A0A077Z7L2_TRITR Loading...

DNA ligase A M domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7L2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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
1M78.3Confident84.3Confident70 Ų7087.9 Ų87.935%0.34547%0.465SS..  0-65.90-164.3178.316100113.4N3 V4 L5 L17 A32 I35 I36M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 2.79Å; M1-V4 PolarHBondContact O-N 2.75Å; M1-L5 HydrophobicContact CE-CD1 3.62Å; M1-L5 HydrophobicContact CG-CD1 3.69Å; M1-L5 HydrophobicContact CG-CG 4.33Å; M1-L5 PolarHBondContact O-N 2.72Å; M1-L17 HydrophobicContact CE-CD1 3.59Å; M1-L17 HydrophobicContact CE-CD2 3.7Å; M1-L17 HydrophobicContact CE-CG 4.25Å; M1-L17 HydrophobicContact CG-CD1 4.24Å; M1-L17 HydrophobicContact SD-CD1 3.77Å; M1-L17 HydrophobicContact SD-CD2 3.56Å; M1-L17 VanDerWaalsContact SD-CD2 3.56Å; M1-L17 HydrophobicContact SD-CG 4.32Å; M1-A32 HydrophobicContact CE-CB 4.07Å; M1-A32 HydrophobicContact SD-CB 3.76Å; M1-I35 HydrophobicContact CE-CB 3.78Å; M1-I35 HydrophobicContact CE-CG2 3.47Å; M1-I35 VanDerWaalsContact CE-CG2 3.47Å; M1-I36 HydrophobicContact CE-CD1 4.45Å; M1-I36 HydrophobicContact CE-CG1 4.04Å
2I83.1Confident84.6Confident25 Ų2586.8 Ų86.813%0.12848%0.478CS..THydrogen-bonded Turntrans-51.9-49.5-178.4-67.4170.6000112.3G6 I7 K9 A14 L17 L18I2-G6 PolarHBondContact O-N 2.93Å; I2-I7 HydrophobicContact CG2-CB 4.29Å; I2-I7 WeakPolarHBondContact CG2-O 3.44Å; I2-I7 PolarHBondContact O-N 3.36Å; I2-K9 HydrophobicContact CG2-CG 4.04Å; I2-A14 HydrophobicContact CD1-CB 3.92Å; I2-A14 HydrophobicContact CG1-CB 4.3Å; I2-L17 HydrophobicContact CG1-CD1 3.96Å; I2-L18 HydrophobicContact CD1-CD1 3.98Å; I2-L18 HydrophobicContact CD1-CD2 4.01Å; I2-L18 HydrophobicContact CD1-CG 3.74Å
3N82.9Confident84.8Confident128 Ų12882.8 Ų82.868%0.68446%0.455SS*.THydrogen-bonded Turntrans-66.7-40.3177.7-63.6-14.4000112.4M1 G6M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 2.79Å; N3-G6 PolarHBondContact O-N 3.36Å
4V82Confident85Confident127 Ų12776.9 Ų76.977%0.7742%0.423SS*.THydrogen-bonded Turntrans-67.5-39.4-176.21780000111.5M1 G6M1-V4 PolarHBondContact O-N 2.75Å; V4-G6 VanDerWaalsContact C-N 3.33Å
5L83.5Confident85.1Confident48 Ų4875.9 Ų75.925%0.25142%0.42SS..THydrogen-bonded Turntrans-88.43.6179.5-64.4177.3000113.3M1 I7 I35 I36 V40M1-L5 HydrophobicContact CE-CD1 3.62Å; M1-L5 HydrophobicContact CG-CD1 3.69Å; M1-L5 HydrophobicContact CG-CG 4.33Å; M1-L5 PolarHBondContact O-N 2.72Å; L5-I7 HydrophobicContact CB-CD1 3.88Å; L5-I7 HydrophobicContact CB-CG1 3.78Å; L5-I7 HydrophobicContact CD1-CD1 3.9Å; L5-I7 PolarHBondContact O-N 2.98Å; L5-I35 HydrophobicContact CD1-CG2 4.43Å; L5-I36 HydrophobicContact CD1-CG1 4.01Å; L5-V40 HydrophobicContact CD2-CG2 4.29Å
6G82.7Confident85.3Confident67 Ų6777.1 Ų77.169%0.69142%0.416SS*.THydrogen-bonded Turntrans60.426.2-177.500000114.4I2 N3 V4 D8I2-G6 PolarHBondContact O-N 2.93Å; N3-G6 PolarHBondContact O-N 3.36Å; V4-G6 VanDerWaalsContact C-N 3.33Å; G6-D8 PolarHBondContact O-N 2.92Å
7I85.7Confident85.3Confident11 Ų1173.1 Ų73.16%0.05639%0.394CS..  trans-72.8129.2-177.3-62.9172.8000109I2 L5 K9 S11 A14 L17 I35I2-I7 HydrophobicContact CG2-CB 4.29Å; I2-I7 WeakPolarHBondContact CG2-O 3.44Å; I2-I7 PolarHBondContact O-N 3.36Å; L5-I7 HydrophobicContact CB-CD1 3.88Å; L5-I7 HydrophobicContact CB-CG1 3.78Å; L5-I7 HydrophobicContact CD1-CD1 3.9Å; L5-I7 PolarHBondContact O-N 2.98Å; I7-K9 PolarHBondContact O-N 2.76Å; I7-S11 WeakPolarHBondContact CG2-OG 3.31Å; I7-A14 HydrophobicContact CG2-CB 3.95Å; I7-L17 HydrophobicContact CD1-CD1 4.28Å; I7-I35 HydrophobicContact CD1-CG2 3.75Å
8D87.3Confident85.4Confident92 Ų9276.1 Ų76.149%0.49241%0.409SS..  trans-57.3124.1171179.81.7000109.3G6 R10 S11 A14G6-D8 PolarHBondContact O-N 2.92Å; D8-R10 PolarHBondContact O-N 3.12Å; D8-R10 PolarHBondContact OD1-N 2.94Å; D8-S11 VanDerWaalsContact O-CB 3.23Å; D8-S11 WeakPolarHBondContact O-CB 3.33Å; D8-S11 PolarHBondContact O-N 2.68Å; D8-S11 PolarHBondContact O-OG 2.78Å; D8-A14 VanDerWaalsContact O-CB 3.3Å; D8-A14 WeakPolarHBondContact O-CB 3.12Å
9K86.5Confident85.4Confident148 Ų14877.9 Ų77.964%0.64341%0.413SS*.THydrogen-bonded Turntrans-57.5-21.2179.6-64.8-176.4179.7179.50112.9I2 I7I2-K9 HydrophobicContact CG2-CG 4.04Å; I7-K9 PolarHBondContact O-N 2.76Å
10R86.7Confident85.3Confident219 Ų21977.3 Ų77.383%0.82641%0.405SS*.THydrogen-bonded Turntrans-90.6-8.1176.3-70.2179.5-88.3-166.4-8.4114.2D8D8-R10 PolarHBondContact O-N 3.12Å; D8-R10 PolarHBondContact OD1-N 2.94Å
11S88.4Confident85.1Confident32 Ų3283.5 Ų83.522%0.22442%0.423CS..SBendtrans-68.1155.618069.40000112.6I7 D8 D13 A14 V15I7-S11 WeakPolarHBondContact CG2-OG 3.31Å; D8-S11 VanDerWaalsContact O-CB 3.23Å; D8-S11 WeakPolarHBondContact O-CB 3.33Å; D8-S11 PolarHBondContact O-N 2.68Å; D8-S11 PolarHBondContact O-OG 2.78Å; S11-D13 PolarHBondContact O-N 2.9Å; S11-A14 PolarHBondContact O-N 2.74Å; S11-A14 PolarHBondContact OG-N 3.34Å; S11-V15 WeakPolarHBondContact O-CG2 3.43Å; S11-V15 PolarHBondContact O-N 3.19Å; S11-V15 VanDerWaalsContact O-N 3.14Å
12A88Confident85.1Confident75 Ų7587 Ų8762%0.6244%0.438SS*.Hα-helixtrans-56.4-38175.800000112.1V15 R16A12-V15 PolarHBondContact O-N 3.14Å; A12-R16 VanDerWaalsContact O-CG 3.26Å; A12-R16 WeakPolarHBondContact O-CG 3.29Å; A12-R16 PolarHBondContact O-N 3.12Å
13D87.9Confident84.5Confident35 Ų3589.3 Ų89.319%0.18745%0.451CS..Hα-helixtrans-68.3-39.8179.3-74.2-19000112.7S11 V15 R16 L17 I35 R39S11-D13 PolarHBondContact O-N 2.9Å; D13-V15 VanDerWaalsContact C-N 3.32Å; D13-V15 PolarHBondContact O-N 3.17Å; D13-R16 PolarHBondContact O-N 3.38Å; D13-R16 IonicContact OD1-NH1 2.86Å; D13-R16 PolarHBondContact OD1-NH1 3.13Å; D13-L17 WeakPolarHBondContact O-CG 3.49Å; D13-L17 PolarHBondContact O-N 3.46Å; D13-I35 HydrophobicContact CB-CD1 4.12Å; D13-I35 HydrophobicContact CB-CG1 4.44Å; D13-I35 HydrophobicContact CB-CG2 4.48Å; D13-R39 IonicContact OD2-CZ 2.75Å; D13-R39 VanDerWaalsContact OD2-CZ 3.24Å; D13-R39 IonicContact OD2-NH1 3.58Å; D13-R39 PolarHBondContact OD2-NH1 3.49Å; D13-R39 IonicContact OD2-NH2 2.72Å; D13-R39 PolarHBondContact OD2-NH2 2.75Å
14A87.5Confident83.6Confident0 Ų093.4 Ų93.40%046%0.463CS..Hα-helixtrans-61.2-42.5173.300000111.6I2 I7 D8 S11 L17 L18I2-A14 HydrophobicContact CD1-CB 3.92Å; I2-A14 HydrophobicContact CG1-CB 4.3Å; I7-A14 HydrophobicContact CG2-CB 3.95Å; D8-A14 VanDerWaalsContact O-CB 3.3Å; D8-A14 WeakPolarHBondContact O-CB 3.12Å; S11-A14 PolarHBondContact O-N 2.74Å; S11-A14 PolarHBondContact OG-N 3.34Å; A14-L17 PolarHBondContact O-N 2.83Å; A14-L18 VanDerWaalsContact O-CG 3.32Å; A14-L18 WeakPolarHBondContact O-CG 3.07Å; A14-L18 PolarHBondContact O-N 2.9Å
15V86.5Confident82.4Confident62 Ų6291.9 Ų91.938%0.37646%0.457SS..Hα-helixtrans-63.8-42177176.60000111.1S11 A12 D13 L17 L18 K19S11-V15 WeakPolarHBondContact O-CG2 3.43Å; S11-V15 PolarHBondContact O-N 3.19Å; S11-V15 VanDerWaalsContact O-N 3.14Å; A12-V15 PolarHBondContact O-N 3.14Å; D13-V15 VanDerWaalsContact C-N 3.32Å; D13-V15 PolarHBondContact O-N 3.17Å; V15-L17 PolarHBondContact O-N 2.91Å; V15-L18 PolarHBondContact O-N 2.89Å; V15-K19 HydrophobicContact CG1-CD 3.99Å; V15-K19 HydrophobicContact CG1-CG 4.48Å; V15-K19 WeakPolarHBondContact O-CB 3.38Å; V15-K19 PolarHBondContact O-N 3.1Å
16R87.3Confident81.5Confident94 Ų9493.8 Ų93.836%0.35547%0.468SS..Hα-helixtrans-61.2-44.3177-7216969.5-159.54.7111.8A12 D13 K19 Y20 L23 L31A12-R16 VanDerWaalsContact O-CG 3.26Å; A12-R16 WeakPolarHBondContact O-CG 3.29Å; A12-R16 PolarHBondContact O-N 3.12Å; D13-R16 PolarHBondContact O-N 3.38Å; D13-R16 IonicContact OD1-NH1 2.86Å; D13-R16 PolarHBondContact OD1-NH1 3.13Å; R16-K19 CarbonylContact O-C 3.56Å; R16-Y20 VanDerWaalsContact O-CA 3.26Å; R16-Y20 WeakPolarHBondContact O-CA 3.43Å; R16-Y20 WeakPolarHBondContact O-CB 3.25Å; R16-Y20 PolarHBondContact O-N 3.41Å; R16-L23 HydrophobicContact CB-CD1 3.88Å; R16-L23 HydrophobicContact CG-CD1 3.9Å; R16-L31 HydrophobicContact CB-CD1 4.32Å; R16-L31 HydrophobicContact CB-CD2 4.33Å; R16-L31 VanDerWaalsContact NH2-CD1 3.35Å; R16-L31 WeakPolarHBondContact O-CD2 3.28Å
17L86.6Confident81.5Confident9 Ų995.1 Ų95.15%0.04746%0.459CS..Hα-helixtrans-63.2-45.2177-71.9169.2000112.3M1 I2 I7 D13 A14 V15 F28 L31 I35M1-L17 HydrophobicContact CE-CD1 3.59Å; M1-L17 HydrophobicContact CE-CD2 3.7Å; M1-L17 HydrophobicContact CE-CG 4.25Å; M1-L17 HydrophobicContact CG-CD1 4.24Å; M1-L17 HydrophobicContact SD-CD1 3.77Å; M1-L17 HydrophobicContact SD-CD2 3.56Å; M1-L17 VanDerWaalsContact SD-CD2 3.56Å; M1-L17 HydrophobicContact SD-CG 4.32Å; I2-L17 HydrophobicContact CG1-CD1 3.96Å; I7-L17 HydrophobicContact CD1-CD1 4.28Å; D13-L17 WeakPolarHBondContact O-CG 3.49Å; D13-L17 PolarHBondContact O-N 3.46Å; A14-L17 PolarHBondContact O-N 2.83Å; V15-L17 PolarHBondContact O-N 2.91Å; L17-F28 HydrophobicContact CD2-CE2 3.93Å; L17-F28 HydrophobicContact CD2-CZ 4.21Å; L17-L31 HydrophobicContact CD2-CD2 4.37Å; L17-L31 HydrophobicContact CD2-CG 4.34Å; L17-I35 HydrophobicContact CD1-CD1 4.05Å; L17-I35 HydrophobicContact CD1-CG2 4.41Å; L17-I35 HydrophobicContact CD2-CD1 3.77Å; L17-I35 HydrophobicContact CG-CD1 3.63Å
18L86.4Confident81.5Confident127 Ų12798.7 Ų98.767%0.66548%0.475SS*.Hα-helixtrans-70.9-32-178.6-69.2171.1000112.8I2 A14 V15I2-L18 HydrophobicContact CD1-CD1 3.98Å; I2-L18 HydrophobicContact CD1-CD2 4.01Å; I2-L18 HydrophobicContact CD1-CG 3.74Å; A14-L18 VanDerWaalsContact O-CG 3.32Å; A14-L18 WeakPolarHBondContact O-CG 3.07Å; A14-L18 PolarHBondContact O-N 2.9Å; V15-L18 PolarHBondContact O-N 2.89Å
19K84.7Confident81.5Confident111 Ų11197.6 Ų97.648%0.48348%0.478SS..THydrogen-bonded Turntrans-108.722.2-177.1-60.6-174.2176.3-1750113.1V15 R16 R21 Q22V15-K19 HydrophobicContact CG1-CD 3.99Å; V15-K19 HydrophobicContact CG1-CG 4.48Å; V15-K19 WeakPolarHBondContact O-CB 3.38Å; V15-K19 PolarHBondContact O-N 3.1Å; R16-K19 CarbonylContact O-C 3.56Å; K19-R21 PolarHBondContact O-N 3.34Å; K19-R21 VanDerWaalsContact O-N 3.09Å; K19-Q22 WeakPolarHBondContact O-CB 3.4Å; K19-Q22 PolarHBondContact O-N 2.89Å
20Y84.1Confident81.5Confident66 Ų6693.3 Ų93.326%0.25947%0.467SS..G310 helixtrans-54.9-36.6-172.888.3-86.7000112.9R16 Q22 L23 F28R16-Y20 VanDerWaalsContact O-CA 3.26Å; R16-Y20 WeakPolarHBondContact O-CA 3.43Å; R16-Y20 WeakPolarHBondContact O-CB 3.25Å; R16-Y20 PolarHBondContact O-N 3.41Å; Y20-Q22 PolarHBondContact O-N 2.71Å; Y20-Q22 VanDerWaalsContact O-N 3.15Å; Y20-L23 WeakPolarHBondContact O-CB 3.42Å; Y20-L23 PolarHBondContact O-N 2.97Å; Y20-L23 VanDerWaalsContact O-O 3.13Å; Y20-F28 HydrophobicContact CD1-CB 4.47Å; Y20-F28 AromaticContact CD1-CD2 3.55Å; Y20-F28 HydrophobicContact CD1-CD2 3.55Å; Y20-F28 HydrophobicContact CD1-CE2 4.26Å; Y20-F28 HydrophobicContact CD1-CG 4.4Å; Y20-F28 HydrophobicContact CD2-CB 3.81Å; Y20-F28 HydrophobicContact CD2-CD2 4.19Å; Y20-F28 HydrophobicContact CE1-CB 4.38Å; Y20-F28 AromaticContact CE1-CD2 3.96Å; Y20-F28 HydrophobicContact CE1-CD2 3.96Å; Y20-F28 HydrophobicContact CE1-CG 4.45Å; Y20-F28 HydrophobicContact CE2-CB 3.72Å; Y20-F28 HydrophobicContact CG-CB 4.2Å; Y20-F28 AromaticContact CG-CD2 3.68Å; Y20-F28 HydrophobicContact CG-CD2 3.68Å; Y20-F28 HydrophobicContact CG-CG 4.42Å
21R80.1Confident81.5Confident207 Ų20783.2 Ų83.278%0.78143%0.429SS*.G310 helixtrans-62.5-21.9177.6-64-173.9179.5177.8-1.4113.9K19K19-R21 PolarHBondContact O-N 3.34Å; K19-R21 VanDerWaalsContact O-N 3.09Å
22Q79.8Confident81.5Confident143 Ų14382.1 Ų82.167%0.66842%0.422SS*.G310 helixtrans-86.4-20.3176.7-58.4178.9-4.600111.7K19 Y20 K24K19-Q22 WeakPolarHBondContact O-CB 3.4Å; K19-Q22 PolarHBondContact O-N 2.89Å; Y20-Q22 PolarHBondContact O-N 2.71Å; Y20-Q22 VanDerWaalsContact O-N 3.15Å; Q22-K24 PolarHBondContact O-N 3.42Å
23L69.7Low81.4Confident74 Ų7480.9 Ų80.939%0.38741%0.409SS..SBendtrans-85.292.4174.4-59.1172000107.2R16 Y20 S25R16-L23 HydrophobicContact CB-CD1 3.88Å; R16-L23 HydrophobicContact CG-CD1 3.9Å; Y20-L23 WeakPolarHBondContact O-CB 3.42Å; Y20-L23 PolarHBondContact O-N 2.97Å; Y20-L23 VanDerWaalsContact O-O 3.13Å; L23-S25 PolarHBondContact O-N 3.34Å
24K63.2Low81.3Confident215 Ų21581.5 Ų81.594%0.93542%0.416SS*.THydrogen-bonded Turntrans-55.3-1.5-175.5-72.2-173.6175-1770116.1Q22Q22-K24 PolarHBondContact O-N 3.42Å
25S58.8Low81.3Confident94 Ų9481.6 Ų81.666%0.65742%0.416SS*.THydrogen-bonded Turntrans-104-21.9-16267.90000116.4L23L23-S25 PolarHBondContact O-N 3.34Å
26N63Low81.3Confident89 Ų8981.9 Ų81.948%0.47642%0.415SS..  trans-144.6145.6-174.5-71.7-31.6000112.3
27D83.2Confident81.2Confident94 Ų9483.9 Ų83.950%0.50343%0.429SS..  trans-63.1159.2164.668.952.7000110.8A29 S30 L31D27-A29 PolarHBondContact O-N 2.86Å; D27-A29 WeakPolarHBondContact OD1-CA 3.31Å; D27-A29 WeakPolarHBondContact OD1-CB 3.49Å; D27-A29 PolarHBondContact OD1-N 3.26Å; D27-S30 PolarHBondContact O-N 2.95Å; D27-S30 WeakPolarHBondContact OD1-CB 3.43Å; D27-S30 PolarHBondContact OD1-N 3.12Å; D27-S30 PolarHBondContact OD1-OG 2.88Å; D27-S30 PolarHBondContact OD2-OG 2.94Å; D27-L31 PolarHBondContact O-N 2.93Å; D27-L31 VanDerWaalsContact O-N 3.16Å
28F86.5Confident81.1Confident87 Ų8787.2 Ų87.238%0.38246%0.458SS..Hα-helixtrans-61.8-35.1-177.2-178.9-98.9000112.1L17 Y20 L31 A32L17-F28 HydrophobicContact CD2-CE2 3.93Å; L17-F28 HydrophobicContact CD2-CZ 4.21Å; Y20-F28 HydrophobicContact CD1-CB 4.47Å; Y20-F28 AromaticContact CD1-CD2 3.55Å; Y20-F28 HydrophobicContact CD1-CD2 3.55Å; Y20-F28 HydrophobicContact CD1-CE2 4.26Å; Y20-F28 HydrophobicContact CD1-CG 4.4Å; Y20-F28 HydrophobicContact CD2-CB 3.81Å; Y20-F28 HydrophobicContact CD2-CD2 4.19Å; Y20-F28 HydrophobicContact CE1-CB 4.38Å; Y20-F28 AromaticContact CE1-CD2 3.96Å; Y20-F28 HydrophobicContact CE1-CD2 3.96Å; Y20-F28 HydrophobicContact CE1-CG 4.45Å; Y20-F28 HydrophobicContact CE2-CB 3.72Å; Y20-F28 HydrophobicContact CG-CB 4.2Å; Y20-F28 AromaticContact CG-CD2 3.68Å; Y20-F28 HydrophobicContact CG-CD2 3.68Å; Y20-F28 HydrophobicContact CG-CG 4.42Å; F28-L31 PolarHBondContact O-N 3.03Å; F28-A32 HydrophobicContact CE1-CB 4.26Å; F28-A32 VanDerWaalsContact O-CB 3.24Å; F28-A32 WeakPolarHBondContact O-CB 3.33Å; F28-A32 PolarHBondContact O-N 2.98Å
29A87.2Confident80.9Confident69 Ų6985.7 Ų85.757%0.5744%0.443SS*.Hα-helixtrans-66.3-46.1-176.100000111.1D27 A32 S33D27-A29 PolarHBondContact O-N 2.86Å; D27-A29 WeakPolarHBondContact OD1-CA 3.31Å; D27-A29 WeakPolarHBondContact OD1-CB 3.49Å; D27-A29 PolarHBondContact OD1-N 3.26Å; A29-A32 PolarHBondContact O-N 3.08Å; A29-S33 WeakPolarHBondContact O-CB 3.44Å; A29-S33 PolarHBondContact O-N 3.45Å
30S85.6Confident80.8Confident58 Ų5884.1 Ų84.141%0.40644%0.442SS..Hα-helixtrans-63.1-43.4176.5-59.60000111.5D27 S33 S34D27-S30 PolarHBondContact O-N 2.95Å; D27-S30 WeakPolarHBondContact OD1-CB 3.43Å; D27-S30 PolarHBondContact OD1-N 3.12Å; D27-S30 PolarHBondContact OD1-OG 2.88Å; D27-S30 PolarHBondContact OD2-OG 2.94Å; S30-S33 PolarHBondContact O-N 2.88Å; S30-S34 PolarHBondContact O-N 3.05Å; S30-S34 VanDerWaalsContact O-N 3.08Å
31L86.8Confident80Confident6 Ų687.2 Ų87.23%0.03147%0.474CS..Hα-helixtrans-61.4-46.9173.5176.364.2000111.5R16 L17 D27 F28 S34 I35R16-L31 HydrophobicContact CB-CD1 4.32Å; R16-L31 HydrophobicContact CB-CD2 4.33Å; R16-L31 VanDerWaalsContact NH2-CD1 3.35Å; R16-L31 WeakPolarHBondContact O-CD2 3.28Å; L17-L31 HydrophobicContact CD2-CD2 4.37Å; L17-L31 HydrophobicContact CD2-CG 4.34Å; D27-L31 PolarHBondContact O-N 2.93Å; D27-L31 VanDerWaalsContact O-N 3.16Å; F28-L31 PolarHBondContact O-N 3.03Å; L31-S34 PolarHBondContact O-N 2.88Å; L31-S34 PolarHBondContact O-OG 2.92Å; L31-I35 HydrophobicContact CD1-CD1 4Å; L31-I35 HydrophobicContact CG-CD1 4.16Å; L31-I35 WeakPolarHBondContact O-CG1 3.42Å; L31-I35 PolarHBondContact O-N 2.92Å
32A87.7Confident79.3Confident10 Ų1079.8 Ų79.88%0.08346%0.461CS..Hα-helixtrans-62.3-44.4178.900000111.5M1 F28 A29 S34 I35 I36M1-A32 HydrophobicContact CE-CB 4.07Å; M1-A32 HydrophobicContact SD-CB 3.76Å; F28-A32 HydrophobicContact CE1-CB 4.26Å; F28-A32 VanDerWaalsContact O-CB 3.24Å; F28-A32 WeakPolarHBondContact O-CB 3.33Å; F28-A32 PolarHBondContact O-N 2.98Å; A29-A32 PolarHBondContact O-N 3.08Å; A32-S34 PolarHBondContact O-N 3.01Å; A32-I35 PolarHBondContact O-N 2.92Å; A32-I35 VanDerWaalsContact O-N 3.16Å; A32-I36 WeakPolarHBondContact O-CD1 3.4Å; A32-I36 VanDerWaalsContact O-CG1 3.24Å; A32-I36 WeakPolarHBondContact O-CG1 3.19Å; A32-I36 PolarHBondContact O-N 2.74Å
33S86.6Confident78.7Confident48 Ų4882 Ų8234%0.33647%0.472SS..Hα-helixtrans-55.8-50.6176.3-158.40000111.1A29 S30 I35 I36 E37A29-S33 WeakPolarHBondContact O-CB 3.44Å; A29-S33 PolarHBondContact O-N 3.45Å; S30-S33 PolarHBondContact O-N 2.88Å; S33-I35 PolarHBondContact O-N 2.98Å; S33-I35 VanDerWaalsContact O-N 3.15Å; S33-I36 PolarHBondContact O-N 2.87Å; S33-E37 WeakPolarHBondContact O-CB 3.23Å; S33-E37 WeakPolarHBondContact O-CG 3.4Å; S33-E37 PolarHBondContact O-N 3.36Å; S33-E37 PolarHBondContact OG-OE1 3.47Å
34S86.3Confident78.7Confident48 Ų4886.1 Ų86.134%0.33649%0.494SS..Hα-helixtrans-59-32.9179.972.70000113.7S30 L31 A32 A38S30-S34 PolarHBondContact O-N 3.05Å; S30-S34 VanDerWaalsContact O-N 3.08Å; L31-S34 PolarHBondContact O-N 2.88Å; L31-S34 PolarHBondContact O-OG 2.92Å; A32-S34 PolarHBondContact O-N 3.01Å; S34-A38 PolarHBondContact O-N 3.46Å
35I86.5Confident79.3Confident2 Ų285 Ų851%0.0149%0.492CS..Hα-helixtrans-79.5-33.3179.4-70.6173.2000111.1M1 L5 I7 D13 L17 L31 A32 S33 R39M1-I35 HydrophobicContact CE-CB 3.78Å; M1-I35 HydrophobicContact CE-CG2 3.47Å; M1-I35 VanDerWaalsContact CE-CG2 3.47Å; L5-I35 HydrophobicContact CD1-CG2 4.43Å; I7-I35 HydrophobicContact CD1-CG2 3.75Å; D13-I35 HydrophobicContact CB-CD1 4.12Å; D13-I35 HydrophobicContact CB-CG1 4.44Å; D13-I35 HydrophobicContact CB-CG2 4.48Å; L17-I35 HydrophobicContact CD1-CD1 4.05Å; L17-I35 HydrophobicContact CD1-CG2 4.41Å; L17-I35 HydrophobicContact CD2-CD1 3.77Å; L17-I35 HydrophobicContact CG-CD1 3.63Å; L31-I35 HydrophobicContact CD1-CD1 4Å; L31-I35 HydrophobicContact CG-CD1 4.16Å; L31-I35 WeakPolarHBondContact O-CG1 3.42Å; L31-I35 PolarHBondContact O-N 2.92Å; A32-I35 PolarHBondContact O-N 2.92Å; A32-I35 VanDerWaalsContact O-N 3.16Å; S33-I35 PolarHBondContact O-N 2.98Å; S33-I35 VanDerWaalsContact O-N 3.15Å; I35-R39 VanDerWaalsContact CG2-NH1 3.32Å; I35-R39 PolarHBondContact O-NH1 2.78Å
36I86.6Confident80.3Confident69 Ų6983.7 Ų83.735%0.35449%0.487SS..Hα-helixtrans-71.4-50.2176.3-69.1164.3000110M1 L5 A32 S33 A38 R39 V40M1-I36 HydrophobicContact CE-CD1 4.45Å; M1-I36 HydrophobicContact CE-CG1 4.04Å; L5-I36 HydrophobicContact CD1-CG1 4.01Å; A32-I36 WeakPolarHBondContact O-CD1 3.4Å; A32-I36 VanDerWaalsContact O-CG1 3.24Å; A32-I36 WeakPolarHBondContact O-CG1 3.19Å; A32-I36 PolarHBondContact O-N 2.74Å; S33-I36 PolarHBondContact O-N 2.87Å; I36-A38 PolarHBondContact O-N 2.81Å; I36-R39 PolarHBondContact O-N 2.77Å; I36-V40 HydrophobicContact CG2-CB 4.25Å; I36-V40 HydrophobicContact CG2-CG2 3.95Å; I36-V40 PolarHBondContact O-N 2.97Å
37E85.4Confident81.4Confident136 Ų13683.1 Ų83.164%0.63649%0.487SS*.Hα-helixtrans-55.4-35.3178.1-74.1164.3-151.600112.2S33 R39S33-E37 WeakPolarHBondContact O-CB 3.23Å; S33-E37 WeakPolarHBondContact O-CG 3.4Å; S33-E37 PolarHBondContact O-N 3.36Å; S33-E37 PolarHBondContact OG-OE1 3.47Å; E37-R39 VanDerWaalsContact C-N 3.26Å; E37-R39 PolarHBondContact O-N 3.38Å
38A85.2Confident81.5Confident79 Ų7985.3 Ų85.365%0.65350%0.497SS*.THydrogen-bonded Turntrans-72.8-13.8177.700000114.4S34 I36S34-A38 PolarHBondContact O-N 3.46Å; I36-A38 PolarHBondContact O-N 2.81Å
39R83Confident81.3Confident95 Ų9587.3 Ų87.336%0.35851%0.507SS..THydrogen-bonded Turntrans-122.6-28.9-171.6-72.7178.2173.974.8-0.2114.1D13 I35 I36 E37D13-R39 IonicContact OD2-CZ 2.75Å; D13-R39 VanDerWaalsContact OD2-CZ 3.24Å; D13-R39 IonicContact OD2-NH1 3.58Å; D13-R39 PolarHBondContact OD2-NH1 3.49Å; D13-R39 IonicContact OD2-NH2 2.72Å; D13-R39 PolarHBondContact OD2-NH2 2.75Å; I35-R39 VanDerWaalsContact CG2-NH1 3.32Å; I35-R39 PolarHBondContact O-NH1 2.78Å; I36-R39 PolarHBondContact O-N 2.77Å; E37-R39 VanDerWaalsContact C-N 3.26Å; E37-R39 PolarHBondContact O-N 3.38Å
40V80.6Confident81.2Confident77 Ų7787.5 Ų87.547%0.46750%0.499SS..  trans-103.9117.8-176.6-176.90000108.1L5 I36L5-V40 HydrophobicContact CD2-CG2 4.29Å; I36-V40 HydrophobicContact CG2-CB 4.25Å; I36-V40 HydrophobicContact CG2-CG2 3.95Å; I36-V40 PolarHBondContact O-N 2.97Å
41S67.3Low81.1Confident132 Ų13288 Ų8892%0.92350%0.5SS*.  trans-113.751.1-178.229.50000111.2
42G66.7Low80.9Confident50 Ų5091.5 Ų91.552%0.51552%0.518SS..  trans-145139.217800000111.4
43Q66.2Low80.6Confident190 Ų19093.2 Ų93.289%0.88853%0.529SS*.  trans-97.882.2164.9-76.2-176.2-30.100107.3
44D70.3Confident80.3Confident160 Ų16094.2 Ų94.286%0.85654%0.536SS*.  trans-80.2119.9165.6-71.8-28.8000107.8A46D44-A46 PolarHBondContact O-N 3.14Å
45E76.2Confident79.9Confident191 Ų19196.2 Ų96.289%0.89354%0.543SS*.  trans-80.8106.1175.4-67.4-174.5172.100109.1
46A78.9Confident79.3Confident68 Ų68101.2 Ų101.256%0.56257%0.57SS**  trans-89134.3166.700000109.4D44 D50 V51D44-A46 PolarHBondContact O-N 3.14Å; A46-D50 HydrophobicContact CB-CB 4.43Å; A46-V51 HydrophobicContact CB-CG2 4.18Å
47T86.3Confident78.8Confident76 Ų76102.1 Ų102.147%0.46658%0.582SS.*  trans-74.5160.7172.271.20000110.4H49 D50 V51T47-H49 PolarHBondContact O-N 3.43Å; T47-H49 PolarHBondContact OG1-N 2.94Å; T47-D50 WeakPolarHBondContact CB-OD2 3.33Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.5Å; T47-D50 PolarHBondContact N-OD2 3.1Å; T47-D50 PolarHBondContact O-N 2.78Å; T47-D50 PolarHBondContact OG1-N 2.81Å; T47-D50 PolarHBondContact OG1-OD1 2.86Å; T47-D50 PolarHBondContact OG1-OD2 2.84Å; T47-V51 PolarHBondContact O-N 3.02Å; T47-V51 VanDerWaalsContact O-N 3.12Å
48I85.1Confident78.2Confident140 Ų140101.1 Ų101.172%0.71858%0.58SS**Hα-helixtrans-54.9-35.2171.9-65.6173.7000110.7N52I48-N52 WeakPolarHBondContact O-CB 3.47Å; I48-N52 PolarHBondContact O-N 3.29Å; I48-N52 PolarHBondContact O-ND2 2.61Å
49H83.6Confident77.2Confident129 Ų12999.7 Ų99.760%0.59757%0.569SS**Hα-helixtrans-63.7-42.9176.6178-82.7000112T47 V51 N52 S53T47-H49 PolarHBondContact O-N 3.43Å; T47-H49 PolarHBondContact OG1-N 2.94Å; H49-V51 VanDerWaalsContact C-N 3.35Å; H49-N52 PolarHBondContact O-N 3.29Å; H49-S53 PolarHBondContact CE1-OG 2.87Å; H49-S53 WeakPolarHBondContact O-CB 3.44Å; H49-S53 PolarHBondContact O-N 2.87Å; H49-S53 PolarHBondContact O-OG 2.91Å
50D83.4Confident76.2Confident73 Ų73104 Ų10439%0.3959%0.592SS.*Hα-helixtrans-66.8-39.5-179.7-55-40.7000111.6A46 T47 S53 S54A46-D50 HydrophobicContact CB-CB 4.43Å; T47-D50 WeakPolarHBondContact CB-OD2 3.33Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.5Å; T47-D50 PolarHBondContact N-OD2 3.1Å; T47-D50 PolarHBondContact O-N 2.78Å; T47-D50 PolarHBondContact OG1-N 2.81Å; T47-D50 PolarHBondContact OG1-OD1 2.86Å; T47-D50 PolarHBondContact OG1-OD2 2.84Å; D50-S53 PolarHBondContact O-N 3.02Å; D50-S54 WeakPolarHBondContact O-CB 3.33Å; D50-S54 PolarHBondContact O-N 2.87Å; D50-S54 PolarHBondContact O-OG 3.06Å
51V84.7Confident74.6Confident70 Ų70102.8 Ų102.842%0.42460%0.596SS.*Hα-helixtrans-63-50.1174.5177.10000110.3A46 T47 H49 S53 S54 L55A46-V51 HydrophobicContact CB-CG2 4.18Å; T47-V51 PolarHBondContact O-N 3.02Å; T47-V51 VanDerWaalsContact O-N 3.12Å; H49-V51 VanDerWaalsContact C-N 3.35Å; V51-S53 PolarHBondContact O-N 2.85Å; V51-S54 WeakPolarHBondContact O-CB 3.45Å; V51-S54 PolarHBondContact O-N 2.87Å; V51-L55 HydrophobicContact CG1-CD1 4.03Å; V51-L55 HydrophobicContact CG1-CG 4.35Å; V51-L55 WeakPolarHBondContact O-CG 3.29Å; V51-L55 PolarHBondContact O-N 3.4Å
52N83.3Confident73.7Confident79 Ų79105.5 Ų105.542%0.42259%0.587SS.*Hα-helixtrans-61.7-42.2178.4-75.6-28000112.1I48 H49 S54 L55 D56I48-N52 WeakPolarHBondContact O-CB 3.47Å; I48-N52 PolarHBondContact O-N 3.29Å; I48-N52 PolarHBondContact O-ND2 2.61Å; H49-N52 PolarHBondContact O-N 3.29Å; N52-S54 VanDerWaalsContact C-N 3.26Å; N52-S54 PolarHBondContact O-N 3.1Å; N52-L55 CarbonylContact O-C 3.59Å; N52-L55 PolarHBondContact O-N 2.84Å; N52-L55 VanDerWaalsContact O-N 3.11Å; N52-D56 WeakPolarHBondContact O-CB 3.39Å; N52-D56 VanDerWaalsContact O-CG 3.27Å; N52-D56 PolarHBondContact O-N 2.91Å
53S81.4Confident72.7Confident45 Ų45110.5 Ų110.532%0.31560%0.602SS.*Hα-helixtrans-59.6-39176.5-55.90000112H49 D50 V51 S57H49-S53 PolarHBondContact CE1-OG 2.87Å; H49-S53 WeakPolarHBondContact O-CB 3.44Å; H49-S53 PolarHBondContact O-N 2.87Å; H49-S53 PolarHBondContact O-OG 2.91Å; D50-S53 PolarHBondContact O-N 3.02Å; V51-S53 PolarHBondContact O-N 2.85Å; S53-S57 PolarHBondContact O-N 3.23Å; S53-S57 VanDerWaalsContact O-N 3.14Å; S53-S57 PolarHBondContact O-OG 3.1Å
54S78.6Confident71.8Confident69 Ų69109.2 Ų109.248%0.48360%0.601SS.*Hα-helixtrans-70.1-40.3175.8-57.70000111.7D50 V51 N52 S57 I58D50-S54 WeakPolarHBondContact O-CB 3.33Å; D50-S54 PolarHBondContact O-N 2.87Å; D50-S54 PolarHBondContact O-OG 3.06Å; V51-S54 WeakPolarHBondContact O-CB 3.45Å; V51-S54 PolarHBondContact O-N 2.87Å; N52-S54 VanDerWaalsContact C-N 3.26Å; N52-S54 PolarHBondContact O-N 3.1Å; S54-S57 WeakPolarHBondContact O-CB 3.43Å; S54-S57 PolarHBondContact O-N 3.21Å; S54-I58 WeakPolarHBondContact O-CD1 3.46Å; S54-I58 VanDerWaalsContact O-CG1 3.29Å; S54-I58 WeakPolarHBondContact O-CG1 3.44Å; S54-I58 PolarHBondContact O-N 3.48Å; S54-I58 VanDerWaalsContact O-N 3.15Å
55L78.6Confident70.3Confident91 Ų91109 Ų10948%0.47659%0.593SS.*Hα-helixtrans-64.7-42175.7-71.4175000111.5V51 N52 S57 I58 A59V51-L55 HydrophobicContact CG1-CD1 4.03Å; V51-L55 HydrophobicContact CG1-CG 4.35Å; V51-L55 WeakPolarHBondContact O-CG 3.29Å; V51-L55 PolarHBondContact O-N 3.4Å; N52-L55 CarbonylContact O-C 3.59Å; N52-L55 PolarHBondContact O-N 2.84Å; N52-L55 VanDerWaalsContact O-N 3.11Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 2.86Å; L55-I58 CarbonylContact O-C 3.57Å; L55-I58 PolarHBondContact O-N 2.8Å; L55-I58 VanDerWaalsContact O-N 3.07Å; L55-A59 WeakPolarHBondContact O-CB 3.42Å; L55-A59 PolarHBondContact O-N 3.33Å
56D74.7Confident68.7Low106 Ų106105.7 Ų105.757%0.56759%0.589SS**Hα-helixtrans-60.1-44.4175.9-70.4-21000110.5N52 I58 A59 E60N52-D56 WeakPolarHBondContact O-CB 3.39Å; N52-D56 VanDerWaalsContact O-CG 3.27Å; N52-D56 PolarHBondContact O-N 2.91Å; D56-I58 PolarHBondContact O-N 2.77Å; D56-A59 PolarHBondContact O-N 3.38Å; D56-A59 VanDerWaalsContact O-N 3.16Å; D56-E60 PolarHBondContact O-N 3.1Å
57S75.3Confident67.1Low88 Ų88109.7 Ų109.762%0.61560%0.601SS**Hα-helixtrans-61.2-27.5175.3-56.80000113.4S53 S54 L55S53-S57 PolarHBondContact O-N 3.23Å; S53-S57 VanDerWaalsContact O-N 3.14Å; S53-S57 PolarHBondContact O-OG 3.1Å; S54-S57 WeakPolarHBondContact O-CB 3.43Å; S54-S57 PolarHBondContact O-N 3.21Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 2.86Å
58I72.1Confident65.6Low115 Ų115110.5 Ų110.559%0.5961%0.609SS**Hα-helixtrans-85.3-40175.4-65.5163.4000110.7S54 L55 D56 E60 G61S54-I58 WeakPolarHBondContact O-CD1 3.46Å; S54-I58 VanDerWaalsContact O-CG1 3.29Å; S54-I58 WeakPolarHBondContact O-CG1 3.44Å; S54-I58 PolarHBondContact O-N 3.48Å; S54-I58 VanDerWaalsContact O-N 3.15Å; L55-I58 CarbonylContact O-C 3.57Å; L55-I58 PolarHBondContact O-N 2.8Å; L55-I58 VanDerWaalsContact O-N 3.07Å; D56-I58 PolarHBondContact O-N 2.77Å; I58-E60 VanDerWaalsContact C-N 3.31Å; I58-E60 PolarHBondContact O-N 3.3Å; I58-G61 PolarHBondContact O-N 3.32Å
59A66Low64.7Low50 Ų50105.3 Ų105.341%0.41359%0.585SS.*Hα-helixtrans-70.1-26-174.400000112.6L55 D56 G61 Y62L55-A59 WeakPolarHBondContact O-CB 3.42Å; L55-A59 PolarHBondContact O-N 3.33Å; D56-A59 PolarHBondContact O-N 3.38Å; D56-A59 VanDerWaalsContact O-N 3.16Å; A59-G61 PolarHBondContact O-N 2.89Å; A59-Y62 PolarHBondContact O-N 3.36Å
60E60.5Low64.1Low184 Ų184101.7 Ų101.786%0.8657%0.57SS**THydrogen-bonded Turntrans-51.8-14.8165.9-76.8-175.2174.100112.8D56 I58D56-E60 PolarHBondContact O-N 3.1Å; I58-E60 VanDerWaalsContact C-N 3.31Å; I58-E60 PolarHBondContact O-N 3.3Å
61G48.4Very low63.4Low52 Ų52102.5 Ų102.554%0.53658%0.578SS.*THydrogen-bonded Turntrans-103.8-13.4171.600000118I58 A59I58-G61 PolarHBondContact O-N 3.32Å; A59-G61 PolarHBondContact O-N 2.89Å
62Y47.3Very low62.9Low190 Ų190104.6 Ų104.675%0.74559%0.585SS**  trans-157125.5-171.3-75.5-83.3000114.7A59A59-Y62 PolarHBondContact O-N 3.36Å
63N46.4Very low62.7Low154 Ų154101.2 Ų101.282%0.82457%0.567SS**  trans-101.5113.1167.4-83.2-38000110.4
64N46Very low62.5Low163 Ų163104.8 Ų104.887%0.87258%0.577SS**  trans-152.1141.1165.2-92.8-37.2000113.7
65K40.6Very low62.5Low156 Ų156109.1 Ų109.168%0.67859%0.592SS**  trans-64.8145.8-174.9-65.4169.6173.3176.90114.2N163K65-N163 PolarHBondContact NZ-ND2 3Å; K65-N163 PolarHBondContact NZ-OD1 3.12Å
66C42.6Very low62.5Low122 Ų122109.2 Ų109.282%0.82459%0.586SS**  trans-157.3150.2151.7-143.20000115.4
67L45.2Very low63Low152 Ų152104.3 Ų104.380%0.79656%0.56SS**SBendtrans68.6141.3172.9-66.2162.9000118.7S69L67-S69 PolarHBondContact O-N 3.14Å
68S53.6Low63.4Low93 Ų93104.4 Ų104.465%0.6556%0.559SS**  trans-69100.4-177.360.20000110.8D70S68-D70 PolarHBondContact O-N 3.33Å
69S67Low64Low30 Ų30101 Ų10121%0.2154%0.542CS..Hα-helixtrans-59.2-27.8-173.760.80000114.5L67 T71 I72 L73 R116L67-S69 PolarHBondContact O-N 3.14Å; S69-T71 PolarHBondContact O-N 3.39Å; S69-I72 PolarHBondContact O-N 3.26Å; S69-L73 VanDerWaalsContact O-CG 3.26Å; S69-L73 WeakPolarHBondContact O-CG 3.38Å; S69-L73 PolarHBondContact O-N 2.93Å; S69-R116 PolarHBondContact OG-NH2 3.46Å
70D71.1Confident64.9Low54 Ų5498.6 Ų98.629%0.28952%0.522SS..Hα-helixtrans-68.2-38.5-164.6-168.844.5000114.1S68 L73 K74 S81S68-D70 PolarHBondContact O-N 3.33Å; D70-L73 PolarHBondContact O-N 3.31Å; D70-K74 WeakPolarHBondContact O-CB 3.4Å; D70-K74 WeakPolarHBondContact O-CG 3.31Å; D70-K74 PolarHBondContact O-N 2.9Å; D70-K74 WeakPolarHBondContact OD1-CE 3.46Å; D70-K74 IonicContact OD1-NZ 3.24Å; D70-K74 VanDerWaalsContact OD2-CE 3.3Å; D70-K74 WeakPolarHBondContact OD2-CE 3.4Å; D70-K74 IonicContact OD2-NZ 2.7Å; D70-K74 PolarHBondContact OD2-NZ 3.09Å; D70-S81 WeakPolarHBondContact OD1-CB 3.23Å; D70-S81 PolarHBondContact OD1-OG 3.18Å
71T67.9Low66Low89 Ų8990.5 Ų90.555%0.54649%0.486SS..Hα-helixtrans-64.7-42.3176.1-53.30000111.5S69 K74 M75S69-T71 PolarHBondContact O-N 3.39Å; T71-K74 PolarHBondContact O-N 2.91Å; T71-M75 HydrophobicContact CG2-SD 4.38Å; T71-M75 WeakPolarHBondContact O-CG 3.32Å; T71-M75 PolarHBondContact O-N 3.06Å; T71-M75 VanDerWaalsContact O-N 3.08Å
72I74Confident67.6Low114 Ų11493 Ų9359%0.58548%0.483SS*.Hα-helixtrans-66.9-44.9-179.8-62.6172.3000110S69 K74 M75 Y76S69-I72 PolarHBondContact O-N 3.26Å; I72-K74 PolarHBondContact O-N 3.03Å; I72-M75 PolarHBondContact O-N 3.35Å; I72-Y76 PolarHBondContact O-N 3.05Å
73L79.5Confident69.4Low8 Ų884 Ų844%0.04245%0.448CS..Hα-helixtrans-60.1-45.5178-70.3167000111.2S69 D70 M75 Y76 H77 A80 Y84 L90 V93S69-L73 VanDerWaalsContact O-CG 3.26Å; S69-L73 WeakPolarHBondContact O-CG 3.38Å; S69-L73 PolarHBondContact O-N 2.93Å; D70-L73 PolarHBondContact O-N 3.31Å; L73-M75 VanDerWaalsContact C-N 3.28Å; L73-M75 PolarHBondContact O-N 2.76Å; L73-Y76 WeakPolarHBondContact O-CB 3.44Å; L73-Y76 PolarHBondContact O-N 2.88Å; L73-H77 PolarHBondContact O-N 2.84Å; L73-A80 HydrophobicContact CB-CB 4.05Å; L73-A80 HydrophobicContact CD2-CB 4.02Å; L73-A80 WeakPolarHBondContact O-CB 3.48Å; L73-Y84 HydrophobicContact CD1-CD1 3.9Å; L73-Y84 HydrophobicContact CD1-CG 3.8Å; L73-L90 HydrophobicContact CD2-CD2 3.82Å; L73-V93 HydrophobicContact CD2-CG1 4.35Å
74K77.8Confident71.3Confident121 Ų12178.8 Ų78.853%0.52642%0.417SS..Hα-helixtrans-65.2-28.3177.5-74.1171.2177.4166.50113.8D70 T71 I72D70-K74 WeakPolarHBondContact O-CB 3.4Å; D70-K74 WeakPolarHBondContact O-CG 3.31Å; D70-K74 PolarHBondContact O-N 2.9Å; D70-K74 WeakPolarHBondContact OD1-CE 3.46Å; D70-K74 IonicContact OD1-NZ 3.24Å; D70-K74 VanDerWaalsContact OD2-CE 3.3Å; D70-K74 WeakPolarHBondContact OD2-CE 3.4Å; D70-K74 IonicContact OD2-NZ 2.7Å; D70-K74 PolarHBondContact OD2-NZ 3.09Å; T71-K74 PolarHBondContact O-N 2.91Å; I72-K74 PolarHBondContact O-N 3.03Å
75M77.8Confident73.1Confident160 Ų16071.6 Ų71.679%0.78838%0.379SS*.Hα-helixtrans-75.5-30.3171.9-72.2178.268.200112.5T71 I72 L73T71-M75 HydrophobicContact CG2-SD 4.38Å; T71-M75 WeakPolarHBondContact O-CG 3.32Å; T71-M75 PolarHBondContact O-N 3.06Å; T71-M75 VanDerWaalsContact O-N 3.08Å; I72-M75 PolarHBondContact O-N 3.35Å; L73-M75 VanDerWaalsContact C-N 3.28Å; L73-M75 PolarHBondContact O-N 2.76Å
76Y79.2Confident75.2Confident92 Ų9264.7 Ų64.736%0.36135%0.35SS..Hα-helixtrans-74.3-51.9178.1176.5-108.2000112.3I72 L73 A80 V93 C94 L97I72-Y76 PolarHBondContact O-N 3.05Å; L73-Y76 WeakPolarHBondContact O-CB 3.44Å; L73-Y76 PolarHBondContact O-N 2.88Å; Y76-A80 HydrophobicContact CD1-CB 4.02Å; Y76-V93 HydrophobicContact CD1-CG1 4.27Å; Y76-V93 HydrophobicContact CE1-CG1 4.12Å; Y76-C94 WeakPolarHBondContact OH-CA 3.29Å; Y76-L97 HydrophobicContact CE1-CB 4.31Å; Y76-L97 WeakPolarHBondContact CE1-O 3.5Å; Y76-L97 PolarHBondContact OH-O 3.48Å
77H84.2Confident77.2Confident3 Ų359.7 Ų59.71%0.01432%0.316CS..  trans-157.1141.4-179.4-165.3-85.4000110.6L73 D79 A80 L97 N99 A102L73-H77 PolarHBondContact O-N 2.84Å; H77-D79 IonicContact CE1-OD2 2.69Å; H77-D79 PolarHBondContact ND1-N 2.92Å; H77-D79 PolarHBondContact O-N 3.31Å; H77-A80 HydrophobicContact CB-CB 3.85Å; H77-A80 WeakPolarHBondContact O-CB 3.34Å; H77-A80 PolarHBondContact O-N 2.85Å; H77-A80 VanDerWaalsContact O-N 3.1Å; H77-L97 HydrophobicContact CB-CB 4.32Å; H77-L97 HydrophobicContact CB-CD1 4.14Å; H77-N99 PolarHBondContact CD2-O 2.89Å; H77-N99 VanDerWaalsContact CD2-O 3.27Å; H77-N99 PolarHBondContact NE2-O 3.33Å; H77-A102 PolarHBondContact CE1-O 2.87Å; H77-A102 PolarHBondContact NE2-O 3.24Å
78P84.3Confident79Confident90 Ų9054.2 Ų54.258%0.58429%0.287SS*.THydrogen-bonded Turntrans-54.1-39.9177.619.8-32.7000113.3
79D84.6Confident80.5Confident44 Ų4451.2 Ų51.224%0.23527%0.266CS..THydrogen-bonded Turntrans-86.4-5.4-178.5-58-12.9000114.4H77 S81 Q82 L83 L97 V104H77-D79 IonicContact CE1-OD2 2.69Å; H77-D79 PolarHBondContact ND1-N 2.92Å; H77-D79 PolarHBondContact O-N 3.31Å; D79-S81 VanDerWaalsContact C-N 3.32Å; D79-S81 PolarHBondContact O-N 3.5Å; D79-Q82 PolarHBondContact O-N 3.41Å; D79-L83 PolarHBondContact O-N 2.89Å; D79-L97 HydrophobicContact CB-CD1 4.02Å; D79-L97 HydrophobicContact CB-CD2 4.41Å; D79-V104 PolarHBondContact OD2-N 2.98Å
80A85.2Confident81.4Confident0 Ų054.6 Ų54.60%028%0.281CS..Hα-helixtrans-64.7-34.6-171.800000113.4L73 Y76 H77 Y84 V93 L97L73-A80 HydrophobicContact CB-CB 4.05Å; L73-A80 HydrophobicContact CD2-CB 4.02Å; L73-A80 WeakPolarHBondContact O-CB 3.48Å; Y76-A80 HydrophobicContact CD1-CB 4.02Å; H77-A80 HydrophobicContact CB-CB 3.85Å; H77-A80 WeakPolarHBondContact O-CB 3.34Å; H77-A80 PolarHBondContact O-N 2.85Å; H77-A80 VanDerWaalsContact O-N 3.1Å; A80-Y84 WeakPolarHBondContact O-CB 3.33Å; A80-Y84 PolarHBondContact O-N 3.07Å; A80-V93 HydrophobicContact CB-CG1 3.68Å; A80-L97 HydrophobicContact CB-CD1 4.16Å
81S83.5Confident82.1Confident14 Ų1458.8 Ų58.810%0.09830%0.297CS..Hα-helixtrans-63.2-50.9177.2-174.10000110.7D70 D79 L83 Y84 D85D70-S81 WeakPolarHBondContact OD1-CB 3.23Å; D70-S81 PolarHBondContact OD1-OG 3.18Å; D79-S81 VanDerWaalsContact C-N 3.32Å; D79-S81 PolarHBondContact O-N 3.5Å; S81-L83 PolarHBondContact O-N 3.47Å; S81-Y84 WeakPolarHBondContact O-CB 3.49Å; S81-Y84 PolarHBondContact O-N 3.26Å; S81-Y84 VanDerWaalsContact O-N 3.15Å; S81-D85 PolarHBondContact O-N 3.36Å
82Q82.7Confident83Confident104 Ų10457.1 Ų57.149%0.48628%0.284SS..Hα-helixtrans-62.3-41.4179.8-167.9-175.14.800112.7D79 D85 V107D79-Q82 PolarHBondContact O-N 3.41Å; Q82-D85 PolarHBondContact O-N 3.14Å; Q82-V107 HydrophobicContact CG-CG2 4.03Å
83L84.9Confident83.6Confident2 Ų251.7 Ų51.71%0.0126%0.257CS..Hα-helixtrans-68.6-38.3176.7-178.962000111.6D79 S81 D85 V86 T87 V93 R96 L97 V104D79-L83 PolarHBondContact O-N 2.89Å; S81-L83 PolarHBondContact O-N 3.47Å; L83-D85 VanDerWaalsContact C-N 3.31Å; L83-D85 PolarHBondContact O-N 3.36Å; L83-V86 HydrophobicContact CD1-CG2 4.38Å; L83-V86 WeakPolarHBondContact O-CG2 3.08Å; L83-V86 PolarHBondContact O-N 2.82Å; L83-T87 HydrophobicContact CD1-CG2 3.85Å; L83-T87 HydrophobicContact CG-CG2 4.39Å; L83-T87 WeakPolarHBondContact O-CB 3.46Å; L83-T87 WeakPolarHBondContact O-CG2 3.33Å; L83-T87 PolarHBondContact O-N 2.8Å; L83-T87 VanDerWaalsContact O-N 3.17Å; L83-T87 PolarHBondContact O-OG1 2.81Å; L83-V93 HydrophobicContact CB-CG2 4.23Å; L83-V93 HydrophobicContact CD2-CB 4.38Å; L83-V93 HydrophobicContact CD2-CG2 4.1Å; L83-V93 HydrophobicContact CG-CG2 3.97Å; L83-R96 HydrophobicContact CD2-CB 3.81Å; L83-L97 HydrophobicContact CB-CD1 4.41Å; L83-L97 HydrophobicContact CD2-CD1 3.95Å; L83-L97 HydrophobicContact CD2-CG 4.1Å; L83-V104 HydrophobicContact CD2-CG2 4.13Å
84Y86.3Confident84Confident43 Ų4354.3 Ų54.317%0.16928%0.275CS..Hα-helixtrans-63.7-38.8175.2-174.8-100.3000111.6L73 A80 S81 V86 T87 L88 L90 V93L73-Y84 HydrophobicContact CD1-CD1 3.9Å; L73-Y84 HydrophobicContact CD1-CG 3.8Å; A80-Y84 WeakPolarHBondContact O-CB 3.33Å; A80-Y84 PolarHBondContact O-N 3.07Å; S81-Y84 WeakPolarHBondContact O-CB 3.49Å; S81-Y84 PolarHBondContact O-N 3.26Å; S81-Y84 VanDerWaalsContact O-N 3.15Å; Y84-V86 PolarHBondContact O-N 2.73Å; Y84-T87 PolarHBondContact O-N 2.67Å; Y84-L88 HydrophobicContact CD1-CD2 4.49Å; Y84-L88 HydrophobicContact CE1-CD2 3.93Å; Y84-L88 VanDerWaalsContact O-CA 3.28Å; Y84-L88 WeakPolarHBondContact O-CA 3.31Å; Y84-L88 PolarHBondContact O-N 2.84Å; Y84-L90 HydrophobicContact CD2-CD2 3.75Å; Y84-L90 HydrophobicContact CD2-CG 4.27Å; Y84-L90 HydrophobicContact CE2-CD2 3.73Å; Y84-L90 HydrophobicContact CE2-CG 3.85Å; Y84-V93 HydrophobicContact CD2-CG2 4.31Å
85D83.8Confident84.5Confident12 Ų1253.9 Ų53.96%0.06428%0.275CS..Hα-helixtrans-61.8-29.1-178.8-65.8-26.5000113S81 Q82 L83 F115 R116 D305S81-D85 PolarHBondContact O-N 3.36Å; Q82-D85 PolarHBondContact O-N 3.14Å; L83-D85 VanDerWaalsContact C-N 3.31Å; L83-D85 PolarHBondContact O-N 3.36Å; D85-F115 CarbonylContact O-C 3.57Å; D85-R116 HydrophobicContact CB-CB 4.45Å; D85-R116 PolarHBondContact O-N 3.1Å; D85-R116 VanDerWaalsContact OD1-CD 3.3Å; D85-R116 WeakPolarHBondContact OD1-CD 3.3Å; D85-R116 IonicContact OD1-CZ 2.73Å; D85-R116 IonicContact OD1-NE 3.69Å; D85-R116 IonicContact OD1-NH1 3.75Å; D85-R116 PolarHBondContact OD1-NH1 3.04Å; D85-D305 HydrophobicContact CB-CB 4.15Å
86V83.7Confident84.9Confident11 Ų1152 Ų527%0.06726%0.259CS..Hα-helixtrans-98-17.3178.4-58.80000115.2L83 Y84 V107 L109 F115 S304L83-V86 HydrophobicContact CD1-CG2 4.38Å; L83-V86 WeakPolarHBondContact O-CG2 3.08Å; L83-V86 PolarHBondContact O-N 2.82Å; Y84-V86 PolarHBondContact O-N 2.73Å; V86-V107 HydrophobicContact CB-CG1 3.63Å; V86-V107 HydrophobicContact CG1-CG1 3.27Å; V86-V107 HydrophobicContact CG2-CB 4.45Å; V86-V107 HydrophobicContact CG2-CG1 3.01Å; V86-L109 HydrophobicContact CB-CD2 4.43Å; V86-L109 HydrophobicContact CG1-CD2 4.41Å; V86-F115 HydrophobicContact CB-CB 4.48Å; V86-F115 WeakPolarHBondContact O-CB 3.15Å; V86-S304 WeakPolarHBondContact CG1-OG 3.45Å
87T84Confident85.3Confident18 Ų1847.7 Ų47.711%0.1124%0.242CC..Hα-helixtrans-108.1-24.6-176.3590000112.8L83 Y84 S89 L92L83-T87 HydrophobicContact CD1-CG2 3.85Å; L83-T87 HydrophobicContact CG-CG2 4.39Å; L83-T87 WeakPolarHBondContact O-CB 3.46Å; L83-T87 WeakPolarHBondContact O-CG2 3.33Å; L83-T87 PolarHBondContact O-N 2.8Å; L83-T87 VanDerWaalsContact O-N 3.17Å; L83-T87 PolarHBondContact O-OG1 2.81Å; Y84-T87 PolarHBondContact O-N 2.67Å; T87-S89 PolarHBondContact O-N 2.81Å; T87-S89 PolarHBondContact OG1-N 2.8Å; T87-L92 HydrophobicContact CG2-CB 4.37Å; T87-L92 HydrophobicContact CG2-CD1 4.04Å
88L84.6Confident85.4Confident36 Ų3651.5 Ų51.519%0.18827%0.267CS..  trans46.131.4-167.9-71174.6000113Y84 P114 R116Y84-L88 HydrophobicContact CD1-CD2 4.49Å; Y84-L88 HydrophobicContact CE1-CD2 3.93Å; Y84-L88 VanDerWaalsContact O-CA 3.28Å; Y84-L88 WeakPolarHBondContact O-CA 3.31Å; Y84-L88 PolarHBondContact O-N 2.84Å; L88-P114 HydrophobicContact CD1-CB 3.88Å; L88-P114 HydrophobicContact CD1-CG 4.08Å; L88-R116 HydrophobicContact CD2-CG 3.58Å; L88-R116 HydrophobicContact CG-CG 4.36Å
89S84.6Confident85.3Confident31 Ų3151.2 Ų51.222%0.21726%0.261CS..  trans-134.2108.1-171.7176.50000111T87 K91 L92 V93T87-S89 PolarHBondContact O-N 2.81Å; T87-S89 PolarHBondContact OG1-N 2.8Å; S89-K91 PolarHBondContact O-N 2.98Å; S89-L92 PolarHBondContact O-N 3.25Å; S89-L92 PolarHBondContact OG-N 3.19Å; S89-V93 WeakPolarHBondContact O-CG2 3.39Å; S89-V93 PolarHBondContact O-N 2.76Å; S89-V93 VanDerWaalsContact O-N 3.08Å
90L86.6Confident85.3Confident100 Ų10055 Ų5552%0.52428%0.28SS..Hα-helixtrans-61.1-34.2173.2-66.8176.8000111.6L73 Y84 V93 C94L73-L90 HydrophobicContact CD2-CD2 3.82Å; Y84-L90 HydrophobicContact CD2-CD2 3.75Å; Y84-L90 HydrophobicContact CD2-CG 4.27Å; Y84-L90 HydrophobicContact CE2-CD2 3.73Å; Y84-L90 HydrophobicContact CE2-CG 3.85Å; L90-V93 WeakPolarHBondContact O-CB 3.31Å; L90-V93 PolarHBondContact O-N 3.17Å; L90-C94 PolarHBondContact O-N 3.48Å; L90-C94 PolarHBondContact O-SG 2.78Å; L90-C94 VanDerWaalsContact O-SG 3.33Å
91K85.8Confident85.1Confident143 Ų14362.3 Ų62.362%0.62232%0.319SS*.Hα-helixtrans-58.2-51.1175.5177175.9175.4175.70111.3S89 V93 C94 E95S89-K91 PolarHBondContact O-N 2.98Å; K91-V93 VanDerWaalsContact C-N 3.29Å; K91-V93 PolarHBondContact O-N 3.18Å; K91-C94 PolarHBondContact O-N 2.82Å; K91-E95 WeakPolarHBondContact CE-OE1 3.49Å; K91-E95 HydrophobicContact CG-CG 4.39Å; K91-E95 IonicContact NZ-OE1 3.05Å; K91-E95 WeakPolarHBondContact O-CB 3.07Å; K91-E95 VanDerWaalsContact O-CG 3.31Å; K91-E95 WeakPolarHBondContact O-CG 3.41Å; K91-E95 PolarHBondContact O-N 3.39Å
92L85.5Confident84.9Confident53 Ų5362.8 Ų62.828%0.27732%0.324SS..Hα-helixtrans-65.5-35179.4-73.2174000111.8T87 S89 E95 R96T87-L92 HydrophobicContact CG2-CB 4.37Å; T87-L92 HydrophobicContact CG2-CD1 4.04Å; S89-L92 PolarHBondContact O-N 3.25Å; S89-L92 PolarHBondContact OG-N 3.19Å; L92-E95 PolarHBondContact O-N 2.83Å; L92-R96 WeakPolarHBondContact O-CB 3.44Å; L92-R96 WeakPolarHBondContact O-CG 3.42Å; L92-R96 PolarHBondContact O-N 2.91Å
93V86.4Confident84.6Confident1 Ų161.5 Ų61.51%0.00633%0.326CS..Hα-helixtrans-60-50.8172.8171.90000110.6L73 Y76 A80 L83 Y84 S89 L90 K91 E95 R96 L97L73-V93 HydrophobicContact CD2-CG1 4.35Å; Y76-V93 HydrophobicContact CD1-CG1 4.27Å; Y76-V93 HydrophobicContact CE1-CG1 4.12Å; A80-V93 HydrophobicContact CB-CG1 3.68Å; L83-V93 HydrophobicContact CB-CG2 4.23Å; L83-V93 HydrophobicContact CD2-CB 4.38Å; L83-V93 HydrophobicContact CD2-CG2 4.1Å; L83-V93 HydrophobicContact CG-CG2 3.97Å; Y84-V93 HydrophobicContact CD2-CG2 4.31Å; S89-V93 WeakPolarHBondContact O-CG2 3.39Å; S89-V93 PolarHBondContact O-N 2.76Å; S89-V93 VanDerWaalsContact O-N 3.08Å; L90-V93 WeakPolarHBondContact O-CB 3.31Å; L90-V93 PolarHBondContact O-N 3.17Å; K91-V93 VanDerWaalsContact C-N 3.29Å; K91-V93 PolarHBondContact O-N 3.18Å; V93-E95 PolarHBondContact O-N 3.03Å; V93-R96 PolarHBondContact O-N 2.8Å; V93-L97 HydrophobicContact CG1-CD1 4.39Å; V93-L97 VanDerWaalsContact O-CB 3.3Å; V93-L97 WeakPolarHBondContact O-CB 3.11Å; V93-L97 PolarHBondContact O-N 2.8Å
94C87.7Confident83.9Confident63 Ų6362.6 Ų62.643%0.42633%0.333SS..Hα-helixtrans-67-34.7179.8-65.90000113.6Y76 L90 K91Y76-C94 WeakPolarHBondContact OH-CA 3.29Å; L90-C94 PolarHBondContact O-N 3.48Å; L90-C94 PolarHBondContact O-SG 2.78Å; L90-C94 VanDerWaalsContact O-SG 3.33Å; K91-C94 PolarHBondContact O-N 2.82Å
95E88.6Confident83Confident112 Ų11267.5 Ų67.552%0.52336%0.362SS..Hα-helixtrans-70.2-40.3177.8-75.3173.2168.300112.4K91 L92 V93K91-E95 WeakPolarHBondContact CE-OE1 3.49Å; K91-E95 HydrophobicContact CG-CG 4.39Å; K91-E95 IonicContact NZ-OE1 3.05Å; K91-E95 WeakPolarHBondContact O-CB 3.07Å; K91-E95 VanDerWaalsContact O-CG 3.31Å; K91-E95 WeakPolarHBondContact O-CG 3.41Å; K91-E95 PolarHBondContact O-N 3.39Å; L92-E95 PolarHBondContact O-N 2.83Å; V93-E95 PolarHBondContact O-N 3.03Å
96R86.4Confident82.1Confident121 Ų12171.2 Ų71.246%0.45739%0.386SS..Hα-helixtrans-86.4-26.3-178.3-68.7-171.3175.7-165-0.5113.6L83 L92 V93 P98L83-R96 HydrophobicContact CD2-CB 3.81Å; L92-R96 WeakPolarHBondContact O-CB 3.44Å; L92-R96 WeakPolarHBondContact O-CG 3.42Å; L92-R96 PolarHBondContact O-N 2.91Å; V93-R96 PolarHBondContact O-N 2.8Å; R96-P98 VanDerWaalsContact O-CD 3.25Å; R96-P98 WeakPolarHBondContact O-CD 3.31Å
97L87.7Confident81.5Confident1 Ų172 Ų721%0.00539%0.39CS..  trans-117.857.8179.2-61.4172.5000111.3Y76 H77 D79 A80 L83 V93 N99 A102 V104Y76-L97 HydrophobicContact CE1-CB 4.31Å; Y76-L97 WeakPolarHBondContact CE1-O 3.5Å; Y76-L97 PolarHBondContact OH-O 3.48Å; H77-L97 HydrophobicContact CB-CB 4.32Å; H77-L97 HydrophobicContact CB-CD1 4.14Å; D79-L97 HydrophobicContact CB-CD1 4.02Å; D79-L97 HydrophobicContact CB-CD2 4.41Å; A80-L97 HydrophobicContact CB-CD1 4.16Å; L83-L97 HydrophobicContact CB-CD1 4.41Å; L83-L97 HydrophobicContact CD2-CD1 3.95Å; L83-L97 HydrophobicContact CD2-CG 4.1Å; V93-L97 HydrophobicContact CG1-CD1 4.39Å; V93-L97 VanDerWaalsContact O-CB 3.3Å; V93-L97 WeakPolarHBondContact O-CB 3.11Å; V93-L97 PolarHBondContact O-N 2.8Å; L97-N99 PolarHBondContact O-N 2.87Å; L97-N99 VanDerWaalsContact O-N 3.15Å; L97-A102 HydrophobicContact CD2-CB 4.06Å; L97-A102 WeakPolarHBondContact CD2-O 3.47Å; L97-V104 HydrophobicContact CD2-CG2 3.83Å; L97-V104 HydrophobicContact CG-CG2 4.29Å
98P86.3Confident81.4Confident82 Ų8276.8 Ų76.853%0.53241%0.411SS..SBendtrans-67.5-17.7-173.629.1-37.1000113.4R96R96-P98 VanDerWaalsContact O-CD 3.25Å; R96-P98 WeakPolarHBondContact O-CD 3.31Å
99N83.4Confident81.7Confident85 Ų8575.7 Ų75.746%0.45541%0.405SS..SBendtrans-154.2168.5178.761.568.5000110.4H77 L97 N101 A102H77-N99 PolarHBondContact CD2-O 2.89Å; H77-N99 VanDerWaalsContact CD2-O 3.27Å; H77-N99 PolarHBondContact NE2-O 3.33Å; L97-N99 PolarHBondContact O-N 2.87Å; L97-N99 VanDerWaalsContact O-N 3.15Å; N99-N101 PolarHBondContact O-N 3.45Å; N99-N101 VanDerWaalsContact O-N 3.1Å; N99-N101 WeakPolarHBondContact OD1-CA 3.46Å; N99-N101 WeakPolarHBondContact OD1-CB 3.47Å; N99-N101 PolarHBondContact OD1-N 2.96Å; N99-A102 PolarHBondContact O-N 2.89Å; N99-A102 PolarHBondContact OD1-N 3.04Å
100L83.2Confident82Confident124 Ų12477.6 Ų77.665%0.64942%0.416SS*.THydrogen-bonded Turntrans-65.1-9.9-176.8-65.4174.3000115.6
101N81.7Confident82.4Confident153 Ų15374.2 Ų74.282%0.81840%0.398SS*.THydrogen-bonded Turntrans-96.7-9.2179-59.9-36.7000112.6N99N99-N101 PolarHBondContact O-N 3.45Å; N99-N101 VanDerWaalsContact O-N 3.1Å; N99-N101 WeakPolarHBondContact OD1-CA 3.46Å; N99-N101 WeakPolarHBondContact OD1-CB 3.47Å; N99-N101 PolarHBondContact OD1-N 2.96Å
102A79.9Confident82.9Confident23 Ų2369.8 Ų69.819%0.1938%0.379CS..  trans-76.1128.9175.600000109.2H77 L97 N99H77-A102 PolarHBondContact CE1-O 2.87Å; H77-A102 PolarHBondContact NE2-O 3.24Å; L97-A102 HydrophobicContact CD2-CB 4.06Å; L97-A102 WeakPolarHBondContact CD2-O 3.47Å; N99-A102 PolarHBondContact O-N 2.89Å; N99-A102 PolarHBondContact OD1-N 3.04Å
103S75.8Confident83.2Confident78 Ų7872.6 Ų72.655%0.54539%0.389SS..  trans-113.9153.817362.30000110.4D105S103-D105 PolarHBondContact OG-OD1 2.97Å
104V70.6Confident83.5Confident24 Ų2473.6 Ų73.615%0.14540%0.396CS..  trans-111.299.7168.1-1790000107.9D79 L83 L97 T106 V107D79-V104 PolarHBondContact OD2-N 2.98Å; L83-V104 HydrophobicContact CD2-CG2 4.13Å; L97-V104 HydrophobicContact CD2-CG2 3.83Å; L97-V104 HydrophobicContact CG-CG2 4.29Å; V104-T106 VanDerWaalsContact C-N 3.34Å; V104-T106 WeakPolarHBondContact CG1-O 3.06Å; V104-T106 PolarHBondContact O-N 3.35Å; V104-V107 HydrophobicContact CG1-CG2 3.91Å
105D66Low83.7Confident146 Ų14670.7 Ų70.778%0.78138%0.376SS*.SBendtrans-66.3-38.6-177-65.3-12.8000111.9S103S103-D105 PolarHBondContact OG-OD1 2.97Å
106T66.2Low83.7Confident91 Ų9167.6 Ų67.656%0.55836%0.359SS*.  trans-134125.8179.151.40000111.4V104 E108V104-T106 VanDerWaalsContact C-N 3.34Å; V104-T106 WeakPolarHBondContact CG1-O 3.06Å; V104-T106 PolarHBondContact O-N 3.35Å; T106-E108 PolarHBondContact O-N 3.23Å
107V70.5Confident84Confident26 Ų2662 Ų6216%0.15834%0.339CS..  trans-94102.4178.7-176.90000107.5Q82 V86 V104 Q245Q82-V107 HydrophobicContact CG-CG2 4.03Å; V86-V107 HydrophobicContact CB-CG1 3.63Å; V86-V107 HydrophobicContact CG1-CG1 3.27Å; V86-V107 HydrophobicContact CG2-CB 4.45Å; V86-V107 HydrophobicContact CG2-CG1 3.01Å; V104-V107 HydrophobicContact CG1-CG2 3.91Å; V107-Q245 PolarHBondContact O-NE2 2.98Å
108E82.2Confident84.1Confident119 Ų11962.3 Ų62.356%0.55634%0.34SS*.  trans-99.2130.3-173.7-66.1-178.7174.600112.2T106T106-E108 PolarHBondContact O-N 3.23Å
109L90.6Very high84.2Confident13 Ų1360 Ų607%0.06832%0.324CS..  trans-66.7130.3167.7-61.3-173.7000109V86 F115 I196 L239 T247V86-L109 HydrophobicContact CB-CD2 4.43Å; V86-L109 HydrophobicContact CG1-CD2 4.41Å; L109-F115 HydrophobicContact CD1-CE1 4.28Å; L109-F115 HydrophobicContact CD1-CZ 4.23Å; L109-F115 HydrophobicContact CD2-CB 4.25Å; L109-F115 HydrophobicContact CD2-CD1 3.8Å; L109-F115 HydrophobicContact CD2-CD2 4.04Å; L109-F115 HydrophobicContact CD2-CE1 4.18Å; L109-F115 HydrophobicContact CD2-CE2 4.38Å; L109-F115 HydrophobicContact CD2-CG 3.76Å; L109-F115 HydrophobicContact CD2-CZ 4.46Å; L109-I196 HydrophobicContact CB-CD1 4.38Å; L109-L239 HydrophobicContact CD1-CB 4.01Å; L109-T247 HydrophobicContact CD1-CG2 3.61Å; L109-T247 HydrophobicContact CG-CG2 4.29Å
110T91.5Very high84.5Confident72 Ų7257.6 Ų57.644%0.44232%0.315SS..  trans-107.2131.7175.9-55.10000109.4K113T110-K113 HydrophobicContact CG2-CG 3.82Å; T110-K113 PolarHBondContact O-N 2.74Å; T110-K113 VanDerWaalsContact O-N 3.15Å
111L94.2Very high84.6Confident29 Ų2953.2 Ų53.215%0.15229%0.294CS..THydrogen-bonded Turntrans-57.1142.5176-164.864.2000110.4K113 H151 D153 N194 I196L111-K113 PolarHBondContact O-N 2.83Å; L111-K113 VanDerWaalsContact O-N 3.14Å; L111-H151 HydrophobicContact CD1-CB 4.13Å; L111-D153 HydrophobicContact CD2-CB 3.8Å; L111-N194 HydrophobicContact CD2-CB 3.84Å; L111-I196 HydrophobicContact CD1-CD1 4.38Å; L111-I196 HydrophobicContact CD1-CG1 3.94Å
112F96.1Very high84.7Confident50 Ų5050.3 Ų50.322%0.21929%0.286CS..THydrogen-bonded Turntrans58.117.8-175.4-55.1-46.9000116.4H151 D153 T156 K158 F160F112-H151 HydrophobicContact CD1-CB 3.69Å; F112-H151 HydrophobicContact CE1-CB 4.02Å; F112-H151 PolarHBondContact N-ND1 2.73Å; F112-H151 VanDerWaalsContact N-ND1 3.11Å; F112-D153 HydrophobicContact CE2-CB 3.7Å; F112-D153 HydrophobicContact CZ-CB 3.46Å; F112-D153 VanDerWaalsContact CZ-CB 3.46Å; F112-T156 HydrophobicContact CE1-CG2 4.13Å; F112-T156 HydrophobicContact CE2-CG2 4.22Å; F112-T156 HydrophobicContact CZ-CG2 3.67Å; F112-K158 HydrophobicContact CB-CD 3.89Å; F112-K158 HydrophobicContact CD1-CB 3.89Å; F112-K158 HydrophobicContact CD1-CD 3.79Å; F112-K158 HydrophobicContact CD1-CG 3.65Å; F112-K158 HydrophobicContact CE1-CB 4.4Å; F112-K158 HydrophobicContact CE1-CG 4.14Å; F112-K158 HydrophobicContact CG-CD 4.09Å; F112-K158 HydrophobicContact CG-CG 4.42Å; F112-F160 WeakPolarHBondContact O-CZ 3.32Å
113K93.2Very high84.9Confident111 Ų11149.8 Ų49.848%0.48328%0.28SS..  trans-114.9125.8168.4-61.7-63.2-176.8-177.90109.8T110 L111 H151T110-K113 HydrophobicContact CG2-CG 3.82Å; T110-K113 PolarHBondContact O-N 2.74Å; T110-K113 VanDerWaalsContact O-N 3.15Å; L111-K113 PolarHBondContact O-N 2.83Å; L111-K113 VanDerWaalsContact O-N 3.14Å; K113-H151 PolarHBondContact O-CE1 3.35Å
114P92.6Very high85.1Confident23 Ų2351.4 Ų51.415%0.14928%0.282CS..  trans-70.3150.5179.330.5-35.3000111.1L88 F160L88-P114 HydrophobicContact CD1-CB 3.88Å; L88-P114 HydrophobicContact CD1-CG 4.08Å; P114-F160 HydrophobicContact CB-CB 3.78Å; P114-F160 HydrophobicContact CB-CD1 3.72Å; P114-F160 HydrophobicContact CB-CD2 4.01Å; P114-F160 HydrophobicContact CB-CE1 4.26Å; P114-F160 HydrophobicContact CB-CG 3.57Å; P114-F160 HydrophobicContact CG-CD1 4.06Å; P114-F160 HydrophobicContact CG-CE1 4.22Å; P114-F160 HydrophobicContact CG-CG 4.39Å
115F90.7Very high85.3Confident2 Ų253 Ų531%0.00929%0.294CS..  trans-133.5160.4171.355.4-81000110.1D85 V86 L109 Q149 H151 I196 L239 Y302D85-F115 CarbonylContact O-C 3.57Å; V86-F115 HydrophobicContact CB-CB 4.48Å; V86-F115 WeakPolarHBondContact O-CB 3.15Å; L109-F115 HydrophobicContact CD1-CE1 4.28Å; L109-F115 HydrophobicContact CD1-CZ 4.23Å; L109-F115 HydrophobicContact CD2-CB 4.25Å; L109-F115 HydrophobicContact CD2-CD1 3.8Å; L109-F115 HydrophobicContact CD2-CD2 4.04Å; L109-F115 HydrophobicContact CD2-CE1 4.18Å; L109-F115 HydrophobicContact CD2-CE2 4.38Å; L109-F115 HydrophobicContact CD2-CG 3.76Å; L109-F115 HydrophobicContact CD2-CZ 4.46Å; F115-Q149 VanDerWaalsContact CD2-NE2 3.34Å; F115-Q149 HydrophobicContact CE1-CG 4.44Å; F115-Q149 VanDerWaalsContact CZ-CD 3.47Å; F115-Q149 HydrophobicContact CZ-CG 4.1Å; F115-Q149 PolarHBondContact O-NE2 2.82Å; F115-Q149 PolarHBondContact O-OE1 3.44Å; F115-Q149 VanDerWaalsContact O-OE1 3.13Å; F115-H151 AromaticContact CE1-CE1 3.97Å; F115-H151 AromaticContact CE1-NE2 3.77Å; F115-I196 HydrophobicContact CE1-CG2 3.8Å; F115-I196 HydrophobicContact CZ-CG2 3.91Å; F115-L239 HydrophobicContact CE2-CD1 3.67Å; F115-L239 HydrophobicContact CZ-CD1 3.42Å; F115-L239 VanDerWaalsContact CZ-CD1 3.42Å; F115-Y302 HydrophobicContact CD2-CE1 4.43Å; F115-Y302 AromaticContact CE2-CE1 3.84Å; F115-Y302 HydrophobicContact CE2-CE1 3.84Å
116R89.2Confident85.9Confident46 Ų4651.8 Ų51.817%0.17429%0.287CS..PPolyproline II helixtrans-68.7124.7173.2-67.1-168.8176.5164.9-17.7109.6S69 D85 L88 S304 D305S69-R116 PolarHBondContact OG-NH2 3.46Å; D85-R116 HydrophobicContact CB-CB 4.45Å; D85-R116 PolarHBondContact O-N 3.1Å; D85-R116 VanDerWaalsContact OD1-CD 3.3Å; D85-R116 WeakPolarHBondContact OD1-CD 3.3Å; D85-R116 IonicContact OD1-CZ 2.73Å; D85-R116 IonicContact OD1-NE 3.69Å; D85-R116 IonicContact OD1-NH1 3.75Å; D85-R116 PolarHBondContact OD1-NH1 3.04Å; L88-R116 HydrophobicContact CD2-CG 3.58Å; L88-R116 HydrophobicContact CG-CG 4.36Å; R116-S304 WeakPolarHBondContact O-CA 3.49Å; R116-S304 WeakPolarHBondContact O-CB 3.24Å; R116-D305 HydrophobicContact CB-CB 3.81Å; R116-D305 WeakPolarHBondContact CD-OD2 3.46Å; R116-D305 HydrophobicContact CG-CB 4.38Å; R116-D305 IonicContact CZ-OD2 2.78Å; R116-D305 IonicContact NE-OD2 3.02Å; R116-D305 IonicContact NH1-OD2 3.93Å; R116-D305 PolarHBondContact NH1-OD2 3.08Å
117P91.7Very high86.6Confident4 Ų449.7 Ų49.73%0.02627%0.272CS..PPolyproline II helixtrans-66.7157.2178.827.5-33.8000111.5L119 R147 R162 Y302 D305P117-L119 PolarHBondContact O-N 2.89Å; P117-R147 HydrophobicContact CB-CG 4.27Å; P117-R147 HydrophobicContact CG-CG 3.98Å; P117-R162 WeakPolarHBondContact CD-O 3.44Å; P117-R162 HydrophobicContact CG-CB 4.46Å; P117-R162 HydrophobicContact CG-CG 3.96Å; P117-Y302 VanDerWaalsContact CA-OH 3.29Å; P117-Y302 WeakPolarHBondContact CA-OH 3.4Å; P117-D305 PolarHBondContact O-N 2.86Å
118M91.2Very high86.9Confident7 Ų748.7 Ų48.73%0.03427%0.266CS..PPolyproline II helixtrans-63.1131.9168.9-177.7171.6176.700110.2Y302 R303 Y315M118-Y302 HydrophobicContact CB-CD1 4.35Å; M118-Y302 HydrophobicContact CB-CD2 4.03Å; M118-Y302 HydrophobicContact CB-CE1 3.95Å; M118-Y302 HydrophobicContact CB-CE2 3.65Å; M118-Y302 HydrophobicContact CB-CG 4.39Å; M118-Y302 PolarHBondContact N-OH 3.3Å; M118-Y302 HydrophobicContact SD-CD2 4.25Å; M118-Y302 HydrophobicContact SD-CG 4.47Å; M118-R303 WeakPolarHBondContact CA-O 3.35Å; M118-R303 VanDerWaalsContact CB-O 3.23Å; M118-R303 WeakPolarHBondContact CB-O 3.41Å; M118-R303 VanDerWaalsContact CG-O 3.3Å; M118-R303 WeakPolarHBondContact CG-O 3.37Å; M118-Y315 HydrophobicContact CE-CD1 3.94Å; M118-Y315 HydrophobicContact CE-CD2 4.15Å; M118-Y315 HydrophobicContact CE-CE1 4.11Å; M118-Y315 HydrophobicContact CE-CE2 4.39Å; M118-Y315 HydrophobicContact CE-CG 3.91Å; M118-Y315 HydrophobicContact CG-CD2 4.12Å; M118-Y315 HydrophobicContact CG-CE2 4.21Å; M118-Y315 HydrophobicContact SD-CD1 4.49Å; M118-Y315 HydrophobicContact SD-CD2 4.03Å; M118-Y315 HydrophobicContact SD-CE1 4.21Å; M118-Y315 HydrophobicContact SD-CE2 3.79Å; M118-Y315 HydrophobicContact SD-CG 4.37Å
119L88.6Confident86.7Confident35 Ų3547.1 Ų47.118%0.18327%0.266CS..PPolyproline II helixtrans-99.4153.9179.2-57.5-176.6000111.1P117 R162P117-L119 PolarHBondContact O-N 2.89Å; L119-R162 VanDerWaalsContact CD2-NH2 3.3Å
120A88.5Confident86.2Confident33 Ų3353.5 Ų53.527%0.27330%0.295SS..PPolyproline II helixtrans-93147.4170.800000111.2I294 Y315 L317A120-I294 HydrophobicContact CB-CD1 4.44Å; A120-Y315 CarbonylContact C-O 3.54Å; A120-Y315 VanDerWaalsContact CA-O 3.24Å; A120-Y315 WeakPolarHBondContact CA-O 3.39Å; A120-L317 HydrophobicContact CB-CB 4.11Å; A120-L317 HydrophobicContact CB-CD2 4.14Å
121C85.2Confident85.6Confident32 Ų3251.7 Ų51.722%0.21628%0.284CS..EExtended strand (participates in β ladder)trans-90.5133.5173.2-172.30000110.5V123 C313 Y315 F316 L317C121-V123 PolarHBondContact O-N 2.7Å; C121-C313 HydrophobicContact CB-CB 4.17Å; C121-C313 VanDerWaalsContact CB-SG 3.59Å; C121-Y315 PolarHBondContact N-O 3.04Å; C121-F316 HydrophobicContact CB-CD1 4.09Å; C121-F316 HydrophobicContact CB-CE1 4.31Å; C121-F316 CarbonylContact O-C 3.52Å; C121-F316 VanDerWaalsContact O-CA 3.25Å; C121-F316 WeakPolarHBondContact O-CA 3.45Å; C121-L317 PolarHBondContact O-N 3.08Å
122S84.8Confident84.9Confident92 Ų9250.7 Ų50.764%0.64328%0.279SS*.EExtended strand (participates in β ladder)trans-72.5126.1174-167.70000110.9
123V82.8Confident84.1Confident12 Ų1256.9 Ų56.97%0.07331%0.305CS..  trans-136.3157.2179.7-65.50000110.1C121 I127 V128 L310 F316 L317 M318C121-V123 PolarHBondContact O-N 2.7Å; V123-I127 HydrophobicContact CB-CD1 3.59Å; V123-I127 HydrophobicContact CB-CG1 3.87Å; V123-I127 HydrophobicContact CG1-CD1 3.77Å; V123-I127 HydrophobicContact CG1-CG1 4.49Å; V123-V128 HydrophobicContact CG2-CG2 4.42Å; V123-L310 HydrophobicContact CG1-CD2 3.81Å; V123-F316 HydrophobicContact CG1-CD1 3.64Å; V123-F316 HydrophobicContact CG1-CE1 4.33Å; V123-F316 HydrophobicContact CG1-CG 4.47Å; V123-F316 HydrophobicContact CG2-CB 3.71Å; V123-F316 HydrophobicContact CG2-CD1 4.27Å; V123-F316 HydrophobicContact CG2-CG 4.31Å; V123-L317 PolarHBondContact N-O 3.47Å; V123-L317 VanDerWaalsContact N-O 3.12Å; V123-M318 HydrophobicContact CG2-CG 3.94Å
124L80.6Confident83.1Confident112 Ų11255.2 Ų55.259%0.58632%0.32SS*.  trans-80.3148.9169.5-60.9173.9000110.1D126 I127L124-D126 VanDerWaalsContact C-N 3.27Å; L124-D126 WeakPolarHBondContact CB-OD1 3.39Å; L124-D126 PolarHBondContact O-N 2.74Å; L124-I127 HydrophobicContact CB-CG1 4.37Å; L124-I127 WeakPolarHBondContact O-CG1 3.36Å; L124-I127 PolarHBondContact O-N 2.75Å
125P75.6Confident82.5Confident59 Ų5956.3 Ų56.338%0.38333%0.331SS..G310 helixtrans-58.6-35.1-177.5-25.734.6000115.6I127 V128 M318P125-I127 VanDerWaalsContact C-N 3.28Å; P125-I127 PolarHBondContact O-N 3.32Å; P125-V128 WeakPolarHBondContact O-CB 3.48Å; P125-V128 WeakPolarHBondContact O-CG2 3.46Å; P125-V128 PolarHBondContact O-N 2.94Å; P125-M318 WeakPolarHBondContact CA-SD 3.45Å; P125-M318 HydrophobicContact CB-SD 3.79Å; P125-M318 HydrophobicContact CG-CB 4.44Å; P125-M318 HydrophobicContact CG-CG 4.32Å; P125-M318 HydrophobicContact CG-SD 3.94Å
126D79Confident82.2Confident120 Ų12063.8 Ų63.864%0.64237%0.366SS*.G310 helixtrans-67.7-22.2-179.742-42.4000113.7L124L124-D126 VanDerWaalsContact C-N 3.27Å; L124-D126 WeakPolarHBondContact CB-OD1 3.39Å; L124-D126 PolarHBondContact O-N 2.74Å
127I80.8Confident82.2Confident47 Ų4764 Ų6424%0.24137%0.368CS..G310 helixtrans-90.1-7.6176.765158.9000113.5V123 L124 P125 E130 V131V123-I127 HydrophobicContact CB-CD1 3.59Å; V123-I127 HydrophobicContact CB-CG1 3.87Å; V123-I127 HydrophobicContact CG1-CD1 3.77Å; V123-I127 HydrophobicContact CG1-CG1 4.49Å; L124-I127 HydrophobicContact CB-CG1 4.37Å; L124-I127 WeakPolarHBondContact O-CG1 3.36Å; L124-I127 PolarHBondContact O-N 2.75Å; P125-I127 VanDerWaalsContact C-N 3.28Å; P125-I127 PolarHBondContact O-N 3.32Å; I127-E130 WeakPolarHBondContact O-CB 3.13Å; I127-E130 PolarHBondContact O-N 3.22Å; I127-E130 VanDerWaalsContact O-N 3.11Å; I127-V131 HydrophobicContact CD1-CG2 4.13Å; I127-V131 HydrophobicContact CG1-CG2 4.39Å; I127-V131 WeakPolarHBondContact O-CG2 3.36Å; I127-V131 PolarHBondContact O-N 2.91Å
128V75.8Confident82.3Confident5 Ų566.1 Ų66.13%0.0338%0.376CS..Hα-helixtrans-54.8-46.7-179.7173.50000112.7V123 P125 E130 V131 M132 V295 M318V123-V128 HydrophobicContact CG2-CG2 4.42Å; P125-V128 WeakPolarHBondContact O-CB 3.48Å; P125-V128 WeakPolarHBondContact O-CG2 3.46Å; P125-V128 PolarHBondContact O-N 2.94Å; V128-E130 VanDerWaalsContact C-N 3.27Å; V128-E130 PolarHBondContact O-N 3.44Å; V128-V131 PolarHBondContact O-N 2.72Å; V128-M132 HydrophobicContact CG1-CG 4.03Å; V128-M132 WeakPolarHBondContact O-CB 3.38Å; V128-M132 VanDerWaalsContact O-CG 3.3Å; V128-M132 WeakPolarHBondContact O-CG 3.28Å; V128-M132 PolarHBondContact O-N 2.95Å; V128-V295 HydrophobicContact CG1-CG1 4.02Å; V128-V295 HydrophobicContact CG1-CG2 4.5Å; V128-M318 HydrophobicContact CG2-CE 3.67Å; V128-M318 HydrophobicContact CG2-SD 3.44Å; V128-M318 WeakPolarHBondContact CG2-SD 3.35Å
129P78.6Confident82.3Confident86 Ų8665.8 Ų65.856%0.55837%0.374SS*.Hα-helixtrans-60.3-36.5178.3-23.835.5000113.2K133 G134P129-K133 PolarHBondContact O-N 2.81Å; P129-G134 PolarHBondContact O-N 3.1Å
130E80.6Confident82.5Confident147 Ų14764.4 Ų64.469%0.68737%0.367SS*.Hα-helixtrans-70.2-44.8178.6-59.1-173.9169.500111.5I127 V128 K133I127-E130 WeakPolarHBondContact O-CB 3.13Å; I127-E130 PolarHBondContact O-N 3.22Å; I127-E130 VanDerWaalsContact O-N 3.11Å; V128-E130 VanDerWaalsContact C-N 3.27Å; V128-E130 PolarHBondContact O-N 3.44Å; E130-K133 WeakPolarHBondContact O-CG 3.11Å; E130-K133 PolarHBondContact O-N 2.8Å; E130-K133 VanDerWaalsContact O-N 3.16Å
131V77.7Confident82.6Confident33 Ų3363.8 Ų63.820%0.236%0.36CS..Hα-helixtrans-65.9-41.2179.4171.50000111.2I127 V128 K133 L310 F316I127-V131 HydrophobicContact CD1-CG2 4.13Å; I127-V131 HydrophobicContact CG1-CG2 4.39Å; I127-V131 WeakPolarHBondContact O-CG2 3.36Å; I127-V131 PolarHBondContact O-N 2.91Å; V128-V131 PolarHBondContact O-N 2.72Å; V131-K133 PolarHBondContact O-N 3.35Å; V131-L310 HydrophobicContact CG2-CD2 4.16Å; V131-F316 HydrophobicContact CG1-CD1 4.01Å; V131-F316 HydrophobicContact CG1-CD2 4.11Å; V131-F316 HydrophobicContact CG1-CE1 3.36Å; V131-F316 HydrophobicContact CG1-CE2 3.47Å; V131-F316 VanDerWaalsContact CG1-CE2 3.47Å; V131-F316 HydrophobicContact CG1-CG 4.35Å; V131-F316 HydrophobicContact CG1-CZ 3.05Å
132M79.9Confident82.8Confident8 Ų864.4 Ų64.44%0.03936%0.359CS..THydrogen-bonded Turntrans-76.8-10.3175.9-63.4-53.2-67.500112.8V128 G134 A135 E136 F137 V295 N297 F316V128-M132 HydrophobicContact CG1-CG 4.03Å; V128-M132 WeakPolarHBondContact O-CB 3.38Å; V128-M132 VanDerWaalsContact O-CG 3.3Å; V128-M132 WeakPolarHBondContact O-CG 3.28Å; V128-M132 PolarHBondContact O-N 2.95Å; M132-G134 PolarHBondContact O-N 2.92Å; M132-A135 WeakPolarHBondContact O-CB 3.31Å; M132-A135 PolarHBondContact O-N 3.46Å; M132-E136 WeakPolarHBondContact CE-O 3.29Å; M132-F137 HydrophobicContact CE-CB 3.41Å; M132-F137 VanDerWaalsContact CE-CB 3.41Å; M132-F137 HydrophobicContact CG-CB 4.16Å; M132-F137 HydrophobicContact CG-CD1 4.21Å; M132-F137 HydrophobicContact CG-CG 4.49Å; M132-F137 HydrophobicContact SD-CB 4.27Å; M132-V295 HydrophobicContact CG-CG1 4.41Å; M132-V295 HydrophobicContact SD-CG1 4.23Å; M132-N297 HydrophobicContact CE-CB 3.62Å; M132-N297 HydrophobicContact SD-CB 4.31Å; M132-F316 HydrophobicContact SD-CD2 4.31Å; M132-F316 HydrophobicContact SD-CE2 4.06Å
133K78.5Confident83Confident180 Ų18061.8 Ų61.878%0.78334%0.336SS*.THydrogen-bonded Turntrans51.636.4-179.7-57.6179.6-178.3177.60113.2P129 E130 V131 A135P129-K133 PolarHBondContact O-N 2.81Å; E130-K133 WeakPolarHBondContact O-CG 3.11Å; E130-K133 PolarHBondContact O-N 2.8Å; E130-K133 VanDerWaalsContact O-N 3.16Å; V131-K133 PolarHBondContact O-N 3.35Å; K133-A135 PolarHBondContact O-N 3.49Å
134G72.7Confident83.1Confident76 Ų7663.6 Ų63.678%0.78435%0.346SS*.THydrogen-bonded Turntrans708.6-175.800000115.5P129 M132P129-G134 PolarHBondContact O-N 3.1Å; M132-G134 PolarHBondContact O-N 2.92Å
135A79.4Confident83.6Confident47 Ų4759.6 Ų59.639%0.38833%0.331SS..  trans-75.1159.1171.900000111.5M132 K133M132-A135 WeakPolarHBondContact O-CB 3.31Å; M132-A135 PolarHBondContact O-N 3.46Å; K133-A135 PolarHBondContact O-N 3.49Å
136E85.3Confident84.3Confident159 Ų15960.5 Ų60.574%0.74333%0.33SS*.  trans-57.3147.4170.5-64.4-176.4156.400111.2M132 P298M132-E136 WeakPolarHBondContact CE-O 3.29Å; E136-P298 HydrophobicContact CB-CG 4.48Å; E136-P298 WeakPolarHBondContact O-CD 3.47Å
137F89.4Confident85.1Confident50 Ų5056.9 Ų56.922%0.21931%0.307CS..  trans-137.2153.1176.655.8-96.9000111.2M132 V139 T276 V278 V295 K296M132-F137 HydrophobicContact CE-CB 3.41Å; M132-F137 VanDerWaalsContact CE-CB 3.41Å; M132-F137 HydrophobicContact CG-CB 4.16Å; M132-F137 HydrophobicContact CG-CD1 4.21Å; M132-F137 HydrophobicContact CG-CG 4.49Å; M132-F137 HydrophobicContact SD-CB 4.27Å; F137-V139 HydrophobicContact CD2-CG2 3.63Å; F137-V139 HydrophobicContact CE2-CG2 3.62Å; F137-T276 WeakPolarHBondContact CE2-O 3.32Å; F137-T276 WeakPolarHBondContact CZ-O 3.35Å; F137-V278 HydrophobicContact CD2-CG2 4.09Å; F137-V278 HydrophobicContact CE1-CG2 4.49Å; F137-V278 HydrophobicContact CE2-CG2 3.22Å; F137-V278 HydrophobicContact CZ-CG2 3.48Å; F137-V278 VanDerWaalsContact CZ-CG2 3.48Å; F137-V295 HydrophobicContact CB-CG1 3.92Å; F137-V295 HydrophobicContact CD2-CG1 4.34Å; F137-V295 HydrophobicContact CG-CG1 4.25Å; F137-K296 WeakPolarHBondContact CA-O 3.1Å
138Y92.3Very high85.8Confident48 Ų4854.8 Ų54.819%0.18830%0.297CS..EExtended strand (participates in β ladder)trans-99.2141.9165.3-63.2-39.9000109.8L251 H252 L255 Q274 K275 V295 K296 P298Y138-L251 HydrophobicContact CD2-CD2 3.9Å; Y138-L251 HydrophobicContact CD2-CG 4.38Å; Y138-L251 HydrophobicContact CE2-CD2 4.46Å; Y138-H252 HydrophobicContact CE2-CB 4.19Å; Y138-H252 WeakPolarHBondContact OH-CB 3.19Å; Y138-L255 HydrophobicContact CD2-CD1 3.89Å; Y138-L255 HydrophobicContact CE2-CD1 3.76Å; Y138-Q274 HydrophobicContact CD1-CB 3.84Å; Y138-Q274 HydrophobicContact CD1-CG 4.21Å; Y138-Q274 HydrophobicContact CD2-CB 4.48Å; Y138-Q274 HydrophobicContact CD2-CG 3.95Å; Y138-Q274 HydrophobicContact CE1-CB 4.48Å; Y138-Q274 HydrophobicContact CG-CB 3.84Å; Y138-Q274 HydrophobicContact CG-CG 3.72Å; Y138-K275 CarbonylContact C-O 3.59Å; Y138-K275 WeakPolarHBondContact CA-O 3.23Å; Y138-V295 CarbonylContact O-C 3.58Å; Y138-V295 VanDerWaalsContact O-CA 3.29Å; Y138-V295 WeakPolarHBondContact O-CA 3.31Å; Y138-K296 PolarHBondContact N-O 2.82Å; Y138-K296 PolarHBondContact O-N 2.85Å; Y138-P298 HydrophobicContact CD1-CG 4.3Å; Y138-P298 HydrophobicContact CD2-CB 4.16Å; Y138-P298 HydrophobicContact CD2-CG 3.88Å; Y138-P298 HydrophobicContact CE1-CG 4.19Å; Y138-P298 HydrophobicContact CE2-CB 3.63Å; Y138-P298 HydrophobicContact CE2-CG 3.76Å; Y138-P298 HydrophobicContact CG-CG 4.14Å
139V91.3Very high86.9Confident0 Ų054.7 Ų54.70%030%0.296CS..EExtended strand (participates in β ladder)trans-115.5123.2171.8-165.50000107.9F137 K275 V278 A281 I293 I294 V295F137-V139 HydrophobicContact CD2-CG2 3.63Å; F137-V139 HydrophobicContact CE2-CG2 3.62Å; V139-K275 HydrophobicContact CB-CB 4.27Å; V139-K275 PolarHBondContact N-O 3.21Å; V139-K275 PolarHBondContact O-N 3.1Å; V139-V278 HydrophobicContact CG2-CG2 4.04Å; V139-A281 HydrophobicContact CB-CB 4.07Å; V139-A281 HydrophobicContact CG1-CB 3.5Å; V139-I293 HydrophobicContact CG1-CB 3.96Å; V139-I293 HydrophobicContact CG1-CD1 3.86Å; V139-I293 HydrophobicContact CG1-CG1 4.45Å; V139-I293 HydrophobicContact CG1-CG2 4.23Å; V139-I294 WeakPolarHBondContact CA-O 3.49Å; V139-V295 HydrophobicContact CG1-CG2 4.31Å; V139-V295 HydrophobicContact CG2-CG2 4.2Å
140E92.9Very high87.8Confident6 Ų650.6 Ų50.63%0.02827%0.269CS..EExtended strand (participates in β ladder)trans-119.3151.7175.9-64.7178.2-165.900109.5K142 F236 Q274 I293 I294 K296E140-K142 PolarHBondContact O-N 2.62Å; E140-F236 WeakPolarHBondContact OE2-CB 2.97Å; E140-Q274 HydrophobicContact CG-CG 4Å; E140-Q274 PolarHBondContact OE1-NE2 3.31Å; E140-I293 CarbonylContact O-C 3.52Å; E140-I293 WeakPolarHBondContact O-CA 3.29Å; E140-I294 PolarHBondContact N-O 3.06Å; E140-I294 PolarHBondContact O-N 3.2Å; E140-K296 WeakPolarHBondContact OE1-CD 3.4Å; E140-K296 WeakPolarHBondContact OE1-CE 3.26Å; E140-K296 IonicContact OE1-NZ 3.5Å; E140-K296 PolarHBondContact OE1-NZ 2.98Å; E140-K296 WeakPolarHBondContact OE2-CE 3.06Å; E140-K296 IonicContact OE2-NZ 3.64Å; E140-K296 PolarHBondContact OE2-NZ 2.9Å
141T90.7Very high88.6Confident21 Ų2143.6 Ų43.613%0.12924%0.237CC..EExtended strand (participates in β ladder)trans-60.9134.2168.7-74.90000109.9F143 R288 E290T141-F143 HydrophobicContact CG2-CD1 3.87Å; T141-F143 HydrophobicContact CG2-CD2 4.33Å; T141-F143 HydrophobicContact CG2-CE1 3.71Å; T141-F143 HydrophobicContact CG2-CE2 4.17Å; T141-F143 HydrophobicContact CG2-CG 4.2Å; T141-F143 HydrophobicContact CG2-CZ 3.87Å; T141-F143 VanDerWaalsContact O-CD2 3.31Å; T141-F143 WeakPolarHBondContact O-CD2 3.3Å; T141-F143 PolarHBondContact O-N 2.84Å; T141-R288 PolarHBondContact OG1-NH2 3.13Å; T141-E290 HydrophobicContact CG2-CB 4.1Å; T141-E290 HydrophobicContact CG2-CG 3.92Å; T141-E290 WeakPolarHBondContact CG2-OE2 3.39Å; T141-E290 PolarHBondContact OG1-OE2 2.71Å
142K91Very high89.6Confident45 Ų4543 Ų4320%0.19623%0.231CC..EExtended strand (participates in β ladder)trans-79101.9166.3-172.6179-171.9-66.60108.7E140 E291 G292 I294E140-K142 PolarHBondContact O-N 2.62Å; K142-E291 HydrophobicContact CD-CB 4.37Å; K142-E291 HydrophobicContact CD-CG 4.34Å; K142-E291 HydrophobicContact CG-CB 4.43Å; K142-E291 IonicContact NZ-OE1 3.19Å; K142-E291 PolarHBondContact NZ-OE1 3.49Å; K142-E291 IonicContact NZ-OE2 3.79Å; K142-E291 PolarHBondContact NZ-OE2 3.35Å; K142-G292 VanDerWaalsContact CB-C 3.44Å; K142-G292 VanDerWaalsContact CB-O 3.3Å; K142-G292 WeakPolarHBondContact CB-O 3.33Å; K142-G292 PolarHBondContact N-O 3.47Å; K142-I294 HydrophobicContact CB-CD1 4.17Å; K142-I294 HydrophobicContact CB-CG1 4.05Å; K142-I294 HydrophobicContact CD-CD1 4.09Å; K142-I294 HydrophobicContact CG-CD1 3.96Å; K142-I294 HydrophobicContact CG-CG1 4.22Å
143F88.7Confident90.4Very high36 Ų3645.1 Ų45.116%0.15824%0.242CC..  trans-74.5139.6175.7-66.8-72.4000111.5T141 E200 I202 F211 V234 A272T141-F143 HydrophobicContact CG2-CD1 3.87Å; T141-F143 HydrophobicContact CG2-CD2 4.33Å; T141-F143 HydrophobicContact CG2-CE1 3.71Å; T141-F143 HydrophobicContact CG2-CE2 4.17Å; T141-F143 HydrophobicContact CG2-CG 4.2Å; T141-F143 HydrophobicContact CG2-CZ 3.87Å; T141-F143 VanDerWaalsContact O-CD2 3.31Å; T141-F143 WeakPolarHBondContact O-CD2 3.3Å; T141-F143 PolarHBondContact O-N 2.84Å; F143-E200 HydrophobicContact CB-CB 4.2Å; F143-E200 HydrophobicContact CB-CG 4.15Å; F143-I202 HydrophobicContact CB-CD1 3.44Å; F143-I202 VanDerWaalsContact CB-CD1 3.44Å; F143-I202 HydrophobicContact CB-CG1 4.33Å; F143-I202 HydrophobicContact CD1-CD1 3.32Å; F143-I202 HydrophobicContact CE1-CD1 4.26Å; F143-I202 HydrophobicContact CG-CD1 3.54Å; F143-F211 HydrophobicContact CD1-CE2 4.43Å; F143-F211 HydrophobicContact CE1-CD2 4.15Å; F143-F211 AromaticContact CE1-CE2 3.73Å; F143-F211 HydrophobicContact CE1-CE2 3.73Å; F143-F211 HydrophobicContact CE1-CZ 4.24Å; F143-V234 HydrophobicContact CD2-CB 4.47Å; F143-V234 HydrophobicContact CD2-CG1 3.84Å; F143-V234 HydrophobicContact CE1-CG1 4.41Å; F143-V234 HydrophobicContact CE2-CG1 3.52Å; F143-V234 HydrophobicContact CG-CG1 4.43Å; F143-V234 HydrophobicContact CZ-CG1 3.83Å; F143-A272 HydrophobicContact CE2-CB 4.24Å
144D84.9Confident91.2Very high51 Ų5140 Ų4027%0.27323%0.226SC..  trans-101.583.9179.9-167.11.1000109.9K214 E291D144-K214 VanDerWaalsContact CG-CE 3.47Å; D144-K214 WeakPolarHBondContact OD1-CE 3.01Å; D144-K214 IonicContact OD1-NZ 2.82Å; D144-K214 PolarHBondContact OD1-NZ 2.77Å; D144-K214 WeakPolarHBondContact OD2-CD 3.35Å; D144-K214 WeakPolarHBondContact OD2-CE 3.1Å; D144-K214 WeakPolarHBondContact OD2-CG 3.3Å; D144-K214 IonicContact OD2-NZ 3.59Å; D144-K214 PolarHBondContact OD2-NZ 2.8Å; D144-E291 HydrophobicContact CB-CB 4.42Å
145G89.8Confident92.2Very high27 Ų2740.9 Ų40.928%0.27821%0.213SC..SBendtrans-146.4-153.5-176.100000112.6E200 M201G145-E200 VanDerWaalsContact C-OE1 3.24Å; G145-M201 CarbonylContact C-O 3.53Å; G145-M201 VanDerWaalsContact CA-O 3.29Å; G145-M201 WeakPolarHBondContact CA-O 3.33Å
146E91.6Very high93Very high78 Ų7842 Ų4236%0.36422%0.215SC..EExtended strand (participates in β ladder)trans-110.5117.4176-70.4-77.1155.700110.1V148 E200 M201 V220 K221E146-V148 WeakPolarHBondContact O-CG2 3.32Å; E146-V148 PolarHBondContact O-N 3.47Å; E146-E200 VanDerWaalsContact C-OE1 3.29Å; E146-M201 HydrophobicContact CB-CB 4.48Å; E146-M201 PolarHBondContact N-O 3.48Å; E146-M201 WeakPolarHBondContact O-CB 3.41Å; E146-M201 PolarHBondContact O-N 3.37Å; E146-V220 HydrophobicContact CB-CG2 4.16Å; E146-V220 HydrophobicContact CG-CG2 3.93Å; E146-K221 IonicContact OE1-NZ 2.84Å; E146-K221 IonicContact OE2-NZ 2.77Å; E146-K221 PolarHBondContact OE2-NZ 3.19Å
147R94.6Very high93.6Very high45 Ų4534.5 Ų34.517%0.1718%0.18CC..EExtended strand (participates in β ladder)trans-57.9119.6173.8-177.160.3161.8-125.10.4111.4P117 S161 R162 D198 G199 E200 F236P117-R147 HydrophobicContact CB-CG 4.27Å; P117-R147 HydrophobicContact CG-CG 3.98Å; R147-S161 WeakPolarHBondContact O-CA 3.43Å; R147-R162 HydrophobicContact CB-CB 4.19Å; R147-R162 HydrophobicContact CG-CB 4.4Å; R147-R162 PolarHBondContact O-N 3.26Å; R147-R162 VanDerWaalsContact O-N 3.13Å; R147-D198 IonicContact CZ-OD1 3.53Å; R147-D198 IonicContact CZ-OD2 3.68Å; R147-D198 IonicContact NE-OD1 3.88Å; R147-D198 PolarHBondContact NE-OD1 3.3Å; R147-D198 IonicContact NE-OD2 2.75Å; R147-D198 VanDerWaalsContact NH2-CG 3.27Å; R147-D198 IonicContact NH2-OD1 3.58Å; R147-D198 PolarHBondContact NH2-OD1 2.88Å; R147-D198 IonicContact NH2-OD2 3.85Å; R147-D198 PolarHBondContact NH2-OD2 3.31Å; R147-G199 WeakPolarHBondContact CD-O 3.49Å; R147-E200 WeakPolarHBondContact CA-OE2 3.32Å; R147-E200 WeakPolarHBondContact CD-OE2 3.05Å; R147-E200 PolarHBondContact N-OE1 3.07Å; R147-E200 IonicContact NH1-OE2 3.6Å; R147-F236 VanDerWaalsContact NH2-CZ 3.28Å
148V96.6Very high94Very high3 Ų334.9 Ų34.92%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-132.8131.4-177.5172.80000111.1E146 Y159 F160 Y171 G199 M201 Y233E146-V148 WeakPolarHBondContact O-CG2 3.32Å; E146-V148 PolarHBondContact O-N 3.47Å; V148-Y159 HydrophobicContact CG1-CD1 3.81Å; V148-Y159 HydrophobicContact CG1-CG 4.45Å; V148-F160 CarbonylContact C-O 3.42Å; V148-F160 WeakPolarHBondContact CA-O 3.33Å; V148-Y171 HydrophobicContact CG2-CE2 4.28Å; V148-G199 PolarHBondContact N-O 2.88Å; V148-G199 PolarHBondContact O-N 2.86Å; V148-G199 VanDerWaalsContact O-N 3.14Å; V148-M201 HydrophobicContact CG2-CB 3.98Å; V148-Y233 HydrophobicContact CB-CE2 4.16Å; V148-Y233 HydrophobicContact CG1-CE2 4.36Å; V148-Y233 WeakPolarHBondContact O-CE2 3.16Å; V148-Y233 PolarHBondContact O-OH 3.23Å
149Q97.5Very high94.3Very high2 Ų232.6 Ų32.61%0.00917%0.172CC..EExtended strand (participates in β ladder)trans-95.7126166.6-67.9166.5-3.100109.2F115 Y159 F160 L197F115-Q149 VanDerWaalsContact CD2-NE2 3.34Å; F115-Q149 HydrophobicContact CE1-CG 4.44Å; F115-Q149 VanDerWaalsContact CZ-CD 3.47Å; F115-Q149 HydrophobicContact CZ-CG 4.1Å; F115-Q149 PolarHBondContact O-NE2 2.82Å; F115-Q149 PolarHBondContact O-OE1 3.44Å; F115-Q149 VanDerWaalsContact O-OE1 3.13Å; Q149-Y159 CarbonylContact O-C 3.56Å; Q149-Y159 WeakPolarHBondContact O-CA 3.45Å; Q149-F160 HydrophobicContact CB-CB 4.45Å; Q149-F160 PolarHBondContact N-O 3.04Å; Q149-F160 PolarHBondContact O-N 3.32Å; Q149-L197 WeakPolarHBondContact CA-O 3.36Å
150M98.1Very high94.5Very high0 Ų032.8 Ų32.80%017%0.173CC..EExtended strand (participates in β ladder)trans-104.3121.6173.7-175.2-160.380.400109.6R152 Y157 K158 Y159 L184 F188 I196 L197 Y233M150-R152 HydrophobicContact CE-CB 4.09Å; M150-Y157 HydrophobicContact CE-CE1 4.39Å; M150-Y157 HydrophobicContact CG-CD1 4.23Å; M150-Y157 HydrophobicContact SD-CD1 3.87Å; M150-Y157 HydrophobicContact SD-CE1 4.03Å; M150-K158 CarbonylContact C-O 3.57Å; M150-K158 WeakPolarHBondContact CA-O 3.28Å; M150-Y159 HydrophobicContact CB-CD1 4.07Å; M150-Y159 HydrophobicContact CB-CE1 3.93Å; M150-Y159 HydrophobicContact CG-CD1 4Å; M150-Y159 HydrophobicContact CG-CE1 3.49Å; M150-Y159 VanDerWaalsContact CG-CE1 3.49Å; M150-Y159 HydrophobicContact SD-CE1 4.06Å; M150-L184 HydrophobicContact SD-CD1 4.22Å; M150-F188 HydrophobicContact CE-CE1 3.93Å; M150-F188 HydrophobicContact CE-CE2 4.45Å; M150-F188 HydrophobicContact CE-CZ 3.43Å; M150-F188 VanDerWaalsContact CE-CZ 3.43Å; M150-F188 HydrophobicContact SD-CZ 4.26Å; M150-I196 WeakPolarHBondContact O-CA 3.3Å; M150-L197 HydrophobicContact CB-CB 4.41Å; M150-L197 HydrophobicContact CE-CB 4.35Å; M150-L197 HydrophobicContact CE-CD1 3.5Å; M150-L197 VanDerWaalsContact CE-CD1 3.5Å; M150-L197 HydrophobicContact CE-CG 3.76Å; M150-L197 PolarHBondContact N-O 3.14Å; M150-L197 PolarHBondContact O-N 2.68Å; M150-Y233 HydrophobicContact CB-CE1 3.73Å; M150-Y233 PolarHBondContact N-OH 2.57Å; M150-Y233 HydrophobicContact SD-CE1 4.35Å
151H98.3Very high94.6Very high0 Ų033.1 Ų33.10%018%0.176CC..EExtended strand (participates in β ladder)trans-104.5131.2172.2-66.5-128.2000108L111 F112 K113 F115 Y157 K158 F160 I196L111-H151 HydrophobicContact CD1-CB 4.13Å; F112-H151 HydrophobicContact CD1-CB 3.69Å; F112-H151 HydrophobicContact CE1-CB 4.02Å; F112-H151 PolarHBondContact N-ND1 2.73Å; F112-H151 VanDerWaalsContact N-ND1 3.11Å; K113-H151 PolarHBondContact O-CE1 3.35Å; F115-H151 AromaticContact CE1-CE1 3.97Å; F115-H151 AromaticContact CE1-NE2 3.77Å; H151-Y157 CarbonylContact O-C 3.59Å; H151-Y157 WeakPolarHBondContact O-CA 3.41Å; H151-K158 HydrophobicContact CB-CB 4.45Å; H151-K158 PolarHBondContact N-O 3.13Å; H151-K158 PolarHBondContact O-N 2.82Å; H151-F160 HydrophobicContact CB-CE2 4.45Å; H151-F160 AromaticContact CD2-CD2 3.51Å; H151-F160 AromaticContact CD2-CE2 3.66Å; H151-F160 AromaticContact CG-CE2 3.91Å; H151-F160 AromaticContact NE2-CD2 3.64Å; H151-F160 AromaticContact NE2-CE2 3.9Å; H151-I196 VanDerWaalsContact CE1-CD1 3.45Å; H151-I196 WeakPolarHBondContact CE1-CD1 3.16Å; H151-I196 WeakPolarHBondContact ND1-CD1 3.39Å
152R97.7Very high94.6Very high22 Ų2238.4 Ų38.48%0.08319%0.193CC..EExtended strand (participates in β ladder)trans-130.9134.9-179.7177.6-173.3175.3-95.9-6.4110.5M150 V154 T156 Y157 V192 N194 C195M150-R152 HydrophobicContact CE-CB 4.09Å; R152-V154 PolarHBondContact NE-O 2.87Å; R152-V154 PolarHBondContact NH2-O 3.11Å; R152-T156 CarbonylContact C-O 3.5Å; R152-T156 WeakPolarHBondContact CA-O 3.24Å; R152-Y157 HydrophobicContact CB-CD1 4.15Å; R152-Y157 HydrophobicContact CB-CE1 4.1Å; R152-Y157 VanDerWaalsContact CD-CZ 3.45Å; R152-Y157 WeakPolarHBondContact CD-OH 3.45Å; R152-Y157 HydrophobicContact CG-CD1 4.14Å; R152-Y157 HydrophobicContact CG-CD2 4.45Å; R152-Y157 HydrophobicContact CG-CE1 3.74Å; R152-Y157 HydrophobicContact CG-CE2 4.05Å; R152-Y157 HydrophobicContact CG-CG 4.49Å; R152-Y157 PolarHBondContact NE-OH 2.74Å; R152-V192 PolarHBondContact NH1-O 3.22Å; R152-N194 CarbonylContact O-C 3.51Å; R152-N194 WeakPolarHBondContact O-CA 3.32Å; R152-N194 WeakPolarHBondContact O-CB 3.46Å; R152-C195 PolarHBondContact N-O 3.08Å; R152-C195 PolarHBondContact O-N 3.16Å
153D97.2Very high94.4Very high52 Ų5240.8 Ų40.828%0.27821%0.208SC..EExtended strand (participates in β ladder)trans-131.2104163.4-164.812000109.2L111 F112 D155 T156 N194L111-D153 HydrophobicContact CD2-CB 3.8Å; F112-D153 HydrophobicContact CE2-CB 3.7Å; F112-D153 HydrophobicContact CZ-CB 3.46Å; F112-D153 VanDerWaalsContact CZ-CB 3.46Å; D153-D155 PolarHBondContact O-N 3.11Å; D153-T156 PolarHBondContact N-O 2.78Å; D153-T156 PolarHBondContact O-N 3.48Å; D153-N194 HydrophobicContact CB-CB 4.32Å
154V94.1Very high94.4Very high71 Ų7140 Ų4043%0.4321%0.211SC..THydrogen-bonded Turntrans53-98.9-175.4-1690000111.6R152 K193R152-V154 PolarHBondContact NE-O 2.87Å; R152-V154 PolarHBondContact NH2-O 3.11Å; V154-K193 HydrophobicContact CG2-CG 4.4Å; V154-K193 PolarHBondContact N-O 2.88Å
155D94.5Very high94.7Very high96 Ų9639.1 Ų39.151%0.51321%0.214SC..THydrogen-bonded Turntrans-106.95.7-178.5-65.6-28.8000113D153 T174 P175D153-D155 PolarHBondContact O-N 3.11Å; D155-T174 WeakPolarHBondContact O-CA 3.45Å; D155-P175 HydrophobicContact CB-CG 4.13Å; D155-P175 WeakPolarHBondContact O-CD 3.44Å
156T96.9Very high94.9Very high70 Ų7042.2 Ų42.243%0.42922%0.221SC..EExtended strand (participates in β ladder)trans-103.3125.9176.3-56.30000110.1F112 R152 D153F112-T156 HydrophobicContact CE1-CG2 4.13Å; F112-T156 HydrophobicContact CE2-CG2 4.22Å; F112-T156 HydrophobicContact CZ-CG2 3.67Å; R152-T156 CarbonylContact C-O 3.5Å; R152-T156 WeakPolarHBondContact CA-O 3.24Å; D153-T156 PolarHBondContact N-O 2.78Å; D153-T156 PolarHBondContact O-N 3.48Å
157Y97.9Very high95Very high2 Ų240.8 Ų40.81%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-122.9140.1-178.5-69.5-109.3000110.4M150 H151 R152 G172 E173 P175 T181 F188M150-Y157 HydrophobicContact CE-CE1 4.39Å; M150-Y157 HydrophobicContact CG-CD1 4.23Å; M150-Y157 HydrophobicContact SD-CD1 3.87Å; M150-Y157 HydrophobicContact SD-CE1 4.03Å; H151-Y157 CarbonylContact O-C 3.59Å; H151-Y157 WeakPolarHBondContact O-CA 3.41Å; R152-Y157 HydrophobicContact CB-CD1 4.15Å; R152-Y157 HydrophobicContact CB-CE1 4.1Å; R152-Y157 VanDerWaalsContact CD-CZ 3.45Å; R152-Y157 WeakPolarHBondContact CD-OH 3.45Å; R152-Y157 HydrophobicContact CG-CD1 4.14Å; R152-Y157 HydrophobicContact CG-CD2 4.45Å; R152-Y157 HydrophobicContact CG-CE1 3.74Å; R152-Y157 HydrophobicContact CG-CE2 4.05Å; R152-Y157 HydrophobicContact CG-CG 4.49Å; R152-Y157 PolarHBondContact NE-OH 2.74Å; Y157-G172 WeakPolarHBondContact CB-O 3.47Å; Y157-E173 PolarHBondContact N-O 2.78Å; Y157-E173 WeakPolarHBondContact O-CA 3.48Å; Y157-P175 HydrophobicContact CE2-CG 4.13Å; Y157-T181 HydrophobicContact CD1-CG2 3.84Å; Y157-T181 HydrophobicContact CD2-CG2 3.45Å; Y157-T181 VanDerWaalsContact CD2-CG2 3.45Å; Y157-T181 HydrophobicContact CE1-CG2 4.11Å; Y157-T181 HydrophobicContact CE2-CG2 3.78Å; Y157-T181 HydrophobicContact CG-CG2 3.49Å; Y157-T181 VanDerWaalsContact CG-CG2 3.49Å; Y157-F188 HydrophobicContact CE1-CE2 4.04Å; Y157-F188 HydrophobicContact CE1-CZ 4.47Å
158K97.8Very high95Very high57 Ų5738.7 Ų38.725%0.24821%0.206CC..EExtended strand (participates in β ladder)trans-131.8145.6166.4-68.1-164.8172.5-1240111.3F112 M150 H151 F160 E166 S168F112-K158 HydrophobicContact CB-CD 3.89Å; F112-K158 HydrophobicContact CD1-CB 3.89Å; F112-K158 HydrophobicContact CD1-CD 3.79Å; F112-K158 HydrophobicContact CD1-CG 3.65Å; F112-K158 HydrophobicContact CE1-CB 4.4Å; F112-K158 HydrophobicContact CE1-CG 4.14Å; F112-K158 HydrophobicContact CG-CD 4.09Å; F112-K158 HydrophobicContact CG-CG 4.42Å; M150-K158 CarbonylContact C-O 3.57Å; M150-K158 WeakPolarHBondContact CA-O 3.28Å; H151-K158 HydrophobicContact CB-CB 4.45Å; H151-K158 PolarHBondContact N-O 3.13Å; H151-K158 PolarHBondContact O-N 2.82Å; K158-F160 HydrophobicContact CB-CE2 3.83Å; K158-F160 HydrophobicContact CB-CZ 3.82Å; K158-F160 HydrophobicContact CD-CE1 4.43Å; K158-F160 HydrophobicContact CD-CE2 4.4Å; K158-F160 HydrophobicContact CD-CZ 3.69Å; K158-F160 HydrophobicContact CG-CZ 4.43Å; K158-E166 WeakPolarHBondContact CD-OE1 3.43Å; K158-E166 WeakPolarHBondContact CE-OE1 3.29Å; K158-E166 IonicContact NZ-OE1 3.48Å; K158-E166 PolarHBondContact NZ-OE1 2.92Å; K158-E166 IonicContact NZ-OE2 2.66Å; K158-E166 PolarHBondContact NZ-OE2 3.15Å; K158-S168 VanDerWaalsContact CA-OG 3.3Å; K158-S168 WeakPolarHBondContact CA-OG 3.43Å
159Y97.7Very high94.8Very high0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-125.3122.9-178.2-63.8-95.2000109.6V148 Q149 M150 E166 F167 S168 Y171 G172 L180 T181V148-Y159 HydrophobicContact CG1-CD1 3.81Å; V148-Y159 HydrophobicContact CG1-CG 4.45Å; Q149-Y159 CarbonylContact O-C 3.56Å; Q149-Y159 WeakPolarHBondContact O-CA 3.45Å; M150-Y159 HydrophobicContact CB-CD1 4.07Å; M150-Y159 HydrophobicContact CB-CE1 3.93Å; M150-Y159 HydrophobicContact CG-CD1 4Å; M150-Y159 HydrophobicContact CG-CE1 3.49Å; M150-Y159 VanDerWaalsContact CG-CE1 3.49Å; M150-Y159 HydrophobicContact SD-CE1 4.06Å; Y159-E166 CarbonylContact O-C 3.52Å; Y159-E166 WeakPolarHBondContact O-CA 3.48Å; Y159-F167 PolarHBondContact O-N 3.04Å; Y159-S168 PolarHBondContact N-OG 3.32Å; Y159-Y171 AromaticContact CD1-CD2 3.87Å; Y159-Y171 HydrophobicContact CD1-CD2 3.87Å; Y159-Y171 HydrophobicContact CD1-CG 4.23Å; Y159-Y171 HydrophobicContact CD2-CD2 4.28Å; Y159-Y171 HydrophobicContact CD2-CG 4.45Å; Y159-Y171 AromaticContact CG-CD2 3.66Å; Y159-Y171 HydrophobicContact CG-CD2 3.66Å; Y159-Y171 HydrophobicContact CG-CG 4.16Å; Y159-G172 WeakPolarHBondContact CE2-O 3.47Å; Y159-L180 HydrophobicContact CE1-CD2 3.89Å; Y159-T181 VanDerWaalsContact CE2-OG1 3.32Å; Y159-T181 WeakPolarHBondContact CE2-OG1 3.3Å; Y159-T181 PolarHBondContact OH-OG1 3.13Å
160F96.6Very high94.6Very high4 Ų444.7 Ų44.72%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-119.5130.9-179.2-56.7-71.3000110.6F112 P114 V148 Q149 H151 K158 G165 E166F112-F160 WeakPolarHBondContact O-CZ 3.32Å; P114-F160 HydrophobicContact CB-CB 3.78Å; P114-F160 HydrophobicContact CB-CD1 3.72Å; P114-F160 HydrophobicContact CB-CD2 4.01Å; P114-F160 HydrophobicContact CB-CE1 4.26Å; P114-F160 HydrophobicContact CB-CG 3.57Å; P114-F160 HydrophobicContact CG-CD1 4.06Å; P114-F160 HydrophobicContact CG-CE1 4.22Å; P114-F160 HydrophobicContact CG-CG 4.39Å; V148-F160 CarbonylContact C-O 3.42Å; V148-F160 WeakPolarHBondContact CA-O 3.33Å; Q149-F160 HydrophobicContact CB-CB 4.45Å; Q149-F160 PolarHBondContact N-O 3.04Å; Q149-F160 PolarHBondContact O-N 3.32Å; H151-F160 HydrophobicContact CB-CE2 4.45Å; H151-F160 AromaticContact CD2-CD2 3.51Å; H151-F160 AromaticContact CD2-CE2 3.66Å; H151-F160 AromaticContact CG-CE2 3.91Å; H151-F160 AromaticContact NE2-CD2 3.64Å; H151-F160 AromaticContact NE2-CE2 3.9Å; K158-F160 HydrophobicContact CB-CE2 3.83Å; K158-F160 HydrophobicContact CB-CZ 3.82Å; K158-F160 HydrophobicContact CD-CE1 4.43Å; K158-F160 HydrophobicContact CD-CE2 4.4Å; K158-F160 HydrophobicContact CD-CZ 3.69Å; K158-F160 HydrophobicContact CG-CZ 4.43Å; F160-G165 WeakPolarHBondContact CA-O 3.19Å; F160-E166 HydrophobicContact CD1-CB 4.11Å; F160-E166 HydrophobicContact CD1-CG 4.34Å; F160-E166 HydrophobicContact CE1-CB 4.08Å; F160-E166 HydrophobicContact CE1-CG 4.03Å
161S93.8Very high94.4Very high13 Ų1344.7 Ų44.79%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-70.6169.417262.50000111.9R147 N163 G164 G165R147-S161 WeakPolarHBondContact O-CA 3.43Å; S161-N163 PolarHBondContact O-N 3.09Å; S161-G164 PolarHBondContact O-N 3.23Å; S161-G165 PolarHBondContact N-O 3.15Å; S161-G165 WeakPolarHBondContact OG-CA 3.34Å; S161-G165 PolarHBondContact OG-N 2.84Å; S161-G165 VanDerWaalsContact OG-N 3.11Å; S161-G165 PolarHBondContact OG-O 2.83Å
162R90.7Very high94.3Very high132 Ų13244.7 Ų44.750%0.49825%0.247SC..THydrogen-bonded Turntrans-41.2-34.2171.6-175170.9178.3171.5-0115.8P117 L119 R147P117-R162 WeakPolarHBondContact CD-O 3.44Å; P117-R162 HydrophobicContact CG-CB 4.46Å; P117-R162 HydrophobicContact CG-CG 3.96Å; L119-R162 VanDerWaalsContact CD2-NH2 3.3Å; R147-R162 HydrophobicContact CB-CB 4.19Å; R147-R162 HydrophobicContact CG-CB 4.4Å; R147-R162 PolarHBondContact O-N 3.26Å; R147-R162 VanDerWaalsContact O-N 3.13Å
163N87.1Confident94.2Very high95 Ų9547.7 Ų47.751%0.50826%0.262SS..THydrogen-bonded Turntrans-105.614.9-176.2-55.8-76.8000113.3K65 S161 G165K65-N163 PolarHBondContact NZ-ND2 3Å; K65-N163 PolarHBondContact NZ-OD1 3.12Å; S161-N163 PolarHBondContact O-N 3.09Å; N163-G165 VanDerWaalsContact C-N 3.34Å; N163-G165 PolarHBondContact O-N 3.14Å
164G89.5Confident94.2Very high20 Ų2047.5 Ų47.521%0.20626%0.263CS..SBendtrans80.15.4179.600000116S161 E166S161-G164 PolarHBondContact O-N 3.23Å; G164-E166 PolarHBondContact O-N 3.16Å
165G91.1Very high94.2Very high33 Ų3344.8 Ų44.834%0.3425%0.246SC..  trans-65.4131.2171.200000110.7F160 S161 N163 F167F160-G165 WeakPolarHBondContact CA-O 3.19Å; S161-G165 PolarHBondContact N-O 3.15Å; S161-G165 WeakPolarHBondContact OG-CA 3.34Å; S161-G165 PolarHBondContact OG-N 2.84Å; S161-G165 VanDerWaalsContact OG-N 3.11Å; S161-G165 PolarHBondContact OG-O 2.83Å; N163-G165 VanDerWaalsContact C-N 3.34Å; N163-G165 PolarHBondContact O-N 3.14Å; G165-F167 VanDerWaalsContact O-CD2 3.24Å; G165-F167 WeakPolarHBondContact O-CD2 3.5Å; G165-F167 WeakPolarHBondContact O-CE2 3.15Å
166E93.8Very high94.1Very high91 Ų9147.4 Ų47.443%0.42526%0.26SS..BIsolated β-bridgetrans-86129.3-178.6-174.2167.9-177.200111.4K158 Y159 F160 G164 S168K158-E166 WeakPolarHBondContact CD-OE1 3.43Å; K158-E166 WeakPolarHBondContact CE-OE1 3.29Å; K158-E166 IonicContact NZ-OE1 3.48Å; K158-E166 PolarHBondContact NZ-OE1 2.92Å; K158-E166 IonicContact NZ-OE2 2.66Å; K158-E166 PolarHBondContact NZ-OE2 3.15Å; Y159-E166 CarbonylContact O-C 3.52Å; Y159-E166 WeakPolarHBondContact O-CA 3.48Å; F160-E166 HydrophobicContact CD1-CB 4.11Å; F160-E166 HydrophobicContact CD1-CG 4.34Å; F160-E166 HydrophobicContact CE1-CB 4.08Å; F160-E166 HydrophobicContact CE1-CG 4.03Å; G164-E166 PolarHBondContact O-N 3.16Å; E166-S168 WeakPolarHBondContact CG-OG 3.33Å; E166-S168 PolarHBondContact OE1-OG 2.66Å
167F93.6Very high93.9Very high48 Ų4848.3 Ų48.321%0.21126%0.259CS..  trans-123.421.4-178.9-69.4-85.5000112.1Y159 G165 S169 T170 Y171 K221Y159-F167 PolarHBondContact O-N 3.04Å; G165-F167 VanDerWaalsContact O-CD2 3.24Å; G165-F167 WeakPolarHBondContact O-CD2 3.5Å; G165-F167 WeakPolarHBondContact O-CE2 3.15Å; F167-S169 VanDerWaalsContact C-N 3.3Å; F167-S169 PolarHBondContact O-N 2.75Å; F167-T170 WeakPolarHBondContact O-CB 3.36Å; F167-T170 PolarHBondContact O-N 2.97Å; F167-T170 VanDerWaalsContact O-N 3.14Å; F167-Y171 HydrophobicContact CB-CD2 3.8Å; F167-Y171 HydrophobicContact CB-CE2 3.64Å; F167-Y171 HydrophobicContact CG-CE2 4.39Å; F167-Y171 WeakPolarHBondContact O-CD2 3.45Å; F167-Y171 PolarHBondContact O-N 2.94Å; F167-Y171 VanDerWaalsContact O-N 3.1Å; F167-K221 HydrophobicContact CD1-CB 4.31Å; F167-K221 HydrophobicContact CD1-CD 4.12Å; F167-K221 HydrophobicContact CD1-CG 3.84Å; F167-K221 HydrophobicContact CE1-CB 4.25Å; F167-K221 HydrophobicContact CE1-CD 3.47Å; F167-K221 VanDerWaalsContact CE1-CD 3.47Å; F167-K221 HydrophobicContact CE1-CG 3.72Å; F167-K221 HydrophobicContact CZ-CD 3.84Å; F167-K221 HydrophobicContact CZ-CG 4.44Å
168S94.3Very high93.5Very high1 Ų149.1 Ų49.11%0.00727%0.268CS..Hα-helixtrans-62.3-35.5-176.6-41.90000112.7K158 Y159 E166 T170 G172 E173K158-S168 VanDerWaalsContact CA-OG 3.3Å; K158-S168 WeakPolarHBondContact CA-OG 3.43Å; Y159-S168 PolarHBondContact N-OG 3.32Å; E166-S168 WeakPolarHBondContact CG-OG 3.33Å; E166-S168 PolarHBondContact OE1-OG 2.66Å; S168-T170 VanDerWaalsContact C-N 3.27Å; S168-T170 PolarHBondContact O-N 3.05Å; S168-G172 CarbonylContact O-C 3.59Å; S168-G172 VanDerWaalsContact O-C 3.23Å; S168-G172 VanDerWaalsContact O-CA 3.23Å; S168-G172 WeakPolarHBondContact O-CA 3.44Å; S168-G172 PolarHBondContact O-N 3.11Å; S168-E173 VanDerWaalsContact CB-CG 3.44Å; S168-E173 PolarHBondContact O-N 2.91Å
169S92.6Very high93.3Very high95 Ų9546.7 Ų46.766%0.66426%0.258SS*.Hα-helixtrans-65-29.5176.357.10000113.2F167F167-S169 VanDerWaalsContact C-N 3.3Å; F167-S169 PolarHBondContact O-N 2.75Å
170T92.2Very high93.2Very high37 Ų3746.7 Ų46.723%0.22726%0.258CS..Hα-helixtrans-77-59.2175.4-620000110.9F167 S168 G178 S179 K221F167-T170 WeakPolarHBondContact O-CB 3.36Å; F167-T170 PolarHBondContact O-N 2.97Å; F167-T170 VanDerWaalsContact O-N 3.14Å; S168-T170 VanDerWaalsContact C-N 3.27Å; S168-T170 PolarHBondContact O-N 3.05Å; T170-G178 WeakPolarHBondContact O-CA 3.37Å; T170-S179 PolarHBondContact O-N 3.13Å; T170-S179 PolarHBondContact O-OG 2.82Å; T170-K221 WeakPolarHBondContact CG2-O 3.3Å
171Y94.8Very high93.2Very high0 Ų046.5 Ų46.50%026%0.257CS..Hα-helixtrans-78.3-28.1-170.6-62.2-53.5000112.8V148 Y159 F167 G178 S179 L180 T181 M201 P231V148-Y171 HydrophobicContact CG2-CE2 4.28Å; Y159-Y171 AromaticContact CD1-CD2 3.87Å; Y159-Y171 HydrophobicContact CD1-CD2 3.87Å; Y159-Y171 HydrophobicContact CD1-CG 4.23Å; Y159-Y171 HydrophobicContact CD2-CD2 4.28Å; Y159-Y171 HydrophobicContact CD2-CG 4.45Å; Y159-Y171 AromaticContact CG-CD2 3.66Å; Y159-Y171 HydrophobicContact CG-CD2 3.66Å; Y159-Y171 HydrophobicContact CG-CG 4.16Å; F167-Y171 HydrophobicContact CB-CD2 3.8Å; F167-Y171 HydrophobicContact CB-CE2 3.64Å; F167-Y171 HydrophobicContact CG-CE2 4.39Å; F167-Y171 WeakPolarHBondContact O-CD2 3.45Å; F167-Y171 PolarHBondContact O-N 2.94Å; F167-Y171 VanDerWaalsContact O-N 3.1Å; Y171-G178 CarbonylContact O-C 3.58Å; Y171-G178 WeakPolarHBondContact O-CA 3.23Å; Y171-S179 PolarHBondContact O-N 2.99Å; Y171-L180 HydrophobicContact CD1-CB 4.34Å; Y171-L180 PolarHBondContact O-N 2.98Å; Y171-T181 PolarHBondContact O-N 2.87Å; Y171-T181 PolarHBondContact O-OG1 3.04Å; Y171-M201 HydrophobicContact CD1-CE 3.92Å; Y171-M201 HydrophobicContact CD2-CE 4.3Å; Y171-M201 HydrophobicContact CE1-CE 3.77Å; Y171-M201 HydrophobicContact CE1-CG 3.88Å; Y171-M201 HydrophobicContact CE1-SD 4.15Å; Y171-M201 HydrophobicContact CE2-CE 4.14Å; Y171-M201 HydrophobicContact CG-CE 4.2Å; Y171-P231 HydrophobicContact CD1-CB 4.39Å; Y171-P231 HydrophobicContact CE1-CB 4.13Å
172G95.4Very high93.2Very high0 Ų048.9 Ų48.90%027%0.267CS..  trans123120.2172.100000112.8Y157 Y159 S168 T174 Q177 T181Y157-G172 WeakPolarHBondContact CB-O 3.47Å; Y159-G172 WeakPolarHBondContact CE2-O 3.47Å; S168-G172 CarbonylContact O-C 3.59Å; S168-G172 VanDerWaalsContact O-C 3.23Å; S168-G172 VanDerWaalsContact O-CA 3.23Å; S168-G172 WeakPolarHBondContact O-CA 3.44Å; S168-G172 PolarHBondContact O-N 3.11Å; G172-T174 VanDerWaalsContact C-N 3.3Å; G172-Q177 WeakPolarHBondContact CA-O 3.4Å; G172-T181 WeakPolarHBondContact CA-OG1 3.44Å; G172-T181 WeakPolarHBondContact O-CB 3.49Å; G172-T181 PolarHBondContact O-OG1 3.06Å
173E96.7Very high93.4Very high85 Ų8546 Ų4640%0.39726%0.256SS..SBendtrans-76.7-19176.9-67.7166.6-132.400113.4Y157 S168Y157-E173 PolarHBondContact N-O 2.78Å; Y157-E173 WeakPolarHBondContact O-CA 3.48Å; S168-E173 VanDerWaalsContact CB-CG 3.44Å; S168-E173 PolarHBondContact O-N 2.91Å
174T96.6Very high93.8Very high48 Ų4841.4 Ų41.429%0.29423%0.232SC..SBendtrans-139.1161.9-179.572.20000110.5D155 G172 L176 Q177 T181D155-T174 WeakPolarHBondContact O-CA 3.45Å; G172-T174 VanDerWaalsContact C-N 3.3Å; T174-L176 PolarHBondContact O-N 3.46Å; T174-L176 PolarHBondContact OG1-N 2.87Å; T174-Q177 PolarHBondContact O-N 2.82Å; T174-T181 WeakPolarHBondContact O-CG2 3.2Å
175P94.5Very high93.7Very high13 Ų1345.2 Ų45.28%0.08424%0.244CC..THydrogen-bonded Turntrans-641.7176-23.432.6000116.5D155 Y157 Q182 Q185D155-P175 HydrophobicContact CB-CG 4.13Å; D155-P175 WeakPolarHBondContact O-CD 3.44Å; Y157-P175 HydrophobicContact CE2-CG 4.13Å; P175-Q182 WeakPolarHBondContact O-CA 3.49Å; P175-Q185 HydrophobicContact CB-CG 3.52Å; P175-Q185 HydrophobicContact CG-CG 4.3Å; P175-Q185 PolarHBondContact O-NE2 2.74Å
176L93Very high93.7Very high152 Ų15250.2 Ų50.280%0.79626%0.263SS*.THydrogen-bonded Turntrans-103.4-6.9-179-58178.6000112.8T174T174-L176 PolarHBondContact O-N 3.46Å; T174-L176 PolarHBondContact OG1-N 2.87Å
177Q91.6Very high93.8Very high89 Ų8945.9 Ų45.942%0.41624%0.243SC..SBendtrans-145.9171.9-171.467.8-178.38.100113.2G172 T174G172-Q177 WeakPolarHBondContact CA-O 3.4Å; T174-Q177 PolarHBondContact O-N 2.82Å
178G90.7Very high94Very high19 Ų1944.4 Ų44.420%0.19624%0.237CC..THydrogen-bonded Turntrans84.3167.5174.700000114.5T170 Y171 L180 Q182 S225T170-G178 WeakPolarHBondContact O-CA 3.37Å; Y171-G178 CarbonylContact O-C 3.58Å; Y171-G178 WeakPolarHBondContact O-CA 3.23Å; G178-L180 VanDerWaalsContact C-N 3.29Å; G178-L180 PolarHBondContact O-N 2.66Å; G178-Q182 PolarHBondContact O-NE2 2.8Å; G178-S225 PolarHBondContact O-OG 3.01Å
179S92.7Very high94.1Very high5 Ų546.2 Ų46.24%0.03525%0.249CC..THydrogen-bonded Turntrans-76.5-12.6-175.455.80000114.4T170 Y171 L223 P231T170-S179 PolarHBondContact O-N 3.13Å; T170-S179 PolarHBondContact O-OG 2.82Å; Y171-S179 PolarHBondContact O-N 2.99Å; S179-L223 WeakPolarHBondContact CB-O 3.1Å; S179-P231 WeakPolarHBondContact O-CG 3.28Å
180L95.3Very high94.2Very high0 Ų047.1 Ų47.10%026%0.263CS..THydrogen-bonded Turntrans-129.3-55-175178.865.7000113.5Y159 Y171 G178 Q182 Y183 L184 M201 P231 Y268Y159-L180 HydrophobicContact CE1-CD2 3.89Å; Y171-L180 HydrophobicContact CD1-CB 4.34Å; Y171-L180 PolarHBondContact O-N 2.98Å; G178-L180 VanDerWaalsContact C-N 3.29Å; G178-L180 PolarHBondContact O-N 2.66Å; L180-Q182 VanDerWaalsContact C-N 3.26Å; L180-Q182 PolarHBondContact O-N 2.95Å; L180-Q182 VanDerWaalsContact O-N 3.12Å; L180-Y183 WeakPolarHBondContact O-CB 3.44Å; L180-Y183 WeakPolarHBondContact O-CD2 3.48Å; L180-Y183 PolarHBondContact O-N 2.97Å; L180-L184 HydrophobicContact CD1-CD1 4.35Å; L180-L184 HydrophobicContact CD1-CD2 4.03Å; L180-L184 HydrophobicContact CD1-CG 4.3Å; L180-L184 HydrophobicContact CD2-CD1 4.15Å; L180-L184 HydrophobicContact CG-CD1 3.88Å; L180-L184 HydrophobicContact CG-CD2 4.41Å; L180-L184 HydrophobicContact CG-CG 4.16Å; L180-M201 HydrophobicContact CD2-CE 3.39Å; L180-M201 HydrophobicContact CD2-SD 4.1Å; L180-P231 HydrophobicContact CB-CG 4.26Å; L180-Y268 HydrophobicContact CD1-CD1 4.35Å; L180-Y268 WeakPolarHBondContact CD1-O 3.33Å
181T96.4Very high94.3Very high0 Ų048.8 Ų48.80%028%0.275CS..G310 helixtrans-56.6-36.7-165.9-54.70000113.7Y157 Y159 Y171 G172 T174 Y183 L184Y157-T181 HydrophobicContact CD1-CG2 3.84Å; Y157-T181 HydrophobicContact CD2-CG2 3.45Å; Y157-T181 VanDerWaalsContact CD2-CG2 3.45Å; Y157-T181 HydrophobicContact CE1-CG2 4.11Å; Y157-T181 HydrophobicContact CE2-CG2 3.78Å; Y157-T181 HydrophobicContact CG-CG2 3.49Å; Y157-T181 VanDerWaalsContact CG-CG2 3.49Å; Y159-T181 VanDerWaalsContact CE2-OG1 3.32Å; Y159-T181 WeakPolarHBondContact CE2-OG1 3.3Å; Y159-T181 PolarHBondContact OH-OG1 3.13Å; Y171-T181 PolarHBondContact O-N 2.87Å; Y171-T181 PolarHBondContact O-OG1 3.04Å; G172-T181 WeakPolarHBondContact CA-OG1 3.44Å; G172-T181 WeakPolarHBondContact O-CB 3.49Å; G172-T181 PolarHBondContact O-OG1 3.06Å; T174-T181 WeakPolarHBondContact O-CG2 3.2Å; T181-Y183 PolarHBondContact O-N 2.95Å; T181-Y183 VanDerWaalsContact O-N 3.08Å; T181-L184 PolarHBondContact O-N 2.88Å
182Q94.7Very high94.4Very high64 Ų6449.2 Ų49.230%0.29928%0.278SS..G310 helixtrans-57-24.8177.666.9177.1-52.700113.8P175 G178 L180 S225P175-Q182 WeakPolarHBondContact O-CA 3.49Å; G178-Q182 PolarHBondContact O-NE2 2.8Å; L180-Q182 VanDerWaalsContact C-N 3.26Å; L180-Q182 PolarHBondContact O-N 2.95Å; L180-Q182 VanDerWaalsContact O-N 3.12Å; Q182-S225 PolarHBondContact NE2-OG 2.71Å
183Y95.2Very high94.4Very high70 Ų7054.1 Ų54.128%0.27530%0.299SS..G310 helixtrans-92.3-9.7179.3-52.7-71.1000113.3L180 T181 Y268L180-Y183 WeakPolarHBondContact O-CB 3.44Å; L180-Y183 WeakPolarHBondContact O-CD2 3.48Å; L180-Y183 PolarHBondContact O-N 2.97Å; T181-Y183 PolarHBondContact O-N 2.95Å; T181-Y183 VanDerWaalsContact O-N 3.08Å; Y183-Y268 HydrophobicContact CD1-CD2 4.32Å; Y183-Y268 HydrophobicContact CD1-CE1 4.19Å; Y183-Y268 AromaticContact CD1-CE2 3.75Å; Y183-Y268 HydrophobicContact CD1-CE2 3.75Å; Y183-Y268 AromaticContact CD1-CZ 3.67Å; Y183-Y268 AromaticContact CD2-CD1 3.47Å; Y183-Y268 HydrophobicContact CD2-CD1 3.47Å; Y183-Y268 VanDerWaalsContact CD2-CD1 3.47Å; Y183-Y268 HydrophobicContact CD2-CD2 4.36Å; Y183-Y268 AromaticContact CD2-CE1 3.16Å; Y183-Y268 HydrophobicContact CD2-CE1 3.16Å; Y183-Y268 HydrophobicContact CD2-CE2 4.14Å; Y183-Y268 HydrophobicContact CD2-CG 4.07Å; Y183-Y268 AromaticContact CD2-CZ 3.55Å; Y183-Y268 HydrophobicContact CE1-CE1 4.35Å; Y183-Y268 HydrophobicContact CE1-CE2 4.24Å; Y183-Y268 AromaticContact CE1-CZ 3.78Å; Y183-Y268 WeakPolarHBondContact CE1-OH 3.36Å; Y183-Y268 HydrophobicContact CE2-CD1 4.11Å; Y183-Y268 AromaticContact CE2-CE1 3.35Å; Y183-Y268 HydrophobicContact CE2-CE1 3.35Å; Y183-Y268 AromaticContact CE2-CZ 3.65Å; Y183-Y268 AromaticContact CG-CD1 3.83Å; Y183-Y268 HydrophobicContact CG-CD1 3.83Å; Y183-Y268 AromaticContact CG-CD2 3.87Å; Y183-Y268 HydrophobicContact CG-CD2 3.87Å; Y183-Y268 AromaticContact CG-CE1 3.62Å; Y183-Y268 HydrophobicContact CG-CE1 3.62Å; Y183-Y268 AromaticContact CG-CE2 3.68Å; Y183-Y268 HydrophobicContact CG-CE2 3.68Å; Y183-Y268 AromaticContact CG-CG 3.96Å; Y183-Y268 HydrophobicContact CG-CG 3.96Å; Y183-Y268 AromaticContact CG-CZ 3.54Å; Y183-Y268 AromaticContact CZ-CE1 3.96Å; Y183-Y268 AromaticContact CZ-CZ 3.76Å
184L95.9Very high94.5Very high0 Ų050.1 Ų50.10%028%0.281CS..  trans-94.11-172.5-56-169.7000114.7M150 L180 T181 N186 A187 F188 L269M150-L184 HydrophobicContact SD-CD1 4.22Å; L180-L184 HydrophobicContact CD1-CD1 4.35Å; L180-L184 HydrophobicContact CD1-CD2 4.03Å; L180-L184 HydrophobicContact CD1-CG 4.3Å; L180-L184 HydrophobicContact CD2-CD1 4.15Å; L180-L184 HydrophobicContact CG-CD1 3.88Å; L180-L184 HydrophobicContact CG-CD2 4.41Å; L180-L184 HydrophobicContact CG-CG 4.16Å; T181-L184 PolarHBondContact O-N 2.88Å; L184-N186 VanDerWaalsContact C-N 3.25Å; L184-N186 PolarHBondContact O-N 3.38Å; L184-A187 HydrophobicContact CB-CB 4.42Å; L184-A187 VanDerWaalsContact O-CB 3.23Å; L184-A187 WeakPolarHBondContact O-CB 3.24Å; L184-A187 PolarHBondContact O-N 2.73Å; L184-F188 HydrophobicContact CB-CE2 4.29Å; L184-L269 HydrophobicContact CD1-CD1 4.14Å; L184-L269 HydrophobicContact CD2-CB 3.8Å; L184-L269 HydrophobicContact CD2-CD1 3.73Å; L184-L269 HydrophobicContact CD2-CG 4.43Å; L184-L269 HydrophobicContact CG-CD1 4.49Å
185Q87.4Confident94.6Very high100 Ų10047.9 Ų47.947%0.46727%0.267SS..G310 helixtrans-51.2-44.7-176.3-73-178.91000113P175P175-Q185 HydrophobicContact CB-CG 3.52Å; P175-Q185 HydrophobicContact CG-CG 4.3Å; P175-Q185 PolarHBondContact O-NE2 2.74Å
186N90.6Very high94.7Very high137 Ų13747.3 Ų47.373%0.73326%0.263SS*.G310 helixtrans-92.22.8-176-62.3-36.6000113.3L184 F188L184-N186 VanDerWaalsContact C-N 3.25Å; L184-N186 PolarHBondContact O-N 3.38Å; N186-F188 VanDerWaalsContact C-N 3.33Å
187A96.5Very high95Very high0 Ų040 Ų400%023%0.225CC..G310 helixtrans-72.2-28.9178.400000111.6L184 V262 R263 V265 L269L184-A187 HydrophobicContact CB-CB 4.42Å; L184-A187 VanDerWaalsContact O-CB 3.23Å; L184-A187 WeakPolarHBondContact O-CB 3.24Å; L184-A187 PolarHBondContact O-N 2.73Å; A187-V262 CarbonylContact O-C 3.42Å; A187-V262 VanDerWaalsContact O-CA 3.29Å; A187-V262 WeakPolarHBondContact O-CA 3.43Å; A187-R263 PolarHBondContact O-N 3.36Å; A187-V265 HydrophobicContact CB-CG2 3.71Å; A187-L269 HydrophobicContact CB-CD1 4.21Å
188F97Very high95.3Very high18 Ų1835.8 Ų35.88%0.07921%0.206CC..BIsolated β-bridgetrans-99.2137.1-174-58-85.3000111.8M150 Y157 L184 N186 V192 L197 V261 V262M150-F188 HydrophobicContact CE-CE1 3.93Å; M150-F188 HydrophobicContact CE-CE2 4.45Å; M150-F188 HydrophobicContact CE-CZ 3.43Å; M150-F188 VanDerWaalsContact CE-CZ 3.43Å; M150-F188 HydrophobicContact SD-CZ 4.26Å; Y157-F188 HydrophobicContact CE1-CE2 4.04Å; Y157-F188 HydrophobicContact CE1-CZ 4.47Å; L184-F188 HydrophobicContact CB-CE2 4.29Å; N186-F188 VanDerWaalsContact C-N 3.33Å; F188-V192 HydrophobicContact CB-CB 4.35Å; F188-V192 HydrophobicContact CD1-CG1 4.36Å; F188-L197 HydrophobicContact CE1-CD1 4.07Å; F188-L197 HydrophobicContact CZ-CD1 4.28Å; F188-V261 WeakPolarHBondContact CA-O 3.42Å; F188-V262 HydrophobicContact CD1-CG2 4.08Å; F188-V262 HydrophobicContact CE1-CG2 4.01Å
189S95.6Very high95.6Very high38 Ų3834.9 Ų34.927%0.26620%0.196SC..  trans-58.8146.3168.6172.70000110.6S191 V192 V261S189-S191 PolarHBondContact O-N 3.12Å; S189-S191 PolarHBondContact OG-N 3.25Å; S189-S191 PolarHBondContact OG-OG 3.38Å; S189-V192 WeakPolarHBondContact O-CB 3.29Å; S189-V192 WeakPolarHBondContact O-CG2 3.23Å; S189-V192 PolarHBondContact O-N 3.47Å; S189-V261 PolarHBondContact N-O 2.91Å
190A94.6Very high95.8Very high115 Ų11536 Ų3695%0.9520%0.201SC*.THydrogen-bonded Turntrans-56.9-19.4175.700000113.6V192A190-V192 VanDerWaalsContact C-N 3.28Å; A190-V192 PolarHBondContact O-N 3.15Å
191S95.1Very high95.8Very high71 Ų7136 Ų3650%0.49720%0.201SC..THydrogen-bonded Turntrans-76.6-7.8175.362.10000114.3S189 N242S189-S191 PolarHBondContact O-N 3.12Å; S189-S191 PolarHBondContact OG-N 3.25Å; S189-S191 PolarHBondContact OG-OG 3.38Å; S191-N242 PolarHBondContact O-ND2 3.28Å; S191-N242 PolarHBondContact O-OD1 3.19Å
192V96.6Very high95.6Very high9 Ų936.2 Ų36.26%0.05520%0.202CC..  trans-93.6104.9-176-174.20000110.6R152 F188 S189 A190 C195 L241 V261R152-V192 PolarHBondContact NH1-O 3.22Å; F188-V192 HydrophobicContact CB-CB 4.35Å; F188-V192 HydrophobicContact CD1-CG1 4.36Å; S189-V192 WeakPolarHBondContact O-CB 3.29Å; S189-V192 WeakPolarHBondContact O-CG2 3.23Å; S189-V192 PolarHBondContact O-N 3.47Å; A190-V192 VanDerWaalsContact C-N 3.28Å; A190-V192 PolarHBondContact O-N 3.15Å; V192-C195 HydrophobicContact CG1-CB 4.18Å; V192-L241 HydrophobicContact CG1-CD1 3.97Å; V192-L241 HydrophobicContact CG2-CD1 4.18Å; V192-V261 HydrophobicContact CG2-CB 3.62Å; V192-V261 HydrophobicContact CG2-CG1 4.26Å; V192-V261 HydrophobicContact CG2-CG2 4.3Å
193K96.4Very high95.5Very high103 Ų10333.3 Ų33.345%0.44819%0.189SC..SBendtrans-75.9-57.4170.4178.6-172.6167.3-159.80110.4V154 N242 D243V154-K193 HydrophobicContact CG2-CG 4.4Å; V154-K193 PolarHBondContact N-O 2.88Å; K193-N242 PolarHBondContact N-OD1 3.07Å; K193-D243 IonicContact NZ-OD1 2.78Å; K193-D243 IonicContact NZ-OD2 2.92Å; K193-D243 PolarHBondContact NZ-OD2 3.45Å
194N97.8Very high95.4Very high1 Ų131.7 Ų31.71%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-141.7154.5179.655.142.1000111.9L111 R152 D153 Y240 L241 N242 D243L111-N194 HydrophobicContact CD2-CB 3.84Å; R152-N194 CarbonylContact O-C 3.51Å; R152-N194 WeakPolarHBondContact O-CA 3.32Å; R152-N194 WeakPolarHBondContact O-CB 3.46Å; D153-N194 HydrophobicContact CB-CB 4.32Å; N194-Y240 VanDerWaalsContact OD1-CE1 3.31Å; N194-Y240 WeakPolarHBondContact OD1-CE1 3.47Å; N194-L241 WeakPolarHBondContact O-CA 3.37Å; N194-N242 PolarHBondContact O-N 3.03Å; N194-N242 WeakPolarHBondContact OD1-CA 3.37Å; N194-N242 PolarHBondContact OD1-N 2.75Å; N194-N242 VanDerWaalsContact OD1-N 3.1Å; N194-D243 PolarHBondContact ND2-OD1 3.47Å; N194-D243 PolarHBondContact OD1-N 2.88Å
195C98.1Very high95.2Very high2 Ų232.9 Ų32.91%0.01419%0.189CC..EExtended strand (participates in β ladder)trans-158162177.164.60000112.7R152 V192 L238 Y240 L241R152-C195 PolarHBondContact N-O 3.08Å; R152-C195 PolarHBondContact O-N 3.16Å; V192-C195 HydrophobicContact CG1-CB 4.18Å; C195-L238 HydrophobicContact CB-CD1 4.07Å; C195-Y240 CarbonylContact C-O 3.56Å; C195-Y240 WeakPolarHBondContact CA-O 3.36Å; C195-Y240 VanDerWaalsContact CB-O 3.28Å; C195-Y240 WeakPolarHBondContact CB-O 3.41Å; C195-L241 HydrophobicContact CB-CD1 4.41Å
196I98.3Very high95.2Very high0 Ų031.6 Ų31.60%018%0.18CC..EExtended strand (participates in β ladder)trans-123.8120.1168.1-62.7174.3000107.5L109 L111 F115 M150 H151 L239 Y240L109-I196 HydrophobicContact CB-CD1 4.38Å; L111-I196 HydrophobicContact CD1-CD1 4.38Å; L111-I196 HydrophobicContact CD1-CG1 3.94Å; F115-I196 HydrophobicContact CE1-CG2 3.8Å; F115-I196 HydrophobicContact CZ-CG2 3.91Å; M150-I196 WeakPolarHBondContact O-CA 3.3Å; H151-I196 VanDerWaalsContact CE1-CD1 3.45Å; H151-I196 WeakPolarHBondContact CE1-CD1 3.16Å; H151-I196 WeakPolarHBondContact ND1-CD1 3.39Å; I196-L239 HydrophobicContact CB-CB 4.38Å; I196-L239 HydrophobicContact CG2-CB 4.2Å; I196-L239 HydrophobicContact CG2-CD1 4.45Å; I196-L239 PolarHBondContact O-N 3.46Å; I196-Y240 HydrophobicContact CD1-CD2 4.42Å; I196-Y240 HydrophobicContact CD1-CG 4.09Å; I196-Y240 HydrophobicContact CG1-CG 4.22Å; I196-Y240 PolarHBondContact N-O 3.35Å
197L98.2Very high95.2Very high0 Ų031.2 Ų31.20%018%0.176CC..EExtended strand (participates in β ladder)trans-106146.7174.9-56.2-172.4000110.3Q149 M150 F188 Y233 I235 L238 L258 V262Q149-L197 WeakPolarHBondContact CA-O 3.36Å; M150-L197 HydrophobicContact CB-CB 4.41Å; M150-L197 HydrophobicContact CE-CB 4.35Å; M150-L197 HydrophobicContact CE-CD1 3.5Å; M150-L197 VanDerWaalsContact CE-CD1 3.5Å; M150-L197 HydrophobicContact CE-CG 3.76Å; M150-L197 PolarHBondContact N-O 3.14Å; M150-L197 PolarHBondContact O-N 2.68Å; F188-L197 HydrophobicContact CE1-CD1 4.07Å; F188-L197 HydrophobicContact CZ-CD1 4.28Å; L197-Y233 HydrophobicContact CB-CE1 4.07Å; L197-Y233 HydrophobicContact CD1-CE1 4.3Å; L197-Y233 PolarHBondContact O-OH 2.9Å; L197-I235 HydrophobicContact CB-CG1 4.48Å; L197-I235 HydrophobicContact CB-CG2 4.15Å; L197-I235 HydrophobicContact CD1-CD1 3.5Å; L197-I235 HydrophobicContact CD1-CG1 3.97Å; L197-I235 HydrophobicContact CD1-CG2 4.3Å; L197-I235 HydrophobicContact CD2-CG2 4.37Å; L197-L238 HydrophobicContact CD2-CB 4.39Å; L197-L238 HydrophobicContact CD2-CD1 3.44Å; L197-L238 VanDerWaalsContact CD2-CD1 3.44Å; L197-L258 HydrophobicContact CD2-CD1 3.97Å; L197-V262 HydrophobicContact CD1-CG2 4.44Å; L197-V262 HydrophobicContact CD2-CG2 4.46Å
198D98Very high94.8Very high0 Ų036.5 Ų36.50%021%0.205CC..EExtended strand (participates in β ladder)trans-118.9129.4171.6-161.46.4000108.8R147 F236 D237 L239 Y302R147-D198 IonicContact CZ-OD1 3.53Å; R147-D198 IonicContact CZ-OD2 3.68Å; R147-D198 IonicContact NE-OD1 3.88Å; R147-D198 PolarHBondContact NE-OD1 3.3Å; R147-D198 IonicContact NE-OD2 2.75Å; R147-D198 VanDerWaalsContact NH2-CG 3.27Å; R147-D198 IonicContact NH2-OD1 3.58Å; R147-D198 PolarHBondContact NH2-OD1 2.88Å; R147-D198 IonicContact NH2-OD2 3.85Å; R147-D198 PolarHBondContact NH2-OD2 3.31Å; D198-F236 VanDerWaalsContact C-CZ 3.41Å; D198-F236 HydrophobicContact CB-CE2 3.78Å; D198-F236 HydrophobicContact CB-CZ 4.22Å; D198-F236 WeakPolarHBondContact O-CE2 3.48Å; D198-F236 PolarHBondContact O-N 2.89Å; D198-D237 HydrophobicContact CB-CB 3.99Å; D198-D237 PolarHBondContact N-O 2.87Å; D198-D237 VanDerWaalsContact N-O 3.08Å; D198-D237 PolarHBondContact O-N 3.02Å; D198-L239 HydrophobicContact CB-CD1 3.83Å; D198-L239 HydrophobicContact CB-CG 4.42Å; D198-Y302 WeakPolarHBondContact OD2-CE2 3.34Å; D198-Y302 PolarHBondContact OD2-OH 3.11Å
199G97.3Very high94.5Very high0 Ų040 Ų400%022%0.22CC..EExtended strand (participates in β ladder)trans-163174.2-169.400000113.4R147 V148 Y233 V234R147-G199 WeakPolarHBondContact CD-O 3.49Å; V148-G199 PolarHBondContact N-O 2.88Å; V148-G199 PolarHBondContact O-N 2.86Å; V148-G199 VanDerWaalsContact O-N 3.14Å; G199-Y233 PolarHBondContact N-OH 3.42Å; G199-V234 CarbonylContact C-O 3.23Å; G199-V234 WeakPolarHBondContact CA-O 3.37Å
200E95.8Very high94.1Very high27 Ų2740.9 Ų40.913%0.12623%0.225CC..EExtended strand (participates in β ladder)trans-109.6131.4174.7-149.171.1-164.900109.1F143 G145 E146 R147 I202 V234 F236F143-E200 HydrophobicContact CB-CB 4.2Å; F143-E200 HydrophobicContact CB-CG 4.15Å; G145-E200 VanDerWaalsContact C-OE1 3.24Å; E146-E200 VanDerWaalsContact C-OE1 3.29Å; R147-E200 WeakPolarHBondContact CA-OE2 3.32Å; R147-E200 WeakPolarHBondContact CD-OE2 3.05Å; R147-E200 PolarHBondContact N-OE1 3.07Å; R147-E200 IonicContact NH1-OE2 3.6Å; E200-I202 HydrophobicContact CB-CG1 4.39Å; E200-I202 HydrophobicContact CG-CG1 4.4Å; E200-V234 PolarHBondContact N-O 3.14Å; E200-V234 PolarHBondContact O-N 3.28Å; E200-F236 HydrophobicContact CB-CE1 4.45Å
201M95.4Very high93.9Very high0 Ų038 Ų380%019%0.192CC..EExtended strand (participates in β ladder)trans-90.8122.3171.8-165.86671.100109.6G145 E146 V148 Y171 L180 V220 P231 Y233G145-M201 CarbonylContact C-O 3.53Å; G145-M201 VanDerWaalsContact CA-O 3.29Å; G145-M201 WeakPolarHBondContact CA-O 3.33Å; E146-M201 HydrophobicContact CB-CB 4.48Å; E146-M201 PolarHBondContact N-O 3.48Å; E146-M201 WeakPolarHBondContact O-CB 3.41Å; E146-M201 PolarHBondContact O-N 3.37Å; V148-M201 HydrophobicContact CG2-CB 3.98Å; Y171-M201 HydrophobicContact CD1-CE 3.92Å; Y171-M201 HydrophobicContact CD2-CE 4.3Å; Y171-M201 HydrophobicContact CE1-CE 3.77Å; Y171-M201 HydrophobicContact CE1-CG 3.88Å; Y171-M201 HydrophobicContact CE1-SD 4.15Å; Y171-M201 HydrophobicContact CE2-CE 4.14Å; Y171-M201 HydrophobicContact CG-CE 4.2Å; L180-M201 HydrophobicContact CD2-CE 3.39Å; L180-M201 HydrophobicContact CD2-SD 4.1Å; M201-V220 HydrophobicContact CB-CG2 4.3Å; M201-V220 HydrophobicContact CG-CB 4.11Å; M201-V220 HydrophobicContact CG-CG2 3.99Å; M201-P231 HydrophobicContact CG-CB 4.23Å; M201-P231 HydrophobicContact SD-CB 3.75Å; M201-Y233 HydrophobicContact CE-CD2 4.03Å; M201-Y233 HydrophobicContact CE-CG 4.22Å
202I92.9Very high93.4Very high5 Ų535.1 Ų35.13%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-129.8149.4-176.1-43.4171.9000108.8F143 E200 F211 C232 V234F143-I202 HydrophobicContact CB-CD1 3.44Å; F143-I202 VanDerWaalsContact CB-CD1 3.44Å; F143-I202 HydrophobicContact CB-CG1 4.33Å; F143-I202 HydrophobicContact CD1-CD1 3.32Å; F143-I202 HydrophobicContact CE1-CD1 4.26Å; F143-I202 HydrophobicContact CG-CD1 3.54Å; E200-I202 HydrophobicContact CB-CG1 4.39Å; E200-I202 HydrophobicContact CG-CG1 4.4Å; I202-F211 HydrophobicContact CB-CD1 4.05Å; I202-F211 HydrophobicContact CD1-CD1 4.02Å; I202-F211 HydrophobicContact CD1-CE1 4.14Å; I202-F211 HydrophobicContact CD1-CG 4.46Å; I202-F211 HydrophobicContact CG2-CB 4.12Å; I202-F211 HydrophobicContact CG2-CD1 3.92Å; I202-F211 HydrophobicContact CG2-CG 4.32Å; I202-C232 PolarHBondContact N-O 3.37Å; I202-C232 PolarHBondContact O-N 3.15Å; I202-V234 HydrophobicContact CD1-CB 4.31Å; I202-V234 HydrophobicContact CD1-CG2 3.56Å; I202-V234 HydrophobicContact CG1-CG2 4.26Å
203G92.3Very high92.3Very high3 Ų338 Ų383%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-67136.816700000110.5F211 A212 N230G203-F211 CarbonylContact O-C 3.57Å; G203-F211 WeakPolarHBondContact O-CA 3.39Å; G203-A212 PolarHBondContact O-N 3.21Å; G203-N230 CarbonylContact C-O 3.59Å; G203-N230 WeakPolarHBondContact CA-O 3.17Å
204W92.9Very high90.8Very high36 Ų3639.2 Ų39.214%0.13620%0.195CC..EExtended strand (participates in β ladder)trans-119.1116.5173.2177-94.5000110.1R206 K209 F211 I229 N230 C232 D267W204-R206 PolarHBondContact O-N 3.38Å; W204-K209 VanDerWaalsContact CH2-O 3.29Å; W204-K209 WeakPolarHBondContact CH2-O 3.25Å; W204-K209 VanDerWaalsContact CZ2-C 3.46Å; W204-K209 HydrophobicContact CZ2-CB 4.16Å; W204-K209 HydrophobicContact CZ2-CD 4.17Å; W204-F211 AromaticContact CE3-CD1 3.56Å; W204-F211 HydrophobicContact CE3-CD1 3.56Å; W204-F211 AromaticContact CE3-CE1 3.56Å; W204-F211 HydrophobicContact CE3-CE1 3.56Å; W204-F211 HydrophobicContact CE3-CG 4.07Å; W204-F211 HydrophobicContact CE3-CZ 4.08Å; W204-F211 HydrophobicContact CZ3-CD1 4.06Å; W204-F211 HydrophobicContact CZ3-CD2 4.26Å; W204-F211 AromaticContact CZ3-CE1 3.9Å; W204-F211 HydrophobicContact CZ3-CE1 3.9Å; W204-F211 HydrophobicContact CZ3-CE2 4.12Å; W204-F211 HydrophobicContact CZ3-CG 4.23Å; W204-F211 AromaticContact CZ3-CZ 3.93Å; W204-F211 HydrophobicContact CZ3-CZ 3.93Å; W204-I229 CarbonylContact O-C 3.59Å; W204-I229 VanDerWaalsContact O-CA 3.25Å; W204-I229 WeakPolarHBondContact O-CA 3.17Å; W204-N230 PolarHBondContact N-O 3.43Å; W204-N230 PolarHBondContact O-N 3.42Å; W204-C232 HydrophobicContact CB-CB 3.6Å; W204-C232 HydrophobicContact CG-CB 4.42Å; W204-D267 HydrophobicContact CG-CB 4.47Å; W204-D267 VanDerWaalsContact NE1-CG 3.31Å; W204-D267 PolarHBondContact NE1-OD1 3.45Å
205N91.5Very high89Confident25 Ų2541.8 Ų41.813%0.13422%0.221CC..EExtended strand (participates in β ladder)trans-80.1112.3177.1-178.3-24.2000109.3I207 D208 K209 C210 I229N205-I207 VanDerWaalsContact C-N 3.28Å; N205-I207 PolarHBondContact O-N 3.42Å; N205-I207 WeakPolarHBondContact OD1-CB 3.24Å; N205-I207 PolarHBondContact OD1-N 3.33Å; N205-D208 PolarHBondContact ND2-OD2 3.18Å; N205-D208 PolarHBondContact OD1-N 3.04Å; N205-D208 VanDerWaalsContact OD1-N 3.13Å; N205-K209 VanDerWaalsContact O-CA 3.28Å; N205-K209 WeakPolarHBondContact O-CA 3.43Å; N205-K209 PolarHBondContact O-N 3.04Å; N205-C210 PolarHBondContact N-O 3.16Å; N205-C210 PolarHBondContact O-N 2.89Å; N205-I229 HydrophobicContact CB-CG1 4.45Å
206R89.2Confident87.7Confident74 Ų7445.8 Ų45.828%0.27924%0.243SC..THydrogen-bonded Turntrans-69.3-23.3-178-64.3-166.6-62-111.40.6114.1W204 K209 G226 D227 T228 N230W204-R206 PolarHBondContact O-N 3.38Å; R206-K209 VanDerWaalsContact O-CE 3.31Å; R206-K209 WeakPolarHBondContact O-CE 3.04Å; R206-G226 PolarHBondContact NH2-O 3.32Å; R206-D227 PolarHBondContact NH1-O 2.76Å; R206-D227 PolarHBondContact NH2-O 2.74Å; R206-T228 PolarHBondContact N-O 2.86Å; R206-T228 VanDerWaalsContact N-O 3.12Å; R206-N230 VanDerWaalsContact CD-ND2 3.33Å; R206-N230 WeakPolarHBondContact CD-ND2 3.22Å; R206-N230 VanDerWaalsContact NH1-CG 3.34Å; R206-N230 PolarHBondContact NH1-ND2 3.29Å; R206-N230 PolarHBondContact NH1-OD1 3.21Å
207I89.1Confident86.3Confident128 Ų12854 Ų5466%0.65628%0.281SS*.THydrogen-bonded Turntrans-79.6-52.8-178.8-61.9176000109.3N205 K209 T228N205-I207 VanDerWaalsContact C-N 3.28Å; N205-I207 PolarHBondContact O-N 3.42Å; N205-I207 WeakPolarHBondContact OD1-CB 3.24Å; N205-I207 PolarHBondContact OD1-N 3.33Å; I207-K209 VanDerWaalsContact C-N 3.29Å; I207-T228 HydrophobicContact CD1-CG2 3.49Å; I207-T228 VanDerWaalsContact CD1-CG2 3.49Å; I207-T228 HydrophobicContact CG1-CG2 3.84Å
208D88.4Confident85.3Confident112 Ų11256 Ų5660%0.59929%0.293SS*.THydrogen-bonded Turntrans-84.3-8.3-176.4-59.7-43000112.7N205 C210N205-D208 PolarHBondContact ND2-OD2 3.18Å; N205-D208 PolarHBondContact OD1-N 3.04Å; N205-D208 VanDerWaalsContact OD1-N 3.13Å; D208-C210 VanDerWaalsContact C-N 3.26Å; D208-C210 PolarHBondContact O-N 3.29Å
209K90.1Very high84.5Confident91 Ų9159.7 Ų59.740%0.39631%0.313SS..THydrogen-bonded Turntrans51.646.2-179-66.2-71.9-177.4167.70111.9W204 N205 R206 I207 E266 D267W204-K209 VanDerWaalsContact CH2-O 3.29Å; W204-K209 WeakPolarHBondContact CH2-O 3.25Å; W204-K209 VanDerWaalsContact CZ2-C 3.46Å; W204-K209 HydrophobicContact CZ2-CB 4.16Å; W204-K209 HydrophobicContact CZ2-CD 4.17Å; N205-K209 VanDerWaalsContact O-CA 3.28Å; N205-K209 WeakPolarHBondContact O-CA 3.43Å; N205-K209 PolarHBondContact O-N 3.04Å; R206-K209 VanDerWaalsContact O-CE 3.31Å; R206-K209 WeakPolarHBondContact O-CE 3.04Å; I207-K209 VanDerWaalsContact C-N 3.29Å; K209-E266 IonicContact NZ-OE1 3.26Å; K209-E266 PolarHBondContact NZ-OE1 3.29Å; K209-D267 VanDerWaalsContact NZ-CG 3.26Å; K209-D267 IonicContact NZ-OD1 2.62Å; K209-D267 PolarHBondContact NZ-OD1 2.59Å; K209-D267 IonicContact NZ-OD2 4Å; K209-D267 PolarHBondContact NZ-OD2 3.02Å
210C88.7Confident83.6Confident56 Ų5660.1 Ų60.138%0.37832%0.315SS..EExtended strand (participates in β ladder)trans-139.7160.5-179.871.50000111.5N205 D208N205-C210 PolarHBondContact N-O 3.16Å; N205-C210 PolarHBondContact O-N 2.89Å; D208-C210 VanDerWaalsContact C-N 3.26Å; D208-C210 PolarHBondContact O-N 3.29Å
211F89Confident82.8Confident56 Ų5661.2 Ų61.225%0.24632%0.319CS..EExtended strand (participates in β ladder)trans-65.9136.9169.7-66.2-63.5000110.4F143 I202 G203 W204 C232 V234F143-F211 HydrophobicContact CD1-CE2 4.43Å; F143-F211 HydrophobicContact CE1-CD2 4.15Å; F143-F211 AromaticContact CE1-CE2 3.73Å; F143-F211 HydrophobicContact CE1-CE2 3.73Å; F143-F211 HydrophobicContact CE1-CZ 4.24Å; I202-F211 HydrophobicContact CB-CD1 4.05Å; I202-F211 HydrophobicContact CD1-CD1 4.02Å; I202-F211 HydrophobicContact CD1-CE1 4.14Å; I202-F211 HydrophobicContact CD1-CG 4.46Å; I202-F211 HydrophobicContact CG2-CB 4.12Å; I202-F211 HydrophobicContact CG2-CD1 3.92Å; I202-F211 HydrophobicContact CG2-CG 4.32Å; G203-F211 CarbonylContact O-C 3.57Å; G203-F211 WeakPolarHBondContact O-CA 3.39Å; W204-F211 AromaticContact CE3-CD1 3.56Å; W204-F211 HydrophobicContact CE3-CD1 3.56Å; W204-F211 AromaticContact CE3-CE1 3.56Å; W204-F211 HydrophobicContact CE3-CE1 3.56Å; W204-F211 HydrophobicContact CE3-CG 4.07Å; W204-F211 HydrophobicContact CE3-CZ 4.08Å; W204-F211 HydrophobicContact CZ3-CD1 4.06Å; W204-F211 HydrophobicContact CZ3-CD2 4.26Å; W204-F211 AromaticContact CZ3-CE1 3.9Å; W204-F211 HydrophobicContact CZ3-CE1 3.9Å; W204-F211 HydrophobicContact CZ3-CE2 4.12Å; W204-F211 HydrophobicContact CZ3-CG 4.23Å; W204-F211 AromaticContact CZ3-CZ 3.93Å; W204-F211 HydrophobicContact CZ3-CZ 3.93Å; F211-C232 HydrophobicContact CE1-CB 4.43Å; F211-V234 HydrophobicContact CE1-CG2 3.77Å; F211-V234 HydrophobicContact CZ-CG2 3.8Å
212A84.8Confident82Confident9 Ų965.3 Ų65.37%0.07435%0.347CS..PPolyproline II helixtrans-65.5138.3168.200000108.8G203 D216 V218 I229G203-A212 PolarHBondContact O-N 3.21Å; A212-D216 WeakPolarHBondContact CA-OD2 3.3Å; A212-D216 HydrophobicContact CB-CB 4.29Å; A212-V218 HydrophobicContact CB-CG2 3.97Å; A212-I229 HydrophobicContact CB-CD1 4.39Å; A212-I229 HydrophobicContact CB-CG2 4.36Å
213T73.3Confident81.4Confident70 Ų7066.1 Ų66.143%0.42935%0.352SS..PPolyproline II helixtrans-93.9164.3179.165.80000110.3G215 D216T213-G215 PolarHBondContact O-N 2.73Å; T213-D216 PolarHBondContact N-OD2 2.94Å; T213-D216 WeakPolarHBondContact O-CB 3.49Å; T213-D216 PolarHBondContact O-N 3.49Å; T213-D216 PolarHBondContact OG1-OD2 2.87Å
214K64.8Low80.7Confident128 Ų12875 Ų7556%0.55738%0.384SS*.G310 helixtrans-50.3-29.5173.4-114.5-176.2-162.91220113.7D144 D216 H217D144-K214 VanDerWaalsContact CG-CE 3.47Å; D144-K214 WeakPolarHBondContact OD1-CE 3.01Å; D144-K214 IonicContact OD1-NZ 2.82Å; D144-K214 PolarHBondContact OD1-NZ 2.77Å; D144-K214 WeakPolarHBondContact OD2-CD 3.35Å; D144-K214 WeakPolarHBondContact OD2-CE 3.1Å; D144-K214 WeakPolarHBondContact OD2-CG 3.3Å; D144-K214 IonicContact OD2-NZ 3.59Å; D144-K214 PolarHBondContact OD2-NZ 2.8Å; K214-D216 PolarHBondContact O-N 3.4Å; K214-H217 PolarHBondContact O-N 3.11Å
215G60.5Low79.8Confident55 Ų5576.1 Ų76.157%0.56740%0.397SS*.G310 helixtrans-66.9-20.4177.800000114.1T213 H217T213-G215 PolarHBondContact O-N 2.73Å; G215-H217 PolarHBondContact O-CD2 3.2Å; G215-H217 PolarHBondContact O-N 3.17Å
216D70.3Confident79Confident86 Ų8677.5 Ų77.546%0.4642%0.417SS..G310 helixtrans-80-5.6179.7-58.7-41.4000112.3A212 T213 K214 V218A212-D216 WeakPolarHBondContact CA-OD2 3.3Å; A212-D216 HydrophobicContact CB-CB 4.29Å; T213-D216 PolarHBondContact N-OD2 2.94Å; T213-D216 WeakPolarHBondContact O-CB 3.49Å; T213-D216 PolarHBondContact O-N 3.49Å; T213-D216 PolarHBondContact OG1-OD2 2.87Å; K214-D216 PolarHBondContact O-N 3.4Å; D216-V218 HydrophobicContact CB-CG2 3.75Å; D216-V218 PolarHBondContact O-N 3.04Å; D216-V218 VanDerWaalsContact O-N 3.1Å
217H70.8Confident78.7Confident172 Ų17277 Ų7780%0.79642%0.42SS*.  trans50.135.1179.6-65.9-70.3000113.7K214 G215 D219K214-H217 PolarHBondContact O-N 3.11Å; G215-H217 PolarHBondContact O-CD2 3.2Å; G215-H217 PolarHBondContact O-N 3.17Å; H217-D219 PolarHBondContact O-N 2.86Å
218V75.9Confident78.6Confident42 Ų4274.4 Ų74.426%0.25541%0.41SS..  trans-77.3112.5-178178.50000109.9A212 D216 V220 L223 I229A212-V218 HydrophobicContact CB-CG2 3.97Å; D216-V218 HydrophobicContact CB-CG2 3.75Å; D216-V218 PolarHBondContact O-N 3.04Å; D216-V218 VanDerWaalsContact O-N 3.1Å; V218-V220 HydrophobicContact CG1-CG1 4.09Å; V218-V220 PolarHBondContact O-N 2.79Å; V218-L223 HydrophobicContact CG1-CD1 3.82Å; V218-L223 HydrophobicContact CG1-CD2 4.01Å; V218-L223 HydrophobicContact CG1-CG 4.13Å; V218-I229 HydrophobicContact CG1-CG2 4.08Å; V218-I229 HydrophobicContact CG2-CD1 3.55Å; V218-I229 HydrophobicContact CG2-CG2 4.34Å
219D81.2Confident78.7Confident79 Ų7970.6 Ų70.642%0.42239%0.39SS..  trans-84.597.5162.8-175.32.7000109.4H217 K221 C222 L223H217-D219 PolarHBondContact O-N 2.86Å; D219-K221 PolarHBondContact O-N 3.31Å; D219-K221 VanDerWaalsContact OD1-CB 3.31Å; D219-K221 WeakPolarHBondContact OD1-CB 3.32Å; D219-K221 PolarHBondContact OD1-N 3.45Å; D219-C222 HydrophobicContact CB-CB 4.27Å; D219-C222 PolarHBondContact O-N 2.72Å; D219-C222 PolarHBondContact OD2-SG 2.85Å; D219-L223 PolarHBondContact O-N 3.02Å
220V78.9Confident78.8Confident8 Ų866.3 Ų66.35%0.04837%0.371CS..THydrogen-bonded Turntrans-56.7-21.8179.5-64.20000113.2E146 M201 V218 C222 L223E146-V220 HydrophobicContact CB-CG2 4.16Å; E146-V220 HydrophobicContact CG-CG2 3.93Å; M201-V220 HydrophobicContact CB-CG2 4.3Å; M201-V220 HydrophobicContact CG-CB 4.11Å; M201-V220 HydrophobicContact CG-CG2 3.99Å; V218-V220 HydrophobicContact CG1-CG1 4.09Å; V218-V220 PolarHBondContact O-N 2.79Å; V220-C222 VanDerWaalsContact C-N 3.29Å; V220-L223 HydrophobicContact CB-CD1 4.35Å; V220-L223 HydrophobicContact CG1-CD1 4.25Å
221K78.4Confident79.1Confident50 Ų5063.7 Ų63.722%0.21735%0.353CS..THydrogen-bonded Turntrans-77.4-16.2177.8-62.2156.8179.2157.20112.8E146 F167 T170 D219E146-K221 IonicContact OE1-NZ 2.84Å; E146-K221 IonicContact OE2-NZ 2.77Å; E146-K221 PolarHBondContact OE2-NZ 3.19Å; F167-K221 HydrophobicContact CD1-CB 4.31Å; F167-K221 HydrophobicContact CD1-CD 4.12Å; F167-K221 HydrophobicContact CD1-CG 3.84Å; F167-K221 HydrophobicContact CE1-CB 4.25Å; F167-K221 HydrophobicContact CE1-CD 3.47Å; F167-K221 VanDerWaalsContact CE1-CD 3.47Å; F167-K221 HydrophobicContact CE1-CG 3.72Å; F167-K221 HydrophobicContact CZ-CD 3.84Å; F167-K221 HydrophobicContact CZ-CG 4.44Å; T170-K221 WeakPolarHBondContact CG2-O 3.3Å; D219-K221 PolarHBondContact O-N 3.31Å; D219-K221 VanDerWaalsContact OD1-CB 3.31Å; D219-K221 WeakPolarHBondContact OD1-CB 3.32Å; D219-K221 PolarHBondContact OD1-N 3.45Å
222C79.1Confident79.4Confident86 Ų8661 Ų6158%0.58134%0.341SS*.THydrogen-bonded Turntrans-104.8-6.3-179.4-69.60000113.5D219 V220D219-C222 HydrophobicContact CB-CB 4.27Å; D219-C222 PolarHBondContact O-N 2.72Å; D219-C222 PolarHBondContact OD2-SG 2.85Å; V220-C222 VanDerWaalsContact C-N 3.29Å
223L80.3Confident80Confident23 Ų2360.6 Ų60.612%0.1234%0.338CS..  trans-65.3138.2179.7-67.4178000111.9S179 V218 D219 V220 I229 P231S179-L223 WeakPolarHBondContact CB-O 3.1Å; V218-L223 HydrophobicContact CG1-CD1 3.82Å; V218-L223 HydrophobicContact CG1-CD2 4.01Å; V218-L223 HydrophobicContact CG1-CG 4.13Å; D219-L223 PolarHBondContact O-N 3.02Å; V220-L223 HydrophobicContact CB-CD1 4.35Å; V220-L223 HydrophobicContact CG1-CD1 4.25Å; L223-I229 HydrophobicContact CD1-CG2 4.08Å; L223-I229 HydrophobicContact CD2-CB 4.4Å; L223-P231 HydrophobicContact CD1-CB 4.47Å
224R77.1Confident81.1Confident190 Ų19057.2 Ų57.272%0.71732%0.317SS*.  trans-114.7152.9-179.6-60.2-179.7-177.1-174.90.1110.7G226 D227R224-G226 PolarHBondContact O-N 3.43Å; R224-D227 PolarHBondContact N-OD2 3.36Å; R224-D227 WeakPolarHBondContact O-CB 3.48Å; R224-D227 PolarHBondContact O-N 2.75Å; R224-D227 VanDerWaalsContact O-N 3.14Å
225S73.7Confident82.7Confident59 Ų5951.1 Ų51.141%0.41329%0.291SS..THydrogen-bonded Turntrans-57.4123172.6-57.40000110.3G178 Q182G178-S225 PolarHBondContact O-OG 3.01Å; Q182-S225 PolarHBondContact NE2-OG 2.71Å
226G74.8Confident84.4Confident53 Ų5349.1 Ų49.155%0.54627%0.266SS..THydrogen-bonded Turntrans109.2-20.6-178.600000114.4R206 R224R206-G226 PolarHBondContact NH2-O 3.32Å; R224-G226 PolarHBondContact O-N 3.43Å
227D83.2Confident85.8Confident65 Ų6545 Ų4535%0.34824%0.244SC..SBendtrans-58.7148.1176.3-68.3-15000111.2R206 R224 I229R206-D227 PolarHBondContact NH1-O 2.76Å; R206-D227 PolarHBondContact NH2-O 2.74Å; R224-D227 PolarHBondContact N-OD2 3.36Å; R224-D227 WeakPolarHBondContact O-CB 3.48Å; R224-D227 PolarHBondContact O-N 2.75Å; R224-D227 VanDerWaalsContact O-N 3.14Å; D227-I229 PolarHBondContact O-N 2.91Å; D227-I229 VanDerWaalsContact O-N 3.1Å
228T88.1Confident87Confident72 Ų7236.8 Ų36.844%0.44221%0.207SC..SBendtrans-54.6-31.3178-56.40000112.6R206 I207R206-T228 PolarHBondContact N-O 2.86Å; R206-T228 VanDerWaalsContact N-O 3.12Å; I207-T228 HydrophobicContact CD1-CG2 3.49Å; I207-T228 VanDerWaalsContact CD1-CG2 3.49Å; I207-T228 HydrophobicContact CG1-CG2 3.84Å
229I90.9Very high88.1Confident33 Ų3334.8 Ų34.817%0.16919%0.194CC..EExtended strand (participates in β ladder)trans-106.8123.8178.2-57.2179.1000108.4W204 N205 A212 V218 L223 D227W204-I229 CarbonylContact O-C 3.59Å; W204-I229 VanDerWaalsContact O-CA 3.25Å; W204-I229 WeakPolarHBondContact O-CA 3.17Å; N205-I229 HydrophobicContact CB-CG1 4.45Å; A212-I229 HydrophobicContact CB-CD1 4.39Å; A212-I229 HydrophobicContact CB-CG2 4.36Å; V218-I229 HydrophobicContact CG1-CG2 4.08Å; V218-I229 HydrophobicContact CG2-CD1 3.55Å; V218-I229 HydrophobicContact CG2-CG2 4.34Å; L223-I229 HydrophobicContact CD1-CG2 4.08Å; L223-I229 HydrophobicContact CD2-CB 4.4Å; D227-I229 PolarHBondContact O-N 2.91Å; D227-I229 VanDerWaalsContact O-N 3.1Å
230N91.9Very high88.9Confident1 Ų132.6 Ų32.61%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-97.8154.3173.9-76.4-20.5000111.2G203 W204 R206 C232 Y268G203-N230 CarbonylContact C-O 3.59Å; G203-N230 WeakPolarHBondContact CA-O 3.17Å; W204-N230 PolarHBondContact N-O 3.43Å; W204-N230 PolarHBondContact O-N 3.42Å; R206-N230 VanDerWaalsContact CD-ND2 3.33Å; R206-N230 WeakPolarHBondContact CD-ND2 3.22Å; R206-N230 VanDerWaalsContact NH1-CG 3.34Å; R206-N230 PolarHBondContact NH1-ND2 3.29Å; R206-N230 PolarHBondContact NH1-OD1 3.21Å; N230-C232 PolarHBondContact O-N 3.49Å; N230-Y268 HydrophobicContact CB-CD1 4.32Å; N230-Y268 HydrophobicContact CB-CE1 3.95Å; N230-Y268 WeakPolarHBondContact ND2-CE1 3.48Å; N230-Y268 PolarHBondContact ND2-OH 2.89Å
231P93.8Very high89.8Confident0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-67.5126.7159.329.8-32000109.3Y171 S179 L180 M201 L223Y171-P231 HydrophobicContact CD1-CB 4.39Å; Y171-P231 HydrophobicContact CE1-CB 4.13Å; S179-P231 WeakPolarHBondContact O-CG 3.28Å; L180-P231 HydrophobicContact CB-CG 4.26Å; M201-P231 HydrophobicContact CG-CB 4.23Å; M201-P231 HydrophobicContact SD-CB 3.75Å; L223-P231 HydrophobicContact CD1-CB 4.47Å
232C95.2Very high90.7Very high0 Ų033.6 Ų33.60%019%0.188CC..EExtended strand (participates in β ladder)trans-117.9126.9172.9176.20000109.3I202 W204 F211 N230 Y268I202-C232 PolarHBondContact N-O 3.37Å; I202-C232 PolarHBondContact O-N 3.15Å; W204-C232 HydrophobicContact CB-CB 3.6Å; W204-C232 HydrophobicContact CG-CB 4.42Å; F211-C232 HydrophobicContact CE1-CB 4.43Å; N230-C232 PolarHBondContact O-N 3.49Å; C232-Y268 WeakPolarHBondContact CA-O 3.42Å
233Y97.5Very high91.5Very high0 Ų033.8 Ų33.80%018%0.183CC..EExtended strand (participates in β ladder)trans-95.1109.6-178.8-170.5-143.3000110.9V148 M150 L197 G199 M201 I235 Y268 L269 V270V148-Y233 HydrophobicContact CB-CE2 4.16Å; V148-Y233 HydrophobicContact CG1-CE2 4.36Å; V148-Y233 WeakPolarHBondContact O-CE2 3.16Å; V148-Y233 PolarHBondContact O-OH 3.23Å; M150-Y233 HydrophobicContact CB-CE1 3.73Å; M150-Y233 PolarHBondContact N-OH 2.57Å; M150-Y233 HydrophobicContact SD-CE1 4.35Å; L197-Y233 HydrophobicContact CB-CE1 4.07Å; L197-Y233 HydrophobicContact CD1-CE1 4.3Å; L197-Y233 PolarHBondContact O-OH 2.9Å; G199-Y233 PolarHBondContact N-OH 3.42Å; M201-Y233 HydrophobicContact CE-CD2 4.03Å; M201-Y233 HydrophobicContact CE-CG 4.22Å; Y233-I235 HydrophobicContact CD1-CD1 3.88Å; Y233-I235 HydrophobicContact CD1-CG1 3.51Å; Y233-I235 HydrophobicContact CE1-CD1 4.07Å; Y233-I235 HydrophobicContact CE1-CG1 3.45Å; Y233-I235 VanDerWaalsContact CE1-CG1 3.45Å; Y233-I235 HydrophobicContact CG-CG1 4.13Å; Y233-Y268 PolarHBondContact N-O 2.65Å; Y233-L269 WeakPolarHBondContact O-CA 3.3Å; Y233-V270 PolarHBondContact O-N 2.03Å
234V97.3Very high92.2Very high0 Ų036.4 Ų36.40%020%0.2CC..EExtended strand (participates in β ladder)trans-93.8103.5177.2-173.20000109.4F143 G199 E200 I202 F211 V270 A272F143-V234 HydrophobicContact CD2-CB 4.47Å; F143-V234 HydrophobicContact CD2-CG1 3.84Å; F143-V234 HydrophobicContact CE1-CG1 4.41Å; F143-V234 HydrophobicContact CE2-CG1 3.52Å; F143-V234 HydrophobicContact CG-CG1 4.43Å; F143-V234 HydrophobicContact CZ-CG1 3.83Å; G199-V234 CarbonylContact C-O 3.23Å; G199-V234 WeakPolarHBondContact CA-O 3.37Å; E200-V234 PolarHBondContact N-O 3.14Å; E200-V234 PolarHBondContact O-N 3.28Å; I202-V234 HydrophobicContact CD1-CB 4.31Å; I202-V234 HydrophobicContact CD1-CG2 3.56Å; I202-V234 HydrophobicContact CG1-CG2 4.26Å; F211-V234 HydrophobicContact CE1-CG2 3.77Å; F211-V234 HydrophobicContact CZ-CG2 3.8Å; V234-V270 CarbonylContact C-O 3.46Å; V234-V270 VanDerWaalsContact CA-O 3.31Å; V234-V270 WeakPolarHBondContact CA-O 3.25Å; V234-V270 HydrophobicContact CG2-CB 4.43Å; V234-A272 HydrophobicContact CG1-CB 4.19Å
235I97.9Very high93Very high0 Ų029.8 Ų29.80%018%0.177CC..EExtended strand (participates in β ladder)trans-89.7133.7-175.2-59.4146.8000109.9L197 Y233 L258 V262 L269 V270 I271 A272L197-I235 HydrophobicContact CB-CG1 4.48Å; L197-I235 HydrophobicContact CB-CG2 4.15Å; L197-I235 HydrophobicContact CD1-CD1 3.5Å; L197-I235 HydrophobicContact CD1-CG1 3.97Å; L197-I235 HydrophobicContact CD1-CG2 4.3Å; L197-I235 HydrophobicContact CD2-CG2 4.37Å; Y233-I235 HydrophobicContact CD1-CD1 3.88Å; Y233-I235 HydrophobicContact CD1-CG1 3.51Å; Y233-I235 HydrophobicContact CE1-CD1 4.07Å; Y233-I235 HydrophobicContact CE1-CG1 3.45Å; Y233-I235 VanDerWaalsContact CE1-CG1 3.45Å; Y233-I235 HydrophobicContact CG-CG1 4.13Å; I235-L258 HydrophobicContact CG2-CD1 3.85Å; I235-L258 HydrophobicContact CG2-CD2 3.87Å; I235-V262 HydrophobicContact CD1-CG1 4.34Å; I235-L269 HydrophobicContact CD1-CD1 3.55Å; I235-L269 HydrophobicContact CD1-CD2 3.77Å; I235-L269 HydrophobicContact CD1-CG 3.59Å; I235-V270 PolarHBondContact N-O 3.18Å; I235-I271 WeakPolarHBondContact O-CA 3.3Å; I235-A272 PolarHBondContact O-N 3.18Å
236F97.2Very high94.1Very high12 Ų1227.1 Ų27.15%0.05316%0.158CC..EExtended strand (participates in β ladder)trans-127.3-0.1176.254.6-109000113.4E140 R147 D198 E200 L255 A272E140-F236 WeakPolarHBondContact OE2-CB 2.97Å; R147-F236 VanDerWaalsContact NH2-CZ 3.28Å; D198-F236 VanDerWaalsContact C-CZ 3.41Å; D198-F236 HydrophobicContact CB-CE2 3.78Å; D198-F236 HydrophobicContact CB-CZ 4.22Å; D198-F236 WeakPolarHBondContact O-CE2 3.48Å; D198-F236 PolarHBondContact O-N 2.89Å; E200-F236 HydrophobicContact CB-CE1 4.45Å; F236-L255 WeakPolarHBondContact O-CD2 2.81Å; F236-A272 HydrophobicContact CB-CB 3.75Å
237D97.8Very high95Very high0 Ų025.4 Ų25.40%014%0.137CC..EExtended strand (participates in β ladder)trans-152154.4175-138.6-40.2000113.3D198 L239 R254 Y302 Y315D198-D237 HydrophobicContact CB-CB 3.99Å; D198-D237 PolarHBondContact N-O 2.87Å; D198-D237 VanDerWaalsContact N-O 3.08Å; D198-D237 PolarHBondContact O-N 3.02Å; D237-L239 HydrophobicContact CB-CD2 4.11Å; D237-R254 IonicContact OD1-CZ 2.65Å; D237-R254 IonicContact OD1-NE 3.09Å; D237-R254 PolarHBondContact OD1-NE 2.88Å; D237-R254 IonicContact OD1-NH2 3.56Å; D237-R254 IonicContact OD2-CZ 2.85Å; D237-R254 IonicContact OD2-NE 3.56Å; D237-R254 PolarHBondContact OD2-NE 3.38Å; D237-R254 IonicContact OD2-NH2 2.72Å; D237-R254 PolarHBondContact OD2-NH2 3.08Å; D237-Y302 WeakPolarHBondContact OD2-CD2 3.42Å; D237-Y315 PolarHBondContact OD2-OH 3.28Å
238L98Very high95.4Very high0 Ų026.2 Ų26.20%015%0.148CC..EExtended strand (participates in β ladder)trans-126.3116.3174173.671.3000108.4C195 L197 Y240 L241 L246 R257 L258 V261C195-L238 HydrophobicContact CB-CD1 4.07Å; L197-L238 HydrophobicContact CD2-CB 4.39Å; L197-L238 HydrophobicContact CD2-CD1 3.44Å; L197-L238 VanDerWaalsContact CD2-CD1 3.44Å; L238-Y240 WeakPolarHBondContact CD1-O 3.21Å; L238-L241 HydrophobicContact CD2-CB 4.37Å; L238-L241 HydrophobicContact CD2-CD2 4.27Å; L238-L246 HydrophobicContact CD2-CD1 3.71Å; L238-L246 HydrophobicContact CG-CD1 3.77Å; L238-R257 HydrophobicContact CD2-CB 3.83Å; L238-L258 HydrophobicContact CB-CB 3.95Å; L238-L258 HydrophobicContact CB-CD1 4.22Å; L238-L258 HydrophobicContact CD2-CB 4.43Å; L238-V261 HydrophobicContact CD2-CG2 4.11Å
239L97.2Very high95.7Very high0 Ų024.5 Ų24.50%014%0.136CC..EExtended strand (participates in β ladder)trans-110.2-20.5-166.6-55.6178.7000113.5L109 F115 I196 D198 D237 L246 T247 Y302L109-L239 HydrophobicContact CD1-CB 4.01Å; F115-L239 HydrophobicContact CE2-CD1 3.67Å; F115-L239 HydrophobicContact CZ-CD1 3.42Å; F115-L239 VanDerWaalsContact CZ-CD1 3.42Å; I196-L239 HydrophobicContact CB-CB 4.38Å; I196-L239 HydrophobicContact CG2-CB 4.2Å; I196-L239 HydrophobicContact CG2-CD1 4.45Å; I196-L239 PolarHBondContact O-N 3.46Å; D198-L239 HydrophobicContact CB-CD1 3.83Å; D198-L239 HydrophobicContact CB-CG 4.42Å; D237-L239 HydrophobicContact CB-CD2 4.11Å; L239-L246 PolarHBondContact O-N 2.89Å; L239-T247 HydrophobicContact CB-CG2 4.41Å; L239-T247 HydrophobicContact CD2-CG2 4.43Å; L239-Y302 HydrophobicContact CD1-CD1 4.37Å; L239-Y302 HydrophobicContact CD1-CD2 4.28Å; L239-Y302 HydrophobicContact CD1-CE1 3.9Å; L239-Y302 HydrophobicContact CD1-CE2 3.76Å; L239-Y302 HydrophobicContact CD2-CD1 4.03Å; L239-Y302 HydrophobicContact CD2-CD2 3.26Å; L239-Y302 HydrophobicContact CD2-CE1 4.32Å; L239-Y302 HydrophobicContact CD2-CE2 3.57Å; L239-Y302 HydrophobicContact CD2-CG 3.49Å; L239-Y302 VanDerWaalsContact CD2-CG 3.49Å; L239-Y302 HydrophobicContact CG-CD2 4.41Å; L239-Y302 HydrophobicContact CG-CE2 4.29Å
240Y97.8Very high95.9Very high32 Ų3224.1 Ų24.113%0.12514%0.136CC..EExtended strand (participates in β ladder)trans-148.4139.3179.7-166.4-90.1000108.8N194 C195 I196 L238 D243 T244 Q245N194-Y240 VanDerWaalsContact OD1-CE1 3.31Å; N194-Y240 WeakPolarHBondContact OD1-CE1 3.47Å; C195-Y240 CarbonylContact C-O 3.56Å; C195-Y240 WeakPolarHBondContact CA-O 3.36Å; C195-Y240 VanDerWaalsContact CB-O 3.28Å; C195-Y240 WeakPolarHBondContact CB-O 3.41Å; I196-Y240 HydrophobicContact CD1-CD2 4.42Å; I196-Y240 HydrophobicContact CD1-CG 4.09Å; I196-Y240 HydrophobicContact CG1-CG 4.22Å; I196-Y240 PolarHBondContact N-O 3.35Å; L238-Y240 WeakPolarHBondContact CD1-O 3.21Å; Y240-D243 VanDerWaalsContact OH-CA 3.29Å; Y240-D243 WeakPolarHBondContact OH-CA 3.29Å; Y240-T244 CarbonylContact C-O 3.47Å; Y240-T244 WeakPolarHBondContact CA-O 3.45Å; Y240-Q245 HydrophobicContact CD2-CB 4.28Å
241L98.1Very high96.1Very high20 Ų2024.1 Ų24.111%0.10514%0.136CC..EExtended strand (participates in β ladder)trans-151.6124.8178.4179.266.2000109.8V192 N194 C195 L238 D243 T244 L246 V261V192-L241 HydrophobicContact CG1-CD1 3.97Å; V192-L241 HydrophobicContact CG2-CD1 4.18Å; N194-L241 WeakPolarHBondContact O-CA 3.37Å; C195-L241 HydrophobicContact CB-CD1 4.41Å; L238-L241 HydrophobicContact CD2-CB 4.37Å; L238-L241 HydrophobicContact CD2-CD2 4.27Å; L241-D243 PolarHBondContact O-N 3.47Å; L241-T244 PolarHBondContact N-O 3.33Å; L241-T244 VanDerWaalsContact O-CB 3.29Å; L241-T244 WeakPolarHBondContact O-CB 3.5Å; L241-T244 PolarHBondContact O-N 2.91Å; L241-L246 HydrophobicContact CB-CD1 4.04Å; L241-V261 HydrophobicContact CD1-CG2 4.26Å; L241-V261 HydrophobicContact CD2-CG1 4.12Å
242N97.3Very high96.2Very high59 Ų5926.2 Ų26.232%0.31615%0.145SC..THydrogen-bonded Turntrans47.362174.5-66.4-11.8000112.9S191 K193 N194 T244S191-N242 PolarHBondContact O-ND2 3.28Å; S191-N242 PolarHBondContact O-OD1 3.19Å; K193-N242 PolarHBondContact N-OD1 3.07Å; N194-N242 PolarHBondContact O-N 3.03Å; N194-N242 WeakPolarHBondContact OD1-CA 3.37Å; N194-N242 PolarHBondContact OD1-N 2.75Å; N194-N242 VanDerWaalsContact OD1-N 3.1Å; N242-T244 PolarHBondContact O-N 3.04Å; N242-T244 VanDerWaalsContact O-N 3.08Å; N242-T244 PolarHBondContact O-OG1 3.31Å
243D96.2Very high96.3Very high90 Ų9029.7 Ų29.748%0.48116%0.161SC..THydrogen-bonded Turntrans64.111178.7-54.9-51.4000114.5K193 N194 Y240 L241K193-D243 IonicContact NZ-OD1 2.78Å; K193-D243 IonicContact NZ-OD2 2.92Å; K193-D243 PolarHBondContact NZ-OD2 3.45Å; N194-D243 PolarHBondContact ND2-OD1 3.47Å; N194-D243 PolarHBondContact OD1-N 2.88Å; Y240-D243 VanDerWaalsContact OH-CA 3.29Å; Y240-D243 WeakPolarHBondContact OH-CA 3.29Å; L241-D243 PolarHBondContact O-N 3.47Å
244T95.6Very high96.3Very high78 Ų7829.7 Ų29.748%0.47916%0.161SC..EExtended strand (participates in β ladder)trans-119.1124.2-177.8-51.50000111.5Y240 L241 N242 L246Y240-T244 CarbonylContact C-O 3.47Å; Y240-T244 WeakPolarHBondContact CA-O 3.45Å; L241-T244 PolarHBondContact N-O 3.33Å; L241-T244 VanDerWaalsContact O-CB 3.29Å; L241-T244 WeakPolarHBondContact O-CB 3.5Å; L241-T244 PolarHBondContact O-N 2.91Å; N242-T244 PolarHBondContact O-N 3.04Å; N242-T244 VanDerWaalsContact O-N 3.08Å; N242-T244 PolarHBondContact O-OG1 3.31Å; T244-L246 HydrophobicContact CG2-CD2 4.24Å
245Q94.6Very high96.3Very high52 Ų5229.7 Ų29.724%0.24316%0.162CC..EExtended strand (participates in β ladder)trans-74.7135.9171.4177168.5-49.600111.4V107 Y240 T247V107-Q245 PolarHBondContact O-NE2 2.98Å; Y240-Q245 HydrophobicContact CD2-CB 4.28Å; Q245-T247 HydrophobicContact CG-CG2 4.07Å; Q245-T247 WeakPolarHBondContact CG-OG1 3.46Å; Q245-T247 PolarHBondContact NE2-OG1 3.49Å
246L95.8Very high96.3Very high2 Ų233.6 Ų33.61%0.0118%0.182CC..  trans-110.8-0.3-176.8-52.1-174.2000113.6L238 L239 L241 T244 S248 L249 R254L238-L246 HydrophobicContact CD2-CD1 3.71Å; L238-L246 HydrophobicContact CG-CD1 3.77Å; L239-L246 PolarHBondContact O-N 2.89Å; L241-L246 HydrophobicContact CB-CD1 4.04Å; T244-L246 HydrophobicContact CG2-CD2 4.24Å; L246-S248 PolarHBondContact O-N 3.5Å; L246-S248 VanDerWaalsContact O-N 3.16Å; L246-L249 HydrophobicContact CB-CD1 4.24Å; L246-L249 HydrophobicContact CD2-CD1 3.9Å; L246-L249 WeakPolarHBondContact O-CB 3.34Å; L246-L249 PolarHBondContact O-N 3.48Å; L246-R254 HydrophobicContact CB-CG 4.33Å; L246-R254 VanDerWaalsContact O-CD 3.23Å; L246-R254 WeakPolarHBondContact O-CD 2.83Å
247T92.6Very high96.3Very high18 Ų1837.5 Ų37.511%0.1120%0.197CC..THydrogen-bonded Turntrans-62.4-24.5-174.657.70000114L109 L239 Q245 L249 Y302L109-T247 HydrophobicContact CD1-CG2 3.61Å; L109-T247 HydrophobicContact CG-CG2 4.29Å; L239-T247 HydrophobicContact CB-CG2 4.41Å; L239-T247 HydrophobicContact CD2-CG2 4.43Å; Q245-T247 HydrophobicContact CG-CG2 4.07Å; Q245-T247 WeakPolarHBondContact CG-OG1 3.46Å; Q245-T247 PolarHBondContact NE2-OG1 3.49Å; T247-L249 VanDerWaalsContact C-N 3.31Å; T247-Y302 HydrophobicContact CG2-CD1 4.06Å; T247-Y302 HydrophobicContact CG2-CG 4.35Å; T247-Y302 PolarHBondContact O-N 2.69Å
248S91.8Very high96.3Very high81 Ų8137.5 Ų37.557%0.56620%0.197SC*.THydrogen-bonded Turntrans-80.3-7.9174.357.50000114L246 L301L246-S248 PolarHBondContact O-N 3.5Å; L246-S248 VanDerWaalsContact O-N 3.16Å; S248-L301 WeakPolarHBondContact O-CD2 3.24Å
249L95Very high96.3Very high36 Ų3643 Ų4319%0.18822%0.218CC..SBendtrans-87.6148174.8-58.7-179.6000110.9L246 T247 E253 R254L246-L249 HydrophobicContact CB-CD1 4.24Å; L246-L249 HydrophobicContact CD2-CD1 3.9Å; L246-L249 WeakPolarHBondContact O-CB 3.34Å; L246-L249 PolarHBondContact O-N 3.48Å; T247-L249 VanDerWaalsContact C-N 3.31Å; L249-E253 HydrophobicContact CB-CB 4.32Å; L249-R254 HydrophobicContact CB-CG 4.12Å; L249-R254 PolarHBondContact O-NH1 3.01Å
250P95.4Very high96.3Very high26 Ų2651 Ų5117%0.16925%0.252CS..  trans-55.9148.8169.6-28.437.8000113.8H252 E253 R254P250-H252 VanDerWaalsContact C-N 3.3Å; P250-H252 WeakPolarHBondContact CB-CE1 3.46Å; P250-H252 VanDerWaalsContact CB-ND1 3.3Å; P250-H252 WeakPolarHBondContact CB-ND1 3.47Å; P250-H252 PolarHBondContact O-N 3.17Å; P250-E253 WeakPolarHBondContact O-CB 3.33Å; P250-E253 PolarHBondContact O-N 3.24Å; P250-R254 PolarHBondContact O-N 2.68Å; P250-R254 VanDerWaalsContact O-N 3.15Å
251L96Very high96.3Very high0 Ų050.2 Ų50.20%025%0.251CS..Hα-helixtrans-51.8-44.2179.8172.164000113.1Y138 E253 R254 L255 K296 P298 S300 Y315Y138-L251 HydrophobicContact CD2-CD2 3.9Å; Y138-L251 HydrophobicContact CD2-CG 4.38Å; Y138-L251 HydrophobicContact CE2-CD2 4.46Å; L251-E253 VanDerWaalsContact C-N 3.28Å; L251-E253 PolarHBondContact O-N 3.04Å; L251-R254 PolarHBondContact O-N 2.97Å; L251-R254 VanDerWaalsContact O-N 3.13Å; L251-L255 HydrophobicContact CD1-CD1 3.81Å; L251-L255 HydrophobicContact CD1-CD2 4.29Å; L251-L255 HydrophobicContact CD1-CG 3.74Å; L251-L255 HydrophobicContact CD2-CD1 4.37Å; L251-L255 HydrophobicContact CG-CD1 3.79Å; L251-L255 HydrophobicContact CG-CG 4.18Å; L251-L255 WeakPolarHBondContact O-CG 2.99Å; L251-L255 PolarHBondContact O-N 3.5Å; L251-K296 HydrophobicContact CD2-CB 3.53Å; L251-K296 HydrophobicContact CD2-CD 3.75Å; L251-K296 HydrophobicContact CD2-CG 4.3Å; L251-P298 PolarHBondContact N-O 3.35Å; L251-P298 VanDerWaalsContact N-O 3.09Å; L251-S300 PolarHBondContact N-O 3.32Å; L251-Y315 HydrophobicContact CD2-CE1 4.03Å
252H95.5Very high96.2Very high44 Ų4449.4 Ų49.420%0.20425%0.247CC..Hα-helixtrans-60.1-37.5179.967.4-83000112.5Y138 P250 N256 P298 Q299Y138-H252 HydrophobicContact CE2-CB 4.19Å; Y138-H252 WeakPolarHBondContact OH-CB 3.19Å; P250-H252 VanDerWaalsContact C-N 3.3Å; P250-H252 WeakPolarHBondContact CB-CE1 3.46Å; P250-H252 VanDerWaalsContact CB-ND1 3.3Å; P250-H252 WeakPolarHBondContact CB-ND1 3.47Å; P250-H252 PolarHBondContact O-N 3.17Å; H252-N256 VanDerWaalsContact O-CB 3.31Å; H252-N256 WeakPolarHBondContact O-CB 3.5Å; H252-N256 PolarHBondContact O-N 2.97Å; H252-N256 PolarHBondContact O-ND2 3.2Å; H252-P298 HydrophobicContact CB-CB 4.16Å; H252-P298 PolarHBondContact N-O 3.18Å; H252-P298 PolarHBondContact ND1-O 3.45Å; H252-Q299 PolarHBondContact CE1-NE2 3.48Å; H252-Q299 VanDerWaalsContact CE1-NE2 3.32Å
253E97.5Very high96.2Very high73 Ų7355.3 Ų55.334%0.34127%0.265SS..Hα-helixtrans-68.3-41.3174.5-72.9-158.6-16300112.1L249 P250 L251 N256 R257L249-E253 HydrophobicContact CB-CB 4.32Å; P250-E253 WeakPolarHBondContact O-CB 3.33Å; P250-E253 PolarHBondContact O-N 3.24Å; L251-E253 VanDerWaalsContact C-N 3.28Å; L251-E253 PolarHBondContact O-N 3.04Å; E253-N256 PolarHBondContact O-N 3.09Å; E253-R257 WeakPolarHBondContact O-CG 3.41Å; E253-R257 PolarHBondContact O-N 3.01Å; E253-R257 IonicContact OE2-NH2 2.76Å
254R98Very high96.3Very high0 Ų056.5 Ų56.50%027%0.267CS..Hα-helixtrans-62.1-46.1177.6-58.9-166.2-49.8-91.93.1111D237 L246 L249 P250 L251 R257 L258 S300 Y315D237-R254 IonicContact OD1-CZ 2.65Å; D237-R254 IonicContact OD1-NE 3.09Å; D237-R254 PolarHBondContact OD1-NE 2.88Å; D237-R254 IonicContact OD1-NH2 3.56Å; D237-R254 IonicContact OD2-CZ 2.85Å; D237-R254 IonicContact OD2-NE 3.56Å; D237-R254 PolarHBondContact OD2-NE 3.38Å; D237-R254 IonicContact OD2-NH2 2.72Å; D237-R254 PolarHBondContact OD2-NH2 3.08Å; L246-R254 HydrophobicContact CB-CG 4.33Å; L246-R254 VanDerWaalsContact O-CD 3.23Å; L246-R254 WeakPolarHBondContact O-CD 2.83Å; L249-R254 HydrophobicContact CB-CG 4.12Å; L249-R254 PolarHBondContact O-NH1 3.01Å; P250-R254 PolarHBondContact O-N 2.68Å; P250-R254 VanDerWaalsContact O-N 3.15Å; L251-R254 PolarHBondContact O-N 2.97Å; L251-R254 VanDerWaalsContact O-N 3.13Å; R254-R257 PolarHBondContact O-N 3.28Å; R254-L258 WeakPolarHBondContact O-CB 3.39Å; R254-L258 PolarHBondContact O-N 3.33Å; R254-S300 PolarHBondContact NH1-O 2.99Å; R254-Y315 PolarHBondContact NH2-OH 3.28Å
255L97.5Very high96.3Very high1 Ų154.2 Ų54.21%0.00525%0.253CS..Hα-helixtrans-63.6-40.4175.7-69.7173.8000112.7Y138 F236 L251 R257 L258 R259 Q274Y138-L255 HydrophobicContact CD2-CD1 3.89Å; Y138-L255 HydrophobicContact CE2-CD1 3.76Å; F236-L255 WeakPolarHBondContact O-CD2 2.81Å; L251-L255 HydrophobicContact CD1-CD1 3.81Å; L251-L255 HydrophobicContact CD1-CD2 4.29Å; L251-L255 HydrophobicContact CD1-CG 3.74Å; L251-L255 HydrophobicContact CD2-CD1 4.37Å; L251-L255 HydrophobicContact CG-CD1 3.79Å; L251-L255 HydrophobicContact CG-CG 4.18Å; L251-L255 WeakPolarHBondContact O-CG 2.99Å; L251-L255 PolarHBondContact O-N 3.5Å; L255-R257 VanDerWaalsContact C-N 3.3Å; L255-R257 PolarHBondContact O-N 2.9Å; L255-L258 HydrophobicContact CD2-CD2 4.29Å; L255-L258 WeakPolarHBondContact O-CB 3.45Å; L255-L258 PolarHBondContact O-N 3.38Å; L255-R259 WeakPolarHBondContact O-CG 3.2Å; L255-R259 PolarHBondContact O-N 3.2Å; L255-Q274 HydrophobicContact CD1-CG 3.86Å
256N97.3Very high96.3Very high81 Ų8158.5 Ų58.543%0.43327%0.273SS..Hα-helixtrans-63.1-37.7175.5-77.7-20.6000112H252 E253 K260H252-N256 VanDerWaalsContact O-CB 3.31Å; H252-N256 WeakPolarHBondContact O-CB 3.5Å; H252-N256 PolarHBondContact O-N 2.97Å; H252-N256 PolarHBondContact O-ND2 3.2Å; E253-N256 PolarHBondContact O-N 3.09Å; N256-K260 VanDerWaalsContact O-CG 3.31Å; N256-K260 WeakPolarHBondContact O-CG 3.48Å; N256-K260 PolarHBondContact O-N 3.37Å
257R97.9Very high96.1Very high94 Ų9459.4 Ų59.436%0.35528%0.278SS..Hα-helixtrans-69.9-44.2174.1-69.9174.6-171.3-125.45.5111.2L238 E253 R254 L255 R259 K260 V261L238-R257 HydrophobicContact CD2-CB 3.83Å; E253-R257 WeakPolarHBondContact O-CG 3.41Å; E253-R257 PolarHBondContact O-N 3.01Å; E253-R257 IonicContact OE2-NH2 2.76Å; R254-R257 PolarHBondContact O-N 3.28Å; L255-R257 VanDerWaalsContact C-N 3.3Å; L255-R257 PolarHBondContact O-N 2.9Å; R257-R259 PolarHBondContact O-N 3.01Å; R257-K260 PolarHBondContact O-N 3.28Å; R257-K260 VanDerWaalsContact O-N 3.1Å; R257-V261 WeakPolarHBondContact O-CG2 3.14Å; R257-V261 PolarHBondContact O-N 2.97Å
258L98Very high96.3Very high0 Ų059.9 Ų59.90%028%0.278CS..Hα-helixtrans-50.5-54.5176.217563.2000111.4L197 I235 L238 R254 L255 K260 V261 V262 I271L197-L258 HydrophobicContact CD2-CD1 3.97Å; I235-L258 HydrophobicContact CG2-CD1 3.85Å; I235-L258 HydrophobicContact CG2-CD2 3.87Å; L238-L258 HydrophobicContact CB-CB 3.95Å; L238-L258 HydrophobicContact CB-CD1 4.22Å; L238-L258 HydrophobicContact CD2-CB 4.43Å; R254-L258 WeakPolarHBondContact O-CB 3.39Å; R254-L258 PolarHBondContact O-N 3.33Å; L255-L258 HydrophobicContact CD2-CD2 4.29Å; L255-L258 WeakPolarHBondContact O-CB 3.45Å; L255-L258 PolarHBondContact O-N 3.38Å; L258-K260 PolarHBondContact O-N 2.88Å; L258-V261 PolarHBondContact O-N 3.03Å; L258-V261 VanDerWaalsContact O-N 3.1Å; L258-V262 HydrophobicContact CD1-CB 4.01Å; L258-V262 HydrophobicContact CD1-CG2 3.75Å; L258-V262 PolarHBondContact O-N 3.12Å; L258-I271 HydrophobicContact CD2-CG2 3.97Å; L258-I271 HydrophobicContact CG-CD1 4.41Å
259R97.1Very high96.5Very high116 Ų11656 Ų5644%0.43825%0.251SS..Hα-helixtrans-63.7-23.8-179.2-69.7-177.4175.2102.5-5.2114.8L255 R257L255-R259 WeakPolarHBondContact O-CG 3.2Å; L255-R259 PolarHBondContact O-N 3.2Å; R257-R259 PolarHBondContact O-N 3.01Å
260K97.2Very high96.6Very high168 Ų16856.1 Ų56.173%0.7325%0.253SS*.Hα-helixtrans-79.5-26.8177-74.2174.4-177-178.50112.3N256 R257 L258N256-K260 VanDerWaalsContact O-CG 3.31Å; N256-K260 WeakPolarHBondContact O-CG 3.48Å; N256-K260 PolarHBondContact O-N 3.37Å; R257-K260 PolarHBondContact O-N 3.28Å; R257-K260 VanDerWaalsContact O-N 3.1Å; L258-K260 PolarHBondContact O-N 2.88Å
261V97.2Very high96.7Very high15 Ų1555.8 Ų55.89%0.09125%0.25CC..Hα-helixtrans-114.3-18.1-168.4-55.10000113.9F188 S189 V192 L238 L241 R257 L258F188-V261 WeakPolarHBondContact CA-O 3.42Å; S189-V261 PolarHBondContact N-O 2.91Å; V192-V261 HydrophobicContact CG2-CB 3.62Å; V192-V261 HydrophobicContact CG2-CG1 4.26Å; V192-V261 HydrophobicContact CG2-CG2 4.3Å; L238-V261 HydrophobicContact CD2-CG2 4.11Å; L241-V261 HydrophobicContact CD1-CG2 4.26Å; L241-V261 HydrophobicContact CD2-CG1 4.12Å; R257-V261 WeakPolarHBondContact O-CG2 3.14Å; R257-V261 PolarHBondContact O-N 2.97Å; L258-V261 PolarHBondContact O-N 3.03Å; L258-V261 VanDerWaalsContact O-N 3.1Å
262V97.6Very high96.7Very high4 Ų455.9 Ų55.92%0.02425%0.25CS..BIsolated β-bridgetrans-119.3136.5176.4-176.30000110A187 F188 L197 I235 L258 L269 I271A187-V262 CarbonylContact O-C 3.42Å; A187-V262 VanDerWaalsContact O-CA 3.29Å; A187-V262 WeakPolarHBondContact O-CA 3.43Å; F188-V262 HydrophobicContact CD1-CG2 4.08Å; F188-V262 HydrophobicContact CE1-CG2 4.01Å; L197-V262 HydrophobicContact CD1-CG2 4.44Å; L197-V262 HydrophobicContact CD2-CG2 4.46Å; I235-V262 HydrophobicContact CD1-CG1 4.34Å; L258-V262 HydrophobicContact CD1-CB 4.01Å; L258-V262 HydrophobicContact CD1-CG2 3.75Å; L258-V262 PolarHBondContact O-N 3.12Å; V262-L269 HydrophobicContact CG1-CD2 3.69Å; V262-I271 HydrophobicContact CB-CD1 4.48Å
263R97.2Very high96.5Very high182 Ų18259.8 Ų59.869%0.68727%0.269SS*.  trans-113.1140.9172.4-63.5179.4-178.8170.40.5108.8A187 L269A187-R263 PolarHBondContact O-N 3.36Å; R263-L269 WeakPolarHBondContact O-CD2 3.31Å
264E97.2Very high96.2Very high115 Ų11557.6 Ų57.654%0.53726%0.258SS..  trans-61.8148.1173.5-60.9-173156.200111.1L269 I271E264-L269 CarbonylContact C-O 3.56Å; E264-L269 VanDerWaalsContact CA-O 3.31Å; E264-L269 WeakPolarHBondContact CA-O 3.43Å; E264-L269 WeakPolarHBondContact CB-O 3.36Å; E264-I271 HydrophobicContact CG-CB 4.45Å; E264-I271 HydrophobicContact CG-CD1 4.42Å; E264-I271 HydrophobicContact CG-CG1 4.14Å; E264-I271 PolarHBondContact OE1-N 3.03Å
265V96.5Very high95.8Very high31 Ų3159.7 Ų59.719%0.18827%0.267CS..BIsolated β-bridgetrans-125.2116.6174.9-177.70000106.8A187 D267 Y268 L269A187-V265 HydrophobicContact CB-CG2 3.71Å; V265-D267 PolarHBondContact O-N 2.97Å; V265-Y268 HydrophobicContact CG1-CD2 4.14Å; V265-Y268 PolarHBondContact O-N 3.49Å; V265-L269 HydrophobicContact CB-CB 4.08Å; V265-L269 HydrophobicContact CG2-CB 4.4Å; V265-L269 PolarHBondContact N-O 3.49Å; V265-L269 PolarHBondContact O-N 2.65Å
266E93.3Very high95.1Very high141 Ų14164.3 Ų64.366%0.65930%0.296SS*.THydrogen-bonded Turntrans-48.2133.4-179.4-169.9-176.7168.600110.6K209 Y268K209-E266 IonicContact NZ-OE1 3.26Å; K209-E266 PolarHBondContact NZ-OE1 3.29Å; E266-Y268 WeakPolarHBondContact O-CD2 3.44Å; E266-Y268 PolarHBondContact O-N 3.5Å; E266-Y268 VanDerWaalsContact O-N 3.12Å
267D93.1Very high94.2Very high21 Ų2165.9 Ų65.911%0.11230%0.301CS..THydrogen-bonded Turntrans67.9-7.4-179.2-52.1-25.6000117.1W204 K209 V265W204-D267 HydrophobicContact CG-CB 4.47Å; W204-D267 VanDerWaalsContact NE1-CG 3.31Å; W204-D267 PolarHBondContact NE1-OD1 3.45Å; K209-D267 VanDerWaalsContact NZ-CG 3.26Å; K209-D267 IonicContact NZ-OD1 2.62Å; K209-D267 PolarHBondContact NZ-OD1 2.59Å; K209-D267 IonicContact NZ-OD2 4Å; K209-D267 PolarHBondContact NZ-OD2 3.02Å; V265-D267 PolarHBondContact O-N 2.97Å
268Y95.2Very high93.1Very high29 Ų2962.6 Ų62.611%0.11429%0.291CS..THydrogen-bonded Turntrans-130.1-31.5-171.5-62.3-74.6000115.3L180 Y183 N230 C232 Y233 V265 E266L180-Y268 HydrophobicContact CD1-CD1 4.35Å; L180-Y268 WeakPolarHBondContact CD1-O 3.33Å; Y183-Y268 HydrophobicContact CD1-CD2 4.32Å; Y183-Y268 HydrophobicContact CD1-CE1 4.19Å; Y183-Y268 AromaticContact CD1-CE2 3.75Å; Y183-Y268 HydrophobicContact CD1-CE2 3.75Å; Y183-Y268 AromaticContact CD1-CZ 3.67Å; Y183-Y268 AromaticContact CD2-CD1 3.47Å; Y183-Y268 HydrophobicContact CD2-CD1 3.47Å; Y183-Y268 VanDerWaalsContact CD2-CD1 3.47Å; Y183-Y268 HydrophobicContact CD2-CD2 4.36Å; Y183-Y268 AromaticContact CD2-CE1 3.16Å; Y183-Y268 HydrophobicContact CD2-CE1 3.16Å; Y183-Y268 HydrophobicContact CD2-CE2 4.14Å; Y183-Y268 HydrophobicContact CD2-CG 4.07Å; Y183-Y268 AromaticContact CD2-CZ 3.55Å; Y183-Y268 HydrophobicContact CE1-CE1 4.35Å; Y183-Y268 HydrophobicContact CE1-CE2 4.24Å; Y183-Y268 AromaticContact CE1-CZ 3.78Å; Y183-Y268 WeakPolarHBondContact CE1-OH 3.36Å; Y183-Y268 HydrophobicContact CE2-CD1 4.11Å; Y183-Y268 AromaticContact CE2-CE1 3.35Å; Y183-Y268 HydrophobicContact CE2-CE1 3.35Å; Y183-Y268 AromaticContact CE2-CZ 3.65Å; Y183-Y268 AromaticContact CG-CD1 3.83Å; Y183-Y268 HydrophobicContact CG-CD1 3.83Å; Y183-Y268 AromaticContact CG-CD2 3.87Å; Y183-Y268 HydrophobicContact CG-CD2 3.87Å; Y183-Y268 AromaticContact CG-CE1 3.62Å; Y183-Y268 HydrophobicContact CG-CE1 3.62Å; Y183-Y268 AromaticContact CG-CE2 3.68Å; Y183-Y268 HydrophobicContact CG-CE2 3.68Å; Y183-Y268 AromaticContact CG-CG 3.96Å; Y183-Y268 HydrophobicContact CG-CG 3.96Å; Y183-Y268 AromaticContact CG-CZ 3.54Å; Y183-Y268 AromaticContact CZ-CE1 3.96Å; Y183-Y268 AromaticContact CZ-CZ 3.76Å; N230-Y268 HydrophobicContact CB-CD1 4.32Å; N230-Y268 HydrophobicContact CB-CE1 3.95Å; N230-Y268 WeakPolarHBondContact ND2-CE1 3.48Å; N230-Y268 PolarHBondContact ND2-OH 2.89Å; C232-Y268 WeakPolarHBondContact CA-O 3.42Å; Y233-Y268 PolarHBondContact N-O 2.65Å; V265-Y268 HydrophobicContact CG1-CD2 4.14Å; V265-Y268 PolarHBondContact O-N 3.49Å; E266-Y268 WeakPolarHBondContact O-CD2 3.44Å; E266-Y268 PolarHBondContact O-N 3.5Å; E266-Y268 VanDerWaalsContact O-N 3.12Å
269L97.1Very high91.9Very high0 Ų068.8 Ų68.80%032%0.323CS..EExtended strand (participates in β ladder)trans-148.2121.7-175.7-172.5146.6000111.2L184 A187 Y233 I235 V262 R263 E264 V265L184-L269 HydrophobicContact CD1-CD1 4.14Å; L184-L269 HydrophobicContact CD2-CB 3.8Å; L184-L269 HydrophobicContact CD2-CD1 3.73Å; L184-L269 HydrophobicContact CD2-CG 4.43Å; L184-L269 HydrophobicContact CG-CD1 4.49Å; A187-L269 HydrophobicContact CB-CD1 4.21Å; Y233-L269 WeakPolarHBondContact O-CA 3.3Å; I235-L269 HydrophobicContact CD1-CD1 3.55Å; I235-L269 HydrophobicContact CD1-CD2 3.77Å; I235-L269 HydrophobicContact CD1-CG 3.59Å; V262-L269 HydrophobicContact CG1-CD2 3.69Å; R263-L269 WeakPolarHBondContact O-CD2 3.31Å; E264-L269 CarbonylContact C-O 3.56Å; E264-L269 VanDerWaalsContact CA-O 3.31Å; E264-L269 WeakPolarHBondContact CA-O 3.43Å; E264-L269 WeakPolarHBondContact CB-O 3.36Å; V265-L269 HydrophobicContact CB-CB 4.08Å; V265-L269 HydrophobicContact CG2-CB 4.4Å; V265-L269 PolarHBondContact N-O 3.49Å; V265-L269 PolarHBondContact O-N 2.65Å
270V96.6Very high91.1Very high38 Ų3867.3 Ų67.323%0.2332%0.323CS..EExtended strand (participates in β ladder)trans-128.9143.1-178.2177.60000108.8Y233 V234 I235Y233-V270 PolarHBondContact O-N 2.03Å; V234-V270 CarbonylContact C-O 3.46Å; V234-V270 VanDerWaalsContact CA-O 3.31Å; V234-V270 WeakPolarHBondContact CA-O 3.25Å; V234-V270 HydrophobicContact CG2-CB 4.43Å; I235-V270 PolarHBondContact N-O 3.18Å
271I97.3Very high90.2Very high19 Ų1959.5 Ų59.510%0.09729%0.29CS..EExtended strand (participates in β ladder)trans-95.1126.5171.7-62.4173.8000107.4I235 L258 V262 E264 E273I235-I271 WeakPolarHBondContact O-CA 3.3Å; L258-I271 HydrophobicContact CD2-CG2 3.97Å; L258-I271 HydrophobicContact CG-CD1 4.41Å; V262-I271 HydrophobicContact CB-CD1 4.48Å; E264-I271 HydrophobicContact CG-CB 4.45Å; E264-I271 HydrophobicContact CG-CD1 4.42Å; E264-I271 HydrophobicContact CG-CG1 4.14Å; E264-I271 PolarHBondContact OE1-N 3.03Å; I271-E273 PolarHBondContact O-N 3.42Å
272A95.5Very high89.1Confident1 Ų161.3 Ų61.31%0.00830%0.299CS..PPolyproline II helixtrans-56.5130.6178.500000110.7F143 V234 I235 F236 Q274F143-A272 HydrophobicContact CE2-CB 4.24Å; V234-A272 HydrophobicContact CG1-CB 4.19Å; I235-A272 PolarHBondContact O-N 3.18Å; F236-A272 HydrophobicContact CB-CB 3.75Å; A272-Q274 PolarHBondContact O-NE2 2.92Å; A272-Q274 PolarHBondContact O-OE1 3.33Å
273E92.4Very high88.3Confident127 Ų12765.2 Ų65.259%0.59332%0.323SS*.PPolyproline II helixtrans-77131179.3-172.4-176.7-163.700110.6I271I271-E273 PolarHBondContact O-N 3.42Å
274Q91.9Very high87.5Confident26 Ų2660 Ų6012%0.12131%0.309CS..  trans-97.8112.2172.1-72.177.64900110.1Y138 E140 L255 A272Y138-Q274 HydrophobicContact CD1-CB 3.84Å; Y138-Q274 HydrophobicContact CD1-CG 4.21Å; Y138-Q274 HydrophobicContact CD2-CB 4.48Å; Y138-Q274 HydrophobicContact CD2-CG 3.95Å; Y138-Q274 HydrophobicContact CE1-CB 4.48Å; Y138-Q274 HydrophobicContact CG-CB 3.84Å; Y138-Q274 HydrophobicContact CG-CG 3.72Å; E140-Q274 HydrophobicContact CG-CG 4Å; E140-Q274 PolarHBondContact OE1-NE2 3.31Å; L255-Q274 HydrophobicContact CD1-CG 3.86Å; A272-Q274 PolarHBondContact O-NE2 2.92Å; A272-Q274 PolarHBondContact O-OE1 3.33Å
275K88.2Confident86.6Confident44 Ų4454.6 Ų54.619%0.19128%0.284CS..BIsolated β-bridgetrans-91.6165.1169.6-60.8178.9177-178.90110.2Y138 V139 A281 D284Y138-K275 CarbonylContact C-O 3.59Å; Y138-K275 WeakPolarHBondContact CA-O 3.23Å; V139-K275 HydrophobicContact CB-CB 4.27Å; V139-K275 PolarHBondContact N-O 3.21Å; V139-K275 PolarHBondContact O-N 3.1Å; K275-A281 HydrophobicContact CB-CB 4.47Å; K275-A281 HydrophobicContact CD-CB 3.87Å; K275-D284 IonicContact NZ-OD2 2.78Å; K275-D284 PolarHBondContact NZ-OD2 3.23Å
276T83.3Confident85.7Confident98 Ų9858.1 Ų58.160%0.60131%0.305SS*.SBendtrans-114.3-7.2177.950.30000113.5F137F137-T276 WeakPolarHBondContact CE2-O 3.32Å; F137-T276 WeakPolarHBondContact CZ-O 3.35Å
277E78.3Confident85Confident114 Ų11454.5 Ų54.553%0.53331%0.306SS..  trans-113.5113.6-175.9-65.4-177.6162.700111.2N280 A281E277-N280 HydrophobicContact CB-CB 4.27Å; E277-N280 PolarHBondContact OE2-ND2 3.36Å; E277-A281 WeakPolarHBondContact O-CB 3.39Å; E277-A281 PolarHBondContact O-N 3.26Å; E277-A281 VanDerWaalsContact O-N 3.1Å
278V75.4Confident84.3Confident26 Ų2659.3 Ų59.316%0.15832%0.322CS..Hα-helixtrans-64.6-48.4-176.9-174.60000112.1F137 V139 N280 A281 L282 I293 M318F137-V278 HydrophobicContact CD2-CG2 4.09Å; F137-V278 HydrophobicContact CE1-CG2 4.49Å; F137-V278 HydrophobicContact CE2-CG2 3.22Å; F137-V278 HydrophobicContact CZ-CG2 3.48Å; F137-V278 VanDerWaalsContact CZ-CG2 3.48Å; V139-V278 HydrophobicContact CG2-CG2 4.04Å; V278-N280 PolarHBondContact O-N 3.15Å; V278-A281 PolarHBondContact O-N 3.27Å; V278-L282 VanDerWaalsContact O-CB 3.28Å; V278-L282 WeakPolarHBondContact O-CB 3.26Å; V278-L282 PolarHBondContact O-N 3.21Å; V278-I293 HydrophobicContact CG1-CD1 3.69Å; V278-M318 HydrophobicContact CG1-CE 4.29Å
279I73.4Confident83.2Confident129 Ų12968.5 Ų68.566%0.66236%0.357SS*.Hα-helixtrans-65.4-45.2-171.7-63.3175.1000110.8L282 T283I279-L282 PolarHBondContact O-N 3.07Å; I279-T283 WeakPolarHBondContact O-CB 3.32Å; I279-T283 PolarHBondContact O-N 3.27Å; I279-T283 PolarHBondContact O-OG1 3Å
280N78.4Confident82.3Confident85 Ų8570.6 Ų70.646%0.45537%0.367SS..Hα-helixtrans-67.1-44.2178.2-71.5-13.5000110.4E277 V278 L282 T283 D284E277-N280 HydrophobicContact CB-CB 4.27Å; E277-N280 PolarHBondContact OE2-ND2 3.36Å; V278-N280 PolarHBondContact O-N 3.15Å; N280-L282 PolarHBondContact O-N 2.94Å; N280-T283 PolarHBondContact O-N 2.92Å; N280-D284 WeakPolarHBondContact O-CB 3.33Å; N280-D284 PolarHBondContact O-N 3.29Å
281A78.4Confident81.4Confident4 Ų473.1 Ų73.13%0.03338%0.376CS..Hα-helixtrans-61.9-39.9175.900000113.2V139 K275 E277 V278 D284 A285V139-A281 HydrophobicContact CB-CB 4.07Å; V139-A281 HydrophobicContact CG1-CB 3.5Å; K275-A281 HydrophobicContact CB-CB 4.47Å; K275-A281 HydrophobicContact CD-CB 3.87Å; E277-A281 WeakPolarHBondContact O-CB 3.39Å; E277-A281 PolarHBondContact O-N 3.26Å; E277-A281 VanDerWaalsContact O-N 3.1Å; V278-A281 PolarHBondContact O-N 3.27Å; A281-D284 PolarHBondContact O-N 2.93Å; A281-A285 VanDerWaalsContact O-CB 3.32Å; A281-A285 WeakPolarHBondContact O-CB 3.33Å; A281-A285 PolarHBondContact O-N 3.46Å
282L75.3Confident80.9Confident53 Ų5372.6 Ų72.628%0.27738%0.375SS..Hα-helixtrans-67.2-42.7176.3-175.563.1000111.1V278 I279 N280 D284 A285 V286 I293V278-L282 VanDerWaalsContact O-CB 3.28Å; V278-L282 WeakPolarHBondContact O-CB 3.26Å; V278-L282 PolarHBondContact O-N 3.21Å; I279-L282 PolarHBondContact O-N 3.07Å; N280-L282 PolarHBondContact O-N 2.94Å; L282-D284 VanDerWaalsContact C-N 3.35Å; L282-A285 PolarHBondContact O-N 3.34Å; L282-V286 VanDerWaalsContact O-CG2 3.3Å; L282-V286 WeakPolarHBondContact O-CG2 3.43Å; L282-V286 PolarHBondContact O-N 2.86Å; L282-I293 HydrophobicContact CB-CD1 4.07Å; L282-I293 HydrophobicContact CD1-CD1 4.2Å; L282-I293 HydrophobicContact CD1-CG1 4.13Å
283T80.7Confident80.6Confident87 Ų8772.6 Ų72.653%0.53438%0.375SS..Hα-helixtrans-62.9-43.1176.8-55.70000111I279 N280 V286 G287I279-T283 WeakPolarHBondContact O-CB 3.32Å; I279-T283 PolarHBondContact O-N 3.27Å; I279-T283 PolarHBondContact O-OG1 3Å; N280-T283 PolarHBondContact O-N 2.92Å; T283-V286 PolarHBondContact O-N 3.14Å; T283-G287 PolarHBondContact O-N 2.76Å
284D81Confident80.6Confident72 Ų7267.7 Ų67.739%0.38535%0.352SS..Hα-helixtrans-62.1-43.9174.9-68.8-17000111.8K275 N280 A281 L282 G287 R288K275-D284 IonicContact NZ-OD2 2.78Å; K275-D284 PolarHBondContact NZ-OD2 3.23Å; N280-D284 WeakPolarHBondContact O-CB 3.33Å; N280-D284 PolarHBondContact O-N 3.29Å; A281-D284 PolarHBondContact O-N 2.93Å; L282-D284 VanDerWaalsContact C-N 3.35Å; D284-G287 PolarHBondContact O-N 2.98Å; D284-R288 WeakPolarHBondContact O-CB 3.3Å; D284-R288 WeakPolarHBondContact O-CG 3.48Å; D284-R288 PolarHBondContact O-N 3.16Å; D284-R288 PolarHBondContact O-NE 2.83Å
285A78.3Confident80.5Confident1 Ų166.5 Ų66.51%0.00835%0.347CS..Hα-helixtrans-62.5-46.917900000111.2A281 L282 G287 R288 R289 E290 I293A281-A285 VanDerWaalsContact O-CB 3.32Å; A281-A285 WeakPolarHBondContact O-CB 3.33Å; A281-A285 PolarHBondContact O-N 3.46Å; L282-A285 PolarHBondContact O-N 3.34Å; A285-G287 VanDerWaalsContact C-N 3.34Å; A285-G287 PolarHBondContact O-N 3.15Å; A285-R288 CarbonylContact O-C 3.54Å; A285-R288 PolarHBondContact O-N 3.46Å; A285-R289 PolarHBondContact O-N 2.8Å; A285-R289 VanDerWaalsContact O-N 3.12Å; A285-E290 WeakPolarHBondContact CA-OE2 3.41Å; A285-E290 HydrophobicContact CB-CB 4.08Å; A285-E290 WeakPolarHBondContact O-CB 3.34Å; A285-E290 PolarHBondContact O-N 3.32Å; A285-I293 HydrophobicContact CB-CG2 3.86Å
286V77.6Confident80.7Confident105 Ų10564.6 Ų64.664%0.63634%0.339SS*.Hα-helixtrans-61-43.9174.9172.30000110.9L282 T283 R288 R289L282-V286 VanDerWaalsContact O-CG2 3.3Å; L282-V286 WeakPolarHBondContact O-CG2 3.43Å; L282-V286 PolarHBondContact O-N 2.86Å; T283-V286 PolarHBondContact O-N 3.14Å; V286-R288 VanDerWaalsContact C-N 3.3Å; V286-R288 PolarHBondContact O-N 2.95Å; V286-R289 PolarHBondContact O-N 3Å; V286-R289 VanDerWaalsContact O-N 3.14Å
287G78.6Confident81.1Confident65 Ų6562 Ų6267%0.6732%0.321SS*.Hα-helixtrans-61.1-36.9177.900000113.2T283 D284 A285 R289T283-G287 PolarHBondContact O-N 2.76Å; D284-G287 PolarHBondContact O-N 2.98Å; A285-G287 VanDerWaalsContact C-N 3.34Å; A285-G287 PolarHBondContact O-N 3.15Å; G287-R289 VanDerWaalsContact C-N 3.32Å
288R77Confident81.8Confident122 Ų12256.8 Ų56.846%0.4630%0.297SS..THydrogen-bonded Turntrans-86.23177.8-68-176-65.8177.413.9114.1T141 D284 A285 V286 E290T141-R288 PolarHBondContact OG1-NH2 3.13Å; D284-R288 WeakPolarHBondContact O-CB 3.3Å; D284-R288 WeakPolarHBondContact O-CG 3.48Å; D284-R288 PolarHBondContact O-N 3.16Å; D284-R288 PolarHBondContact O-NE 2.83Å; A285-R288 CarbonylContact O-C 3.54Å; A285-R288 PolarHBondContact O-N 3.46Å; V286-R288 VanDerWaalsContact C-N 3.3Å; V286-R288 PolarHBondContact O-N 2.95Å; R288-E290 HydrophobicContact CB-CG 3.84Å; R288-E290 IonicContact CZ-OE1 3.35Å; R288-E290 IonicContact CZ-OE2 3.5Å; R288-E290 IonicContact NE-OE1 2.88Å; R288-E290 PolarHBondContact NE-OE1 3.44Å; R288-E290 IonicContact NE-OE2 2.68Å; R288-E290 IonicContact NH1-OE1 3.35Å; R288-E290 IonicContact NH2-OE1 2.73Å; R288-E290 PolarHBondContact NH2-OE1 2.96Å; R288-E290 VanDerWaalsContact NH2-OE1 3.09Å; R288-E290 IonicContact NH2-OE2 3.58Å; R288-E290 PolarHBondContact NH2-OE2 3.16Å; R288-E290 PolarHBondContact O-N 3.25Å
289R73.4Confident82.6Confident223 Ų22361.2 Ų61.284%0.84232%0.316SS*.THydrogen-bonded Turntrans56.432.5-174.3-53.3-179.7178.8-173.4-0.1112.9A285 V286 G287A285-R289 PolarHBondContact O-N 2.8Å; A285-R289 VanDerWaalsContact O-N 3.12Å; V286-R289 PolarHBondContact O-N 3Å; V286-R289 VanDerWaalsContact O-N 3.14Å; G287-R289 VanDerWaalsContact C-N 3.32Å
290E77.4Confident83.4Confident43 Ų4355.7 Ų55.720%0.20129%0.289CS..  trans-74.9157.6172.7-64172.1171.100109.8T141 A285 R288 G292T141-E290 HydrophobicContact CG2-CB 4.1Å; T141-E290 HydrophobicContact CG2-CG 3.92Å; T141-E290 WeakPolarHBondContact CG2-OE2 3.39Å; T141-E290 PolarHBondContact OG1-OE2 2.71Å; A285-E290 WeakPolarHBondContact CA-OE2 3.41Å; A285-E290 HydrophobicContact CB-CB 4.08Å; A285-E290 WeakPolarHBondContact O-CB 3.34Å; A285-E290 PolarHBondContact O-N 3.32Å; R288-E290 HydrophobicContact CB-CG 3.84Å; R288-E290 IonicContact CZ-OE1 3.35Å; R288-E290 IonicContact CZ-OE2 3.5Å; R288-E290 IonicContact NE-OE1 2.88Å; R288-E290 PolarHBondContact NE-OE1 3.44Å; R288-E290 IonicContact NE-OE2 2.68Å; R288-E290 IonicContact NH1-OE1 3.35Å; R288-E290 IonicContact NH2-OE1 2.73Å; R288-E290 PolarHBondContact NH2-OE1 2.96Å; R288-E290 VanDerWaalsContact NH2-OE1 3.09Å; R288-E290 IonicContact NH2-OE2 3.58Å; R288-E290 PolarHBondContact NH2-OE2 3.16Å; R288-E290 PolarHBondContact O-N 3.25Å; E290-G292 VanDerWaalsContact C-N 3.26Å; E290-G292 PolarHBondContact O-N 3.08Å
291E77.8Confident84.1Confident92 Ų9254.9 Ų54.943%0.4328%0.284SS..  trans-68.7-27.2-171.9-164.7-175.5158.900112.9K142 D144K142-E291 HydrophobicContact CD-CB 4.37Å; K142-E291 HydrophobicContact CD-CG 4.34Å; K142-E291 HydrophobicContact CG-CB 4.43Å; K142-E291 IonicContact NZ-OE1 3.19Å; K142-E291 PolarHBondContact NZ-OE1 3.49Å; K142-E291 IonicContact NZ-OE2 3.79Å; K142-E291 PolarHBondContact NZ-OE2 3.35Å; D144-E291 HydrophobicContact CB-CB 4.42Å
292G86.3Confident84.7Confident7 Ų755.4 Ų55.47%0.07229%0.285CS..EExtended strand (participates in β ladder)trans161.1-154.4-176.400000111.3K142 E290 M318K142-G292 VanDerWaalsContact CB-C 3.44Å; K142-G292 VanDerWaalsContact CB-O 3.3Å; K142-G292 WeakPolarHBondContact CB-O 3.33Å; K142-G292 PolarHBondContact N-O 3.47Å; E290-G292 VanDerWaalsContact C-N 3.26Å; E290-G292 PolarHBondContact O-N 3.08Å; G292-M318 WeakPolarHBondContact CA-O 3.45Å
293I89.7Confident85.3Confident1 Ų158.2 Ų58.21%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-131.3152.1178.957.3168.7000111.3V139 E140 V278 L282 A285 M318V139-I293 HydrophobicContact CG1-CB 3.96Å; V139-I293 HydrophobicContact CG1-CD1 3.86Å; V139-I293 HydrophobicContact CG1-CG1 4.45Å; V139-I293 HydrophobicContact CG1-CG2 4.23Å; E140-I293 CarbonylContact O-C 3.52Å; E140-I293 WeakPolarHBondContact O-CA 3.29Å; V278-I293 HydrophobicContact CG1-CD1 3.69Å; L282-I293 HydrophobicContact CB-CD1 4.07Å; L282-I293 HydrophobicContact CD1-CD1 4.2Å; L282-I293 HydrophobicContact CD1-CG1 4.13Å; A285-I293 HydrophobicContact CB-CG2 3.86Å; I293-M318 HydrophobicContact CD1-CE 3.49Å; I293-M318 VanDerWaalsContact CD1-CE 3.49Å; I293-M318 HydrophobicContact CD1-SD 4.29Å; I293-M318 HydrophobicContact CG1-CB 4.02Å; I293-M318 HydrophobicContact CG1-CE 3.78Å; I293-M318 PolarHBondContact N-O 2.71Å; I293-M318 PolarHBondContact O-N 3.2Å
294I91.8Very high85.2Confident24 Ų2455.2 Ų55.212%0.12328%0.275CS..EExtended strand (participates in β ladder)trans-109.8123.7170.5-56.1-61000108.3A120 V139 E140 K142 K296 F316 L317A120-I294 HydrophobicContact CB-CD1 4.44Å; V139-I294 WeakPolarHBondContact CA-O 3.49Å; E140-I294 PolarHBondContact N-O 3.06Å; E140-I294 PolarHBondContact O-N 3.2Å; K142-I294 HydrophobicContact CB-CD1 4.17Å; K142-I294 HydrophobicContact CB-CG1 4.05Å; K142-I294 HydrophobicContact CD-CD1 4.09Å; K142-I294 HydrophobicContact CG-CD1 3.96Å; K142-I294 HydrophobicContact CG-CG1 4.22Å; I294-K296 HydrophobicContact CG2-CD 4.46Å; I294-K296 HydrophobicContact CG2-CG 3.81Å; I294-F316 CarbonylContact C-O 3.59Å; I294-F316 VanDerWaalsContact CA-O 3.24Å; I294-F316 WeakPolarHBondContact CA-O 3.38Å; I294-L317 HydrophobicContact CD1-CB 3.54Å
295V91.1Very high84.7Confident1 Ų153.9 Ų53.91%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-98.7128.3170.6169.60000109.8V128 M132 F137 Y138 V139 Y315 F316 M318V128-V295 HydrophobicContact CG1-CG1 4.02Å; V128-V295 HydrophobicContact CG1-CG2 4.5Å; M132-V295 HydrophobicContact CG-CG1 4.41Å; M132-V295 HydrophobicContact SD-CG1 4.23Å; F137-V295 HydrophobicContact CB-CG1 3.92Å; F137-V295 HydrophobicContact CD2-CG1 4.34Å; F137-V295 HydrophobicContact CG-CG1 4.25Å; Y138-V295 CarbonylContact O-C 3.58Å; Y138-V295 VanDerWaalsContact O-CA 3.29Å; Y138-V295 WeakPolarHBondContact O-CA 3.31Å; V139-V295 HydrophobicContact CG1-CG2 4.31Å; V139-V295 HydrophobicContact CG2-CG2 4.2Å; V295-Y315 CarbonylContact O-C 3.54Å; V295-Y315 WeakPolarHBondContact O-CA 3.36Å; V295-F316 HydrophobicContact CB-CB 4.31Å; V295-F316 PolarHBondContact N-O 3.42Å; V295-F316 PolarHBondContact O-N 3Å; V295-M318 HydrophobicContact CB-CE 3.86Å; V295-M318 HydrophobicContact CG2-CE 3.09Å
296K92.5Very high83.9Confident5 Ų554.2 Ų54.22%0.02227%0.27CS..EExtended strand (participates in β ladder)trans-123.9138.9-177.6-55.7-175.3177.8169.20111.2F137 Y138 E140 L251 I294 P298 G314 Y315F137-K296 WeakPolarHBondContact CA-O 3.1Å; Y138-K296 PolarHBondContact N-O 2.82Å; Y138-K296 PolarHBondContact O-N 2.85Å; E140-K296 WeakPolarHBondContact OE1-CD 3.4Å; E140-K296 WeakPolarHBondContact OE1-CE 3.26Å; E140-K296 IonicContact OE1-NZ 3.5Å; E140-K296 PolarHBondContact OE1-NZ 2.98Å; E140-K296 WeakPolarHBondContact OE2-CE 3.06Å; E140-K296 IonicContact OE2-NZ 3.64Å; E140-K296 PolarHBondContact OE2-NZ 2.9Å; L251-K296 HydrophobicContact CD2-CB 3.53Å; L251-K296 HydrophobicContact CD2-CD 3.75Å; L251-K296 HydrophobicContact CD2-CG 4.3Å; I294-K296 HydrophobicContact CG2-CD 4.46Å; I294-K296 HydrophobicContact CG2-CG 3.81Å; K296-P298 WeakPolarHBondContact O-CD 3.26Å; K296-G314 CarbonylContact C-O 3.57Å; K296-G314 WeakPolarHBondContact CA-O 3.45Å; K296-Y315 HydrophobicContact CB-CD1 3.72Å; K296-Y315 HydrophobicContact CB-CE1 3.99Å; K296-Y315 HydrophobicContact CD-CD1 3.76Å; K296-Y315 HydrophobicContact CD-CD2 4.45Å; K296-Y315 HydrophobicContact CD-CE1 3.66Å; K296-Y315 HydrophobicContact CD-CE2 4.29Å; K296-Y315 HydrophobicContact CD-CG 4.22Å; K296-Y315 HydrophobicContact CG-CD1 3.48Å; K296-Y315 VanDerWaalsContact CG-CD1 3.48Å; K296-Y315 HydrophobicContact CG-CE1 3.88Å; K296-Y315 HydrophobicContact CG-CG 3.95Å
297N91.2Very high82.5Confident43 Ų4354 Ų5423%0.2327%0.271CS..  trans-78117.6169.5-176.9-15.7000110.3M132 Q299 S300 G314M132-N297 HydrophobicContact CE-CB 3.62Å; M132-N297 HydrophobicContact SD-CB 4.31Å; N297-Q299 PolarHBondContact O-N 3.27Å; N297-Q299 VanDerWaalsContact O-N 3.13Å; N297-Q299 WeakPolarHBondContact OD1-CB 3.41Å; N297-Q299 PolarHBondContact OD1-N 3.1Å; N297-S300 VanDerWaalsContact O-CB 3.32Å; N297-S300 WeakPolarHBondContact O-CB 3.42Å; N297-S300 PolarHBondContact O-N 3.19Å; N297-S300 PolarHBondContact O-OG 3.19Å; N297-G314 PolarHBondContact N-O 2.84Å
298P92.7Very high81Confident4 Ų452.8 Ų52.83%0.02625%0.252CS..THydrogen-bonded Turntrans-59.9-23.2178.7-23.835.1000113.5E136 Y138 L251 H252 K296E136-P298 HydrophobicContact CB-CG 4.48Å; E136-P298 WeakPolarHBondContact O-CD 3.47Å; Y138-P298 HydrophobicContact CD1-CG 4.3Å; Y138-P298 HydrophobicContact CD2-CB 4.16Å; Y138-P298 HydrophobicContact CD2-CG 3.88Å; Y138-P298 HydrophobicContact CE1-CG 4.19Å; Y138-P298 HydrophobicContact CE2-CB 3.63Å; Y138-P298 HydrophobicContact CE2-CG 3.76Å; Y138-P298 HydrophobicContact CG-CG 4.14Å; L251-P298 PolarHBondContact N-O 3.35Å; L251-P298 VanDerWaalsContact N-O 3.09Å; H252-P298 HydrophobicContact CB-CB 4.16Å; H252-P298 PolarHBondContact N-O 3.18Å; H252-P298 PolarHBondContact ND1-O 3.45Å; K296-P298 WeakPolarHBondContact O-CD 3.26Å
299Q91.7Very high79.7Confident120 Ų12057.7 Ų57.756%0.56127%0.27SS*.THydrogen-bonded Turntrans-89.6-3.2177.5-59.4-58.4-3400113.4H252 N297H252-Q299 PolarHBondContact CE1-NE2 3.48Å; H252-Q299 VanDerWaalsContact CE1-NE2 3.32Å; N297-Q299 PolarHBondContact O-N 3.27Å; N297-Q299 VanDerWaalsContact O-N 3.13Å; N297-Q299 WeakPolarHBondContact OD1-CB 3.41Å; N297-Q299 PolarHBondContact OD1-N 3.1Å
300S91Very high78.8Confident12 Ų1251.4 Ų51.48%0.08425%0.253CS..PPolyproline II helixtrans-71.8139.5-178.3630000112.9L251 R254 N297L251-S300 PolarHBondContact N-O 3.32Å; R254-S300 PolarHBondContact NH1-O 2.99Å; N297-S300 VanDerWaalsContact O-CB 3.32Å; N297-S300 WeakPolarHBondContact O-CB 3.42Å; N297-S300 PolarHBondContact O-N 3.19Å; N297-S300 PolarHBondContact O-OG 3.19Å
301L91.9Very high77.7Confident69 Ų6953.9 Ų53.936%0.36128%0.275SS..PPolyproline II helixtrans-82154.6168.3-54.1-170.7000109.8S248S248-L301 WeakPolarHBondContact O-CD2 3.24Å
302Y92.2Very high76.9Confident14 Ų1453.6 Ų53.66%0.05528%0.276CS..PPolyproline II helixtrans-78.7124.6174.7-168.3-83.7000110.1F115 P117 M118 D198 D237 L239 T247F115-Y302 HydrophobicContact CD2-CE1 4.43Å; F115-Y302 AromaticContact CE2-CE1 3.84Å; F115-Y302 HydrophobicContact CE2-CE1 3.84Å; P117-Y302 VanDerWaalsContact CA-OH 3.29Å; P117-Y302 WeakPolarHBondContact CA-OH 3.4Å; M118-Y302 HydrophobicContact CB-CD1 4.35Å; M118-Y302 HydrophobicContact CB-CD2 4.03Å; M118-Y302 HydrophobicContact CB-CE1 3.95Å; M118-Y302 HydrophobicContact CB-CE2 3.65Å; M118-Y302 HydrophobicContact CB-CG 4.39Å; M118-Y302 PolarHBondContact N-OH 3.3Å; M118-Y302 HydrophobicContact SD-CD2 4.25Å; M118-Y302 HydrophobicContact SD-CG 4.47Å; D198-Y302 WeakPolarHBondContact OD2-CE2 3.34Å; D198-Y302 PolarHBondContact OD2-OH 3.11Å; D237-Y302 WeakPolarHBondContact OD2-CD2 3.42Å; L239-Y302 HydrophobicContact CD1-CD1 4.37Å; L239-Y302 HydrophobicContact CD1-CD2 4.28Å; L239-Y302 HydrophobicContact CD1-CE1 3.9Å; L239-Y302 HydrophobicContact CD1-CE2 3.76Å; L239-Y302 HydrophobicContact CD2-CD1 4.03Å; L239-Y302 HydrophobicContact CD2-CD2 3.26Å; L239-Y302 HydrophobicContact CD2-CE1 4.32Å; L239-Y302 HydrophobicContact CD2-CE2 3.57Å; L239-Y302 HydrophobicContact CD2-CG 3.49Å; L239-Y302 VanDerWaalsContact CD2-CG 3.49Å; L239-Y302 HydrophobicContact CG-CD2 4.41Å; L239-Y302 HydrophobicContact CG-CE2 4.29Å; T247-Y302 HydrophobicContact CG2-CD1 4.06Å; T247-Y302 HydrophobicContact CG2-CG 4.35Å; T247-Y302 PolarHBondContact O-N 2.69Å
303R86.3Confident76.1Confident112 Ų11253.8 Ų53.842%0.42328%0.276SS..  trans-128.1116.8178.9-64.8-173.1179.9-175.91.3110.8M118 C306M118-R303 WeakPolarHBondContact CA-O 3.35Å; M118-R303 VanDerWaalsContact CB-O 3.23Å; M118-R303 WeakPolarHBondContact CB-O 3.41Å; M118-R303 VanDerWaalsContact CG-O 3.3Å; M118-R303 WeakPolarHBondContact CG-O 3.37Å; R303-C306 HydrophobicContact CB-CB 3.95Å
304S79.1Confident75.8Confident25 Ų2553.9 Ų53.918%0.17528%0.277CS..THydrogen-bonded Turntrans-60.2138174.551.80000111.1V86 R116 C306V86-S304 WeakPolarHBondContact CG1-OG 3.45Å; R116-S304 WeakPolarHBondContact O-CA 3.49Å; R116-S304 WeakPolarHBondContact O-CB 3.24Å; S304-C306 VanDerWaalsContact C-N 3.26Å; S304-C306 PolarHBondContact O-N 3.26Å; S304-C306 VanDerWaalsContact O-N 3.07Å
305D71.1Confident75.7Confident44 Ų4453 Ų5324%0.23527%0.273CS..THydrogen-bonded Turntrans41.744.7175.5-153.429.4000115.9D85 R116 P117 P307D85-D305 HydrophobicContact CB-CB 4.15Å; R116-D305 HydrophobicContact CB-CB 3.81Å; R116-D305 WeakPolarHBondContact CD-OD2 3.46Å; R116-D305 HydrophobicContact CG-CB 4.38Å; R116-D305 IonicContact CZ-OD2 2.78Å; R116-D305 IonicContact NE-OD2 3.02Å; R116-D305 IonicContact NH1-OD2 3.93Å; R116-D305 PolarHBondContact NH1-OD2 3.08Å; P117-D305 PolarHBondContact O-N 2.86Å; D305-P307 WeakPolarHBondContact O-CD 3.46Å
306C61Low75.5Confident8 Ų853.2 Ų53.25%0.05427%0.274CS..  trans-96.786.3174.9176.40000110.7R303 S304 C308R303-C306 HydrophobicContact CB-CB 3.95Å; S304-C306 VanDerWaalsContact C-N 3.26Å; S304-C306 PolarHBondContact O-N 3.26Å; S304-C306 VanDerWaalsContact O-N 3.07Å; C306-C308 WeakPolarHBondContact CA-SG 3.33Å; C306-C308 HydrophobicContact CB-CB 4.42Å; C306-C308 WeakPolarHBondContact CB-SG 3.33Å; C306-C308 PolarHBondContact O-N 2.75Å; C306-C308 WeakPolarHBondContact SG-CB 3.43Å; C306-C308 CovalentContact SG-SG 2.03Å; C306-C308 PolarHBondContact SG-SG 2.92Å
307P48.5Very low75.3Confident100 Ų10055.2 Ų55.265%0.64928%0.284SS*.  trans-81.555.4159.736.1-31.9000107.4D305D305-P307 WeakPolarHBondContact O-CD 3.46Å
308C46.9Very low74.8Confident40 Ų4055.7 Ų55.727%0.2729%0.286SS..  trans-82.8143.5-170.4-52.30000110.7C306 L310 N312C306-C308 WeakPolarHBondContact CA-SG 3.33Å; C306-C308 HydrophobicContact CB-CB 4.42Å; C306-C308 WeakPolarHBondContact CB-SG 3.33Å; C306-C308 PolarHBondContact O-N 2.75Å; C306-C308 WeakPolarHBondContact SG-CB 3.43Å; C306-C308 CovalentContact SG-SG 2.03Å; C306-C308 PolarHBondContact SG-SG 2.92Å; C308-L310 PolarHBondContact O-N 3.44Å; C308-N312 HydrophobicContact CB-CB 4.02Å
309R50.9Low73.9Confident224 Ų22458.3 Ų58.385%0.84530%0.299SS*.  trans-29.8131.5161.6-56.1177.1-170.7-166.81.4110.2S311 N312R309-S311 PolarHBondContact O-N 3.36Å; R309-N312 PolarHBondContact O-N 3.2Å
310L54.4Low73Confident91 Ų9155.1 Ų55.148%0.47629%0.285SS..G310 helixtrans-32.9-34.2-171.1-69.8162.2000116V123 V131 C308 N312 F316V123-L310 HydrophobicContact CG1-CD2 3.81Å; V131-L310 HydrophobicContact CG2-CD2 4.16Å; C308-L310 PolarHBondContact O-N 3.44Å; L310-N312 VanDerWaalsContact C-N 3.32Å; L310-N312 PolarHBondContact O-N 2.82Å; L310-F316 HydrophobicContact CD2-CE1 4.34Å
311S54Low72Confident95 Ų9557.4 Ų57.466%0.66430%0.296SS*.G310 helixtrans-64.7-23.8-178.5660000116.2R309R309-S311 PolarHBondContact O-N 3.36Å
312N60.5Low70.8Confident87 Ų8756.8 Ų56.847%0.46529%0.292SS..G310 helixtrans-117.21.3-175.3-77.1-0.1000113.6C308 R309 L310C308-N312 HydrophobicContact CB-CB 4.02Å; R309-N312 PolarHBondContact O-N 3.2Å; L310-N312 VanDerWaalsContact C-N 3.32Å; L310-N312 PolarHBondContact O-N 2.82Å
313C70Confident69.5Low10 Ų1059.4 Ų59.47%0.06831%0.307CS..  trans-84.5128.5179.1-158.30000109.5C121 Y315 F316C121-C313 HydrophobicContact CB-CB 4.17Å; C121-C313 VanDerWaalsContact CB-SG 3.59Å; C313-Y315 PolarHBondContact SG-O 3.15Å; C313-F316 HydrophobicContact CB-CE1 3.84Å; C313-F316 HydrophobicContact CB-CZ 3.96Å; C313-F316 WeakPolarHBondContact O-CE2 3.5Å; C313-F316 WeakPolarHBondContact O-CZ 3.43Å
314G83Confident68.4Low3 Ų355.9 Ų55.93%0.03130%0.299CS..  trans-87-26.6174.300000112.9K296 N297K296-G314 CarbonylContact C-O 3.57Å; K296-G314 WeakPolarHBondContact CA-O 3.45Å; N297-G314 PolarHBondContact N-O 2.84Å
315Y89.3Confident67.6Low6 Ų658.1 Ų58.12%0.02431%0.308CS..EExtended strand (participates in β ladder)trans-120.6136-169.6-61.8-4.5000110.4M118 A120 C121 D237 L251 R254 V295 K296 C313M118-Y315 HydrophobicContact CE-CD1 3.94Å; M118-Y315 HydrophobicContact CE-CD2 4.15Å; M118-Y315 HydrophobicContact CE-CE1 4.11Å; M118-Y315 HydrophobicContact CE-CE2 4.39Å; M118-Y315 HydrophobicContact CE-CG 3.91Å; M118-Y315 HydrophobicContact CG-CD2 4.12Å; M118-Y315 HydrophobicContact CG-CE2 4.21Å; M118-Y315 HydrophobicContact SD-CD1 4.49Å; M118-Y315 HydrophobicContact SD-CD2 4.03Å; M118-Y315 HydrophobicContact SD-CE1 4.21Å; M118-Y315 HydrophobicContact SD-CE2 3.79Å; M118-Y315 HydrophobicContact SD-CG 4.37Å; A120-Y315 CarbonylContact C-O 3.54Å; A120-Y315 VanDerWaalsContact CA-O 3.24Å; A120-Y315 WeakPolarHBondContact CA-O 3.39Å; C121-Y315 PolarHBondContact N-O 3.04Å; D237-Y315 PolarHBondContact OD2-OH 3.28Å; L251-Y315 HydrophobicContact CD2-CE1 4.03Å; R254-Y315 PolarHBondContact NH2-OH 3.28Å; V295-Y315 CarbonylContact O-C 3.54Å; V295-Y315 WeakPolarHBondContact O-CA 3.36Å; K296-Y315 HydrophobicContact CB-CD1 3.72Å; K296-Y315 HydrophobicContact CB-CE1 3.99Å; K296-Y315 HydrophobicContact CD-CD1 3.76Å; K296-Y315 HydrophobicContact CD-CD2 4.45Å; K296-Y315 HydrophobicContact CD-CE1 3.66Å; K296-Y315 HydrophobicContact CD-CE2 4.29Å; K296-Y315 HydrophobicContact CD-CG 4.22Å; K296-Y315 HydrophobicContact CG-CD1 3.48Å; K296-Y315 VanDerWaalsContact CG-CD1 3.48Å; K296-Y315 HydrophobicContact CG-CE1 3.88Å; K296-Y315 HydrophobicContact CG-CG 3.95Å; C313-Y315 PolarHBondContact SG-O 3.15Å
316F88.2Confident67.4Low6 Ų659.2 Ų59.23%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-130.6134.7-174.5-60.4-74.9000109.3C121 V123 V131 M132 I294 V295 L310 C313C121-F316 HydrophobicContact CB-CD1 4.09Å; C121-F316 HydrophobicContact CB-CE1 4.31Å; C121-F316 CarbonylContact O-C 3.52Å; C121-F316 VanDerWaalsContact O-CA 3.25Å; C121-F316 WeakPolarHBondContact O-CA 3.45Å; V123-F316 HydrophobicContact CG1-CD1 3.64Å; V123-F316 HydrophobicContact CG1-CE1 4.33Å; V123-F316 HydrophobicContact CG1-CG 4.47Å; V123-F316 HydrophobicContact CG2-CB 3.71Å; V123-F316 HydrophobicContact CG2-CD1 4.27Å; V123-F316 HydrophobicContact CG2-CG 4.31Å; V131-F316 HydrophobicContact CG1-CD1 4.01Å; V131-F316 HydrophobicContact CG1-CD2 4.11Å; V131-F316 HydrophobicContact CG1-CE1 3.36Å; V131-F316 HydrophobicContact CG1-CE2 3.47Å; V131-F316 VanDerWaalsContact CG1-CE2 3.47Å; V131-F316 HydrophobicContact CG1-CG 4.35Å; V131-F316 HydrophobicContact CG1-CZ 3.05Å; M132-F316 HydrophobicContact SD-CD2 4.31Å; M132-F316 HydrophobicContact SD-CE2 4.06Å; I294-F316 CarbonylContact C-O 3.59Å; I294-F316 VanDerWaalsContact CA-O 3.24Å; I294-F316 WeakPolarHBondContact CA-O 3.38Å; V295-F316 HydrophobicContact CB-CB 4.31Å; V295-F316 PolarHBondContact N-O 3.42Å; V295-F316 PolarHBondContact O-N 3Å; L310-F316 HydrophobicContact CD2-CE1 4.34Å; C313-F316 HydrophobicContact CB-CE1 3.84Å; C313-F316 HydrophobicContact CB-CZ 3.96Å; C313-F316 WeakPolarHBondContact O-CE2 3.5Å; C313-F316 WeakPolarHBondContact O-CZ 3.43Å
317L87.4Confident67.9Low47 Ų4763.5 Ų63.525%0.24634%0.336CS..EExtended strand (participates in β ladder)trans-108.4140176.972.791.1000110.1A120 C121 V123 I294A120-L317 HydrophobicContact CB-CB 4.11Å; A120-L317 HydrophobicContact CB-CD2 4.14Å; C121-L317 PolarHBondContact O-N 3.08Å; V123-L317 PolarHBondContact N-O 3.47Å; V123-L317 VanDerWaalsContact N-O 3.12Å; I294-L317 HydrophobicContact CD1-CB 3.54Å
318M81.5Confident69.7Low53 Ų5360.2 Ų60.226%0.26131%0.307SS..  trans-135.40176.7-67.2174.5-84.600110.8V123 P125 V128 V278 G292 I293 V295V123-M318 HydrophobicContact CG2-CG 3.94Å; P125-M318 WeakPolarHBondContact CA-SD 3.45Å; P125-M318 HydrophobicContact CB-SD 3.79Å; P125-M318 HydrophobicContact CG-CB 4.44Å; P125-M318 HydrophobicContact CG-CG 4.32Å; P125-M318 HydrophobicContact CG-SD 3.94Å; V128-M318 HydrophobicContact CG2-CE 3.67Å; V128-M318 HydrophobicContact CG2-SD 3.44Å; V128-M318 WeakPolarHBondContact CG2-SD 3.35Å; V278-M318 HydrophobicContact CG1-CE 4.29Å; G292-M318 WeakPolarHBondContact CA-O 3.45Å; I293-M318 HydrophobicContact CD1-CE 3.49Å; I293-M318 VanDerWaalsContact CD1-CE 3.49Å; I293-M318 HydrophobicContact CD1-SD 4.29Å; I293-M318 HydrophobicContact CG1-CB 4.02Å; I293-M318 HydrophobicContact CG1-CE 3.78Å; I293-M318 PolarHBondContact N-O 2.71Å; I293-M318 PolarHBondContact O-N 3.2Å; V295-M318 HydrophobicContact CB-CE 3.86Å; V295-M318 HydrophobicContact CG2-CE 3.09Å

Retrieved 318 of 318 residues in 198.6 ms (Link to these results)

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