A0A096LS66_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A096LS66, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 363 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M31.4Very low58.6Low246 Ų246116.6 Ų116.6100%1.21263%0.629SS**  0146.20-67.5161.5176.700107.4
2R34.8Very low61.6Low247 Ų247114.8 Ų114.893%0.93261%0.613SS**PPolyproline II helixtrans-96.1132.7177.9-72.7-177.9176169.8-2.4109.7
3T33Very low64.1Low108 Ų108110.8 Ų110.866%0.66359%0.592SS**PPolyproline II helixtrans-75135173-27.30000109.4
4P34.3Very low66.4Low126 Ų126103.4 Ų103.482%0.81855%0.553SS**THydrogen-bonded Turntrans-65138.9169.3-17.531.3000110.4
5G44Very low68.3Low80 Ų80103.9 Ų103.983%0.82555%0.55SS**THydrogen-bonded Turntrans109.9-11.2171.800000116.8A7G5-A7 PolarHBondContact O-N 3.28Å
6M51.9Low70.1Confident106 Ų106103.8 Ų103.852%0.52255%0.55SS..PPolyproline II helixtrans-69.1124172.9-68.8-170.579.100110.9V8M6-V8 PolarHBondContact O-N 3.29Å
7A58.9Low71.7Confident26 Ų26102.4 Ų102.422%0.21554%0.538CS..PPolyproline II helixtrans-67.7116.7171.900000109.4G5 Q74 V87G5-A7 PolarHBondContact O-N 3.28Å; A7-Q74 HydrophobicContact CB-CG 4.45Å; A7-Q74 VanDerWaalsContact N-CD 3.33Å; A7-Q74 PolarHBondContact O-NE2 3.4Å; A7-V87 HydrophobicContact CB-CG2 4.07Å
8V79.5Confident73.2Confident110 Ų11096.9 Ų96.967%0.66751%0.509SS*.PPolyproline II helixtrans-78.5139.4177.8-178.80000108.5M6 K10M6-V8 PolarHBondContact O-N 3.29Å; V8-K10 PolarHBondContact O-N 2.91Å
9F89.4Confident74.5Confident39 Ų3996.5 Ų96.517%0.17151%0.507CS..  trans-60.192.7170.9-68.4-90.5000110.7Q11 E67 V70 V87 E89 V94F9-Q11 PolarHBondContact O-NE2 2.64Å; F9-E67 HydrophobicContact CE2-CG 4.27Å; F9-E67 HydrophobicContact CZ-CG 3.89Å; F9-V70 HydrophobicContact CE1-CG2 4.03Å; F9-V70 HydrophobicContact CE2-CG1 4.28Å; F9-V70 HydrophobicContact CZ-CB 4.01Å; F9-V70 HydrophobicContact CZ-CG1 3.89Å; F9-V70 HydrophobicContact CZ-CG2 3.93Å; F9-V87 HydrophobicContact CD1-CG1 3.39Å; F9-V87 HydrophobicContact CE1-CG1 3.63Å; F9-V87 HydrophobicContact CG-CG1 4.07Å; F9-V87 HydrophobicContact CZ-CG1 4.45Å; F9-E89 HydrophobicContact CB-CB 4.12Å; F9-E89 HydrophobicContact CD1-CB 4.07Å; F9-V94 HydrophobicContact CD1-CG1 4.26Å; F9-V94 HydrophobicContact CE1-CG1 4Å; F9-V94 HydrophobicContact CE1-CG2 4.44Å
10K93.8Very high75.7Confident65 Ų6593.4 Ų93.428%0.28349%0.491SS..BIsolated β-bridgetrans-60.6139.4177.5-69.7174.3179.31730110V8 E12 D86 V87 Y88 E89V8-K10 PolarHBondContact O-N 2.91Å; K10-E12 WeakPolarHBondContact CB-OE2 3.36Å; K10-D86 WeakPolarHBondContact CD-OD1 3.45Å; K10-D86 WeakPolarHBondContact CE-OD1 3.36Å; K10-D86 IonicContact NZ-OD1 2.74Å; K10-D86 PolarHBondContact NZ-OD1 2.78Å; K10-D86 IonicContact NZ-OD2 3.63Å; K10-D86 PolarHBondContact NZ-OD2 2.72Å; K10-V87 PolarHBondContact N-O 3.33Å; K10-Y88 HydrophobicContact CB-CD1 3.64Å; K10-Y88 HydrophobicContact CB-CE1 3.85Å; K10-Y88 HydrophobicContact CB-CG 4.1Å; K10-Y88 HydrophobicContact CD-CD1 4.26Å; K10-Y88 HydrophobicContact CD-CD2 4.5Å; K10-Y88 HydrophobicContact CD-CE1 3.74Å; K10-Y88 HydrophobicContact CD-CE2 3.98Å; K10-Y88 HydrophobicContact CG-CE1 4.45Å; K10-Y88 CarbonylContact O-C 3.57Å; K10-E89 PolarHBondContact O-N 3.01Å
11Q93.9Very high76.7Confident130 Ų13090.3 Ų90.361%0.60748%0.482SS*.  trans-104.9-5.8-176.7-57.2-63.9-67.800112.3F9F9-Q11 PolarHBondContact O-NE2 2.64Å
12E93.9Very high79.7Confident94 Ų9483.1 Ų83.144%0.43945%0.445SS..SBendtrans-66161.8170.7-50.292.6108.600111.5K10 V14 F17 Y88K10-E12 WeakPolarHBondContact CB-OE2 3.36Å; E12-V14 PolarHBondContact O-N 3.08Å; E12-F17 HydrophobicContact CB-CE2 3.72Å; E12-F17 HydrophobicContact CB-CZ 4.39Å; E12-F17 HydrophobicContact CG-CE2 4.31Å; E12-Y88 WeakPolarHBondContact O-CD1 3.47Å
13N94Very high82.6Confident64 Ų6476.5 Ų76.534%0.34243%0.425SS..  trans-75.8129.9176.1-172.712.6000110E15 D16 F17N13-E15 PolarHBondContact ND2-OE2 2.88Å; N13-E15 VanDerWaalsContact ND2-OE2 3.11Å; N13-E15 PolarHBondContact O-N 2.69Å; N13-E15 PolarHBondContact OD1-N 3.4Å; N13-D16 WeakPolarHBondContact CB-OD2 3.47Å; N13-D16 WeakPolarHBondContact O-CB 3.33Å; N13-D16 PolarHBondContact O-N 2.95Å; N13-F17 WeakPolarHBondContact O-CD2 3.2Å
14V96Very high85.3Confident7 Ų775.3 Ų75.34%0.04241%0.414CS..Hα-helixtrans-59.4-33.6175.967.40000111.7E12 D16 F17 Y18 F48 Y88 V95 I97E12-V14 PolarHBondContact O-N 3.08Å; V14-D16 PolarHBondContact O-N 2.67Å; V14-F17 PolarHBondContact O-N 2.84Å; V14-F17 VanDerWaalsContact O-N 3.16Å; V14-Y18 HydrophobicContact CG2-CD2 3.84Å; V14-Y18 HydrophobicContact CG2-CG 4.46Å; V14-Y18 PolarHBondContact O-N 2.96Å; V14-F48 HydrophobicContact CG1-CE1 4.26Å; V14-Y88 HydrophobicContact CB-CD1 4.13Å; V14-Y88 HydrophobicContact CB-CD2 4.26Å; V14-Y88 HydrophobicContact CB-CG 3.93Å; V14-Y88 HydrophobicContact CG2-CD2 3.91Å; V14-Y88 HydrophobicContact CG2-CE2 4.24Å; V14-Y88 HydrophobicContact CG2-CG 4.11Å; V14-V95 HydrophobicContact CG1-CG2 4.33Å; V14-V95 HydrophobicContact CG2-CG1 4.39Å; V14-I97 HydrophobicContact CG2-CD1 3.91Å
15E96.2Very high87.8Confident110 Ų11070.8 Ų70.851%0.51439%0.39SS..Hα-helixtrans-70.3-13.3178.4-52.7175.5133.600113.1N13 F17 I20 K38N13-E15 PolarHBondContact ND2-OE2 2.88Å; N13-E15 VanDerWaalsContact ND2-OE2 3.11Å; N13-E15 PolarHBondContact O-N 2.69Å; N13-E15 PolarHBondContact OD1-N 3.4Å; E15-F17 VanDerWaalsContact C-N 3.35Å; E15-I20 HydrophobicContact CG-CG1 4.21Å; E15-K38 PolarHBondContact O-NZ 3.44Å
16D96.8Very high89.7Confident102 Ų10271 Ų7155%0.54538%0.379SS..Hα-helixtrans-70.1-37.8172.1-62.8-25.5000109.9N13 V14 K38N13-D16 WeakPolarHBondContact CB-OD2 3.47Å; N13-D16 WeakPolarHBondContact O-CB 3.33Å; N13-D16 PolarHBondContact O-N 2.95Å; V14-D16 PolarHBondContact O-N 2.67Å; D16-K38 WeakPolarHBondContact O-CD 3.36Å; D16-K38 PolarHBondContact O-NZ 3.13Å
17F97.6Very high91Very high80 Ų8068.6 Ų68.635%0.35138%0.381SS..Hα-helixtrans-98.8-28-174.1-59.8-93.4000114.3E12 N13 V14 E15 K38 Y88E12-F17 HydrophobicContact CB-CE2 3.72Å; E12-F17 HydrophobicContact CB-CZ 4.39Å; E12-F17 HydrophobicContact CG-CE2 4.31Å; N13-F17 WeakPolarHBondContact O-CD2 3.2Å; V14-F17 PolarHBondContact O-N 2.84Å; V14-F17 VanDerWaalsContact O-N 3.16Å; E15-F17 VanDerWaalsContact C-N 3.35Å; F17-K38 WeakPolarHBondContact O-CB 3.43Å; F17-K38 WeakPolarHBondContact O-CG 3.49Å; F17-K38 PolarHBondContact O-N 2.86Å; F17-Y88 AromaticContact CD2-CE1 3.82Å; F17-Y88 HydrophobicContact CD2-CE1 3.82Å; F17-Y88 AromaticContact CD2-CZ 3.99Å; F17-Y88 WeakPolarHBondContact CD2-OH 3.33Å; F17-Y88 HydrophobicContact CE2-CE1 4.14Å; F17-Y88 WeakPolarHBondContact CG-OH 3.44Å
18Y98.3Very high92Very high4 Ų475.3 Ų75.32%0.01641%0.408CS..EExtended strand (participates in β ladder)trans-124.4136.4-175.2-62.9-97.9000112.1V14 C35 K36 E37 Y44 H85 D86 Y88 I97V14-Y18 HydrophobicContact CG2-CD2 3.84Å; V14-Y18 HydrophobicContact CG2-CG 4.46Å; V14-Y18 PolarHBondContact O-N 2.96Å; Y18-C35 HydrophobicContact CD1-CB 4.43Å; Y18-K36 CarbonylContact C-O 3.58Å; Y18-K36 VanDerWaalsContact CA-O 3.26Å; Y18-K36 WeakPolarHBondContact CA-O 3.47Å; Y18-E37 HydrophobicContact CD1-CB 3.94Å; Y18-E37 HydrophobicContact CD1-CG 4.33Å; Y18-E37 HydrophobicContact CE1-CB 3.68Å; Y18-E37 HydrophobicContact CE1-CG 3.84Å; Y18-Y44 AromaticContact CE1-CD2 3.91Å; Y18-Y44 HydrophobicContact CE1-CD2 3.91Å; Y18-Y44 HydrophobicContact CE1-CE2 4.35Å; Y18-H85 PolarHBondContact OH-CD2 3Å; Y18-D86 PolarHBondContact OH-OD2 3.05Å; Y18-Y88 HydrophobicContact CD2-CE2 4.36Å; Y18-Y88 AromaticContact CE2-CE2 3.68Å; Y18-Y88 HydrophobicContact CE2-CE2 3.68Å; Y18-I97 HydrophobicContact CD2-CD1 4.46Å; Y18-I97 HydrophobicContact CE1-CG1 4.4Å; Y18-I97 HydrophobicContact CE1-CG2 3.77Å; Y18-I97 HydrophobicContact CE2-CD1 4.4Å; Y18-I97 HydrophobicContact CE2-CG1 4.15Å
19D98.2Very high92.3Very high89 Ų8973 Ų7348%0.47639%0.389SS..EExtended strand (participates in β ladder)trans-79.8122.2164.5-65.3-44000108.9C35 K36 K38D19-C35 CarbonylContact O-C 3.5Å; D19-C35 WeakPolarHBondContact O-CA 3.45Å; D19-C35 WeakPolarHBondContact O-CB 3.4Å; D19-K36 PolarHBondContact N-O 3.3Å; D19-K36 PolarHBondContact O-N 2.85Å; D19-K38 WeakPolarHBondContact OD1-CE 3.48Å; D19-K38 IonicContact OD1-NZ 3.32Å
20I97.9Very high92.4Very high35 Ų3572.1 Ų72.118%0.17939%0.389CS..EExtended strand (participates in β ladder)trans-97.1112.5-174.8-45.8-57.3000111E15 R33 C35 F48E15-I20 HydrophobicContact CG-CG1 4.21Å; I20-R33 HydrophobicContact CG2-CB 4.01Å; I20-R33 VanDerWaalsContact CG2-CZ 3.47Å; I20-R33 PolarHBondContact O-NH2 3.42Å; I20-C35 HydrophobicContact CD1-CB 3.75Å; I20-F48 HydrophobicContact CD1-CZ 4.22Å; I20-F48 HydrophobicContact CG1-CZ 4.34Å; I20-F48 HydrophobicContact CG2-CE2 4.07Å; I20-F48 HydrophobicContact CG2-CZ 3.94Å
21G96Very high92.4Very high29 Ų2970.6 Ų70.630%0.29939%0.385SS..EExtended strand (participates in β ladder)trans-90.2-146.8-175.900000115R33 R34G21-R33 VanDerWaalsContact O-CZ 3.25Å; G21-R33 PolarHBondContact O-NE 3.37Å; G21-R33 PolarHBondContact O-NH2 3.48Å; G21-R34 WeakPolarHBondContact CA-O 3.44Å; G21-R34 PolarHBondContact N-O 2.8Å
22E95.1Very high92.4Very high95 Ų9566.4 Ų66.444%0.44437%0.368SS..EExtended strand (participates in β ladder)trans-66.1159.2-175.173.2-78.3-172.700114.1L24 R33 R34E22-L24 HydrophobicContact CG-CD2 4.22Å; E22-R33 CarbonylContact O-C 3.58Å; E22-R33 WeakPolarHBondContact O-CA 3.31Å; E22-R33 VanDerWaalsContact O-CB 3.31Å; E22-R33 WeakPolarHBondContact O-CB 3.4Å; E22-R34 HydrophobicContact CG-CB 4.49Å; E22-R34 PolarHBondContact O-N 2.83Å; E22-R34 WeakPolarHBondContact OE1-CD 3.43Å; E22-R34 IonicContact OE1-NH1 3.73Å; E22-R34 PolarHBondContact OE1-NH1 2.83Å; E22-R34 VanDerWaalsContact OE1-NH1 3.17Å; E22-R34 WeakPolarHBondContact OE2-CD 3.42Å
23E95.6Very high92.6Very high107 Ų10766.4 Ų66.450%0.536%0.364SS..EExtended strand (participates in β ladder)trans-75.5124.8168.7-174.3174.4132.400110S26 V31E23-S26 WeakPolarHBondContact OE1-CB 3.44Å; E23-S26 PolarHBondContact OE1-OG 3.02Å; E23-V31 HydrophobicContact CG-CG1 3.82Å; E23-V31 WeakPolarHBondContact OE2-CG1 3.32Å
24L89.7Confident92.8Very high84 Ų8466.5 Ų66.544%0.4436%0.36SS..EExtended strand (participates in β ladder)trans-91.2-26.6174.8-60175.7000111.3E22 V32 R34 A45 L100E22-L24 HydrophobicContact CG-CD2 4.22Å; L24-V32 HydrophobicContact CB-CG1 4.3Å; L24-V32 HydrophobicContact CD1-CG1 4.38Å; L24-V32 PolarHBondContact N-O 2.65Å; L24-R34 HydrophobicContact CD1-CB 4.25Å; L24-R34 HydrophobicContact CD2-CB 4.4Å; L24-R34 HydrophobicContact CG-CB 4.38Å; L24-A45 HydrophobicContact CD1-CB 4.25Å; L24-L100 HydrophobicContact CD1-CD1 3.69Å
25G86.9Confident92.8Very high31 Ų3166.2 Ų66.232%0.3236%0.358SS..EExtended strand (participates in β ladder)trans175.6161.917100000112.9V32G25-V32 PolarHBondContact N-O 3.24Å; G25-V32 PolarHBondContact O-N 2.64Å
26S83.9Confident93Very high85 Ų8565.5 Ų65.559%0.59435%0.353SS*.EExtended strand (participates in β ladder)trans-133.1136.5179.140.30000112.8E23E23-S26 WeakPolarHBondContact OE1-CB 3.44Å; E23-S26 PolarHBondContact OE1-OG 3.02Å
27G79.3Confident93Very high54 Ų5462 Ų6256%0.55733%0.334SS*.  trans-111.2-175172.700000111.9F29 A30G27-F29 VanDerWaalsContact C-N 3.3Å; G27-F29 PolarHBondContact O-N 3.18Å; G27-A30 PolarHBondContact N-O 3.48Å
28Q79.1Confident93.1Very high168 Ų16863 Ų6379%0.78534%0.338SS*.SBendtrans-61.1-34.3-172.9-171.4179.42.500114.2
29F86.2Confident93Very high62 Ų6267 Ų6727%0.27237%0.366SS..SBendtrans-133.23.3-177.1-56.8-58.8000114.1G27 K50 V61G27-F29 VanDerWaalsContact C-N 3.3Å; G27-F29 PolarHBondContact O-N 3.18Å; F29-K50 PolarHBondContact O-N 2.89Å; F29-V61 HydrophobicContact CB-CG2 3.68Å; F29-V61 HydrophobicContact CD2-CG2 4.22Å; F29-V61 HydrophobicContact CG-CG2 4.28Å
30A91.3Very high93Very high19 Ų1966.8 Ų66.816%0.15737%0.368CS..EExtended strand (participates in β ladder)trans-135149.6-17900000111.6G27 K47 F48 I49G27-A30 PolarHBondContact N-O 3.48Å; A30-K47 HydrophobicContact CB-CG 4.42Å; A30-F48 CarbonylContact C-O 3.36Å; A30-F48 WeakPolarHBondContact CA-O 3.36Å; A30-I49 HydrophobicContact CB-CG1 4.08Å
31V94.4Very high92.9Very high34 Ų3466.7 Ų66.721%0.20638%0.376CS..EExtended strand (participates in β ladder)trans-128.8132.4173.3-177.20000108.4E23 R33 F48E23-V31 HydrophobicContact CG-CG1 3.82Å; E23-V31 WeakPolarHBondContact OE2-CG1 3.32Å; V31-R33 HydrophobicContact CG1-CG 4.21Å; V31-F48 PolarHBondContact N-O 3.02Å; V31-F48 PolarHBondContact O-N 2.55Å
32V95.1Very high93Very high42 Ų4268.3 Ų68.326%0.25538%0.38SS..EExtended strand (participates in β ladder)trans-104124.6177-1730000108.6L24 G25 A45 A46 K47L24-V32 HydrophobicContact CB-CG1 4.3Å; L24-V32 HydrophobicContact CD1-CG1 4.38Å; L24-V32 PolarHBondContact N-O 2.65Å; G25-V32 PolarHBondContact N-O 3.24Å; G25-V32 PolarHBondContact O-N 2.64Å; V32-A45 HydrophobicContact CG1-CB 4.02Å; V32-A46 WeakPolarHBondContact CA-O 3.23Å; V32-K47 HydrophobicContact CG2-CB 4.2Å; V32-K47 HydrophobicContact CG2-CG 4.09Å
33R97Very high93.1Very high93 Ų9367.5 Ų67.535%0.35138%0.376SS..EExtended strand (participates in β ladder)trans-122150.9175.8-62179.567.3-176.3-5.2110.3I20 G21 E22 V31 A45 A46 F48I20-R33 HydrophobicContact CG2-CB 4.01Å; I20-R33 VanDerWaalsContact CG2-CZ 3.47Å; I20-R33 PolarHBondContact O-NH2 3.42Å; G21-R33 VanDerWaalsContact O-CZ 3.25Å; G21-R33 PolarHBondContact O-NE 3.37Å; G21-R33 PolarHBondContact O-NH2 3.48Å; E22-R33 CarbonylContact O-C 3.58Å; E22-R33 WeakPolarHBondContact O-CA 3.31Å; E22-R33 VanDerWaalsContact O-CB 3.31Å; E22-R33 WeakPolarHBondContact O-CB 3.4Å; V31-R33 HydrophobicContact CG1-CG 4.21Å; R33-A45 CarbonylContact O-C 3.46Å; R33-A45 WeakPolarHBondContact O-CA 3.48Å; R33-A46 PolarHBondContact N-O 2.66Å; R33-A46 PolarHBondContact O-N 3.09Å; R33-F48 HydrophobicContact CB-CE2 4.25Å; R33-F48 HydrophobicContact CG-CE2 4.36Å
34R97.3Very high93.2Very high67 Ų6763.9 Ų63.925%0.25336%0.358SS..EExtended strand (participates in β ladder)trans-61.7143.2164-164.2-159.6-159.989.62107.8G21 E22 L24 E43 L100G21-R34 WeakPolarHBondContact CA-O 3.44Å; G21-R34 PolarHBondContact N-O 2.8Å; E22-R34 HydrophobicContact CG-CB 4.49Å; E22-R34 PolarHBondContact O-N 2.83Å; E22-R34 WeakPolarHBondContact OE1-CD 3.43Å; E22-R34 IonicContact OE1-NH1 3.73Å; E22-R34 PolarHBondContact OE1-NH1 2.83Å; E22-R34 VanDerWaalsContact OE1-NH1 3.17Å; E22-R34 WeakPolarHBondContact OE2-CD 3.42Å; L24-R34 HydrophobicContact CD1-CB 4.25Å; L24-R34 HydrophobicContact CD2-CB 4.4Å; L24-R34 HydrophobicContact CG-CB 4.38Å; R34-E43 IonicContact CZ-OE1 3.41Å; R34-E43 IonicContact CZ-OE2 3.35Å; R34-E43 IonicContact NE-OE1 2.64Å; R34-E43 PolarHBondContact NE-OE1 2.85Å; R34-E43 IonicContact NE-OE2 2.83Å; R34-E43 VanDerWaalsContact NH2-CD 3.27Å; R34-E43 IonicContact NH2-OE1 2.78Å; R34-E43 PolarHBondContact NH2-OE1 3.18Å; R34-E43 IonicContact NH2-OE2 3.07Å; R34-E43 PolarHBondContact NH2-OE2 3.14Å; R34-L100 HydrophobicContact CG-CD2 4.18Å
35C98Very high93.6Very high1 Ų160.3 Ų60.31%0.00734%0.341CS..EExtended strand (participates in β ladder)trans-140.5164164.165.10000111.1Y18 D19 I20 E43 Y44 A46Y18-C35 HydrophobicContact CD1-CB 4.43Å; D19-C35 CarbonylContact O-C 3.5Å; D19-C35 WeakPolarHBondContact O-CA 3.45Å; D19-C35 WeakPolarHBondContact O-CB 3.4Å; I20-C35 HydrophobicContact CD1-CB 3.75Å; C35-E43 WeakPolarHBondContact O-CA 3.3Å; C35-Y44 PolarHBondContact N-O 3.07Å; C35-Y44 PolarHBondContact O-N 3.14Å; C35-A46 HydrophobicContact CB-CB 4.19Å
36K98.4Very high94.1Very high94 Ų9458.9 Ų58.941%0.40933%0.326SS..EExtended strand (participates in β ladder)trans-132.4125.1179.7-176175.4-177.8175.80109.8Y18 D19 K38 G41 T42 E43Y18-K36 CarbonylContact C-O 3.58Å; Y18-K36 VanDerWaalsContact CA-O 3.26Å; Y18-K36 WeakPolarHBondContact CA-O 3.47Å; D19-K36 PolarHBondContact N-O 3.3Å; D19-K36 PolarHBondContact O-N 2.85Å; K36-K38 PolarHBondContact O-N 2.96Å; K36-G41 WeakPolarHBondContact CE-O 3.41Å; K36-T42 CarbonylContact C-O 3.53Å; K36-T42 WeakPolarHBondContact CA-O 3.5Å; K36-E43 HydrophobicContact CB-CG 4.44Å; K36-E43 HydrophobicContact CD-CG 4.43Å; K36-E43 HydrophobicContact CG-CG 4.2Å
37E98.3Very high94.7Very high30 Ų3055.7 Ų55.714%0.1430%0.301CS..EExtended strand (participates in β ladder)trans-70.8124178.3-164.3-153.9163.600109.5Y18 S39 T40 G41 T42 Y44Y18-E37 HydrophobicContact CD1-CB 3.94Å; Y18-E37 HydrophobicContact CD1-CG 4.33Å; Y18-E37 HydrophobicContact CE1-CB 3.68Å; Y18-E37 HydrophobicContact CE1-CG 3.84Å; E37-S39 VanDerWaalsContact C-N 3.3Å; E37-S39 VanDerWaalsContact CD-OG 3.22Å; E37-S39 WeakPolarHBondContact CG-OG 3.43Å; E37-S39 PolarHBondContact O-N 3.3Å; E37-S39 PolarHBondContact OE1-OG 3.19Å; E37-T40 WeakPolarHBondContact OE2-CB 3.44Å; E37-T40 WeakPolarHBondContact OE2-CG2 3.21Å; E37-T40 PolarHBondContact OE2-OG1 2.91Å; E37-G41 VanDerWaalsContact O-CA 3.24Å; E37-G41 WeakPolarHBondContact O-CA 3.41Å; E37-G41 PolarHBondContact O-N 3.45Å; E37-T42 PolarHBondContact N-O 2.87Å; E37-Y44 HydrophobicContact CB-CD2 4.3Å; E37-Y44 HydrophobicContact CB-CE2 3.96Å
38K98.2Very high95.5Very high101 Ų10154.5 Ų54.544%0.43928%0.281SS..THydrogen-bonded Turntrans-69-27.9-173.4-69.3168.9178.7172.40113.6E15 D16 F17 D19 K36E15-K38 PolarHBondContact O-NZ 3.44Å; D16-K38 WeakPolarHBondContact O-CD 3.36Å; D16-K38 PolarHBondContact O-NZ 3.13Å; F17-K38 WeakPolarHBondContact O-CB 3.43Å; F17-K38 WeakPolarHBondContact O-CG 3.49Å; F17-K38 PolarHBondContact O-N 2.86Å; D19-K38 WeakPolarHBondContact OD1-CE 3.48Å; D19-K38 IonicContact OD1-NZ 3.32Å; K36-K38 PolarHBondContact O-N 2.96Å
39S97.3Very high96.3Very high87 Ų8746.6 Ų46.661%0.60824%0.244SC*.THydrogen-bonded Turntrans-72.4-42.9-17911.50000113.1E37E37-S39 VanDerWaalsContact C-N 3.3Å; E37-S39 VanDerWaalsContact CD-OG 3.22Å; E37-S39 WeakPolarHBondContact CG-OG 3.43Å; E37-S39 PolarHBondContact O-N 3.3Å; E37-S39 PolarHBondContact OE1-OG 3.19Å
40T97.3Very high96.6Very high84 Ų8449.1 Ų49.152%0.51526%0.255SS..THydrogen-bonded Turntrans-107.8-23-174.566.70000113.2E37 T42E37-T40 WeakPolarHBondContact OE2-CB 3.44Å; E37-T40 WeakPolarHBondContact OE2-CG2 3.21Å; E37-T40 PolarHBondContact OE2-OG1 2.91Å; T40-T42 WeakPolarHBondContact CB-OG1 3.4Å; T40-T42 VanDerWaalsContact OG1-CB 3.23Å; T40-T42 WeakPolarHBondContact OG1-CB 3.18Å; T40-T42 PolarHBondContact OG1-N 2.77Å; T40-T42 PolarHBondContact OG1-OG1 2.92Å
41G96.8Very high96.7Very high33 Ų3349.9 Ų49.934%0.3426%0.255SS..  trans75.17.4-16700000114.2K36 E37K36-G41 WeakPolarHBondContact CE-O 3.41Å; E37-G41 VanDerWaalsContact O-CA 3.24Å; E37-G41 WeakPolarHBondContact O-CA 3.41Å; E37-G41 PolarHBondContact O-N 3.45Å
42T97.6Very high96.5Very high63 Ų6351.5 Ų51.539%0.38726%0.257SS..  trans-72.2145.1178.4-50.40000111K36 E37 T40 Y44K36-T42 CarbonylContact C-O 3.53Å; K36-T42 WeakPolarHBondContact CA-O 3.5Å; E37-T42 PolarHBondContact N-O 2.87Å; T40-T42 WeakPolarHBondContact CB-OG1 3.4Å; T40-T42 VanDerWaalsContact OG1-CB 3.23Å; T40-T42 WeakPolarHBondContact OG1-CB 3.18Å; T40-T42 PolarHBondContact OG1-N 2.77Å; T40-T42 PolarHBondContact OG1-OG1 2.92Å; T42-Y44 HydrophobicContact CG2-CD2 4.41Å; T42-Y44 HydrophobicContact CG2-CE1 4.35Å; T42-Y44 HydrophobicContact CG2-CE2 3.64Å
43E97.7Very high95.9Very high79 Ų7957.7 Ų57.737%0.36928%0.283SS..EExtended strand (participates in β ladder)trans-105.9138.7-176.1-56.8-168.1108.200112.4R34 C35 K36 L100R34-E43 IonicContact CZ-OE1 3.41Å; R34-E43 IonicContact CZ-OE2 3.35Å; R34-E43 IonicContact NE-OE1 2.64Å; R34-E43 PolarHBondContact NE-OE1 2.85Å; R34-E43 IonicContact NE-OE2 2.83Å; R34-E43 VanDerWaalsContact NH2-CD 3.27Å; R34-E43 IonicContact NH2-OE1 2.78Å; R34-E43 PolarHBondContact NH2-OE1 3.18Å; R34-E43 IonicContact NH2-OE2 3.07Å; R34-E43 PolarHBondContact NH2-OE2 3.14Å; C35-E43 WeakPolarHBondContact O-CA 3.3Å; K36-E43 HydrophobicContact CB-CG 4.44Å; K36-E43 HydrophobicContact CD-CG 4.43Å; K36-E43 HydrophobicContact CG-CG 4.2Å; E43-L100 HydrophobicContact CB-CD2 3.73Å
44Y98.2Very high94.9Very high31 Ų3156.2 Ų56.212%0.12229%0.287CS..EExtended strand (participates in β ladder)trans-139.2173.3-170.7-64.8-81.1000110.8Y18 C35 E37 T42 H85 I97 L98Y18-Y44 AromaticContact CE1-CD2 3.91Å; Y18-Y44 HydrophobicContact CE1-CD2 3.91Å; Y18-Y44 HydrophobicContact CE1-CE2 4.35Å; C35-Y44 PolarHBondContact N-O 3.07Å; C35-Y44 PolarHBondContact O-N 3.14Å; E37-Y44 HydrophobicContact CB-CD2 4.3Å; E37-Y44 HydrophobicContact CB-CE2 3.96Å; T42-Y44 HydrophobicContact CG2-CD2 4.41Å; T42-Y44 HydrophobicContact CG2-CE1 4.35Å; T42-Y44 HydrophobicContact CG2-CE2 3.64Å; Y44-H85 HydrophobicContact CD1-CB 4.07Å; Y44-H85 HydrophobicContact CE1-CB 3.76Å; Y44-H85 AromaticContact CE1-CD2 3.69Å; Y44-H85 AromaticContact CE1-CG 3.5Å; Y44-H85 VanDerWaalsContact CE1-CG 3.5Å; Y44-H85 AromaticContact CE1-ND1 3.91Å; Y44-H85 AromaticContact CZ-CD2 3.6Å; Y44-H85 AromaticContact CZ-CE1 3.92Å; Y44-H85 AromaticContact CZ-CG 3.79Å; Y44-H85 AromaticContact CZ-ND1 3.97Å; Y44-H85 AromaticContact CZ-NE2 3.71Å; Y44-H85 PolarHBondContact OH-CE1 2.85Å; Y44-H85 PolarHBondContact OH-NE2 3.11Å; Y44-I97 HydrophobicContact CD1-CG2 4Å; Y44-I97 HydrophobicContact CD2-CG2 4.26Å; Y44-I97 HydrophobicContact CG-CG2 3.7Å; Y44-L98 WeakPolarHBondContact CA-O 3.39Å; Y44-L98 WeakPolarHBondContact CB-O 3.39Å
45A97.7Very high93.6Very high9 Ų963.2 Ų63.27%0.07431%0.314CS..EExtended strand (participates in β ladder)trans-112.5115.7170.600000110.3L24 V32 R33 L98 L100L24-A45 HydrophobicContact CD1-CB 4.25Å; V32-A45 HydrophobicContact CG1-CB 4.02Å; R33-A45 CarbonylContact O-C 3.46Å; R33-A45 WeakPolarHBondContact O-CA 3.48Å; A45-L98 HydrophobicContact CB-CB 4.47Å; A45-L98 PolarHBondContact N-O 3.22Å; A45-L98 PolarHBondContact O-N 3.23Å; A45-L100 HydrophobicContact CB-CD1 4.25Å
46A97.8Very high92.5Very high0 Ų069.4 Ų69.40%035%0.351CS..EExtended strand (participates in β ladder)trans-89.7109.417600000110.6V32 R33 C35 F48 V95 L96 I97V32-A46 WeakPolarHBondContact CA-O 3.23Å; R33-A46 PolarHBondContact N-O 2.66Å; R33-A46 PolarHBondContact O-N 3.09Å; C35-A46 HydrophobicContact CB-CB 4.19Å; A46-F48 HydrophobicContact CB-CD2 4.17Å; A46-F48 HydrophobicContact CB-CE2 3.53Å; A46-F48 HydrophobicContact CB-CZ 4.15Å; A46-F48 WeakPolarHBondContact O-CD2 3.23Å; A46-V95 HydrophobicContact CB-CG1 3.91Å; A46-L96 CarbonylContact C-O 3.45Å; A46-L96 WeakPolarHBondContact CA-O 3.27Å; A46-I97 HydrophobicContact CB-CD1 3.93Å
47K96.6Very high91.4Very high18 Ų1866.6 Ų66.68%0.07834%0.344CS..EExtended strand (participates in β ladder)trans-91.898.7174.4-177.7178.3174.2-172.40109.6A30 V32 I49 E69 V95 L96 L98 D166A30-K47 HydrophobicContact CB-CG 4.42Å; V32-K47 HydrophobicContact CG2-CB 4.2Å; V32-K47 HydrophobicContact CG2-CG 4.09Å; K47-I49 HydrophobicContact CD-CD1 4.23Å; K47-I49 HydrophobicContact CD-CG1 4.41Å; K47-I49 HydrophobicContact CG-CD1 4.25Å; K47-I49 HydrophobicContact CG-CG1 3.94Å; K47-E69 IonicContact NZ-OE1 3.42Å; K47-E69 PolarHBondContact NZ-OE1 2.86Å; K47-E69 IonicContact NZ-OE2 3.63Å; K47-E69 PolarHBondContact NZ-OE2 2.64Å; K47-V95 WeakPolarHBondContact O-CA 3.35Å; K47-L96 HydrophobicContact CB-CB 4.32Å; K47-L96 PolarHBondContact N-O 3.41Å; K47-L96 PolarHBondContact O-N 3.38Å; K47-L98 HydrophobicContact CB-CD1 4.14Å; K47-L98 HydrophobicContact CD-CD1 4.34Å; K47-D166 IonicContact NZ-OD1 2.77Å; K47-D166 PolarHBondContact NZ-OD1 3.32Å
48F96.3Very high90.3Very high29 Ų2976.6 Ų76.613%0.12738%0.38CS..EExtended strand (participates in β ladder)trans-81.8111.2177.4-64.7-102.7000110.2V14 I20 A30 V31 R33 A46 V95V14-F48 HydrophobicContact CG1-CE1 4.26Å; I20-F48 HydrophobicContact CD1-CZ 4.22Å; I20-F48 HydrophobicContact CG1-CZ 4.34Å; I20-F48 HydrophobicContact CG2-CE2 4.07Å; I20-F48 HydrophobicContact CG2-CZ 3.94Å; A30-F48 CarbonylContact C-O 3.36Å; A30-F48 WeakPolarHBondContact CA-O 3.36Å; V31-F48 PolarHBondContact N-O 3.02Å; V31-F48 PolarHBondContact O-N 2.55Å; R33-F48 HydrophobicContact CB-CE2 4.25Å; R33-F48 HydrophobicContact CG-CE2 4.36Å; A46-F48 HydrophobicContact CB-CD2 4.17Å; A46-F48 HydrophobicContact CB-CE2 3.53Å; A46-F48 HydrophobicContact CB-CZ 4.15Å; A46-F48 WeakPolarHBondContact O-CD2 3.23Å; F48-V95 HydrophobicContact CD1-CB 4.39Å; F48-V95 HydrophobicContact CD1-CG1 4.05Å; F48-V95 HydrophobicContact CD1-CG2 3.44Å; F48-V95 VanDerWaalsContact CD1-CG2 3.44Å; F48-V95 HydrophobicContact CD2-CG1 4.25Å; F48-V95 HydrophobicContact CE1-CG1 4.03Å; F48-V95 HydrophobicContact CE1-CG2 3.73Å; F48-V95 HydrophobicContact CE2-CG1 4.23Å; F48-V95 HydrophobicContact CG-CG1 4.14Å; F48-V95 HydrophobicContact CG-CG2 4.11Å; F48-V95 HydrophobicContact CZ-CG1 4.11Å
49I94.7Very high89.5Confident3 Ų381.6 Ų81.62%0.01540%0.396CS..EExtended strand (participates in β ladder)trans-111.2114.5-175.4-50.4173.3000110.7A30 K47 K51 V61 I66 E93 V94 L96A30-I49 HydrophobicContact CB-CG1 4.08Å; K47-I49 HydrophobicContact CD-CD1 4.23Å; K47-I49 HydrophobicContact CD-CG1 4.41Å; K47-I49 HydrophobicContact CG-CD1 4.25Å; K47-I49 HydrophobicContact CG-CG1 3.94Å; I49-K51 PolarHBondContact O-N 2.9Å; I49-V61 HydrophobicContact CG2-CB 4.05Å; I49-V61 HydrophobicContact CG2-CG2 3.7Å; I49-I66 HydrophobicContact CB-CD1 4.5Å; I49-I66 HydrophobicContact CD1-CG2 4.47Å; I49-I66 HydrophobicContact CG2-CD1 3.9Å; I49-I66 HydrophobicContact CG2-CG1 3.95Å; I49-E93 VanDerWaalsContact O-CA 3.27Å; I49-E93 WeakPolarHBondContact O-CA 3.2Å; I49-E93 VanDerWaalsContact O-CB 3.26Å; I49-E93 WeakPolarHBondContact O-CB 3.43Å; I49-V94 PolarHBondContact N-O 3Å; I49-V94 PolarHBondContact O-N 3.47Å; I49-L96 HydrophobicContact CD1-CD1 3.87Å; I49-L96 HydrophobicContact CD1-CG 4.08Å
50K93.8Very high88.9Confident114 Ų11477.9 Ų77.950%0.49637%0.372SS..EExtended strand (participates in β ladder)trans-74122.3-175.8-68.4175.8-179.9170.70111.2F29 G60 V61F29-K50 PolarHBondContact O-N 2.89Å; K50-G60 CarbonylContact O-C 3.52Å; K50-G60 WeakPolarHBondContact O-CA 3.49Å; K50-V61 PolarHBondContact O-N 2.93Å
51K92.8Very high88.4Confident36 Ų3675.5 Ų75.516%0.15736%0.357CS..BIsolated β-bridgetrans-76.4142.4-179.4-73-175.9-74.3171.80112.4I49 Q53 I66 E89 N90 R91 A92 E93 V94I49-K51 PolarHBondContact O-N 2.9Å; K51-Q53 PolarHBondContact O-N 3.01Å; K51-I66 HydrophobicContact CG-CD1 3.76Å; K51-E89 WeakPolarHBondContact CD-OE1 3.26Å; K51-E89 WeakPolarHBondContact CE-OE1 3.44Å; K51-E89 IonicContact NZ-OE1 2.68Å; K51-E89 PolarHBondContact NZ-OE1 2.59Å; K51-N90 VanDerWaalsContact CE-O 3.3Å; K51-N90 WeakPolarHBondContact CE-O 3.49Å; K51-N90 PolarHBondContact NZ-O 2.9Å; K51-R91 PolarHBondContact NZ-O 3.18Å; K51-A92 WeakPolarHBondContact CB-O 3.36Å; K51-A92 PolarHBondContact N-O 3.4Å; K51-E93 WeakPolarHBondContact CE-O 3.28Å; K51-V94 HydrophobicContact CD-CG2 3.95Å; K51-V94 HydrophobicContact CG-CG2 4.19Å
52R90.5Very high88.1Confident67 Ų6777.7 Ų77.725%0.25336%0.357SS..  trans-77.398.6176.5-163.7172.775.3120.7-3.3111.6S54 R55 S57 G60 V61R52-S54 PolarHBondContact O-N 3.34Å; R52-R55 PolarHBondContact NH1-O 3.33Å; R52-S57 WeakPolarHBondContact CD-O 3.41Å; R52-S57 PolarHBondContact NH1-O 2.99Å; R52-G60 WeakPolarHBondContact CB-O 3.17Å; R52-V61 WeakPolarHBondContact CB-O 3.44Å; R52-V61 PolarHBondContact N-O 2.73Å
53Q81.8Confident87.8Confident172 Ų17279.5 Ų79.580%0.80436%0.356SS*.  trans-60.2-14.9-174.2-66.9-178.2-19.400116.4K51K51-Q53 PolarHBondContact O-N 3.01Å
54S75.4Confident87.4Confident63 Ų6380.8 Ų80.844%0.44136%0.362SS..SBendtrans-156.4151.1178.8169.90000111.2R52 V56 S57R52-S54 PolarHBondContact O-N 3.34Å; S54-V56 PolarHBondContact O-N 2.95Å; S54-V56 VanDerWaalsContact O-N 3.13Å; S54-V56 PolarHBondContact OG-N 2.8Å; S54-S57 WeakPolarHBondContact O-CB 3.33Å; S54-S57 PolarHBondContact O-N 2.68Å
55R70.8Confident87.1Confident213 Ų21382 Ų8280%0.80437%0.369SS*.THydrogen-bonded Turntrans-55.7-27.3173.2-81-174.5164.9-168.8-5.5113.6R52R52-R55 PolarHBondContact NH1-O 3.33Å
56V74.4Confident86.9Confident131 Ų13181.6 Ų81.679%0.79437%0.366SS*.THydrogen-bonded Turntrans-87.4-16.6178.7-170.80000112.3S54 R58S54-V56 PolarHBondContact O-N 2.95Å; S54-V56 VanDerWaalsContact O-N 3.13Å; S54-V56 PolarHBondContact OG-N 2.8Å; V56-R58 PolarHBondContact O-N 3.02Å
57S75.2Confident86.6Confident36 Ų3684.4 Ų84.425%0.25238%0.379SS..  trans-65.2135.6177.3-178.60000111.2R52 S54 R59R52-S57 WeakPolarHBondContact CD-O 3.41Å; R52-S57 PolarHBondContact NH1-O 2.99Å; S54-S57 WeakPolarHBondContact O-CB 3.33Å; S54-S57 PolarHBondContact O-N 2.68Å; S57-R59 PolarHBondContact OG-N 3.21Å; S57-R59 PolarHBondContact OG-O 2.69Å
58R74.8Confident86.6Confident239 Ų23987 Ų8790%0.90239%0.388SS*.SBendtrans-95.68.3168.3-59.1-174.8-177-176.80.6112.9V56V56-R58 PolarHBondContact O-N 3.02Å
59R82.6Confident86.5Confident207 Ų20786.2 Ų86.278%0.78139%0.385SS*.SBendtrans-119.4131.4178.9-67.6-178.6177.5173.2-1.1110.7S57S57-R59 PolarHBondContact OG-N 3.21Å; S57-R59 PolarHBondContact OG-O 2.69Å
60G85Confident86.5Confident9 Ų986.1 Ų86.19%0.09339%0.385CS..SBendtrans93159.3-179.600000113.6K50 R52K50-G60 CarbonylContact O-C 3.52Å; K50-G60 WeakPolarHBondContact O-CA 3.49Å; R52-G60 WeakPolarHBondContact CB-O 3.17Å
61V87Confident86.6Confident33 Ų3384.3 Ų84.320%0.238%0.38CS..BIsolated β-bridgetrans-84.4149.6-179.9-173.40000110.3F29 I49 K50 R52 E65 I66F29-V61 HydrophobicContact CB-CG2 3.68Å; F29-V61 HydrophobicContact CD2-CG2 4.22Å; F29-V61 HydrophobicContact CG-CG2 4.28Å; I49-V61 HydrophobicContact CG2-CB 4.05Å; I49-V61 HydrophobicContact CG2-CG2 3.7Å; K50-V61 PolarHBondContact O-N 2.93Å; R52-V61 WeakPolarHBondContact CB-O 3.44Å; R52-V61 PolarHBondContact N-O 2.73Å; V61-E65 HydrophobicContact CG1-CB 3.67Å; V61-I66 HydrophobicContact CB-CD1 4.16Å; V61-I66 HydrophobicContact CB-CG1 4Å; V61-I66 HydrophobicContact CG1-CD1 4.47Å; V61-I66 HydrophobicContact CG1-CG1 3.8Å
62K90.3Very high86.8Confident80 Ų8082.9 Ų82.935%0.34837%0.374SS..  trans-66.9150.8176.1-58-172.1-163.485.50110.5E64 E65 I66K62-E64 VanDerWaalsContact C-N 3.25Å; K62-E64 WeakPolarHBondContact CB-OE2 3.31Å; K62-E64 PolarHBondContact O-N 3.18Å; K62-E65 HydrophobicContact CB-CB 4.22Å; K62-E65 HydrophobicContact CB-CG 4.03Å; K62-E65 WeakPolarHBondContact CB-OE2 3.32Å; K62-E65 WeakPolarHBondContact CD-OE1 3.29Å; K62-E65 WeakPolarHBondContact CG-OE2 3.45Å; K62-E65 PolarHBondContact N-OE2 2.82Å; K62-E65 IonicContact NZ-OE1 2.83Å; K62-E65 PolarHBondContact NZ-OE1 3.29Å; K62-E65 IonicContact NZ-OE2 3.08Å; K62-E65 PolarHBondContact O-N 3.36Å; K62-E65 VanDerWaalsContact O-N 3.14Å; K62-I66 WeakPolarHBondContact O-CG1 3.44Å; K62-I66 PolarHBondContact O-N 3.15Å
63R89.4Confident87Confident100 Ų10079.9 Ų79.938%0.37736%0.364SS..Hα-helixtrans-61.8-42.3176.6-168.3-171.2172.979.628.1109.9E65 I66 E67 E89R63-E65 PolarHBondContact O-N 2.75Å; R63-I66 PolarHBondContact O-N 2.99Å; R63-I66 VanDerWaalsContact O-N 3.14Å; R63-E67 HydrophobicContact CG-CG 4.16Å; R63-E67 IonicContact CZ-OE1 2.65Å; R63-E67 VanDerWaalsContact CZ-OE1 3.22Å; R63-E67 VanDerWaalsContact NE-CD 3.35Å; R63-E67 IonicContact NE-OE1 3.9Å; R63-E67 PolarHBondContact NE-OE1 3.22Å; R63-E67 IonicContact NE-OE2 2.87Å; R63-E67 IonicContact NH2-OE1 2.64Å; R63-E67 PolarHBondContact NH2-OE1 3.39Å; R63-E67 WeakPolarHBondContact O-CB 3.31Å; R63-E67 WeakPolarHBondContact O-CG 3.17Å; R63-E67 PolarHBondContact O-N 3Å; R63-E89 IonicContact CZ-OE1 2.95Å; R63-E89 IonicContact CZ-OE2 3.22Å; R63-E89 VanDerWaalsContact NH1-CD 3.28Å; R63-E89 IonicContact NH1-OE1 3.78Å; R63-E89 PolarHBondContact NH1-OE1 2.96Å; R63-E89 IonicContact NH1-OE2 2.88Å; R63-E89 PolarHBondContact NH1-OE2 3.32Å; R63-E89 VanDerWaalsContact NH1-OE2 3.08Å; R63-E89 IonicContact NH2-OE1 2.69Å; R63-E89 IonicContact NH2-OE2 3.64Å; R63-E89 PolarHBondContact NH2-OE2 3.17Å
64E90.8Very high87.6Confident106 Ų10674 Ų7450%0.49534%0.336SS..Hα-helixtrans-68.4-2.4178.5-44.594.6127.900114.2K62 R68K62-E64 VanDerWaalsContact C-N 3.25Å; K62-E64 WeakPolarHBondContact CB-OE2 3.31Å; K62-E64 PolarHBondContact O-N 3.18Å; E64-R68 PolarHBondContact O-NH2 3.49Å
65E91.4Very high88.5Confident56 Ų5674.9 Ų74.926%0.26233%0.333SS..Hα-helixtrans-103.2-44.5171.1-75.4158.5178.700110.6V61 K62 R63 R68 E69V61-E65 HydrophobicContact CG1-CB 3.67Å; K62-E65 HydrophobicContact CB-CB 4.22Å; K62-E65 HydrophobicContact CB-CG 4.03Å; K62-E65 WeakPolarHBondContact CB-OE2 3.32Å; K62-E65 WeakPolarHBondContact CD-OE1 3.29Å; K62-E65 WeakPolarHBondContact CG-OE2 3.45Å; K62-E65 PolarHBondContact N-OE2 2.82Å; K62-E65 IonicContact NZ-OE1 2.83Å; K62-E65 PolarHBondContact NZ-OE1 3.29Å; K62-E65 IonicContact NZ-OE2 3.08Å; K62-E65 PolarHBondContact O-N 3.36Å; K62-E65 VanDerWaalsContact O-N 3.14Å; R63-E65 PolarHBondContact O-N 2.75Å; E65-R68 PolarHBondContact O-N 2.99Å; E65-E69 PolarHBondContact O-N 2.9Å; E65-E69 VanDerWaalsContact O-N 3.07Å
66I92.7Very high89.7Confident2 Ų265.2 Ų65.21%0.0130%0.297CS..Hα-helixtrans-64.1-44.7175.2-56.8167.8000111I49 K51 V61 K62 R63 R68 E69 V70 V94I49-I66 HydrophobicContact CB-CD1 4.5Å; I49-I66 HydrophobicContact CD1-CG2 4.47Å; I49-I66 HydrophobicContact CG2-CD1 3.9Å; I49-I66 HydrophobicContact CG2-CG1 3.95Å; K51-I66 HydrophobicContact CG-CD1 3.76Å; V61-I66 HydrophobicContact CB-CD1 4.16Å; V61-I66 HydrophobicContact CB-CG1 4Å; V61-I66 HydrophobicContact CG1-CD1 4.47Å; V61-I66 HydrophobicContact CG1-CG1 3.8Å; K62-I66 WeakPolarHBondContact O-CG1 3.44Å; K62-I66 PolarHBondContact O-N 3.15Å; R63-I66 PolarHBondContact O-N 2.99Å; R63-I66 VanDerWaalsContact O-N 3.14Å; I66-R68 PolarHBondContact O-N 3.36Å; I66-E69 PolarHBondContact O-N 3.37Å; I66-V70 WeakPolarHBondContact O-CG2 3.35Å; I66-V70 PolarHBondContact O-N 2.89Å; I66-V94 HydrophobicContact CD1-CG2 4.37Å; I66-V94 HydrophobicContact CG2-CB 3.88Å; I66-V94 HydrophobicContact CG2-CG1 3.84Å; I66-V94 HydrophobicContact CG2-CG2 3.97Å
67E93.4Very high90.7Very high58 Ų5865.2 Ų65.227%0.27129%0.289SS..Hα-helixtrans-60.4-34.7177.8-73174.3145.500111.5F9 R63 V70 D71F9-E67 HydrophobicContact CE2-CG 4.27Å; F9-E67 HydrophobicContact CZ-CG 3.89Å; R63-E67 HydrophobicContact CG-CG 4.16Å; R63-E67 IonicContact CZ-OE1 2.65Å; R63-E67 VanDerWaalsContact CZ-OE1 3.22Å; R63-E67 VanDerWaalsContact NE-CD 3.35Å; R63-E67 IonicContact NE-OE1 3.9Å; R63-E67 PolarHBondContact NE-OE1 3.22Å; R63-E67 IonicContact NE-OE2 2.87Å; R63-E67 IonicContact NH2-OE1 2.64Å; R63-E67 PolarHBondContact NH2-OE1 3.39Å; R63-E67 WeakPolarHBondContact O-CB 3.31Å; R63-E67 WeakPolarHBondContact O-CG 3.17Å; R63-E67 PolarHBondContact O-N 3Å; E67-V70 PolarHBondContact O-N 2.94Å; E67-D71 WeakPolarHBondContact O-CB 3.28Å; E67-D71 PolarHBondContact O-N 2.97Å
68R94.6Very high91.8Very high72 Ų7265.4 Ų65.427%0.27229%0.285SS..Hα-helixtrans-70.9-41175.5-167.3-161.2-45124.219.3112.7E64 E65 I66 V70 D71 I72 A170 H171E64-R68 PolarHBondContact O-NH2 3.49Å; E65-R68 PolarHBondContact O-N 2.99Å; I66-R68 PolarHBondContact O-N 3.36Å; R68-V70 VanDerWaalsContact C-N 3.29Å; R68-D71 PolarHBondContact O-N 3.11Å; R68-I72 HydrophobicContact CG-CD1 4.02Å; R68-I72 WeakPolarHBondContact O-CB 3.5Å; R68-I72 VanDerWaalsContact O-CG1 3.32Å; R68-I72 WeakPolarHBondContact O-CG1 3.14Å; R68-I72 PolarHBondContact O-N 2.95Å; R68-A170 WeakPolarHBondContact CD-O 3.46Å; R68-H171 WeakPolarHBondContact CD-ND1 3.41Å
69E94.9Very high92.9Very high14 Ų1457.2 Ų57.27%0.06526%0.263CS..Hα-helixtrans-59.5-44.8173.8-177.3176.9177.300109.7K47 E65 I66 L73 L96 F167K47-E69 IonicContact NZ-OE1 3.42Å; K47-E69 PolarHBondContact NZ-OE1 2.86Å; K47-E69 IonicContact NZ-OE2 3.63Å; K47-E69 PolarHBondContact NZ-OE2 2.64Å; E65-E69 PolarHBondContact O-N 2.9Å; E65-E69 VanDerWaalsContact O-N 3.07Å; I66-E69 PolarHBondContact O-N 3.37Å; E69-L73 HydrophobicContact CG-CD1 3.85Å; E69-L73 HydrophobicContact CG-CG 4.45Å; E69-L73 VanDerWaalsContact O-CB 3.28Å; E69-L73 WeakPolarHBondContact O-CB 3.44Å; E69-L73 WeakPolarHBondContact O-CG 3.41Å; E69-L73 PolarHBondContact O-N 2.97Å; E69-L96 HydrophobicContact CG-CD1 4.27Å; E69-F167 HydrophobicContact CG-CB 4.2Å
70V95.3Very high93.7Very high0 Ų047.9 Ų47.90%023%0.229CC..Hα-helixtrans-62.6-50.8175.6171.90000112.3F9 I66 E67 R68 I72 L73 Q74 V87 L96F9-V70 HydrophobicContact CE1-CG2 4.03Å; F9-V70 HydrophobicContact CE2-CG1 4.28Å; F9-V70 HydrophobicContact CZ-CB 4.01Å; F9-V70 HydrophobicContact CZ-CG1 3.89Å; F9-V70 HydrophobicContact CZ-CG2 3.93Å; I66-V70 WeakPolarHBondContact O-CG2 3.35Å; I66-V70 PolarHBondContact O-N 2.89Å; E67-V70 PolarHBondContact O-N 2.94Å; R68-V70 VanDerWaalsContact C-N 3.29Å; V70-I72 VanDerWaalsContact C-N 3.3Å; V70-I72 PolarHBondContact O-N 2.75Å; V70-L73 PolarHBondContact O-N 3.14Å; V70-Q74 HydrophobicContact CG1-CG 4.39Å; V70-Q74 VanDerWaalsContact O-CG 3.31Å; V70-Q74 WeakPolarHBondContact O-CG 3.42Å; V70-Q74 PolarHBondContact O-N 3.19Å; V70-V87 HydrophobicContact CG1-CG2 4.07Å; V70-V87 HydrophobicContact CG2-CG1 4.28Å; V70-V87 HydrophobicContact CG2-CG2 4.37Å; V70-L96 HydrophobicContact CG2-CD2 3.49Å; V70-L96 VanDerWaalsContact CG2-CD2 3.49Å
71D95.2Very high94.3Very high76 Ų7647.6 Ų47.641%0.40623%0.225SC..Hα-helixtrans-58-42.5179.2-74.4-21.9000111.6E67 R68 Q74 E75E67-D71 WeakPolarHBondContact O-CB 3.28Å; E67-D71 PolarHBondContact O-N 2.97Å; R68-D71 PolarHBondContact O-N 3.11Å; D71-Q74 PolarHBondContact O-N 3.07Å; D71-E75 PolarHBondContact O-N 2.88Å
72I96.4Very high94.8Very high6 Ų646.4 Ų46.43%0.03122%0.218CC..Hα-helixtrans-65.8-46.6176.9-74.4172.8000110.9R68 V70 Q74 E75 I76 I140 F167 A170R68-I72 HydrophobicContact CG-CD1 4.02Å; R68-I72 WeakPolarHBondContact O-CB 3.5Å; R68-I72 VanDerWaalsContact O-CG1 3.32Å; R68-I72 WeakPolarHBondContact O-CG1 3.14Å; R68-I72 PolarHBondContact O-N 2.95Å; V70-I72 VanDerWaalsContact C-N 3.3Å; V70-I72 PolarHBondContact O-N 2.75Å; I72-Q74 VanDerWaalsContact C-N 3.28Å; I72-Q74 PolarHBondContact O-N 3.33Å; I72-E75 PolarHBondContact O-N 3.08Å; I72-I76 HydrophobicContact CG2-CD1 4.4Å; I72-I76 WeakPolarHBondContact O-CG1 3.46Å; I72-I76 WeakPolarHBondContact O-CG2 3.35Å; I72-I76 PolarHBondContact O-N 3.32Å; I72-I140 HydrophobicContact CD1-CG2 4.47Å; I72-I140 HydrophobicContact CG2-CD1 4.38Å; I72-I140 HydrophobicContact CG2-CG2 4.03Å; I72-F167 HydrophobicContact CG2-CD1 3.75Å; I72-F167 HydrophobicContact CG2-CE1 4.43Å; I72-A170 HydrophobicContact CD1-CB 3.83Å; I72-A170 HydrophobicContact CG2-CB 4.26Å
73L96.1Very high95.1Very high5 Ų546.6 Ų46.63%0.02622%0.22CC..Hα-helixtrans-64.9-29.3179.2-76.3172.9000113E69 V70 I76 V82 L84 L96 L98 F167E69-L73 HydrophobicContact CG-CD1 3.85Å; E69-L73 HydrophobicContact CG-CG 4.45Å; E69-L73 VanDerWaalsContact O-CB 3.28Å; E69-L73 WeakPolarHBondContact O-CB 3.44Å; E69-L73 WeakPolarHBondContact O-CG 3.41Å; E69-L73 PolarHBondContact O-N 2.97Å; V70-L73 PolarHBondContact O-N 3.14Å; L73-I76 HydrophobicContact CD2-CD1 4.15Å; L73-V82 HydrophobicContact CD2-CG1 4.46Å; L73-L84 HydrophobicContact CB-CB 3.87Å; L73-L84 HydrophobicContact CB-CD2 3.66Å; L73-L84 HydrophobicContact CB-CG 4.32Å; L73-L96 HydrophobicContact CD1-CD1 3.93Å; L73-L98 HydrophobicContact CD1-CD2 4.17Å; L73-F167 HydrophobicContact CD2-CB 4.1Å; L73-F167 HydrophobicContact CD2-CD2 3.74Å; L73-F167 HydrophobicContact CD2-CE2 4.44Å; L73-F167 HydrophobicContact CD2-CG 3.91Å; L73-F167 HydrophobicContact CG-CB 4.22Å; L73-F167 HydrophobicContact CG-CG 4.49Å
74Q94.5Very high95.4Very high48 Ų4843 Ų4322%0.22421%0.208CC..Hα-helixtrans-76.5-27.2173.5-70.6-178.925.300113.4A7 V70 D71 I72 I76 L84A7-Q74 HydrophobicContact CB-CG 4.45Å; A7-Q74 VanDerWaalsContact N-CD 3.33Å; A7-Q74 PolarHBondContact O-NE2 3.4Å; V70-Q74 HydrophobicContact CG1-CG 4.39Å; V70-Q74 VanDerWaalsContact O-CG 3.31Å; V70-Q74 WeakPolarHBondContact O-CG 3.42Å; V70-Q74 PolarHBondContact O-N 3.19Å; D71-Q74 PolarHBondContact O-N 3.07Å; I72-Q74 VanDerWaalsContact C-N 3.28Å; I72-Q74 PolarHBondContact O-N 3.33Å; Q74-I76 VanDerWaalsContact C-N 3.3Å; Q74-L84 HydrophobicContact CG-CD2 3.82Å
75E94.2Very high95.7Very high82 Ų8241.8 Ų41.838%0.38320%0.202SC..SBendtrans-78.8-9.4177.1-83.2-161.3-125.500113.8D71 I72 K138 K172D71-E75 PolarHBondContact O-N 2.88Å; I72-E75 PolarHBondContact O-N 3.08Å; E75-K138 VanDerWaalsContact O-CE 3.23Å; E75-K138 WeakPolarHBondContact O-CE 3.38Å; E75-K138 PolarHBondContact O-NZ 2.88Å; E75-K172 IonicContact OE1-NZ 3.59Å; E75-K172 PolarHBondContact OE1-NZ 2.93Å; E75-K172 IonicContact OE2-NZ 3.43Å; E75-K172 PolarHBondContact OE2-NZ 3.49Å
76I95.3Very high95.9Very high9 Ų939.7 Ų39.75%0.04619%0.193CC..  trans-119.3133.6-170.467.4-173.1000113I72 L73 Q74 I81 Y134 L135 K138 I140 F167I72-I76 HydrophobicContact CG2-CD1 4.4Å; I72-I76 WeakPolarHBondContact O-CG1 3.46Å; I72-I76 WeakPolarHBondContact O-CG2 3.35Å; I72-I76 PolarHBondContact O-N 3.32Å; L73-I76 HydrophobicContact CD2-CD1 4.15Å; Q74-I76 VanDerWaalsContact C-N 3.3Å; I76-I81 HydrophobicContact CD1-CG2 3.83Å; I76-I81 HydrophobicContact CG1-CG2 4.49Å; I76-Y134 HydrophobicContact CB-CE1 3.84Å; I76-Y134 HydrophobicContact CG2-CE1 3.99Å; I76-L135 HydrophobicContact CD1-CD2 4.17Å; I76-L135 HydrophobicContact CG2-CD2 3.88Å; I76-K138 HydrophobicContact CG2-CD 4.03Å; I76-I140 HydrophobicContact CG2-CD1 3.85Å; I76-F167 HydrophobicContact CD1-CD1 4.06Å; I76-F167 HydrophobicContact CD1-CE1 3.64Å; I76-F167 HydrophobicContact CD1-CE2 4.28Å; I76-F167 HydrophobicContact CD1-CZ 3.77Å
77Q96.3Very high96.1Very high132 Ų13239.6 Ų39.662%0.61719%0.192SC*.  trans-146.2107.9170.7-170.4-179.950.600107.8E83 Y134Q77-E83 PolarHBondContact NE2-OE1 2.79Å; Q77-Y134 PolarHBondContact N-OH 3.13Å; Q77-Y134 WeakPolarHBondContact O-CE2 3.3Å; Q77-Y134 PolarHBondContact O-OH 3.19Å
78H98.3Very high96.3Very high40 Ų4037.1 Ų37.119%0.18518%0.181CC..  trans-150.6138.2-175.6-172.9-102.5000111.4N80 I81 D130 Y134H78-N80 PolarHBondContact ND1-N 2.99Å; H78-N80 PolarHBondContact O-N 2.76Å; H78-I81 HydrophobicContact CB-CB 4.25Å; H78-I81 HydrophobicContact CB-CD1 3.82Å; H78-I81 HydrophobicContact CB-CG1 3.97Å; H78-I81 PolarHBondContact O-N 3.26Å; H78-I81 VanDerWaalsContact O-O 3.11Å; H78-D130 PolarHBondContact CE1-O 2.85Å; H78-Y134 HydrophobicContact CB-CD1 3.83Å; H78-Y134 HydrophobicContact CB-CD2 4.06Å; H78-Y134 HydrophobicContact CB-CE1 4.06Å; H78-Y134 HydrophobicContact CB-CE2 4.26Å; H78-Y134 HydrophobicContact CB-CG 3.83Å; H78-Y134 AromaticContact CD2-CD2 3.53Å; H78-Y134 AromaticContact CD2-CG 3.71Å; H78-Y134 AromaticContact CG-CG 3.8Å
79P97.7Very high96.3Very high67 Ų6734.2 Ų34.244%0.43517%0.17SC..THydrogen-bonded Turntrans-54.2-22.5-179.416.4-32.6000116R161 K163P79-R161 WeakPolarHBondContact O-CD 3.34Å; P79-K163 WeakPolarHBondContact O-CE 3.08Å
80N98.5Very high96.1Very high10 Ų1036.4 Ų36.45%0.05318%0.182CC..THydrogen-bonded Turntrans-10715.4179.4-65.1106.4000114.9H78 Q127 I162 V164H78-N80 PolarHBondContact ND1-N 2.99Å; H78-N80 PolarHBondContact O-N 2.76Å; N80-Q127 WeakPolarHBondContact CB-O 3.45Å; N80-Q127 PolarHBondContact ND2-OE1 3.5Å; N80-I162 VanDerWaalsContact CA-O 3.27Å; N80-I162 WeakPolarHBondContact CA-O 3.44Å; N80-I162 PolarHBondContact ND2-O 3.31Å; N80-V164 PolarHBondContact O-N 2.85Å
81I98.4Very high95.9Very high3 Ų348.2 Ų48.22%0.01523%0.227CC..BIsolated β-bridgetrans-127.7146.1177.4-55.1177.6000108.7I76 H78 Y134 L135 K163 F167I76-I81 HydrophobicContact CD1-CG2 3.83Å; I76-I81 HydrophobicContact CG1-CG2 4.49Å; H78-I81 HydrophobicContact CB-CB 4.25Å; H78-I81 HydrophobicContact CB-CD1 3.82Å; H78-I81 HydrophobicContact CB-CG1 3.97Å; H78-I81 PolarHBondContact O-N 3.26Å; H78-I81 VanDerWaalsContact O-O 3.11Å; I81-Y134 HydrophobicContact CD1-CD1 3.86Å; I81-L135 HydrophobicContact CD1-CD1 4.34Å; I81-L135 HydrophobicContact CD1-CD2 3.74Å; I81-L135 HydrophobicContact CD1-CG 3.77Å; I81-K163 VanDerWaalsContact C-CD 3.48Å; I81-K163 WeakPolarHBondContact O-CD 3.07Å; I81-K163 PolarHBondContact O-NZ 2.85Å; I81-F167 HydrophobicContact CG2-CE2 3.56Å; I81-F167 HydrophobicContact CG2-CZ 3.41Å; I81-F167 VanDerWaalsContact CG2-CZ 3.41Å
82V97Very high95.6Very high8 Ų846.7 Ų46.75%0.04823%0.225CC..PPolyproline II helixtrans-62.2133.3173.367.20000111.6L73 L98 E99 V101 V164 I165 F167L73-V82 HydrophobicContact CD2-CG1 4.46Å; V82-L98 HydrophobicContact CG2-CB 4.09Å; V82-E99 WeakPolarHBondContact CA-OE2 3.26Å; V82-E99 HydrophobicContact CG2-CB 4.05Å; V82-V101 HydrophobicContact CG2-CG2 4.24Å; V82-V164 PolarHBondContact N-O 3.41Å; V82-I165 HydrophobicContact CB-CG2 4.14Å; V82-I165 HydrophobicContact CG1-CG2 4.41Å; V82-F167 HydrophobicContact CG1-CD2 4.34Å; V82-F167 HydrophobicContact CG1-CE2 4.22Å
83E96.3Very high95.5Very high84 Ų8448.5 Ų48.539%0.39323%0.233SC..PPolyproline II helixtrans-89.5138.5177.6-170.2161-158.500111.7Q77 L98 E99Q77-E83 PolarHBondContact NE2-OE1 2.79Å; E83-L98 WeakPolarHBondContact O-CA 3.27Å; E83-E99 HydrophobicContact CB-CB 4.26Å; E83-E99 PolarHBondContact N-OE2 3.04Å; E83-E99 PolarHBondContact O-N 3.5Å
84L96.8Very high95.5Very high24 Ų2448.3 Ų48.313%0.12623%0.232CC..EExtended strand (participates in β ladder)trans-90.8117.9171.4173.470.7000109.3L73 Q74 D86 V87 L96 L98L73-L84 HydrophobicContact CB-CB 3.87Å; L73-L84 HydrophobicContact CB-CD2 3.66Å; L73-L84 HydrophobicContact CB-CG 4.32Å; Q74-L84 HydrophobicContact CG-CD2 3.82Å; L84-D86 WeakPolarHBondContact CD1-O 3.34Å; L84-V87 HydrophobicContact CD1-CG2 4.03Å; L84-V87 HydrophobicContact CD2-CG2 3.89Å; L84-V87 HydrophobicContact CG-CG2 4.34Å; L84-L96 HydrophobicContact CD1-CB 4.05Å; L84-L98 HydrophobicContact CB-CD2 4.2Å; L84-L98 HydrophobicContact CD1-CD2 3.71Å
85H96.3Very high95.6Very high81 Ų8146.2 Ų46.238%0.37522%0.223SC..EExtended strand (participates in β ladder)trans-89-43.5179.4-178.464.4000112.2Y18 Y44 I97Y18-H85 PolarHBondContact OH-CD2 3Å; Y44-H85 HydrophobicContact CD1-CB 4.07Å; Y44-H85 HydrophobicContact CE1-CB 3.76Å; Y44-H85 AromaticContact CE1-CD2 3.69Å; Y44-H85 AromaticContact CE1-CG 3.5Å; Y44-H85 VanDerWaalsContact CE1-CG 3.5Å; Y44-H85 AromaticContact CE1-ND1 3.91Å; Y44-H85 AromaticContact CZ-CD2 3.6Å; Y44-H85 AromaticContact CZ-CE1 3.92Å; Y44-H85 AromaticContact CZ-CG 3.79Å; Y44-H85 AromaticContact CZ-ND1 3.97Å; Y44-H85 AromaticContact CZ-NE2 3.71Å; Y44-H85 PolarHBondContact OH-CE1 2.85Å; Y44-H85 PolarHBondContact OH-NE2 3.11Å; H85-I97 HydrophobicContact CB-CG2 4.24Å; H85-I97 WeakPolarHBondContact CB-O 3.48Å; H85-I97 PolarHBondContact N-O 2.85Å
86D95.9Very high95.8Very high13 Ų1342.3 Ų42.37%0.0721%0.205CC..EExtended strand (participates in β ladder)trans-158.1161.5-170.6-148.6-9.5000113.5K10 Y18 L84 Y88 I97K10-D86 WeakPolarHBondContact CD-OD1 3.45Å; K10-D86 WeakPolarHBondContact CE-OD1 3.36Å; K10-D86 IonicContact NZ-OD1 2.74Å; K10-D86 PolarHBondContact NZ-OD1 2.78Å; K10-D86 IonicContact NZ-OD2 3.63Å; K10-D86 PolarHBondContact NZ-OD2 2.72Å; Y18-D86 PolarHBondContact OH-OD2 3.05Å; L84-D86 WeakPolarHBondContact CD1-O 3.34Å; D86-Y88 HydrophobicContact CB-CE2 4.25Å; D86-Y88 VanDerWaalsContact OD2-CE2 3.25Å; D86-Y88 WeakPolarHBondContact OD2-CE2 3.47Å; D86-Y88 PolarHBondContact OD2-OH 3.29Å; D86-I97 HydrophobicContact CB-CB 3.77Å; D86-I97 HydrophobicContact CB-CG1 3.83Å; D86-I97 PolarHBondContact N-O 3.39Å; D86-I97 PolarHBondContact O-N 3.37Å
87V97Very high95.9Very high0 Ų041.9 Ų41.90%020%0.202CC..EExtended strand (participates in β ladder)trans-139.4119.7-178.5-175.70000111.6A7 F9 K10 V70 L84 V94 L96A7-V87 HydrophobicContact CB-CG2 4.07Å; F9-V87 HydrophobicContact CD1-CG1 3.39Å; F9-V87 HydrophobicContact CE1-CG1 3.63Å; F9-V87 HydrophobicContact CG-CG1 4.07Å; F9-V87 HydrophobicContact CZ-CG1 4.45Å; K10-V87 PolarHBondContact N-O 3.33Å; V70-V87 HydrophobicContact CG1-CG2 4.07Å; V70-V87 HydrophobicContact CG2-CG1 4.28Å; V70-V87 HydrophobicContact CG2-CG2 4.37Å; L84-V87 HydrophobicContact CD1-CG2 4.03Å; L84-V87 HydrophobicContact CD2-CG2 3.89Å; L84-V87 HydrophobicContact CG-CG2 4.34Å; V87-V94 HydrophobicContact CG1-CG1 4.09Å; V87-L96 HydrophobicContact CG1-CD2 4.05Å; V87-L96 HydrophobicContact CG2-CD2 4.18Å
88Y96.8Very high96Very high6 Ų636.6 Ų36.62%0.02418%0.178CC..EExtended strand (participates in β ladder)trans-113.3146.4174.1-69.6-100.9000111.1K10 E12 V14 F17 Y18 D86 V94 V95 I97K10-Y88 HydrophobicContact CB-CD1 3.64Å; K10-Y88 HydrophobicContact CB-CE1 3.85Å; K10-Y88 HydrophobicContact CB-CG 4.1Å; K10-Y88 HydrophobicContact CD-CD1 4.26Å; K10-Y88 HydrophobicContact CD-CD2 4.5Å; K10-Y88 HydrophobicContact CD-CE1 3.74Å; K10-Y88 HydrophobicContact CD-CE2 3.98Å; K10-Y88 HydrophobicContact CG-CE1 4.45Å; K10-Y88 CarbonylContact O-C 3.57Å; E12-Y88 WeakPolarHBondContact O-CD1 3.47Å; V14-Y88 HydrophobicContact CB-CD1 4.13Å; V14-Y88 HydrophobicContact CB-CD2 4.26Å; V14-Y88 HydrophobicContact CB-CG 3.93Å; V14-Y88 HydrophobicContact CG2-CD2 3.91Å; V14-Y88 HydrophobicContact CG2-CE2 4.24Å; V14-Y88 HydrophobicContact CG2-CG 4.11Å; F17-Y88 AromaticContact CD2-CE1 3.82Å; F17-Y88 HydrophobicContact CD2-CE1 3.82Å; F17-Y88 AromaticContact CD2-CZ 3.99Å; F17-Y88 WeakPolarHBondContact CD2-OH 3.33Å; F17-Y88 HydrophobicContact CE2-CE1 4.14Å; F17-Y88 WeakPolarHBondContact CG-OH 3.44Å; Y18-Y88 HydrophobicContact CD2-CE2 4.36Å; Y18-Y88 AromaticContact CE2-CE2 3.68Å; Y18-Y88 HydrophobicContact CE2-CE2 3.68Å; D86-Y88 HydrophobicContact CB-CE2 4.25Å; D86-Y88 VanDerWaalsContact OD2-CE2 3.25Å; D86-Y88 WeakPolarHBondContact OD2-CE2 3.47Å; D86-Y88 PolarHBondContact OD2-OH 3.29Å; Y88-V94 CarbonylContact O-C 3.56Å; Y88-V94 WeakPolarHBondContact O-CA 3.45Å; Y88-V94 WeakPolarHBondContact O-CG1 3.25Å; Y88-V95 PolarHBondContact N-O 2.75Å; Y88-V95 PolarHBondContact O-N 2.99Å; Y88-I97 HydrophobicContact CD2-CG1 4.24Å; Y88-I97 HydrophobicContact CE2-CG1 4.32Å
89E95.3Very high95.9Very high11 Ų1136.5 Ų36.55%0.05118%0.178CC..EExtended strand (participates in β ladder)trans-136.6120.1175.5172.7165.9-150.700110.5F9 K10 K51 R63 V94F9-E89 HydrophobicContact CB-CB 4.12Å; F9-E89 HydrophobicContact CD1-CB 4.07Å; K10-E89 PolarHBondContact O-N 3.01Å; K51-E89 WeakPolarHBondContact CD-OE1 3.26Å; K51-E89 WeakPolarHBondContact CE-OE1 3.44Å; K51-E89 IonicContact NZ-OE1 2.68Å; K51-E89 PolarHBondContact NZ-OE1 2.59Å; R63-E89 IonicContact CZ-OE1 2.95Å; R63-E89 IonicContact CZ-OE2 3.22Å; R63-E89 VanDerWaalsContact NH1-CD 3.28Å; R63-E89 IonicContact NH1-OE1 3.78Å; R63-E89 PolarHBondContact NH1-OE1 2.96Å; R63-E89 IonicContact NH1-OE2 2.88Å; R63-E89 PolarHBondContact NH1-OE2 3.32Å; R63-E89 VanDerWaalsContact NH1-OE2 3.08Å; R63-E89 IonicContact NH2-OE1 2.69Å; R63-E89 IonicContact NH2-OE2 3.64Å; R63-E89 PolarHBondContact NH2-OE2 3.17Å; E89-V94 HydrophobicContact CB-CG2 4.16Å; E89-V94 HydrophobicContact CG-CG2 4.08Å
90N91.6Very high95.8Very high60 Ų6034.5 Ų34.532%0.32116%0.163SC..  trans-103.9-174.2166.875.239.3000109.7K51 A92 E93K51-N90 VanDerWaalsContact CE-O 3.3Å; K51-N90 WeakPolarHBondContact CE-O 3.49Å; K51-N90 PolarHBondContact NZ-O 2.9Å; N90-A92 VanDerWaalsContact C-N 3.31Å; N90-A92 PolarHBondContact O-N 3.46Å; N90-A92 WeakPolarHBondContact OD1-CA 3.48Å; N90-A92 PolarHBondContact OD1-N 2.71Å; N90-E93 PolarHBondContact N-O 3.32Å; N90-E93 VanDerWaalsContact N-O 3.09Å; N90-E93 PolarHBondContact ND2-OE1 3.44Å; N90-E93 PolarHBondContact OD1-N 2.9Å
91R89.4Confident95.6Very high248 Ų24834.8 Ų34.894%0.93617%0.165SC*.SBendtrans-64.8-30-178.5-69.9-174.6-179.7-179.41.3114.3K51K51-R91 PolarHBondContact NZ-O 3.18Å
92A90.5Very high95.3Very high44 Ų4438.4 Ų38.436%0.36419%0.191SC..SBendtrans-100.7-28.7-171.200000114.3K51 N90K51-A92 WeakPolarHBondContact CB-O 3.36Å; K51-A92 PolarHBondContact N-O 3.4Å; N90-A92 VanDerWaalsContact C-N 3.31Å; N90-A92 PolarHBondContact O-N 3.46Å; N90-A92 WeakPolarHBondContact OD1-CA 3.48Å; N90-A92 PolarHBondContact OD1-N 2.71Å
93E93.9Very high95.1Very high43 Ų4338.2 Ų38.220%0.20119%0.19CC..EExtended strand (participates in β ladder)trans-147.8169.6-173.673.7-142.5137.800113I49 K51 N90 V95I49-E93 VanDerWaalsContact O-CA 3.27Å; I49-E93 WeakPolarHBondContact O-CA 3.2Å; I49-E93 VanDerWaalsContact O-CB 3.26Å; I49-E93 WeakPolarHBondContact O-CB 3.43Å; K51-E93 WeakPolarHBondContact CE-O 3.28Å; N90-E93 PolarHBondContact N-O 3.32Å; N90-E93 VanDerWaalsContact N-O 3.09Å; N90-E93 PolarHBondContact ND2-OE1 3.44Å; N90-E93 PolarHBondContact OD1-N 2.9Å; E93-V95 HydrophobicContact CG-CG2 4.24Å
94V95.8Very high94.9Very high2 Ų235.3 Ų35.31%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-117.6140.1167.7174.60000107.2F9 I49 K51 I66 V87 Y88 E89 L96F9-V94 HydrophobicContact CD1-CG1 4.26Å; F9-V94 HydrophobicContact CE1-CG1 4Å; F9-V94 HydrophobicContact CE1-CG2 4.44Å; I49-V94 PolarHBondContact N-O 3Å; I49-V94 PolarHBondContact O-N 3.47Å; K51-V94 HydrophobicContact CD-CG2 3.95Å; K51-V94 HydrophobicContact CG-CG2 4.19Å; I66-V94 HydrophobicContact CD1-CG2 4.37Å; I66-V94 HydrophobicContact CG2-CB 3.88Å; I66-V94 HydrophobicContact CG2-CG1 3.84Å; I66-V94 HydrophobicContact CG2-CG2 3.97Å; V87-V94 HydrophobicContact CG1-CG1 4.09Å; Y88-V94 CarbonylContact O-C 3.56Å; Y88-V94 WeakPolarHBondContact O-CA 3.45Å; Y88-V94 WeakPolarHBondContact O-CG1 3.25Å; E89-V94 HydrophobicContact CB-CG2 4.16Å; E89-V94 HydrophobicContact CG-CG2 4.08Å; V94-L96 HydrophobicContact CG1-CD2 3.82Å
95V97.3Very high94.8Very high4 Ų436.2 Ų36.22%0.02419%0.187CC..EExtended strand (participates in β ladder)trans-118.9116.9178.1-168.30000108.4V14 A46 K47 F48 Y88 E93 I97V14-V95 HydrophobicContact CG1-CG2 4.33Å; V14-V95 HydrophobicContact CG2-CG1 4.39Å; A46-V95 HydrophobicContact CB-CG1 3.91Å; K47-V95 WeakPolarHBondContact O-CA 3.35Å; F48-V95 HydrophobicContact CD1-CB 4.39Å; F48-V95 HydrophobicContact CD1-CG1 4.05Å; F48-V95 HydrophobicContact CD1-CG2 3.44Å; F48-V95 VanDerWaalsContact CD1-CG2 3.44Å; F48-V95 HydrophobicContact CD2-CG1 4.25Å; F48-V95 HydrophobicContact CE1-CG1 4.03Å; F48-V95 HydrophobicContact CE1-CG2 3.73Å; F48-V95 HydrophobicContact CE2-CG1 4.23Å; F48-V95 HydrophobicContact CG-CG1 4.14Å; F48-V95 HydrophobicContact CG-CG2 4.11Å; F48-V95 HydrophobicContact CZ-CG1 4.11Å; Y88-V95 PolarHBondContact N-O 2.75Å; Y88-V95 PolarHBondContact O-N 2.99Å; E93-V95 HydrophobicContact CG-CG2 4.24Å; V95-I97 HydrophobicContact CG1-CD1 4.13Å
96L97.3Very high94.8Very high0 Ų032.3 Ų32.30%017%0.169CC..EExtended strand (participates in β ladder)trans-92.6124.6173.3-47.7-174.4000108.3A46 K47 I49 E69 V70 L73 L84 V87 V94 L98A46-L96 CarbonylContact C-O 3.45Å; A46-L96 WeakPolarHBondContact CA-O 3.27Å; K47-L96 HydrophobicContact CB-CB 4.32Å; K47-L96 PolarHBondContact N-O 3.41Å; K47-L96 PolarHBondContact O-N 3.38Å; I49-L96 HydrophobicContact CD1-CD1 3.87Å; I49-L96 HydrophobicContact CD1-CG 4.08Å; E69-L96 HydrophobicContact CG-CD1 4.27Å; V70-L96 HydrophobicContact CG2-CD2 3.49Å; V70-L96 VanDerWaalsContact CG2-CD2 3.49Å; L73-L96 HydrophobicContact CD1-CD1 3.93Å; L84-L96 HydrophobicContact CD1-CB 4.05Å; V87-L96 HydrophobicContact CG1-CD2 4.05Å; V87-L96 HydrophobicContact CG2-CD2 4.18Å; V94-L96 HydrophobicContact CG1-CD2 3.82Å; L96-L98 HydrophobicContact CB-CD2 4.23Å; L96-L98 HydrophobicContact CB-CG 4.24Å
97I97.9Very high94.7Very high0 Ų031.8 Ų31.80%017%0.166CC..EExtended strand (participates in β ladder)trans-92.5110.7171.7-51.1-57.9000107.3V14 Y18 Y44 A46 H85 D86 Y88 V95V14-I97 HydrophobicContact CG2-CD1 3.91Å; Y18-I97 HydrophobicContact CD2-CD1 4.46Å; Y18-I97 HydrophobicContact CE1-CG1 4.4Å; Y18-I97 HydrophobicContact CE1-CG2 3.77Å; Y18-I97 HydrophobicContact CE2-CD1 4.4Å; Y18-I97 HydrophobicContact CE2-CG1 4.15Å; Y44-I97 HydrophobicContact CD1-CG2 4Å; Y44-I97 HydrophobicContact CD2-CG2 4.26Å; Y44-I97 HydrophobicContact CG-CG2 3.7Å; A46-I97 HydrophobicContact CB-CD1 3.93Å; H85-I97 HydrophobicContact CB-CG2 4.24Å; H85-I97 WeakPolarHBondContact CB-O 3.48Å; H85-I97 PolarHBondContact N-O 2.85Å; D86-I97 HydrophobicContact CB-CB 3.77Å; D86-I97 HydrophobicContact CB-CG1 3.83Å; D86-I97 PolarHBondContact N-O 3.39Å; D86-I97 PolarHBondContact O-N 3.37Å; Y88-I97 HydrophobicContact CD2-CG1 4.24Å; Y88-I97 HydrophobicContact CE2-CG1 4.32Å; V95-I97 HydrophobicContact CG1-CD1 4.13Å
98L97.3Very high94.4Very high21 Ų2134 Ų3411%0.1118%0.177CC..EExtended strand (participates in β ladder)trans-111157.1-175.2-57.6173.6000110.4Y44 A45 K47 L73 V82 E83 L84 L96 L100Y44-L98 WeakPolarHBondContact CA-O 3.39Å; Y44-L98 WeakPolarHBondContact CB-O 3.39Å; A45-L98 HydrophobicContact CB-CB 4.47Å; A45-L98 PolarHBondContact N-O 3.22Å; A45-L98 PolarHBondContact O-N 3.23Å; K47-L98 HydrophobicContact CB-CD1 4.14Å; K47-L98 HydrophobicContact CD-CD1 4.34Å; L73-L98 HydrophobicContact CD1-CD2 4.17Å; V82-L98 HydrophobicContact CG2-CB 4.09Å; E83-L98 WeakPolarHBondContact O-CA 3.27Å; L84-L98 HydrophobicContact CB-CD2 4.2Å; L84-L98 HydrophobicContact CD1-CD2 3.71Å; L96-L98 HydrophobicContact CB-CD2 4.23Å; L96-L98 HydrophobicContact CB-CG 4.24Å; L98-L100 PolarHBondContact O-N 3.47Å
99E96.1Very high94.3Very high38 Ų3835 Ų3518%0.17818%0.182CC..EExtended strand (participates in β ladder)trans-50133.4165.8175.6-171.7-165.200112.1V82 E83 V101 L153 K163V82-E99 WeakPolarHBondContact CA-OE2 3.26Å; V82-E99 HydrophobicContact CG2-CB 4.05Å; E83-E99 HydrophobicContact CB-CB 4.26Å; E83-E99 PolarHBondContact N-OE2 3.04Å; E83-E99 PolarHBondContact O-N 3.5Å; E99-V101 HydrophobicContact CG-CG2 4.5Å; E99-V101 PolarHBondContact O-N 2.85Å; E99-V101 VanDerWaalsContact O-N 3.14Å; E99-L153 HydrophobicContact CG-CD1 4.43Å; E99-K163 WeakPolarHBondContact OE1-CE 3.48Å; E99-K163 IonicContact OE1-NZ 2.78Å; E99-K163 PolarHBondContact OE1-NZ 3.44Å; E99-K163 VanDerWaalsContact OE2-CE 3.31Å; E99-K163 WeakPolarHBondContact OE2-CE 3.37Å; E99-K163 IonicContact OE2-NZ 3.36Å; E99-K163 PolarHBondContact OE2-NZ 2.89Å
100L96.3Very high94.1Very high24 Ų2434.5 Ų34.513%0.12618%0.18CC..  trans-78.797.3179.6-177.458.1000111.9L24 R34 E43 A45 L98 S102L24-L100 HydrophobicContact CD1-CD1 3.69Å; R34-L100 HydrophobicContact CG-CD2 4.18Å; E43-L100 HydrophobicContact CB-CD2 3.73Å; A45-L100 HydrophobicContact CB-CD1 4.25Å; L98-L100 PolarHBondContact O-N 3.47Å; L100-S102 PolarHBondContact O-N 3.01Å
101V94.6Very high94.1Very high16 Ų1632.8 Ų32.810%0.09717%0.174CC..  trans-86.9101.9176-173.40000109.8V82 E99 M151 L152 K163 I165V82-V101 HydrophobicContact CG2-CG2 4.24Å; E99-V101 HydrophobicContact CG-CG2 4.5Å; E99-V101 PolarHBondContact O-N 2.85Å; E99-V101 VanDerWaalsContact O-N 3.14Å; V101-M151 HydrophobicContact CG1-CB 3.52Å; V101-M151 HydrophobicContact CG1-CE 4.35Å; V101-M151 HydrophobicContact CG1-SD 4.43Å; V101-M151 WeakPolarHBondContact O-CE 3.35Å; V101-L152 WeakPolarHBondContact CG1-O 3.46Å; V101-K163 HydrophobicContact CG1-CB 3.88Å; V101-K163 HydrophobicContact CG1-CG 4.31Å; V101-K163 HydrophobicContact CG2-CB 3.89Å; V101-K163 HydrophobicContact CG2-CG 4.03Å; V101-I165 HydrophobicContact CG2-CG2 4.41Å
102S91.8Very high94.2Very high79 Ų7927.1 Ų27.155%0.55216%0.158SC*.  trans-111.7-6.3-163.7680000116.4L100 G104 L153L100-S102 PolarHBondContact O-N 3.01Å; S102-G104 VanDerWaalsContact C-N 3.28Å; S102-G104 PolarHBondContact O-N 3.22Å; S102-L153 PolarHBondContact N-O 2.86Å; S102-L153 PolarHBondContact OG-O 2.97Å
103G92.4Very high94.2Very high4 Ų426.9 Ų26.94%0.04115%0.149CC..SBendtrans-73.4-11.5178.700000115.3L152 L153 R155G103-L152 WeakPolarHBondContact CA-O 2.92Å; G103-L152 PolarHBondContact N-O 3.2Å; G103-L153 PolarHBondContact N-O 2.95Å; G103-R155 WeakPolarHBondContact O-CD 3.33Å
104G93.3Very high93.9Very high23 Ų2333.8 Ų33.824%0.23718%0.181CC..EExtended strand (participates in β ladder)trans87.4-169.4-179.400000114.2S102 M151 L152S102-G104 VanDerWaalsContact C-N 3.28Å; S102-G104 PolarHBondContact O-N 3.22Å; G104-M151 CarbonylContact O-C 3.5Å; G104-M151 VanDerWaalsContact O-CA 3.3Å; G104-M151 WeakPolarHBondContact O-CA 3.16Å; G104-L152 PolarHBondContact O-N 3.37Å
105E94.5Very high93.7Very high43 Ų4337.9 Ų37.920%0.20121%0.21CC..EExtended strand (participates in β ladder)trans-66.1142.8176.1-63.4171.5-134.500111.6F107 D108 F109 Y305 R309E105-F107 PolarHBondContact O-N 3.29Å; E105-D108 HydrophobicContact CB-CB 4.2Å; E105-D108 PolarHBondContact O-N 2.81Å; E105-F109 PolarHBondContact O-N 3.28Å; E105-Y305 PolarHBondContact OE2-OH 3.16Å; E105-R309 IonicContact OE1-CZ 3.94Å; E105-R309 IonicContact OE1-NH1 3.6Å; E105-R309 PolarHBondContact OE1-NH1 3.5Å; E105-R309 IonicContact OE2-NH1 2.81Å
106L95.1Very high93.5Very high0 Ų037.8 Ų37.80%021%0.209CC..Hα-helixtrans-54.2-40.5168.7171.465.3000111.7F109 L110 F124 I150 L152 I162 L215L106-F109 WeakPolarHBondContact O-CB 3.31Å; L106-F109 PolarHBondContact O-N 3.29Å; L106-L110 HydrophobicContact CD1-CD1 4.05Å; L106-L110 HydrophobicContact CD1-CD2 4.35Å; L106-L110 HydrophobicContact CD1-CG 3.98Å; L106-L110 HydrophobicContact CG-CD1 4.03Å; L106-L110 HydrophobicContact CG-CG 4.3Å; L106-L110 WeakPolarHBondContact O-CG 3.14Å; L106-L110 PolarHBondContact O-N 3.38Å; L106-F124 HydrophobicContact CD1-CB 4.21Å; L106-F124 HydrophobicContact CD1-CD1 3.54Å; L106-F124 HydrophobicContact CD1-CD2 4.46Å; L106-F124 HydrophobicContact CD1-CE1 3.98Å; L106-F124 HydrophobicContact CD1-CG 3.81Å; L106-F124 HydrophobicContact CD2-CB 4.24Å; L106-I150 HydrophobicContact CB-CG2 3.97Å; L106-I150 WeakPolarHBondContact CB-O 3.4Å; L106-I150 HydrophobicContact CD2-CG2 3.77Å; L106-I150 PolarHBondContact N-O 2.56Å; L106-L152 HydrophobicContact CB-CD2 4.16Å; L106-L152 HydrophobicContact CD1-CD2 4.05Å; L106-I162 HydrophobicContact CD1-CD1 4.32Å; L106-I162 HydrophobicContact CD2-CD1 3.91Å; L106-L215 HydrophobicContact CD2-CD1 4.22Å
107F93.6Very high93.4Very high1 Ų138.9 Ų38.90%0.00422%0.216CC..Hα-helixtrans-74.2-33.9-173.6-74.2-108.4000112.5E105 F109 L110 A111 P147 I211 I214 L215 F301 Y305E105-F107 PolarHBondContact O-N 3.29Å; F107-F109 VanDerWaalsContact C-N 3.32Å; F107-F109 PolarHBondContact O-N 3.16Å; F107-L110 PolarHBondContact O-N 3.49Å; F107-A111 WeakPolarHBondContact O-CB 3.42Å; F107-A111 PolarHBondContact O-N 3.29Å; F107-P147 HydrophobicContact CD1-CB 4.46Å; F107-P147 HydrophobicContact CD2-CB 3.55Å; F107-P147 HydrophobicContact CD2-CG 4.17Å; F107-P147 HydrophobicContact CE1-CG 4.36Å; F107-P147 HydrophobicContact CE2-CB 3.75Å; F107-P147 HydrophobicContact CE2-CG 3.92Å; F107-P147 HydrophobicContact CG-CB 3.95Å; F107-P147 HydrophobicContact CZ-CB 4.32Å; F107-P147 HydrophobicContact CZ-CG 4.03Å; F107-I211 HydrophobicContact CE2-CG2 4.23Å; F107-I211 HydrophobicContact CZ-CG2 4.04Å; F107-I214 HydrophobicContact CD1-CG2 4.34Å; F107-I214 HydrophobicContact CE1-CB 4.17Å; F107-I214 HydrophobicContact CE1-CG2 3.78Å; F107-L215 HydrophobicContact CE1-CB 4.2Å; F107-L215 HydrophobicContact CZ-CB 4.1Å; F107-F301 HydrophobicContact CB-CZ 4.28Å; F107-F301 AromaticContact CD1-CE2 3.71Å; F107-F301 HydrophobicContact CD1-CE2 3.71Å; F107-F301 AromaticContact CD1-CZ 3.53Å; F107-F301 HydrophobicContact CD1-CZ 3.53Å; F107-F301 AromaticContact CE1-CE2 3.98Å; F107-F301 HydrophobicContact CE1-CE2 3.98Å; F107-F301 HydrophobicContact CE1-CZ 4.23Å; F107-F301 HydrophobicContact CG-CZ 4.25Å; F107-Y305 HydrophobicContact CB-CD2 4.21Å; F107-Y305 HydrophobicContact CB-CE2 3.56Å; F107-Y305 HydrophobicContact CG-CE2 4.5Å
108D92.4Very high93.3Very high46 Ų4638.9 Ų38.925%0.24622%0.217CC..Hα-helixtrans-63.4-36.5169.1-92.4-34.9000111.4E105 Q112 Y305 R309E105-D108 HydrophobicContact CB-CB 4.2Å; E105-D108 PolarHBondContact O-N 2.81Å; D108-Q112 WeakPolarHBondContact O-CG 3.21Å; D108-Q112 PolarHBondContact O-NE2 2.88Å; D108-Y305 PolarHBondContact N-OH 2.9Å; D108-Y305 WeakPolarHBondContact OD1-CE1 3.35Å; D108-Y305 PolarHBondContact OD1-OH 3.37Å; D108-R309 IonicContact OD1-CZ 2.88Å; D108-R309 IonicContact OD1-NE 2.63Å; D108-R309 IonicContact OD1-NH1 3.55Å; D108-R309 PolarHBondContact OD1-NH1 3.07Å; D108-R309 IonicContact OD1-NH2 2.69Å; D108-R309 PolarHBondContact OD1-NH2 2.85Å; D108-R309 IonicContact OD2-CZ 2.8Å; D108-R309 IonicContact OD2-NH1 3.58Å; D108-R309 PolarHBondContact OD2-NH1 2.85Å; D108-R309 VanDerWaalsContact OD2-NH1 3.07Å; D108-R309 IonicContact OD2-NH2 3.39Å; D108-R309 PolarHBondContact OD2-NH2 3.21Å
109F93.3Very high93.3Very high28 Ų2840.3 Ų40.312%0.12322%0.222CC..Hα-helixtrans-69.8-45.8175.4172.9-95.5000112.3E105 L106 F107 A111 Q112 F124 L152 R155 P160E105-F109 PolarHBondContact O-N 3.28Å; L106-F109 WeakPolarHBondContact O-CB 3.31Å; L106-F109 PolarHBondContact O-N 3.29Å; F107-F109 VanDerWaalsContact C-N 3.32Å; F107-F109 PolarHBondContact O-N 3.16Å; F109-A111 VanDerWaalsContact C-N 3.26Å; F109-A111 PolarHBondContact O-N 3.23Å; F109-Q112 WeakPolarHBondContact O-CB 3.29Å; F109-Q112 PolarHBondContact O-N 2.82Å; F109-F124 HydrophobicContact CD1-CZ 4.5Å; F109-F124 HydrophobicContact CE1-CE1 4.38Å; F109-F124 AromaticContact CE1-CZ 3.86Å; F109-F124 HydrophobicContact CE1-CZ 3.86Å; F109-L152 HydrophobicContact CB-CD1 3.47Å; F109-L152 VanDerWaalsContact CB-CD1 3.47Å; F109-L152 HydrophobicContact CD1-CD1 4.02Å; F109-L152 HydrophobicContact CD2-CD1 4.09Å; F109-L152 HydrophobicContact CG-CD1 3.61Å; F109-R155 HydrophobicContact CD2-CB 4.27Å; F109-P160 HydrophobicContact CD2-CG 4.32Å; F109-P160 HydrophobicContact CE1-CG 4.01Å; F109-P160 HydrophobicContact CE2-CG 3.78Å; F109-P160 HydrophobicContact CZ-CG 3.6Å
110L92.6Very high93.2Very high0 Ų041 Ų410%023%0.226CC..Hα-helixtrans-64.3-31.3176.3-64.1-178.5000112.2L106 F107 Q112 K113 L116 F124 L215 F301L106-L110 HydrophobicContact CD1-CD1 4.05Å; L106-L110 HydrophobicContact CD1-CD2 4.35Å; L106-L110 HydrophobicContact CD1-CG 3.98Å; L106-L110 HydrophobicContact CG-CD1 4.03Å; L106-L110 HydrophobicContact CG-CG 4.3Å; L106-L110 WeakPolarHBondContact O-CG 3.14Å; L106-L110 PolarHBondContact O-N 3.38Å; F107-L110 PolarHBondContact O-N 3.49Å; L110-Q112 PolarHBondContact O-N 3.48Å; L110-K113 PolarHBondContact O-N 3.34Å; L110-L116 HydrophobicContact CD1-CD2 4.34Å; L110-L116 HydrophobicContact CD2-CD1 4.12Å; L110-L116 HydrophobicContact CD2-CD2 4Å; L110-F124 HydrophobicContact CD2-CD2 4.19Å; L110-F124 HydrophobicContact CD2-CE2 3.88Å; L110-F124 HydrophobicContact CD2-CZ 4.4Å; L110-L215 HydrophobicContact CD1-CD1 3.78Å; L110-L215 HydrophobicContact CD1-CD2 4.3Å; L110-L215 HydrophobicContact CD1-CG 3.72Å; L110-F301 HydrophobicContact CB-CE1 3.99Å; L110-F301 HydrophobicContact CB-CZ 4.03Å
111A91.2Very high93.2Very high24 Ų2439.9 Ų39.920%0.19822%0.22CC..THydrogen-bonded Turntrans-66-16.7173.600000113.7F107 F109 F301 K302 Y305F107-A111 WeakPolarHBondContact O-CB 3.42Å; F107-A111 PolarHBondContact O-N 3.29Å; F109-A111 VanDerWaalsContact C-N 3.26Å; F109-A111 PolarHBondContact O-N 3.23Å; A111-F301 HydrophobicContact CB-CE1 4.07Å; A111-K302 HydrophobicContact CB-CG 4.5Å; A111-K302 WeakPolarHBondContact O-CD 3.31Å; A111-K302 WeakPolarHBondContact O-CE 3.37Å; A111-Y305 HydrophobicContact CB-CD1 3.92Å; A111-Y305 HydrophobicContact CB-CE1 4.22Å
112Q90.6Very high93.4Very high130 Ų13039.3 Ų39.361%0.60722%0.216SC*.THydrogen-bonded Turntrans-92.4-20.8177.5-71165.368.900113.5D108 F109 L110D108-Q112 WeakPolarHBondContact O-CG 3.21Å; D108-Q112 PolarHBondContact O-NE2 2.88Å; F109-Q112 WeakPolarHBondContact O-CB 3.29Å; F109-Q112 PolarHBondContact O-N 2.82Å; L110-Q112 PolarHBondContact O-N 3.48Å
113K90.6Very high93.6Very high39 Ų3939.3 Ų39.317%0.1721%0.208CC..  trans-65145.6178.1-81.4-165.1165.9-172.30112.5L110 L116 E120 L298 K302L110-K113 PolarHBondContact O-N 3.34Å; K113-L116 HydrophobicContact CD-CD1 4.11Å; K113-E120 IonicContact NZ-OE1 2.62Å; K113-E120 PolarHBondContact NZ-OE1 3.29Å; K113-L298 HydrophobicContact CB-CD1 4.07Å; K113-L298 WeakPolarHBondContact O-CD1 3.36Å; K113-K302 WeakPolarHBondContact O-CE 3.28Å; K113-K302 PolarHBondContact O-NZ 3.34Å
114E88.8Confident93.9Very high188 Ų18839.1 Ų39.188%0.87921%0.206SC*.SBendtrans-76.4-43.2173.4-64.2-173.4156.300111.8
115S90.6Very high94.2Very high88 Ų8838 Ų3862%0.61519%0.194SC*.  trans-135.1158.3175.559.20000111L298S115-L298 VanDerWaalsContact C-CD1 3.49Å
116L93.5Very high94.4Very high2 Ų240.2 Ų40.21%0.0120%0.203CC..  trans-151.7120.3175.2179.773.2000108.7L110 K113 E120 A121 F124 L215 V296 L298L110-L116 HydrophobicContact CD1-CD2 4.34Å; L110-L116 HydrophobicContact CD2-CD1 4.12Å; L110-L116 HydrophobicContact CD2-CD2 4Å; K113-L116 HydrophobicContact CD-CD1 4.11Å; L116-E120 WeakPolarHBondContact CA-OE2 3.43Å; L116-E120 HydrophobicContact CD1-CB 3.57Å; L116-E120 HydrophobicContact CD1-CG 4.47Å; L116-A121 HydrophobicContact CD2-CB 4.5Å; L116-F124 HydrophobicContact CD1-CE2 4.46Å; L116-L215 HydrophobicContact CD2-CD2 4.33Å; L116-V296 HydrophobicContact CB-CB 4.25Å; L116-V296 HydrophobicContact CD2-CB 4.09Å; L116-V296 HydrophobicContact CD2-CG1 4.27Å; L116-V296 HydrophobicContact CD2-CG2 3.87Å; L116-V296 HydrophobicContact CG-CB 4.35Å; L116-V296 HydrophobicContact CG-CG2 4.11Å; L116-V296 PolarHBondContact O-N 2.88Å; L116-L298 HydrophobicContact CB-CD1 3.84Å; L116-L298 HydrophobicContact CB-CD2 4.12Å; L116-L298 HydrophobicContact CB-CG 4.07Å; L116-L298 HydrophobicContact CD2-CD2 4.25Å
117C94.9Very high94.5Very high22 Ų2241.5 Ų41.515%0.14921%0.209CC..BIsolated β-bridgetrans-93164.517372.10000112.2E119 E120 A121 S294C117-E119 PolarHBondContact O-N 3.39Å; C117-E120 PolarHBondContact N-OE2 3.1Å; C117-E120 PolarHBondContact O-N 3.18Å; C117-A121 PolarHBondContact O-N 2.83Å; C117-S294 WeakPolarHBondContact CA-O 3.3Å
118E96.8Very high94.8Very high1 Ų141.5 Ų41.51%0.00521%0.209CC..Hα-helixtrans-63.6-26.9175.9-74.5-176.6-156.400112.5E120 A121 T122 L216 T249 S250 W279 K291 S294E118-E120 VanDerWaalsContact C-N 3.34Å; E118-E120 PolarHBondContact O-N 2.8Å; E118-A121 PolarHBondContact O-N 2.84Å; E118-T122 WeakPolarHBondContact O-CB 3.44Å; E118-T122 VanDerWaalsContact O-CG2 3.23Å; E118-T122 WeakPolarHBondContact O-CG2 3.1Å; E118-T122 PolarHBondContact O-N 2.88Å; E118-T122 PolarHBondContact O-OG1 3.24Å; E118-L216 HydrophobicContact CG-CD2 4.4Å; E118-T249 WeakPolarHBondContact OE1-CA 3.48Å; E118-S250 PolarHBondContact OE1-N 3.13Å; E118-S250 PolarHBondContact OE1-OG 2.8Å; E118-S250 WeakPolarHBondContact OE2-CB 3.18Å; E118-S250 PolarHBondContact OE2-OG 3.31Å; E118-W279 HydrophobicContact CG-CZ2 4.49Å; E118-W279 PolarHBondContact OE2-NE1 3.32Å; E118-K291 CarbonylContact C-O 3.55Å; E118-K291 HydrophobicContact CB-CG 4.29Å; E118-K291 WeakPolarHBondContact CB-O 3.33Å; E118-S294 PolarHBondContact N-O 3.38Å; E118-S294 WeakPolarHBondContact OE1-CB 3.4Å
119E95.5Very high95.1Very high50 Ų5039.3 Ų39.323%0.23420%0.198CC..Hα-helixtrans-62.6-39.1173.7-163.3171.5-143.900112.3C117 T122 Q123 K291 R292C117-E119 PolarHBondContact O-N 3.39Å; E119-T122 PolarHBondContact O-OG1 2.63Å; E119-T122 VanDerWaalsContact O-OG1 3.06Å; E119-Q123 WeakPolarHBondContact O-CG 3.39Å; E119-Q123 PolarHBondContact O-NE2 2.69Å; E119-K291 HydrophobicContact CB-CG 4.1Å; E119-K291 PolarHBondContact N-O 2.77Å; E119-R292 IonicContact OE1-CZ 3.6Å; E119-R292 IonicContact OE1-NE 3.61Å; E119-R292 IonicContact OE1-NH2 2.66Å; E119-R292 PolarHBondContact OE1-NH2 3.3Å; E119-R292 WeakPolarHBondContact OE2-CG 3.25Å; E119-R292 IonicContact OE2-CZ 3.4Å; E119-R292 IonicContact OE2-NE 2.71Å; E119-R292 PolarHBondContact OE2-NE 3.3Å; E119-R292 IonicContact OE2-NH2 2.64Å; E119-R292 PolarHBondContact OE2-NH2 3.47Å
120E95.1Very high95.3Very high53 Ų5339.6 Ų39.625%0.24820%0.201CC..Hα-helixtrans-74.5-45.5171.1-66.6173.696.500112.3K113 L116 C117 E118 T122 Q123 F124K113-E120 IonicContact NZ-OE1 2.62Å; K113-E120 PolarHBondContact NZ-OE1 3.29Å; L116-E120 WeakPolarHBondContact CA-OE2 3.43Å; L116-E120 HydrophobicContact CD1-CB 3.57Å; L116-E120 HydrophobicContact CD1-CG 4.47Å; C117-E120 PolarHBondContact N-OE2 3.1Å; C117-E120 PolarHBondContact O-N 3.18Å; E118-E120 VanDerWaalsContact C-N 3.34Å; E118-E120 PolarHBondContact O-N 2.8Å; E120-T122 PolarHBondContact O-N 3.48Å; E120-Q123 WeakPolarHBondContact O-CB 3.36Å; E120-Q123 PolarHBondContact O-N 2.87Å; E120-F124 WeakPolarHBondContact O-CD2 3.4Å; E120-F124 PolarHBondContact O-N 2.91Å
121A96.6Very high95.6Very high0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-54.1-43.4-178.600000111.8L116 C117 E118 Q123 F124 I125 L215 L216 V296L116-A121 HydrophobicContact CD2-CB 4.5Å; C117-A121 PolarHBondContact O-N 2.83Å; E118-A121 PolarHBondContact O-N 2.84Å; A121-Q123 VanDerWaalsContact C-N 3.3Å; A121-Q123 PolarHBondContact O-N 2.85Å; A121-F124 PolarHBondContact O-N 3.16Å; A121-I125 PolarHBondContact O-N 3.06Å; A121-I125 VanDerWaalsContact O-N 3.08Å; A121-L215 HydrophobicContact CB-CD2 3.63Å; A121-L216 HydrophobicContact CB-CD2 4.06Å; A121-V296 HydrophobicContact CB-CG2 4.37Å
122T97.8Very high96Very high4 Ų438.5 Ų38.53%0.02519%0.191CC..Hα-helixtrans-69-20.6176.6590000114.5E118 E119 E120 F124 K126 W279 I280 K291E118-T122 WeakPolarHBondContact O-CB 3.44Å; E118-T122 VanDerWaalsContact O-CG2 3.23Å; E118-T122 WeakPolarHBondContact O-CG2 3.1Å; E118-T122 PolarHBondContact O-N 2.88Å; E118-T122 PolarHBondContact O-OG1 3.24Å; E119-T122 PolarHBondContact O-OG1 2.63Å; E119-T122 VanDerWaalsContact O-OG1 3.06Å; E120-T122 PolarHBondContact O-N 3.48Å; T122-F124 VanDerWaalsContact C-N 3.33Å; T122-K126 WeakPolarHBondContact O-CB 3.49Å; T122-K126 PolarHBondContact O-N 3.17Å; T122-W279 HydrophobicContact CG2-CD2 3.5Å; T122-W279 VanDerWaalsContact CG2-CD2 3.5Å; T122-W279 HydrophobicContact CG2-CE3 3.73Å; T122-W279 HydrophobicContact CG2-CG 4.17Å; T122-W279 HydrophobicContact CG2-CH2 3.67Å; T122-W279 HydrophobicContact CG2-CZ2 3.42Å; T122-W279 VanDerWaalsContact CG2-CZ2 3.42Å; T122-W279 HydrophobicContact CG2-CZ3 3.82Å; T122-I280 HydrophobicContact CG2-CD1 4.19Å; T122-K291 WeakPolarHBondContact OG1-CE 3.31Å; T122-K291 PolarHBondContact OG1-NZ 3.06Å
123Q97.3Very high96.4Very high79 Ų7935.5 Ų35.537%0.36918%0.177SC..Hα-helixtrans-69.8-35.6173.5-66.1165.919.700110.6E119 E120 A121 Q127 L159E119-Q123 WeakPolarHBondContact O-CG 3.39Å; E119-Q123 PolarHBondContact O-NE2 2.69Å; E120-Q123 WeakPolarHBondContact O-CB 3.36Å; E120-Q123 PolarHBondContact O-N 2.87Å; A121-Q123 VanDerWaalsContact C-N 3.3Å; A121-Q123 PolarHBondContact O-N 2.85Å; Q123-Q127 WeakPolarHBondContact O-CG 3.46Å; Q123-Q127 PolarHBondContact O-N 3.41Å; Q123-L159 HydrophobicContact CB-CD1 3.86Å; Q123-L159 HydrophobicContact CB-CD2 4.26Å
124F98Very high96.8Very high0 Ų036.2 Ų36.20%018%0.179CC..Hα-helixtrans-69.6-50.5170.7-61.9-67.8000111.5L106 F109 L110 L116 E120 A121 T122 K126 Q127 I128 L159 I162L106-F124 HydrophobicContact CD1-CB 4.21Å; L106-F124 HydrophobicContact CD1-CD1 3.54Å; L106-F124 HydrophobicContact CD1-CD2 4.46Å; L106-F124 HydrophobicContact CD1-CE1 3.98Å; L106-F124 HydrophobicContact CD1-CG 3.81Å; L106-F124 HydrophobicContact CD2-CB 4.24Å; F109-F124 HydrophobicContact CD1-CZ 4.5Å; F109-F124 HydrophobicContact CE1-CE1 4.38Å; F109-F124 AromaticContact CE1-CZ 3.86Å; F109-F124 HydrophobicContact CE1-CZ 3.86Å; L110-F124 HydrophobicContact CD2-CD2 4.19Å; L110-F124 HydrophobicContact CD2-CE2 3.88Å; L110-F124 HydrophobicContact CD2-CZ 4.4Å; L116-F124 HydrophobicContact CD1-CE2 4.46Å; E120-F124 WeakPolarHBondContact O-CD2 3.4Å; E120-F124 PolarHBondContact O-N 2.91Å; A121-F124 PolarHBondContact O-N 3.16Å; T122-F124 VanDerWaalsContact C-N 3.33Å; F124-K126 VanDerWaalsContact C-N 3.29Å; F124-K126 PolarHBondContact O-N 3.42Å; F124-Q127 PolarHBondContact O-N 3Å; F124-Q127 VanDerWaalsContact O-N 3.13Å; F124-I128 PolarHBondContact O-N 3.42Å; F124-L159 HydrophobicContact CD1-CD1 4.26Å; F124-L159 HydrophobicContact CE1-CD1 3.72Å; F124-L159 HydrophobicContact CE2-CD1 4.25Å; F124-L159 HydrophobicContact CZ-CD1 3.7Å; F124-I162 HydrophobicContact CB-CD1 3.83Å; F124-I162 HydrophobicContact CD1-CD1 3.9Å; F124-I162 HydrophobicContact CD1-CG1 4.4Å; F124-I162 HydrophobicContact CG-CD1 4.37Å; F124-I162 WeakPolarHBondContact O-CD1 3.24Å
125I98.6Very high97.2Very high0 Ų027.3 Ų27.30%014%0.138CC..Hα-helixtrans-59-40177.4-61.5-58.3000111.5A121 Q127 I128 L129 I211 T212 L215 F256 W279 I280A121-I125 PolarHBondContact O-N 3.06Å; A121-I125 VanDerWaalsContact O-N 3.08Å; I125-Q127 PolarHBondContact O-N 2.71Å; I125-I128 HydrophobicContact CD1-CD1 4.19Å; I125-I128 WeakPolarHBondContact O-CB 3.34Å; I125-I128 PolarHBondContact O-N 2.66Å; I125-I128 VanDerWaalsContact O-N 3.15Å; I125-L129 HydrophobicContact CG2-CD1 3.97Å; I125-L129 HydrophobicContact CG2-CG 4.14Å; I125-L129 WeakPolarHBondContact O-CG 3.44Å; I125-L129 PolarHBondContact O-N 2.82Å; I125-I211 HydrophobicContact CD1-CG2 4.42Å; I125-T212 HydrophobicContact CD1-CG2 4.43Å; I125-T212 WeakPolarHBondContact CD1-OG1 3.3Å; I125-T212 HydrophobicContact CG1-CG2 4.38Å; I125-L215 HydrophobicContact CD1-CD1 3.91Å; I125-L215 HydrophobicContact CG1-CD1 4.38Å; I125-F256 HydrophobicContact CG2-CE1 4.06Å; I125-F256 HydrophobicContact CG2-CZ 4.16Å; I125-W279 HydrophobicContact CB-CZ3 4.38Å; I125-W279 HydrophobicContact CG1-CH2 4.16Å; I125-W279 HydrophobicContact CG1-CZ3 4.19Å; I125-W279 HydrophobicContact CG2-CZ3 4.27Å; I125-I280 HydrophobicContact CB-CD1 4.32Å; I125-I280 HydrophobicContact CG2-CD1 3.86Å
126K98.6Very high97.6Very high89 Ų8924 Ų2439%0.38711%0.112SC..Hα-helixtrans-61.4-41176.6-165.8-159.8177.6-59.10112.1T122 F124 I128 L129 D130 L275 I280T122-K126 WeakPolarHBondContact O-CB 3.49Å; T122-K126 PolarHBondContact O-N 3.17Å; F124-K126 VanDerWaalsContact C-N 3.29Å; F124-K126 PolarHBondContact O-N 3.42Å; K126-I128 VanDerWaalsContact C-N 3.28Å; K126-I128 PolarHBondContact O-N 3.02Å; K126-L129 CarbonylContact O-C 3.54Å; K126-L129 PolarHBondContact O-N 3.27Å; K126-L129 VanDerWaalsContact O-N 3.16Å; K126-D130 IonicContact NZ-OD1 3.93Å; K126-D130 PolarHBondContact NZ-OD1 2.64Å; K126-D130 IonicContact NZ-OD2 3.17Å; K126-D130 PolarHBondContact NZ-OD2 2.94Å; K126-D130 WeakPolarHBondContact O-CB 3.23Å; K126-D130 PolarHBondContact O-N 2.65Å; K126-L275 HydrophobicContact CG-CD2 3.97Å; K126-I280 HydrophobicContact CB-CG2 4.34Å; K126-I280 HydrophobicContact CG-CG2 4.13Å
127Q98.7Very high97.8Very high27 Ų2728 Ų2813%0.12614%0.141CC..Hα-helixtrans-62.3-35175.5-75.2-172.780.300112.8N80 Q123 F124 I125 G131 P160 I162N80-Q127 WeakPolarHBondContact CB-O 3.45Å; N80-Q127 PolarHBondContact ND2-OE1 3.5Å; Q123-Q127 WeakPolarHBondContact O-CG 3.46Å; Q123-Q127 PolarHBondContact O-N 3.41Å; F124-Q127 PolarHBondContact O-N 3Å; F124-Q127 VanDerWaalsContact O-N 3.13Å; I125-Q127 PolarHBondContact O-N 2.71Å; Q127-G131 PolarHBondContact O-N 3.45Å; Q127-P160 PolarHBondContact NE2-O 2.64Å; Q127-I162 HydrophobicContact CB-CB 4.02Å; Q127-I162 HydrophobicContact CB-CD1 4.22Å
128I98.8Very high97.9Very high1 Ų130.2 Ų30.21%0.00515%0.148CC..Hα-helixtrans-66.3-48.3172-55.7170.9000109.7F124 I125 K126 D130 G131 V132 I150 I162 I208 I211F124-I128 PolarHBondContact O-N 3.42Å; I125-I128 HydrophobicContact CD1-CD1 4.19Å; I125-I128 WeakPolarHBondContact O-CB 3.34Å; I125-I128 PolarHBondContact O-N 2.66Å; I125-I128 VanDerWaalsContact O-N 3.15Å; K126-I128 VanDerWaalsContact C-N 3.28Å; K126-I128 PolarHBondContact O-N 3.02Å; I128-D130 VanDerWaalsContact C-N 3.32Å; I128-D130 PolarHBondContact O-N 3.37Å; I128-G131 PolarHBondContact O-N 3.1Å; I128-V132 HydrophobicContact CG2-CG2 4.33Å; I128-V132 WeakPolarHBondContact O-CG2 3.18Å; I128-V132 PolarHBondContact O-N 2.97Å; I128-I150 HydrophobicContact CD1-CD1 4.26Å; I128-I150 HydrophobicContact CD1-CG1 4.24Å; I128-I150 HydrophobicContact CD1-CG2 3.87Å; I128-I150 HydrophobicContact CG1-CD1 4.28Å; I128-I150 HydrophobicContact CG1-CG2 4.06Å; I128-I150 HydrophobicContact CG2-CD1 4.23Å; I128-I162 HydrophobicContact CD1-CD1 4.45Å; I128-I162 HydrophobicContact CG1-CD1 4.02Å; I128-I162 HydrophobicContact CG1-CG2 4.19Å; I128-I208 HydrophobicContact CG2-CG1 4.31Å; I128-I211 HydrophobicContact CD1-CG2 4.23Å
129L98.9Very high97.9Very high0 Ų031 Ų310%016%0.157CC..Hα-helixtrans-60.5-37.9178.4-66.9170.4000112.7I125 K126 V132 Q133 M205 I208 F256 I271 A274 L275 I280I125-L129 HydrophobicContact CG2-CD1 3.97Å; I125-L129 HydrophobicContact CG2-CG 4.14Å; I125-L129 WeakPolarHBondContact O-CG 3.44Å; I125-L129 PolarHBondContact O-N 2.82Å; K126-L129 CarbonylContact O-C 3.54Å; K126-L129 PolarHBondContact O-N 3.27Å; K126-L129 VanDerWaalsContact O-N 3.16Å; L129-V132 PolarHBondContact O-N 2.84Å; L129-Q133 VanDerWaalsContact O-CB 3.25Å; L129-Q133 WeakPolarHBondContact O-CB 3.4Å; L129-Q133 PolarHBondContact O-N 3.45Å; L129-M205 HydrophobicContact CD2-CE 4.41Å; L129-I208 HydrophobicContact CD2-CD1 4.19Å; L129-I208 HydrophobicContact CD2-CG2 4.12Å; L129-F256 HydrophobicContact CD1-CZ 4.14Å; L129-I271 HydrophobicContact CB-CD1 4.14Å; L129-I271 HydrophobicContact CD2-CD1 3.51Å; L129-I271 HydrophobicContact CG-CD1 4.45Å; L129-A274 HydrophobicContact CD1-CB 4.38Å; L129-A274 HydrophobicContact CD2-CB 3.74Å; L129-L275 HydrophobicContact CB-CD1 4.39Å; L129-L275 HydrophobicContact CB-CD2 3.61Å; L129-L275 HydrophobicContact CB-CG 3.88Å; L129-L275 HydrophobicContact CD1-CD2 4.12Å; L129-L275 HydrophobicContact CD1-CG 4.37Å; L129-I280 HydrophobicContact CD1-CD1 3.82Å; L129-I280 HydrophobicContact CD1-CG1 3.78Å; L129-I280 HydrophobicContact CD1-CG2 4.28Å
130D98.8Very high98Very high35 Ų3528.7 Ų28.719%0.18715%0.146CC..Hα-helixtrans-65.2-43.4176.8-67.4-24.5000110.7H78 K126 I128 Y134 L275H78-D130 PolarHBondContact CE1-O 2.85Å; K126-D130 IonicContact NZ-OD1 3.93Å; K126-D130 PolarHBondContact NZ-OD1 2.64Å; K126-D130 IonicContact NZ-OD2 3.17Å; K126-D130 PolarHBondContact NZ-OD2 2.94Å; K126-D130 WeakPolarHBondContact O-CB 3.23Å; K126-D130 PolarHBondContact O-N 2.65Å; I128-D130 VanDerWaalsContact C-N 3.32Å; I128-D130 PolarHBondContact O-N 3.37Å; D130-Y134 PolarHBondContact O-N 3.37Å; D130-L275 WeakPolarHBondContact OD1-CD2 2.89Å
131G98.7Very high98.1Very high0 Ų026.1 Ų26.10%013%0.134CC..Hα-helixtrans-63.7-45.1173.600000113.3Q127 I128 Y134 L135Q127-G131 PolarHBondContact O-N 3.45Å; I128-G131 PolarHBondContact O-N 3.1Å; G131-Y134 WeakPolarHBondContact O-CB 3.24Å; G131-Y134 PolarHBondContact O-N 3.3Å; G131-L135 PolarHBondContact O-N 3.3Å
132V98.7Very high98.1Very high0 Ų026.1 Ų26.10%013%0.134CC..Hα-helixtrans-70.6-33.9179.4175.30000111.4I128 L129 Y134 L135 H136 L145 D204 I208 I271I128-V132 HydrophobicContact CG2-CG2 4.33Å; I128-V132 WeakPolarHBondContact O-CG2 3.18Å; I128-V132 PolarHBondContact O-N 2.97Å; L129-V132 PolarHBondContact O-N 2.84Å; V132-Y134 VanDerWaalsContact C-N 3.3Å; V132-Y134 PolarHBondContact O-N 2.91Å; V132-L135 PolarHBondContact O-N 2.97Å; V132-H136 VanDerWaalsContact CG1-CE1 3.48Å; V132-H136 WeakPolarHBondContact CG1-CE1 3.48Å; V132-H136 WeakPolarHBondContact CG1-NE2 3.44Å; V132-H136 WeakPolarHBondContact O-CB 3.45Å; V132-H136 PolarHBondContact O-CD2 3.22Å; V132-H136 PolarHBondContact O-N 3.37Å; V132-L145 HydrophobicContact CG2-CD1 3.83Å; V132-L145 HydrophobicContact CG2-CD2 4.44Å; V132-D204 HydrophobicContact CG1-CB 4.31Å; V132-I208 HydrophobicContact CB-CD1 4.25Å; V132-I208 HydrophobicContact CG1-CD1 4.04Å; V132-I208 HydrophobicContact CG2-CD1 4.15Å; V132-I271 HydrophobicContact CB-CD1 4.08Å; V132-I271 HydrophobicContact CG1-CD1 3.94Å; V132-I271 HydrophobicContact CG1-CG1 4.28Å
133Q98.7Very high98.1Very high67 Ų6726.3 Ų26.331%0.31313%0.134SC..Hα-helixtrans-58.7-42.7171.4175.2166.68700111.5L129 H136 S137 I271 L275L129-Q133 VanDerWaalsContact O-CB 3.25Å; L129-Q133 WeakPolarHBondContact O-CB 3.4Å; L129-Q133 PolarHBondContact O-N 3.45Å; Q133-H136 PolarHBondContact O-N 3.23Å; Q133-S137 WeakPolarHBondContact O-CB 3.38Å; Q133-S137 PolarHBondContact O-N 2.88Å; Q133-I271 HydrophobicContact CB-CG1 3.81Å; Q133-L275 HydrophobicContact CB-CD1 3.88Å; Q133-L275 VanDerWaalsContact CD-CD1 3.48Å; Q133-L275 HydrophobicContact CG-CD1 4.25Å; Q133-L275 VanDerWaalsContact NE2-CD1 3.26Å
134Y98.7Very high98Very high55 Ų5523.1 Ų23.122%0.21612%0.12CC..Hα-helixtrans-61.6-45.3177.1-178.5-87.1000111.8I76 Q77 H78 I81 D130 G131 V132 S137 K138I76-Y134 HydrophobicContact CB-CE1 3.84Å; I76-Y134 HydrophobicContact CG2-CE1 3.99Å; Q77-Y134 PolarHBondContact N-OH 3.13Å; Q77-Y134 WeakPolarHBondContact O-CE2 3.3Å; Q77-Y134 PolarHBondContact O-OH 3.19Å; H78-Y134 HydrophobicContact CB-CD1 3.83Å; H78-Y134 HydrophobicContact CB-CD2 4.06Å; H78-Y134 HydrophobicContact CB-CE1 4.06Å; H78-Y134 HydrophobicContact CB-CE2 4.26Å; H78-Y134 HydrophobicContact CB-CG 3.83Å; H78-Y134 AromaticContact CD2-CD2 3.53Å; H78-Y134 AromaticContact CD2-CG 3.71Å; H78-Y134 AromaticContact CG-CG 3.8Å; I81-Y134 HydrophobicContact CD1-CD1 3.86Å; D130-Y134 PolarHBondContact O-N 3.37Å; G131-Y134 WeakPolarHBondContact O-CB 3.24Å; G131-Y134 PolarHBondContact O-N 3.3Å; V132-Y134 VanDerWaalsContact C-N 3.3Å; V132-Y134 PolarHBondContact O-N 2.91Å; Y134-S137 PolarHBondContact O-N 3.4Å; Y134-S137 PolarHBondContact O-OG 3.28Å; Y134-K138 HydrophobicContact CD1-CD 4.41Å; Y134-K138 HydrophobicContact CE1-CD 3.87Å; Y134-K138 VanDerWaalsContact OH-CE 3.23Å; Y134-K138 WeakPolarHBondContact OH-CE 3.39Å
135L98.5Very high98Very high1 Ų123.2 Ų23.21%0.00512%0.12CC..Hα-helixtrans-62.3-49.2175.7-66.1178.5000112.1I76 I81 G131 V132 S137 K138 G139 I140 H142 F167I76-L135 HydrophobicContact CD1-CD2 4.17Å; I76-L135 HydrophobicContact CG2-CD2 3.88Å; I81-L135 HydrophobicContact CD1-CD1 4.34Å; I81-L135 HydrophobicContact CD1-CD2 3.74Å; I81-L135 HydrophobicContact CD1-CG 3.77Å; G131-L135 PolarHBondContact O-N 3.3Å; V132-L135 PolarHBondContact O-N 2.97Å; L135-S137 VanDerWaalsContact C-N 3.27Å; L135-S137 PolarHBondContact O-N 3.22Å; L135-K138 WeakPolarHBondContact O-CA 3.47Å; L135-K138 WeakPolarHBondContact O-CB 3.26Å; L135-K138 PolarHBondContact O-N 2.81Å; L135-G139 PolarHBondContact O-N 3.48Å; L135-I140 CarbonylContact C-O 3.53Å; L135-I140 HydrophobicContact CB-CB 4.27Å; L135-I140 WeakPolarHBondContact CB-O 3.32Å; L135-I140 HydrophobicContact CD2-CB 4.39Å; L135-I140 HydrophobicContact CD2-CG2 4.17Å; L135-I140 PolarHBondContact O-N 3.23Å; L135-H142 HydrophobicContact CD1-CB 4.29Å; L135-F167 HydrophobicContact CD1-CE1 3.78Å; L135-F167 HydrophobicContact CD1-CZ 4.01Å; L135-F167 HydrophobicContact CD2-CE1 3.74Å; L135-F167 HydrophobicContact CD2-CZ 4.22Å; L135-F167 HydrophobicContact CG-CE1 4.42Å
136H98Very high97.8Very high18 Ų1824.4 Ų24.48%0.08313%0.125CC..Hα-helixtrans-62.8-34.2-179.6-73-163.6000111.7V132 Q133 K138 G139 I140 L201 D204 I271V132-H136 VanDerWaalsContact CG1-CE1 3.48Å; V132-H136 WeakPolarHBondContact CG1-CE1 3.48Å; V132-H136 WeakPolarHBondContact CG1-NE2 3.44Å; V132-H136 WeakPolarHBondContact O-CB 3.45Å; V132-H136 PolarHBondContact O-CD2 3.22Å; V132-H136 PolarHBondContact O-N 3.37Å; Q133-H136 PolarHBondContact O-N 3.23Å; H136-K138 PolarHBondContact O-N 3.46Å; H136-G139 PolarHBondContact O-N 3.21Å; H136-I140 PolarHBondContact CD2-O 3.48Å; H136-L201 HydrophobicContact CB-CD1 4.07Å; H136-L201 PolarHBondContact CE1-O 2.95Å; H136-D204 IonicContact CD2-OD2 3.48Å; H136-D204 IonicContact CE1-OD2 2.75Å; H136-D204 IonicContact NE2-OD2 3.73Å; H136-D204 PolarHBondContact NE2-OD2 3.12Å; H136-I271 HydrophobicContact CB-CG2 3.96Å
137S97.6Very high97.5Very high86 Ų8620.7 Ų20.760%0.60111%0.11SC*.Hα-helixtrans-62.5-22.9173.982.20000114.1Q133 Y134 L135Q133-S137 WeakPolarHBondContact O-CB 3.38Å; Q133-S137 PolarHBondContact O-N 2.88Å; Y134-S137 PolarHBondContact O-N 3.4Å; Y134-S137 PolarHBondContact O-OG 3.28Å; L135-S137 VanDerWaalsContact C-N 3.27Å; L135-S137 PolarHBondContact O-N 3.22Å
138K97.1Very high97.2Very high68 Ų6823.5 Ų23.530%0.29612%0.123SC..THydrogen-bonded Turntrans-96.62174.4-69.8169.8174.6-82.40113.2E75 I76 Y134 L135 H136 I140 K172E75-K138 VanDerWaalsContact O-CE 3.23Å; E75-K138 WeakPolarHBondContact O-CE 3.38Å; E75-K138 PolarHBondContact O-NZ 2.88Å; I76-K138 HydrophobicContact CG2-CD 4.03Å; Y134-K138 HydrophobicContact CD1-CD 4.41Å; Y134-K138 HydrophobicContact CE1-CD 3.87Å; Y134-K138 VanDerWaalsContact OH-CE 3.23Å; Y134-K138 WeakPolarHBondContact OH-CE 3.39Å; L135-K138 WeakPolarHBondContact O-CA 3.47Å; L135-K138 WeakPolarHBondContact O-CB 3.26Å; L135-K138 PolarHBondContact O-N 2.81Å; H136-K138 PolarHBondContact O-N 3.46Å; K138-I140 VanDerWaalsContact C-N 3.33Å; K138-I140 HydrophobicContact CB-CD1 3.75Å; K138-I140 HydrophobicContact CB-CG1 3.99Å; K138-I140 HydrophobicContact CD-CD1 4.18Å; K138-K172 VanDerWaalsContact O-CE 3.31Å; K138-K172 WeakPolarHBondContact O-CE 3.47Å
139G96.8Very high97Very high19 Ų1923.9 Ų23.920%0.19613%0.125CC..THydrogen-bonded Turntrans6829.7-17200000113.2L135 H136 K172 I173L135-G139 PolarHBondContact O-N 3.48Å; H136-G139 PolarHBondContact O-N 3.21Å; G139-K172 CarbonylContact O-C 3.42Å; G139-K172 WeakPolarHBondContact O-CA 3.4Å; G139-I173 PolarHBondContact O-N 3.22Å
140I98Very high97Very high0 Ų023.9 Ų23.90%013%0.125CC..EExtended strand (participates in β ladder)trans-103.4123.7179.7-59.1166.9000108.8I72 I76 L135 H136 K138 H171 K172I72-I140 HydrophobicContact CD1-CG2 4.47Å; I72-I140 HydrophobicContact CG2-CD1 4.38Å; I72-I140 HydrophobicContact CG2-CG2 4.03Å; I76-I140 HydrophobicContact CG2-CD1 3.85Å; L135-I140 CarbonylContact C-O 3.53Å; L135-I140 HydrophobicContact CB-CB 4.27Å; L135-I140 WeakPolarHBondContact CB-O 3.32Å; L135-I140 HydrophobicContact CD2-CB 4.39Å; L135-I140 HydrophobicContact CD2-CG2 4.17Å; L135-I140 PolarHBondContact O-N 3.23Å; H136-I140 PolarHBondContact CD2-O 3.48Å; K138-I140 VanDerWaalsContact C-N 3.33Å; K138-I140 HydrophobicContact CB-CD1 3.75Å; K138-I140 HydrophobicContact CB-CG1 3.99Å; K138-I140 HydrophobicContact CD-CD1 4.18Å; I140-H171 WeakPolarHBondContact CA-O 3.46Å; I140-K172 HydrophobicContact CG1-CG 4.21Å
141A97.4Very high96.8Very high0 Ų024.1 Ų24.10%013%0.126CC..EExtended strand (participates in β ladder)trans-94143.5165.700000109.8F143 A170 H171 I173 L201 D204A141-F143 HydrophobicContact CB-CD1 4.3Å; A141-F143 HydrophobicContact CB-CD2 3.84Å; A141-F143 HydrophobicContact CB-CE1 4.02Å; A141-F143 HydrophobicContact CB-CE2 3.53Å; A141-F143 HydrophobicContact CB-CG 4.22Å; A141-F143 HydrophobicContact CB-CZ 3.63Å; A141-A170 VanDerWaalsContact O-CA 3.29Å; A141-A170 WeakPolarHBondContact O-CA 3.24Å; A141-A170 WeakPolarHBondContact O-CB 3.39Å; A141-H171 PolarHBondContact N-O 2.8Å; A141-H171 PolarHBondContact O-N 3.02Å; A141-I173 HydrophobicContact CB-CD1 4.03Å; A141-I173 HydrophobicContact CB-CG1 3.89Å; A141-L201 HydrophobicContact CB-CD2 4.1Å; A141-D204 VanDerWaalsContact CA-OD2 3.31Å; A141-D204 WeakPolarHBondContact CA-OD2 3.41Å
142H97.7Very high96.8Very high0 Ų024.1 Ų24.10%013%0.126CC..  trans-85.2-39.2178.2-168.5-87.5000112.3L135 D144 L145 I165 F167 D204L135-H142 HydrophobicContact CD1-CB 4.29Å; H142-D144 PolarHBondContact ND1-N 3.32Å; H142-D144 PolarHBondContact O-N 2.88Å; H142-L145 HydrophobicContact CB-CD1 4.49Å; H142-L145 HydrophobicContact CB-CD2 4.04Å; H142-L145 HydrophobicContact CB-CG 3.95Å; H142-I165 PolarHBondContact CE1-O 2.91Å; H142-I165 PolarHBondContact NE2-O 3.44Å; H142-F167 AromaticContact CD2-CD1 3.96Å; H142-F167 AromaticContact CD2-CE1 3.59Å; H142-F167 AromaticContact CD2-CZ 3.64Å; H142-F167 AromaticContact NE2-CE2 3.87Å; H142-F167 AromaticContact NE2-CZ 3.94Å; H142-D204 PolarHBondContact N-OD1 2.97Å; H142-D204 VanDerWaalsContact N-OD1 3.16Å; H142-D204 PolarHBondContact N-OD2 2.75Å
143F96.5Very high96.5Very high7 Ų726.5 Ų26.53%0.03114%0.139CC..SBendtrans60.1-12.1179.4-69-53.7000118A141 L169 H171 I173 F179 F183 L199 G200 A203 D204A141-F143 HydrophobicContact CB-CD1 4.3Å; A141-F143 HydrophobicContact CB-CD2 3.84Å; A141-F143 HydrophobicContact CB-CE1 4.02Å; A141-F143 HydrophobicContact CB-CE2 3.53Å; A141-F143 HydrophobicContact CB-CG 4.22Å; A141-F143 HydrophobicContact CB-CZ 3.63Å; F143-L169 HydrophobicContact CB-CB 4.42Å; F143-H171 HydrophobicContact CD2-CB 4.13Å; F143-H171 HydrophobicContact CE2-CB 3.77Å; F143-I173 HydrophobicContact CE2-CD1 3.86Å; F143-I173 HydrophobicContact CZ-CD1 3.77Å; F143-F179 HydrophobicContact CD2-CE1 4.37Å; F143-F179 HydrophobicContact CE2-CD1 4.15Å; F143-F179 AromaticContact CE2-CE1 3.55Å; F143-F179 HydrophobicContact CE2-CE1 3.55Å; F143-F179 HydrophobicContact CZ-CD1 4.2Å; F143-F179 AromaticContact CZ-CE1 3.96Å; F143-F179 HydrophobicContact CZ-CE1 3.96Å; F143-F183 HydrophobicContact CB-CD2 4.28Å; F143-F183 HydrophobicContact CB-CE2 3.58Å; F143-F183 HydrophobicContact CB-CZ 3.87Å; F143-F183 AromaticContact CD1-CE2 3.7Å; F143-F183 HydrophobicContact CD1-CE2 3.7Å; F143-F183 AromaticContact CD1-CZ 3.81Å; F143-F183 HydrophobicContact CD1-CZ 3.81Å; F143-F183 HydrophobicContact CD2-CE1 4.39Å; F143-F183 HydrophobicContact CD2-CE2 4.18Å; F143-F183 AromaticContact CD2-CZ 3.61Å; F143-F183 HydrophobicContact CD2-CZ 3.61Å; F143-F183 HydrophobicContact CE1-CE2 4.4Å; F143-F183 HydrophobicContact CE1-CZ 4.2Å; F143-F183 HydrophobicContact CE2-CZ 4.01Å; F143-F183 AromaticContact CG-CE2 3.58Å; F143-F183 HydrophobicContact CG-CE2 3.58Å; F143-F183 AromaticContact CG-CZ 3.5Å; F143-F183 HydrophobicContact CG-CZ 3.5Å; F143-F183 VanDerWaalsContact CG-CZ 3.5Å; F143-F183 HydrophobicContact CZ-CZ 4.29Å; F143-L199 HydrophobicContact CE1-CB 4.05Å; F143-L199 HydrophobicContact CE1-CD1 4.46Å; F143-L199 HydrophobicContact CZ-CB 3.91Å; F143-G200 WeakPolarHBondContact CE1-O 3.31Å; F143-A203 HydrophobicContact CD1-CB 3.94Å; F143-A203 HydrophobicContact CE1-CB 3.75Å; F143-D204 PolarHBondContact N-OD1 3.16Å
144D95.5Very high96.1Very high13 Ų1326.5 Ų26.57%0.0714%0.14CC..  trans-122.641.3175.4-159.525.9000112.3H142 K146 N149 L169H142-D144 PolarHBondContact ND1-N 3.32Å; H142-D144 PolarHBondContact O-N 2.88Å; D144-K146 PolarHBondContact O-N 3.06Å; D144-K146 IonicContact OD1-NZ 3.51Å; D144-K146 PolarHBondContact OD1-NZ 3.04Å; D144-K146 IonicContact OD2-NZ 3.22Å; D144-K146 PolarHBondContact OD2-NZ 3.39Å; D144-N149 PolarHBondContact O-ND2 2.98Å; D144-N149 PolarHBondContact OD2-ND2 3.37Å; D144-L169 HydrophobicContact CB-CB 4.24Å; D144-L169 HydrophobicContact CB-CD1 4.01Å; D144-L169 HydrophobicContact CB-CG 4.42Å
145L97.2Very high95.7Very high1 Ų131 Ų311%0.00516%0.157CC..  trans-74.8114173.9-68178.3000110V132 H142 I150 V164 D204 S207 I208 I211V132-L145 HydrophobicContact CG2-CD1 3.83Å; V132-L145 HydrophobicContact CG2-CD2 4.44Å; H142-L145 HydrophobicContact CB-CD1 4.49Å; H142-L145 HydrophobicContact CB-CD2 4.04Å; H142-L145 HydrophobicContact CB-CG 3.95Å; L145-I150 HydrophobicContact CD2-CD1 4.44Å; L145-V164 HydrophobicContact CD2-CG1 3.91Å; L145-D204 HydrophobicContact CD1-CB 3.68Å; L145-S207 WeakPolarHBondContact O-CB 3.47Å; L145-I208 HydrophobicContact CD1-CD1 4.27Å; L145-I208 HydrophobicContact CD1-CG1 4.04Å; L145-I211 HydrophobicContact CB-CD1 4.11Å
146K94.3Very high95.3Very high26 Ų2635.7 Ų35.711%0.11319%0.19CC..SBendtrans-155.3158.7-179.462.8-176.8-177.8-129.60109.9D144 E148 N149 I150 F188D144-K146 PolarHBondContact O-N 3.06Å; D144-K146 IonicContact OD1-NZ 3.51Å; D144-K146 PolarHBondContact OD1-NZ 3.04Å; D144-K146 IonicContact OD2-NZ 3.22Å; D144-K146 PolarHBondContact OD2-NZ 3.39Å; K146-E148 WeakPolarHBondContact CB-OE2 3.44Å; K146-E148 HydrophobicContact CD-CB 4.46Å; K146-E148 WeakPolarHBondContact CD-OE2 3.35Å; K146-E148 HydrophobicContact CG-CB 4.35Å; K146-E148 VanDerWaalsContact CG-OE2 3.24Å; K146-E148 WeakPolarHBondContact CG-OE2 3.45Å; K146-E148 PolarHBondContact O-N 2.91Å; K146-E148 VanDerWaalsContact O-N 3.11Å; K146-N149 WeakPolarHBondContact CE-ND2 3.37Å; K146-N149 WeakPolarHBondContact CE-OD1 3.11Å; K146-N149 HydrophobicContact CG-CB 4.11Å; K146-N149 PolarHBondContact O-N 3.05Å; K146-I150 PolarHBondContact O-N 3.02Å; K146-F188 HydrophobicContact CB-CD1 4.19Å; K146-F188 HydrophobicContact CB-CD2 3.77Å; K146-F188 HydrophobicContact CB-CE1 4.35Å; K146-F188 HydrophobicContact CB-CE2 3.94Å; K146-F188 HydrophobicContact CB-CG 3.92Å; K146-F188 HydrophobicContact CB-CZ 4.25Å
147P93.8Very high94.9Very high11 Ų1138.2 Ų38.27%0.07121%0.206CC..G310 helixtrans-44.9-42179.6-34.439.7000115.2F107 N149 I150 F188F107-P147 HydrophobicContact CD1-CB 4.46Å; F107-P147 HydrophobicContact CD2-CB 3.55Å; F107-P147 HydrophobicContact CD2-CG 4.17Å; F107-P147 HydrophobicContact CE1-CG 4.36Å; F107-P147 HydrophobicContact CE2-CB 3.75Å; F107-P147 HydrophobicContact CE2-CG 3.92Å; F107-P147 HydrophobicContact CG-CB 3.95Å; F107-P147 HydrophobicContact CZ-CB 4.32Å; F107-P147 HydrophobicContact CZ-CG 4.03Å; P147-N149 PolarHBondContact O-N 2.55Å; P147-I150 PolarHBondContact O-N 2.79Å; P147-I150 VanDerWaalsContact O-N 3.15Å; P147-F188 HydrophobicContact CG-CE1 3.93Å; P147-F188 HydrophobicContact CG-CZ 3.84Å
148E91.3Very high94.3Very high85 Ų8542 Ų4240%0.39722%0.219SC..G310 helixtrans-64.8-27.7-178.9-55.293.7142.900112.6K146K146-E148 WeakPolarHBondContact CB-OE2 3.44Å; K146-E148 HydrophobicContact CD-CB 4.46Å; K146-E148 WeakPolarHBondContact CD-OE2 3.35Å; K146-E148 HydrophobicContact CG-CB 4.35Å; K146-E148 VanDerWaalsContact CG-OE2 3.24Å; K146-E148 WeakPolarHBondContact CG-OE2 3.45Å; K146-E148 PolarHBondContact O-N 2.91Å; K146-E148 VanDerWaalsContact O-N 3.11Å
149N95.6Very high94Very high9 Ų942.5 Ų42.55%0.04823%0.225CC..G310 helixtrans-952.6179-70.8-2000113.1D144 K146 P147 V164 I165D144-N149 PolarHBondContact O-ND2 2.98Å; D144-N149 PolarHBondContact OD2-ND2 3.37Å; K146-N149 WeakPolarHBondContact CE-ND2 3.37Å; K146-N149 WeakPolarHBondContact CE-OD1 3.11Å; K146-N149 HydrophobicContact CG-CB 4.11Å; K146-N149 PolarHBondContact O-N 3.05Å; P147-N149 PolarHBondContact O-N 2.55Å; N149-V164 WeakPolarHBondContact O-CA 3.5Å; N149-I165 HydrophobicContact CB-CG1 4.14Å; N149-I165 WeakPolarHBondContact O-CG1 3.48Å; N149-I165 PolarHBondContact O-N 2.89Å
150I97.6Very high93.9Very high0 Ų041.6 Ų41.60%022%0.215CC..EExtended strand (participates in β ladder)trans-105.985.1173.9-53-56.8000108.7L106 I128 L145 K146 P147 I162 V164 I211L106-I150 HydrophobicContact CB-CG2 3.97Å; L106-I150 WeakPolarHBondContact CB-O 3.4Å; L106-I150 HydrophobicContact CD2-CG2 3.77Å; L106-I150 PolarHBondContact N-O 2.56Å; I128-I150 HydrophobicContact CD1-CD1 4.26Å; I128-I150 HydrophobicContact CD1-CG1 4.24Å; I128-I150 HydrophobicContact CD1-CG2 3.87Å; I128-I150 HydrophobicContact CG1-CD1 4.28Å; I128-I150 HydrophobicContact CG1-CG2 4.06Å; I128-I150 HydrophobicContact CG2-CD1 4.23Å; L145-I150 HydrophobicContact CD2-CD1 4.44Å; K146-I150 PolarHBondContact O-N 3.02Å; P147-I150 PolarHBondContact O-N 2.79Å; P147-I150 VanDerWaalsContact O-N 3.15Å; I150-I162 HydrophobicContact CG2-CD1 4.05Å; I150-I162 HydrophobicContact CG2-CG1 4.26Å; I150-I162 HydrophobicContact CG2-CG2 3.8Å; I150-V164 HydrophobicContact CD1-CG2 4.05Å; I150-I211 HydrophobicContact CG1-CD1 4.34Å
151M96.1Very high93.9Very high41 Ų4147.2 Ų47.220%0.20224%0.236CC..EExtended strand (participates in β ladder)trans-95.5167.6-178.3-69.3-16672.300112.6V101 G104 I162 K163 I165V101-M151 HydrophobicContact CG1-CB 3.52Å; V101-M151 HydrophobicContact CG1-CE 4.35Å; V101-M151 HydrophobicContact CG1-SD 4.43Å; V101-M151 WeakPolarHBondContact O-CE 3.35Å; G104-M151 CarbonylContact O-C 3.5Å; G104-M151 VanDerWaalsContact O-CA 3.3Å; G104-M151 WeakPolarHBondContact O-CA 3.16Å; M151-I162 CarbonylContact O-C 3.57Å; M151-I162 WeakPolarHBondContact O-CA 3.12Å; M151-K163 PolarHBondContact N-O 2.83Å; M151-K163 PolarHBondContact O-N 2.83Å; M151-I165 HydrophobicContact CB-CG2 4.41Å; M151-I165 HydrophobicContact CG-CD1 3.99Å; M151-I165 HydrophobicContact CG-CG1 4.16Å; M151-I165 HydrophobicContact CG-CG2 4.48Å; M151-I165 HydrophobicContact SD-CD1 3.55Å; M151-I165 VanDerWaalsContact SD-CD1 3.55Å; M151-I165 HydrophobicContact SD-CG1 4.26Å; M151-I165 HydrophobicContact SD-CG2 4.38Å
152L97.1Very high93.9Very high0 Ų047.2 Ų47.20%024%0.236CC..EExtended strand (participates in β ladder)trans-111.3134.7177.3-55-176.1000110.2V101 G103 G104 L106 F109 P160 R161 I162V101-L152 WeakPolarHBondContact CG1-O 3.46Å; G103-L152 WeakPolarHBondContact CA-O 2.92Å; G103-L152 PolarHBondContact N-O 3.2Å; G104-L152 PolarHBondContact O-N 3.37Å; L106-L152 HydrophobicContact CB-CD2 4.16Å; L106-L152 HydrophobicContact CD1-CD2 4.05Å; F109-L152 HydrophobicContact CB-CD1 3.47Å; F109-L152 VanDerWaalsContact CB-CD1 3.47Å; F109-L152 HydrophobicContact CD1-CD1 4.02Å; F109-L152 HydrophobicContact CD2-CD1 4.09Å; F109-L152 HydrophobicContact CG-CD1 3.61Å; L152-P160 HydrophobicContact CB-CB 4.07Å; L152-P160 HydrophobicContact CD1-CB 3.78Å; L152-P160 HydrophobicContact CD1-CG 4.01Å; L152-P160 HydrophobicContact CD2-CB 3.88Å; L152-P160 HydrophobicContact CG-CB 4.11Å; L152-R161 WeakPolarHBondContact CA-O 3.47Å; L152-I162 HydrophobicContact CD2-CG1 3.7Å
153L93.1Very high93.9Very high50 Ų5047.7 Ų47.726%0.26224%0.238SC..SBendtrans-65.8-52.8179.2-177.261.4000111.6E99 S102 G103 R161 K163E99-L153 HydrophobicContact CG-CD1 4.43Å; S102-L153 PolarHBondContact N-O 2.86Å; S102-L153 PolarHBondContact OG-O 2.97Å; G103-L153 PolarHBondContact N-O 2.95Å; L153-R161 HydrophobicContact CB-CB 4.27Å; L153-R161 PolarHBondContact N-O 3.05Å; L153-K163 HydrophobicContact CB-CG 4.24Å
154D90.3Very high94Very high66 Ų6647.4 Ų47.435%0.35324%0.237SC..  trans-138.5137.5171.4172.429.3000109.1S156 P160D154-S156 WeakPolarHBondContact OD1-CB 3.4Å; D154-S156 PolarHBondContact OD1-N 3.35Å; D154-S156 PolarHBondContact OD1-OG 2.91Å; D154-S156 WeakPolarHBondContact OD2-CB 3.43Å; D154-S156 PolarHBondContact OD2-OG 2.75Å; D154-P160 VanDerWaalsContact O-CB 3.3Å; D154-P160 WeakPolarHBondContact O-CB 3.47Å
155R90.8Very high94Very high151 Ų15148.5 Ų48.557%0.5724%0.243SC*.SBendtrans-99.2-2179.768.6178.9-176.2-166.31.2114G103 F109 V157G103-R155 WeakPolarHBondContact O-CD 3.33Å; F109-R155 HydrophobicContact CD2-CB 4.27Å; R155-V157 VanDerWaalsContact C-N 3.28Å; R155-V157 PolarHBondContact O-N 3.26Å
156S89.2Confident93.8Very high98 Ų9851.2 Ų51.269%0.68526%0.257SS*.SBendtrans-72.3-21.9-17984.40000113.4D154D154-S156 WeakPolarHBondContact OD1-CB 3.4Å; D154-S156 PolarHBondContact OD1-N 3.35Å; D154-S156 PolarHBondContact OD1-OG 2.91Å; D154-S156 WeakPolarHBondContact OD2-CB 3.43Å; D154-S156 PolarHBondContact OD2-OG 2.75Å
157V90Very high93.9Very high71 Ų7150 Ų5043%0.4325%0.252SS..SBendtrans-92.7153-178-61.60000112.6R155 L159 P160R155-V157 VanDerWaalsContact C-N 3.28Å; R155-V157 PolarHBondContact O-N 3.26Å; V157-L159 VanDerWaalsContact C-N 3.33Å; V157-L159 PolarHBondContact O-N 3.27Å; V157-P160 HydrophobicContact CG2-CG 4.41Å; V157-P160 VanDerWaalsContact O-CD 3.31Å; V157-P160 WeakPolarHBondContact O-CD 3.44Å; V157-P160 WeakPolarHBondContact O-CG 3.31Å
158L85.3Confident93.8Very high166 Ų16650.9 Ų50.987%0.86926%0.263SS*.SBendtrans-62.4-33.8-176.1-65.3175.4000114.5
159L90.4Very high93.8Very high79 Ų7949.4 Ų49.441%0.41426%0.257SS..SBendtrans-124.587.5173.6-17866.1000109.1Q123 F124 V157Q123-L159 HydrophobicContact CB-CD1 3.86Å; Q123-L159 HydrophobicContact CB-CD2 4.26Å; F124-L159 HydrophobicContact CD1-CD1 4.26Å; F124-L159 HydrophobicContact CE1-CD1 3.72Å; F124-L159 HydrophobicContact CE2-CD1 4.25Å; F124-L159 HydrophobicContact CZ-CD1 3.7Å; V157-L159 VanDerWaalsContact C-N 3.33Å; V157-L159 PolarHBondContact O-N 3.27Å
160P95.1Very high93.9Very high0 Ų049 Ų490%026%0.255CS..PPolyproline II helixtrans-55.4143.4176.6-33.541.8000113.8F109 Q127 L152 D154 V157 I162F109-P160 HydrophobicContact CD2-CG 4.32Å; F109-P160 HydrophobicContact CE1-CG 4.01Å; F109-P160 HydrophobicContact CE2-CG 3.78Å; F109-P160 HydrophobicContact CZ-CG 3.6Å; Q127-P160 PolarHBondContact NE2-O 2.64Å; L152-P160 HydrophobicContact CB-CB 4.07Å; L152-P160 HydrophobicContact CD1-CB 3.78Å; L152-P160 HydrophobicContact CD1-CG 4.01Å; L152-P160 HydrophobicContact CD2-CB 3.88Å; L152-P160 HydrophobicContact CG-CB 4.11Å; D154-P160 VanDerWaalsContact O-CB 3.3Å; D154-P160 WeakPolarHBondContact O-CB 3.47Å; V157-P160 HydrophobicContact CG2-CG 4.41Å; V157-P160 VanDerWaalsContact O-CD 3.31Å; V157-P160 WeakPolarHBondContact O-CD 3.44Å; V157-P160 WeakPolarHBondContact O-CG 3.31Å; P160-I162 PolarHBondContact O-N 3.38Å
161R97.4Very high93.8Very high117 Ų11751.1 Ų51.144%0.44227%0.265SS..PPolyproline II helixtrans-74.8118.5170.7-176-177.3-63.7-813.3109.1P79 L152 L153P79-R161 WeakPolarHBondContact O-CD 3.34Å; L152-R161 WeakPolarHBondContact CA-O 3.47Å; L153-R161 HydrophobicContact CB-CB 4.27Å; L153-R161 PolarHBondContact N-O 3.05Å
162I98.1Very high93.8Very high0 Ų052.7 Ų52.70%027%0.271CS..EExtended strand (participates in β ladder)trans-72.3141.2173.2-79171.5000110.1N80 L106 F124 Q127 I128 I150 M151 L152 P160N80-I162 VanDerWaalsContact CA-O 3.27Å; N80-I162 WeakPolarHBondContact CA-O 3.44Å; N80-I162 PolarHBondContact ND2-O 3.31Å; L106-I162 HydrophobicContact CD1-CD1 4.32Å; L106-I162 HydrophobicContact CD2-CD1 3.91Å; F124-I162 HydrophobicContact CB-CD1 3.83Å; F124-I162 HydrophobicContact CD1-CD1 3.9Å; F124-I162 HydrophobicContact CD1-CG1 4.4Å; F124-I162 HydrophobicContact CG-CD1 4.37Å; F124-I162 WeakPolarHBondContact O-CD1 3.24Å; Q127-I162 HydrophobicContact CB-CB 4.02Å; Q127-I162 HydrophobicContact CB-CD1 4.22Å; I128-I162 HydrophobicContact CD1-CD1 4.45Å; I128-I162 HydrophobicContact CG1-CD1 4.02Å; I128-I162 HydrophobicContact CG1-CG2 4.19Å; I150-I162 HydrophobicContact CG2-CD1 4.05Å; I150-I162 HydrophobicContact CG2-CG1 4.26Å; I150-I162 HydrophobicContact CG2-CG2 3.8Å; M151-I162 CarbonylContact O-C 3.57Å; M151-I162 WeakPolarHBondContact O-CA 3.12Å; L152-I162 HydrophobicContact CD2-CG1 3.7Å; P160-I162 PolarHBondContact O-N 3.38Å
163K98.1Very high93.6Very high10 Ų1054.6 Ų54.64%0.04328%0.281CS..EExtended strand (participates in β ladder)trans-126.4118.7169.6-75.5-80.6175.9162.90108.6P79 I81 E99 V101 M151 L153P79-K163 WeakPolarHBondContact O-CE 3.08Å; I81-K163 VanDerWaalsContact C-CD 3.48Å; I81-K163 WeakPolarHBondContact O-CD 3.07Å; I81-K163 PolarHBondContact O-NZ 2.85Å; E99-K163 WeakPolarHBondContact OE1-CE 3.48Å; E99-K163 IonicContact OE1-NZ 2.78Å; E99-K163 PolarHBondContact OE1-NZ 3.44Å; E99-K163 VanDerWaalsContact OE2-CE 3.31Å; E99-K163 WeakPolarHBondContact OE2-CE 3.37Å; E99-K163 IonicContact OE2-NZ 3.36Å; E99-K163 PolarHBondContact OE2-NZ 2.89Å; V101-K163 HydrophobicContact CG1-CB 3.88Å; V101-K163 HydrophobicContact CG1-CG 4.31Å; V101-K163 HydrophobicContact CG2-CB 3.89Å; V101-K163 HydrophobicContact CG2-CG 4.03Å; M151-K163 PolarHBondContact N-O 2.83Å; M151-K163 PolarHBondContact O-N 2.83Å; L153-K163 HydrophobicContact CB-CG 4.24Å
164V98.2Very high93.4Very high1 Ų159 Ų591%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-75.1131.1168.2-177.80000108.7N80 V82 L145 N149 I150N80-V164 PolarHBondContact O-N 2.85Å; V82-V164 PolarHBondContact N-O 3.41Å; L145-V164 HydrophobicContact CD2-CG1 3.91Å; N149-V164 WeakPolarHBondContact O-CA 3.5Å; I150-V164 HydrophobicContact CD1-CG2 4.05Å
165I96.1Very high93Very high36 Ų3662.4 Ų62.419%0.18532%0.324CS..  trans-126169.4-17667147000112.8V82 V101 H142 N149 M151V82-I165 HydrophobicContact CB-CG2 4.14Å; V82-I165 HydrophobicContact CG1-CG2 4.41Å; V101-I165 HydrophobicContact CG2-CG2 4.41Å; H142-I165 PolarHBondContact CE1-O 2.91Å; H142-I165 PolarHBondContact NE2-O 3.44Å; N149-I165 HydrophobicContact CB-CG1 4.14Å; N149-I165 WeakPolarHBondContact O-CG1 3.48Å; N149-I165 PolarHBondContact O-N 2.89Å; M151-I165 HydrophobicContact CB-CG2 4.41Å; M151-I165 HydrophobicContact CG-CD1 3.99Å; M151-I165 HydrophobicContact CG-CG1 4.16Å; M151-I165 HydrophobicContact CG-CG2 4.48Å; M151-I165 HydrophobicContact SD-CD1 3.55Å; M151-I165 VanDerWaalsContact SD-CD1 3.55Å; M151-I165 HydrophobicContact SD-CG1 4.26Å; M151-I165 HydrophobicContact SD-CG2 4.38Å
166D93.2Very high92.3Very high59 Ų5959.3 Ų59.332%0.31634%0.339SS..  trans61.479.1175.9-1588.6000116.5K47 G168K47-D166 IonicContact NZ-OD1 2.77Å; K47-D166 PolarHBondContact NZ-OD1 3.32Å; D166-G168 PolarHBondContact O-N 2.96Å; D166-G168 PolarHBondContact OD1-N 2.78Å
167F95.1Very high92Very high1 Ų156.9 Ų56.90%0.00432%0.324CS..G310 helixtrans-81.212.4179.3-76.7-100.6000114.1E69 I72 L73 I76 I81 V82 L135 H142 L169 A170E69-F167 HydrophobicContact CG-CB 4.2Å; I72-F167 HydrophobicContact CG2-CD1 3.75Å; I72-F167 HydrophobicContact CG2-CE1 4.43Å; L73-F167 HydrophobicContact CD2-CB 4.1Å; L73-F167 HydrophobicContact CD2-CD2 3.74Å; L73-F167 HydrophobicContact CD2-CE2 4.44Å; L73-F167 HydrophobicContact CD2-CG 3.91Å; L73-F167 HydrophobicContact CG-CB 4.22Å; L73-F167 HydrophobicContact CG-CG 4.49Å; I76-F167 HydrophobicContact CD1-CD1 4.06Å; I76-F167 HydrophobicContact CD1-CE1 3.64Å; I76-F167 HydrophobicContact CD1-CE2 4.28Å; I76-F167 HydrophobicContact CD1-CZ 3.77Å; I81-F167 HydrophobicContact CG2-CE2 3.56Å; I81-F167 HydrophobicContact CG2-CZ 3.41Å; I81-F167 VanDerWaalsContact CG2-CZ 3.41Å; V82-F167 HydrophobicContact CG1-CD2 4.34Å; V82-F167 HydrophobicContact CG1-CE2 4.22Å; L135-F167 HydrophobicContact CD1-CE1 3.78Å; L135-F167 HydrophobicContact CD1-CZ 4.01Å; L135-F167 HydrophobicContact CD2-CE1 3.74Å; L135-F167 HydrophobicContact CD2-CZ 4.22Å; L135-F167 HydrophobicContact CG-CE1 4.42Å; H142-F167 AromaticContact CD2-CD1 3.96Å; H142-F167 AromaticContact CD2-CE1 3.59Å; H142-F167 AromaticContact CD2-CZ 3.64Å; H142-F167 AromaticContact NE2-CE2 3.87Å; H142-F167 AromaticContact NE2-CZ 3.94Å; F167-L169 PolarHBondContact O-N 2.87Å; F167-L169 VanDerWaalsContact O-N 3.11Å; F167-A170 HydrophobicContact CB-CB 4.13Å; F167-A170 HydrophobicContact CD1-CB 3.79Å; F167-A170 HydrophobicContact CG-CB 4.42Å; F167-A170 VanDerWaalsContact O-CB 3.28Å; F167-A170 WeakPolarHBondContact O-CB 3.37Å; F167-A170 PolarHBondContact O-N 2.94Å
168G91.4Very high91.7Very high29 Ų2958.5 Ų58.530%0.29933%0.331SS..G310 helixtrans-62.5-19.3-175.300000115.7D166D166-G168 PolarHBondContact O-N 2.96Å; D166-G168 PolarHBondContact OD1-N 2.78Å
169L92.9Very high92Very high53 Ų5352.6 Ų52.628%0.27730%0.298SS..G310 helixtrans-104.7-4.1172.3-65.1-173.5000114.1F143 D144 F167 F183F143-L169 HydrophobicContact CB-CB 4.42Å; D144-L169 HydrophobicContact CB-CB 4.24Å; D144-L169 HydrophobicContact CB-CD1 4.01Å; D144-L169 HydrophobicContact CB-CG 4.42Å; F167-L169 PolarHBondContact O-N 2.87Å; F167-L169 VanDerWaalsContact O-N 3.11Å; L169-F183 HydrophobicContact CD1-CB 4Å; L169-F183 HydrophobicContact CD1-CG 4.35Å; L169-F183 HydrophobicContact CD2-CB 4.21Å
170A95.7Very high92.1Very high1 Ų152.1 Ų52.11%0.00829%0.292CS..  trans-62.9150.7-174.200000112.6R68 I72 A141 F167R68-A170 WeakPolarHBondContact CD-O 3.46Å; I72-A170 HydrophobicContact CD1-CB 3.83Å; I72-A170 HydrophobicContact CG2-CB 4.26Å; A141-A170 VanDerWaalsContact O-CA 3.29Å; A141-A170 WeakPolarHBondContact O-CA 3.24Å; A141-A170 WeakPolarHBondContact O-CB 3.39Å; F167-A170 HydrophobicContact CB-CB 4.13Å; F167-A170 HydrophobicContact CD1-CB 3.79Å; F167-A170 HydrophobicContact CG-CB 4.42Å; F167-A170 VanDerWaalsContact O-CB 3.28Å; F167-A170 WeakPolarHBondContact O-CB 3.37Å; F167-A170 PolarHBondContact O-N 2.94Å
171H95.8Very high91.8Very high45 Ų4555.6 Ų55.621%0.20831%0.311CS..EExtended strand (participates in β ladder)trans-145.9145-179.7-145.479.3000112.7R68 I140 A141 F143 I173 F179R68-H171 WeakPolarHBondContact CD-ND1 3.41Å; I140-H171 WeakPolarHBondContact CA-O 3.46Å; A141-H171 PolarHBondContact N-O 2.8Å; A141-H171 PolarHBondContact O-N 3.02Å; F143-H171 HydrophobicContact CD2-CB 4.13Å; F143-H171 HydrophobicContact CE2-CB 3.77Å; H171-I173 HydrophobicContact CB-CD1 4.43Å; H171-I173 PolarHBondContact O-N 3.05Å; H171-F179 HydrophobicContact CB-CE1 4.1Å; H171-F179 HydrophobicContact CB-CZ 4.15Å; H171-F179 AromaticContact CD2-CE2 3.93Å; H171-F179 AromaticContact CD2-CZ 4Å; H171-F179 AromaticContact CE1-CE2 3.75Å; H171-F179 AromaticContact CG-CZ 3.7Å; H171-F179 AromaticContact ND1-CE2 3.91Å; H171-F179 AromaticContact ND1-CZ 3.77Å; H171-F179 AromaticContact NE2-CD2 3.98Å; H171-F179 AromaticContact NE2-CE2 3.78Å
172K95.8Very high91.4Very high74 Ų7455.3 Ų55.332%0.32232%0.317SS..EExtended strand (participates in β ladder)trans-88.1102.6173.3-155.1171.5-159.1175.30109.8E75 K138 G139 I140 K174E75-K172 IonicContact OE1-NZ 3.59Å; E75-K172 PolarHBondContact OE1-NZ 2.93Å; E75-K172 IonicContact OE2-NZ 3.43Å; E75-K172 PolarHBondContact OE2-NZ 3.49Å; K138-K172 VanDerWaalsContact O-CE 3.31Å; K138-K172 WeakPolarHBondContact O-CE 3.47Å; G139-K172 CarbonylContact O-C 3.42Å; G139-K172 WeakPolarHBondContact O-CA 3.4Å; I140-K172 HydrophobicContact CG1-CG 4.21Å; K172-K174 PolarHBondContact O-N 2.87Å
173I94.1Very high90.8Very high39 Ų3956.7 Ų56.720%0.232%0.323CS..PPolyproline II helixtrans-69.8117.5179.3-50.4-53.5000108.7G139 A141 F143 H171 F179 L201G139-I173 PolarHBondContact O-N 3.22Å; A141-I173 HydrophobicContact CB-CD1 4.03Å; A141-I173 HydrophobicContact CB-CG1 3.89Å; F143-I173 HydrophobicContact CE2-CD1 3.86Å; F143-I173 HydrophobicContact CZ-CD1 3.77Å; H171-I173 HydrophobicContact CB-CD1 4.43Å; H171-I173 PolarHBondContact O-N 3.05Å; I173-F179 HydrophobicContact CD1-CD1 4.34Å; I173-L201 HydrophobicContact CB-CD2 4.32Å; I173-L201 HydrophobicContact CG1-CD2 3.82Å; I173-L201 HydrophobicContact CG1-CG 4.41Å
174K88.4Confident90Very high144 Ų14457.5 Ų57.563%0.62633%0.334SS*.PPolyproline II helixtrans-100.4127.7178-65.8179.7-176.3177.10109.2K172 G176 A177K172-K174 PolarHBondContact O-N 2.87Å; K174-G176 PolarHBondContact O-N 3.49Å; K174-A177 HydrophobicContact CB-CB 3.95Å; K174-A177 WeakPolarHBondContact O-CB 3.46Å; K174-A177 PolarHBondContact O-N 2.98Å
175P81.3Confident89.3Confident137 Ų13759.7 Ų59.789%0.8935%0.348SS*.THydrogen-bonded Turntrans-52.1128.9175.5-28.335.7000111.8A177P175-A177 VanDerWaalsContact C-N 3.3Å; P175-A177 PolarHBondContact O-N 3.39Å
176G77.2Confident88.8Confident86 Ų8659.6 Ų59.689%0.88735%0.35SS*.THydrogen-bonded Turntrans77.70.2-178.700000116.2K174K174-G176 PolarHBondContact O-N 3.49Å
177A81.8Confident88.7Confident46 Ų4658.1 Ų58.138%0.3834%0.341SS..  trans-84.3130.9171.500000111K174 P175 F179 Q198K174-A177 HydrophobicContact CB-CB 3.95Å; K174-A177 WeakPolarHBondContact O-CB 3.46Å; K174-A177 PolarHBondContact O-N 2.98Å; P175-A177 VanDerWaalsContact C-N 3.3Å; P175-A177 PolarHBondContact O-N 3.39Å; A177-F179 PolarHBondContact O-N 2.81Å; A177-Q198 PolarHBondContact O-NE2 2.84Å
178D84.7Confident88.6Confident106 Ų10658.5 Ų58.557%0.56734%0.342SS*.  trans-82.4103.8171.8-168.518.9000110.2K180 Q198D178-K180 IonicContact OD1-NZ 2.64Å; D178-K180 PolarHBondContact OD1-NZ 2.83Å; D178-K180 IonicContact OD2-NZ 2.72Å; D178-K180 PolarHBondContact OD2-NZ 3.29Å; D178-Q198 WeakPolarHBondContact OD1-CG 3.49Å
179F91.1Very high88.6Confident41 Ų4157.5 Ų57.518%0.1833%0.331CS..  trans-110.5115.2175.8-176.9-116.2000109.2F143 H171 I173 A177 F183 L199F143-F179 HydrophobicContact CD2-CE1 4.37Å; F143-F179 HydrophobicContact CE2-CD1 4.15Å; F143-F179 AromaticContact CE2-CE1 3.55Å; F143-F179 HydrophobicContact CE2-CE1 3.55Å; F143-F179 HydrophobicContact CZ-CD1 4.2Å; F143-F179 AromaticContact CZ-CE1 3.96Å; F143-F179 HydrophobicContact CZ-CE1 3.96Å; H171-F179 HydrophobicContact CB-CE1 4.1Å; H171-F179 HydrophobicContact CB-CZ 4.15Å; H171-F179 AromaticContact CD2-CE2 3.93Å; H171-F179 AromaticContact CD2-CZ 4Å; H171-F179 AromaticContact CE1-CE2 3.75Å; H171-F179 AromaticContact CG-CZ 3.7Å; H171-F179 AromaticContact ND1-CE2 3.91Å; H171-F179 AromaticContact ND1-CZ 3.77Å; H171-F179 AromaticContact NE2-CD2 3.98Å; H171-F179 AromaticContact NE2-CE2 3.78Å; I173-F179 HydrophobicContact CD1-CD1 4.34Å; A177-F179 PolarHBondContact O-N 2.81Å; F179-F183 HydrophobicContact CE1-CE1 4.06Å; F179-F183 HydrophobicContact CE1-CZ 4.1Å; F179-F183 AromaticContact CZ-CE1 3.99Å; F179-F183 HydrophobicContact CZ-CE1 3.99Å; F179-F183 HydrophobicContact CZ-CZ 4.49Å; F179-L199 HydrophobicContact CD1-CB 4Å; F179-L199 HydrophobicContact CD1-CD1 4.39Å; F179-L199 HydrophobicContact CE1-CD1 4.31Å; F179-L199 PolarHBondContact O-N 2.85Å
180K92Very high88.8Confident69 Ų6955 Ų5530%0.332%0.317SS..  trans-131.3131.2179.7-63.6-173.3159.668.40109.7D178 Y196D178-K180 IonicContact OD1-NZ 2.64Å; D178-K180 PolarHBondContact OD1-NZ 2.83Å; D178-K180 IonicContact OD2-NZ 2.72Å; D178-K180 PolarHBondContact OD2-NZ 3.29Å; K180-Y196 HydrophobicContact CB-CD1 4.46Å; K180-Y196 HydrophobicContact CB-CD2 4.34Å; K180-Y196 HydrophobicContact CB-CE1 4.09Å; K180-Y196 HydrophobicContact CB-CE2 3.99Å; K180-Y196 HydrophobicContact CD-CD1 4.2Å; K180-Y196 HydrophobicContact CD-CE1 4.14Å; K180-Y196 WeakPolarHBondContact CD-O 3.41Å; K180-Y196 WeakPolarHBondContact CE-O 3.44Å
181N89.6Confident88.9Confident73 Ų7355 Ų5539%0.3932%0.318SS..  trans-160.8167.2177.4-154.8-6.1000110.9F183 L199N181-F183 HydrophobicContact CB-CD1 3.79Å; N181-F183 HydrophobicContact CB-CE1 3.63Å; N181-F183 HydrophobicContact CB-CZ 4.41Å; N181-F183 WeakPolarHBondContact ND2-CD1 3.32Å; N181-L199 HydrophobicContact CB-CD1 4.42Å
182I88.4Confident88.9Confident111 Ų11153 Ų5357%0.56931%0.308SS*.  trans-124.9107.8172-49.3-176.5000108.5Y196I182-Y196 HydrophobicContact CD1-CD2 4.08Å; I182-Y196 HydrophobicContact CG1-CD2 3.68Å; I182-Y196 HydrophobicContact CG1-CE2 4.27Å
183F86.1Confident88.8Confident30 Ų3049.7 Ų49.713%0.13229%0.294CS..  trans-146.2-176.4-177.848.4-137.1000111F143 L169 F179 N181 V189 I193 L199F143-F183 HydrophobicContact CB-CD2 4.28Å; F143-F183 HydrophobicContact CB-CE2 3.58Å; F143-F183 HydrophobicContact CB-CZ 3.87Å; F143-F183 AromaticContact CD1-CE2 3.7Å; F143-F183 HydrophobicContact CD1-CE2 3.7Å; F143-F183 AromaticContact CD1-CZ 3.81Å; F143-F183 HydrophobicContact CD1-CZ 3.81Å; F143-F183 HydrophobicContact CD2-CE1 4.39Å; F143-F183 HydrophobicContact CD2-CE2 4.18Å; F143-F183 AromaticContact CD2-CZ 3.61Å; F143-F183 HydrophobicContact CD2-CZ 3.61Å; F143-F183 HydrophobicContact CE1-CE2 4.4Å; F143-F183 HydrophobicContact CE1-CZ 4.2Å; F143-F183 HydrophobicContact CE2-CZ 4.01Å; F143-F183 AromaticContact CG-CE2 3.58Å; F143-F183 HydrophobicContact CG-CE2 3.58Å; F143-F183 AromaticContact CG-CZ 3.5Å; F143-F183 HydrophobicContact CG-CZ 3.5Å; F143-F183 VanDerWaalsContact CG-CZ 3.5Å; F143-F183 HydrophobicContact CZ-CZ 4.29Å; L169-F183 HydrophobicContact CD1-CB 4Å; L169-F183 HydrophobicContact CD1-CG 4.35Å; L169-F183 HydrophobicContact CD2-CB 4.21Å; F179-F183 HydrophobicContact CE1-CE1 4.06Å; F179-F183 HydrophobicContact CE1-CZ 4.1Å; F179-F183 AromaticContact CZ-CE1 3.99Å; F179-F183 HydrophobicContact CZ-CE1 3.99Å; F179-F183 HydrophobicContact CZ-CZ 4.49Å; N181-F183 HydrophobicContact CB-CD1 3.79Å; N181-F183 HydrophobicContact CB-CE1 3.63Å; N181-F183 HydrophobicContact CB-CZ 4.41Å; N181-F183 WeakPolarHBondContact ND2-CD1 3.32Å; F183-V189 WeakPolarHBondContact O-CG1 3.49Å; F183-I193 HydrophobicContact CD2-CD1 4.45Å; F183-I193 HydrophobicContact CD2-CG2 4.42Å; F183-I193 HydrophobicContact CE2-CD1 3.98Å; F183-I193 HydrophobicContact CE2-CG1 4.49Å; F183-L199 HydrophobicContact CE1-CD1 4.39Å; F183-L199 HydrophobicContact CE2-CD1 4.12Å; F183-L199 HydrophobicContact CZ-CD1 3.66Å
184G80.6Confident88.9Confident27 Ų2749.5 Ų49.528%0.27829%0.294SS..SBendtrans80.5174.6177.300000115.1
185T83.8Confident89.1Confident47 Ų4745.6 Ų45.629%0.28828%0.281SS..  trans-85.1127.5179.4-67.30000110.8E187 F188 V189T185-E187 VanDerWaalsContact C-N 3.29Å; T185-E187 PolarHBondContact O-N 2.74Å; T185-F188 HydrophobicContact CG2-CD2 3.72Å; T185-F188 HydrophobicContact CG2-CE2 4.01Å; T185-F188 PolarHBondContact O-N 2.94Å; T185-V189 PolarHBondContact O-N 3.06Å
186P86.1Confident89.7Confident34 Ų3445 Ų4522%0.22126%0.262CS..THydrogen-bonded Turntrans-56.6-21.4-166.3-31.236.7000119.1K227 T230 L231P186-K227 HydrophobicContact CB-CG 4.28Å; P186-K227 HydrophobicContact CG-CD 3.87Å; P186-K227 HydrophobicContact CG-CG 4.1Å; P186-T230 HydrophobicContact CB-CG2 4.26Å; P186-T230 WeakPolarHBondContact O-CG2 3.3Å; P186-L231 HydrophobicContact CB-CD2 4.15Å
187E90.6Very high90.5Very high28 Ų2845.4 Ų45.413%0.13124%0.24CC..THydrogen-bonded Turntrans-86.3-13176.972.7-179.4111.800113.7T185 S220 L223 T230 R308T185-E187 VanDerWaalsContact C-N 3.29Å; T185-E187 PolarHBondContact O-N 2.74Å; E187-S220 WeakPolarHBondContact OE2-CB 3.44Å; E187-S220 PolarHBondContact OE2-OG 2.93Å; E187-L223 HydrophobicContact CB-CB 4.38Å; E187-L223 HydrophobicContact CB-CD1 4.26Å; E187-T230 HydrophobicContact CB-CG2 4.16Å; E187-R308 IonicContact OE1-NH1 2.9Å; E187-R308 IonicContact OE2-CZ 3.17Å; E187-R308 IonicContact OE2-NH1 3.18Å; E187-R308 PolarHBondContact OE2-NH1 3.31Å
188F92.4Very high91.1Very high8 Ų848.3 Ų48.34%0.03525%0.246CC..THydrogen-bonded Turntrans-109.1-12.7-176.2-59.4-76.6000114.2K146 P147 T185 S207 V210 I214K146-F188 HydrophobicContact CB-CD1 4.19Å; K146-F188 HydrophobicContact CB-CD2 3.77Å; K146-F188 HydrophobicContact CB-CE1 4.35Å; K146-F188 HydrophobicContact CB-CE2 3.94Å; K146-F188 HydrophobicContact CB-CG 3.92Å; K146-F188 HydrophobicContact CB-CZ 4.25Å; P147-F188 HydrophobicContact CG-CE1 3.93Å; P147-F188 HydrophobicContact CG-CZ 3.84Å; T185-F188 HydrophobicContact CG2-CD2 3.72Å; T185-F188 HydrophobicContact CG2-CE2 4.01Å; T185-F188 PolarHBondContact O-N 2.94Å; F188-S207 PolarHBondContact O-OG 3.01Å; F188-V210 HydrophobicContact CD1-CB 4.2Å; F188-V210 HydrophobicContact CD1-CG1 3.48Å; F188-V210 VanDerWaalsContact CD1-CG1 3.48Å; F188-V210 HydrophobicContact CE1-CG1 3.77Å; F188-V210 HydrophobicContact CG-CG1 4.43Å; F188-I214 HydrophobicContact CD1-CD1 4.49Å; F188-I214 HydrophobicContact CE1-CD1 3.46Å; F188-I214 VanDerWaalsContact CE1-CD1 3.46Å; F188-I214 HydrophobicContact CZ-CD1 3.96Å
189V92.8Very high91.5Very high9 Ų943.5 Ų43.56%0.05522%0.22CC..  trans-74.2145.3-178.5-65.90000111.7F183 T185 I193 V194 W206 L231 V234F183-V189 WeakPolarHBondContact O-CG1 3.49Å; T185-V189 PolarHBondContact O-N 3.06Å; V189-I193 HydrophobicContact CB-CB 4.28Å; V189-I193 HydrophobicContact CB-CD1 4.12Å; V189-I193 HydrophobicContact CB-CG2 4.3Å; V189-I193 HydrophobicContact CG1-CD1 4.32Å; V189-I193 HydrophobicContact CG1-CG2 4.36Å; V189-V194 HydrophobicContact CG2-CG2 3.86Å; V189-W206 PolarHBondContact O-NE1 2.65Å; V189-L231 HydrophobicContact CG2-CD2 4.29Å; V189-V234 WeakPolarHBondContact O-CG1 3.49Å
190A96.4Very high91.8Very high0 Ų041.9 Ų41.90%022%0.215CC..  trans-79.1156.1177.900000112.6E192 I193 V194 A203 W206A190-E192 HydrophobicContact CB-CG 4.27Å; A190-E192 VanDerWaalsContact CB-OE1 3.27Å; A190-E192 WeakPolarHBondContact CB-OE1 3.33Å; A190-E192 WeakPolarHBondContact CB-OE2 3.41Å; A190-E192 PolarHBondContact O-N 2.8Å; A190-I193 HydrophobicContact CB-CD1 4.48Å; A190-I193 WeakPolarHBondContact O-CB 3.46Å; A190-I193 PolarHBondContact O-N 2.98Å; A190-V194 PolarHBondContact O-N 3.3Å; A190-A203 HydrophobicContact CB-CB 4.14Å; A190-W206 VanDerWaalsContact CA-CD1 3.44Å; A190-W206 HydrophobicContact CB-CB 3.74Å; A190-W206 HydrophobicContact CB-CD2 4.26Å; A190-W206 HydrophobicContact CB-CG 3.67Å
191P97Very high92Very high2 Ų240.4 Ų40.41%0.01321%0.21CC..Hα-helixtrans-55.7-36.3-177.2-25.134.4000113.5I193 V194 N195 W206 V234 V237 K263P191-I193 VanDerWaalsContact C-N 3.28Å; P191-I193 PolarHBondContact O-N 2.6Å; P191-V194 PolarHBondContact O-N 3Å; P191-V194 VanDerWaalsContact O-N 3.08Å; P191-N195 WeakPolarHBondContact O-CB 3.44Å; P191-N195 VanDerWaalsContact O-CG 3.3Å; P191-N195 PolarHBondContact O-N 3.09Å; P191-W206 HydrophobicContact CG-CE3 4.15Å; P191-W206 HydrophobicContact CG-CH2 3.55Å; P191-W206 HydrophobicContact CG-CZ2 3.94Å; P191-W206 HydrophobicContact CG-CZ3 3.67Å; P191-V234 HydrophobicContact CG-CG1 4.19Å; P191-V237 HydrophobicContact CG-CG2 4.11Å; P191-K263 HydrophobicContact CB-CG 4.43Å
192E96.4Very high92.4Very high3 Ų340.5 Ų40.51%0.01421%0.208CC..Hα-helixtrans-61.6-31.7176.860.3-89-15800113.4A190 Y196 E197 L199 T265 R268A190-E192 HydrophobicContact CB-CG 4.27Å; A190-E192 VanDerWaalsContact CB-OE1 3.27Å; A190-E192 WeakPolarHBondContact CB-OE1 3.33Å; A190-E192 WeakPolarHBondContact CB-OE2 3.41Å; A190-E192 PolarHBondContact O-N 2.8Å; E192-Y196 PolarHBondContact O-N 3.5Å; E192-Y196 VanDerWaalsContact O-N 3.14Å; E192-E197 HydrophobicContact CB-CB 3.86Å; E192-E197 PolarHBondContact O-N 3.44Å; E192-L199 HydrophobicContact CB-CD2 4.11Å; E192-L199 HydrophobicContact CG-CD2 3.67Å; E192-T265 HydrophobicContact CG-CG2 4.39Å; E192-R268 IonicContact OE1-CZ 3.91Å; E192-R268 IonicContact OE1-NH1 2.64Å; E192-R268 PolarHBondContact OE1-NH1 3.26Å; E192-R268 IonicContact OE1-NH2 3.69Å; E192-R268 IonicContact OE2-CZ 2.82Å; E192-R268 IonicContact OE2-NH1 2.86Å; E192-R268 PolarHBondContact OE2-NH1 2.67Å; E192-R268 IonicContact OE2-NH2 3.29Å; E192-R268 PolarHBondContact OE2-NH2 3.17Å
193I94.9Very high92.8Very high3 Ų335.3 Ų35.32%0.01518%0.181CC..Hα-helixtrans-71.2-36.8174.5-58.1173.1000110.2F183 V189 A190 P191 L199 A203F183-I193 HydrophobicContact CD2-CD1 4.45Å; F183-I193 HydrophobicContact CD2-CG2 4.42Å; F183-I193 HydrophobicContact CE2-CD1 3.98Å; F183-I193 HydrophobicContact CE2-CG1 4.49Å; V189-I193 HydrophobicContact CB-CB 4.28Å; V189-I193 HydrophobicContact CB-CD1 4.12Å; V189-I193 HydrophobicContact CB-CG2 4.3Å; V189-I193 HydrophobicContact CG1-CD1 4.32Å; V189-I193 HydrophobicContact CG1-CG2 4.36Å; A190-I193 HydrophobicContact CB-CD1 4.48Å; A190-I193 WeakPolarHBondContact O-CB 3.46Å; A190-I193 PolarHBondContact O-N 2.98Å; P191-I193 VanDerWaalsContact C-N 3.28Å; P191-I193 PolarHBondContact O-N 2.6Å; I193-L199 HydrophobicContact CB-CD2 4.33Å; I193-L199 HydrophobicContact CG1-CD1 4.14Å; I193-L199 HydrophobicContact CG1-CD2 3.59Å; I193-A203 HydrophobicContact CD1-CB 4.27Å
194V94.2Very high93.4Very high35 Ų3533.9 Ų33.921%0.21218%0.175CC..Hα-helixtrans-73-39.8179.5-172.30000111.4V189 A190 P191 Y196 L231 V234 S235V189-V194 HydrophobicContact CG2-CG2 3.86Å; A190-V194 PolarHBondContact O-N 3.3Å; P191-V194 PolarHBondContact O-N 3Å; P191-V194 VanDerWaalsContact O-N 3.08Å; V194-Y196 VanDerWaalsContact C-N 3.32Å; V194-Y196 PolarHBondContact O-N 3.14Å; V194-L231 HydrophobicContact CB-CD2 4.48Å; V194-L231 HydrophobicContact CG1-CB 4.02Å; V194-L231 HydrophobicContact CG1-CD2 3.96Å; V194-L231 HydrophobicContact CG1-CG 4.44Å; V194-L231 HydrophobicContact CG2-CD2 3.7Å; V194-V234 HydrophobicContact CG2-CB 4.4Å; V194-V234 HydrophobicContact CG2-CG1 3.69Å; V194-S235 VanDerWaalsContact CG1-OG 3.31Å; V194-S235 WeakPolarHBondContact CG1-OG 3.47Å
195N93.1Very high94.3Very high63 Ų6332.7 Ų32.734%0.33716%0.163SC..Hα-helixtrans-81.4-6.9-179.4-64.7-13.1000114P191 E197P191-N195 WeakPolarHBondContact O-CB 3.44Å; P191-N195 VanDerWaalsContact O-CG 3.3Å; P191-N195 PolarHBondContact O-N 3.09Å; N195-E197 VanDerWaalsContact C-N 3.31Å; N195-E197 HydrophobicContact CB-CG 3.81Å; N195-E197 WeakPolarHBondContact CB-OE1 3.22Å; N195-E197 PolarHBondContact ND2-OE1 3.23Å
196Y94.1Very high95Very high125 Ų12530.5 Ų30.549%0.4915%0.149SC..THydrogen-bonded Turntrans60.437.9-172.6-159.4-112.3000113.4K180 I182 E192 V194K180-Y196 HydrophobicContact CB-CD1 4.46Å; K180-Y196 HydrophobicContact CB-CD2 4.34Å; K180-Y196 HydrophobicContact CB-CE1 4.09Å; K180-Y196 HydrophobicContact CB-CE2 3.99Å; K180-Y196 HydrophobicContact CD-CD1 4.2Å; K180-Y196 HydrophobicContact CD-CE1 4.14Å; K180-Y196 WeakPolarHBondContact CD-O 3.41Å; K180-Y196 WeakPolarHBondContact CE-O 3.44Å; I182-Y196 HydrophobicContact CD1-CD2 4.08Å; I182-Y196 HydrophobicContact CG1-CD2 3.68Å; I182-Y196 HydrophobicContact CG1-CE2 4.27Å; E192-Y196 PolarHBondContact O-N 3.5Å; E192-Y196 VanDerWaalsContact O-N 3.14Å; V194-Y196 VanDerWaalsContact C-N 3.32Å; V194-Y196 PolarHBondContact O-N 3.14Å
197E94.2Very high95.6Very high94 Ų9429.1 Ų29.144%0.43914%0.14SC..  trans-82.7176.4173.2-67.2173.1-138.900111E192 N195E192-E197 HydrophobicContact CB-CB 3.86Å; E192-E197 PolarHBondContact O-N 3.44Å; N195-E197 VanDerWaalsContact C-N 3.31Å; N195-E197 HydrophobicContact CB-CG 3.81Å; N195-E197 WeakPolarHBondContact CB-OE1 3.22Å; N195-E197 PolarHBondContact ND2-OE1 3.23Å
198Q93.5Very high96Very high107 Ų10727.8 Ų27.850%0.513%0.134SC..  trans-70.9130180-174.11769.800110.7A177 D178A177-Q198 PolarHBondContact O-NE2 2.84Å; D178-Q198 WeakPolarHBondContact OD1-CG 3.49Å
199L95Very high96.3Very high5 Ų527.4 Ų27.43%0.02613%0.132CC..  trans-98.9142.2-175.6-51.9-175.5000111.9F143 F179 N181 F183 E192 I193F143-L199 HydrophobicContact CE1-CB 4.05Å; F143-L199 HydrophobicContact CE1-CD1 4.46Å; F143-L199 HydrophobicContact CZ-CB 3.91Å; F179-L199 HydrophobicContact CD1-CB 4Å; F179-L199 HydrophobicContact CD1-CD1 4.39Å; F179-L199 HydrophobicContact CE1-CD1 4.31Å; F179-L199 PolarHBondContact O-N 2.85Å; N181-L199 HydrophobicContact CB-CD1 4.42Å; F183-L199 HydrophobicContact CE1-CD1 4.39Å; F183-L199 HydrophobicContact CE2-CD1 4.12Å; F183-L199 HydrophobicContact CZ-CD1 3.66Å; E192-L199 HydrophobicContact CB-CD2 4.11Å; E192-L199 HydrophobicContact CG-CD2 3.67Å; I193-L199 HydrophobicContact CB-CD2 4.33Å; I193-L199 HydrophobicContact CG1-CD1 4.14Å; I193-L199 HydrophobicContact CG1-CD2 3.59Å
200G95.5Very high96.5Very high6 Ų627 Ų276%0.06213%0.13CC..  trans-146.7-157.2176.900000112.6F143 E202F143-G200 WeakPolarHBondContact CE1-O 3.31Å; G200-E202 WeakPolarHBondContact CA-OE2 3.27Å; G200-E202 PolarHBondContact O-N 3.08Å
201L97.2Very high96.6Very high39 Ų3927 Ų2720%0.20413%0.13CC..THydrogen-bonded Turntrans-70.1-20-178.9-56.8178.4000112.2H136 A141 I173 A203 D204H136-L201 HydrophobicContact CB-CD1 4.07Å; H136-L201 PolarHBondContact CE1-O 2.95Å; A141-L201 HydrophobicContact CB-CD2 4.1Å; I173-L201 HydrophobicContact CB-CD2 4.32Å; I173-L201 HydrophobicContact CG1-CD2 3.82Å; I173-L201 HydrophobicContact CG1-CG 4.41Å; L201-A203 PolarHBondContact O-N 3.37Å; L201-D204 PolarHBondContact O-N 3.15Å
202E97.6Very high96.7Very high75 Ų7526.9 Ų26.935%0.3513%0.129SC..Hα-helixtrans-66.8-24.3-175.5-54.674.5-161.300112.1G200 M205 W206 T265 R268G200-E202 WeakPolarHBondContact CA-OE2 3.27Å; G200-E202 PolarHBondContact O-N 3.08Å; E202-M205 WeakPolarHBondContact O-CB 2.99Å; E202-M205 PolarHBondContact O-N 3.49Å; E202-W206 PolarHBondContact O-N 2.99Å; E202-T265 HydrophobicContact CB-CG2 4.25Å; E202-R268 VanDerWaalsContact C-NH1 3.31Å; E202-R268 WeakPolarHBondContact O-CD 3.47Å; E202-R268 PolarHBondContact O-NH1 3.16Å
203A97.6Very high96.7Very high1 Ų127 Ų271%0.00813%0.129CC..Hα-helixtrans-66.2-38.7177.100000112.2F143 A190 I193 L201 M205 W206 S207F143-A203 HydrophobicContact CD1-CB 3.94Å; F143-A203 HydrophobicContact CE1-CB 3.75Å; A190-A203 HydrophobicContact CB-CB 4.14Å; I193-A203 HydrophobicContact CD1-CB 4.27Å; L201-A203 PolarHBondContact O-N 3.37Å; A203-M205 VanDerWaalsContact C-N 3.25Å; A203-M205 PolarHBondContact O-N 2.82Å; A203-W206 WeakPolarHBondContact O-CB 3.34Å; A203-W206 PolarHBondContact O-N 3.35Å; A203-S207 PolarHBondContact O-N 2.88Å; A203-S207 PolarHBondContact O-OG 3.38Å
204D98.4Very high96.8Very high0 Ų027 Ų270%013%0.129CC..Hα-helixtrans-61.9-36.5174.9-71.2-24.5000111.1V132 H136 A141 H142 F143 L145 L201 S207 I208V132-D204 HydrophobicContact CG1-CB 4.31Å; H136-D204 IonicContact CD2-OD2 3.48Å; H136-D204 IonicContact CE1-OD2 2.75Å; H136-D204 IonicContact NE2-OD2 3.73Å; H136-D204 PolarHBondContact NE2-OD2 3.12Å; A141-D204 VanDerWaalsContact CA-OD2 3.31Å; A141-D204 WeakPolarHBondContact CA-OD2 3.41Å; H142-D204 PolarHBondContact N-OD1 2.97Å; H142-D204 VanDerWaalsContact N-OD1 3.16Å; H142-D204 PolarHBondContact N-OD2 2.75Å; F143-D204 PolarHBondContact N-OD1 3.16Å; L145-D204 HydrophobicContact CD1-CB 3.68Å; L201-D204 PolarHBondContact O-N 3.15Å; D204-S207 PolarHBondContact O-N 2.64Å; D204-I208 WeakPolarHBondContact O-CG1 3.13Å; D204-I208 PolarHBondContact O-N 2.77Å
205M98.8Very high96.8Very high3 Ų325.3 Ų25.32%0.01512%0.119CC..Hα-helixtrans-65.9-38.8179.4-56.9-51.9-55.900111.9L129 E202 A203 I208 G209 L260 I271 A274L129-M205 HydrophobicContact CD2-CE 4.41Å; E202-M205 WeakPolarHBondContact O-CB 2.99Å; E202-M205 PolarHBondContact O-N 3.49Å; A203-M205 VanDerWaalsContact C-N 3.25Å; A203-M205 PolarHBondContact O-N 2.82Å; M205-I208 HydrophobicContact CE-CD1 4.28Å; M205-I208 PolarHBondContact O-N 2.79Å; M205-I208 HydrophobicContact SD-CD1 4.04Å; M205-G209 PolarHBondContact O-N 3.32Å; M205-L260 HydrophobicContact CB-CD2 4Å; M205-L260 HydrophobicContact CE-CD2 3.6Å; M205-I271 HydrophobicContact CE-CB 4.22Å; M205-I271 HydrophobicContact CE-CD1 3.85Å; M205-I271 HydrophobicContact SD-CB 3.76Å; M205-I271 HydrophobicContact SD-CD1 3.77Å; M205-I271 HydrophobicContact SD-CG1 4.29Å; M205-A274 HydrophobicContact CE-CB 3.78Å
206W98.7Very high96.9Very high0 Ų022.3 Ų22.30%010%0.103CC..Hα-helixtrans-60.7-48.4171.3172.7-83.6000111.4V189 A190 P191 E202 A203 I208 G209 V210 F222 V234 V237 L261V189-W206 PolarHBondContact O-NE1 2.65Å; A190-W206 VanDerWaalsContact CA-CD1 3.44Å; A190-W206 HydrophobicContact CB-CB 3.74Å; A190-W206 HydrophobicContact CB-CD2 4.26Å; A190-W206 HydrophobicContact CB-CG 3.67Å; P191-W206 HydrophobicContact CG-CE3 4.15Å; P191-W206 HydrophobicContact CG-CH2 3.55Å; P191-W206 HydrophobicContact CG-CZ2 3.94Å; P191-W206 HydrophobicContact CG-CZ3 3.67Å; E202-W206 PolarHBondContact O-N 2.99Å; A203-W206 WeakPolarHBondContact O-CB 3.34Å; A203-W206 PolarHBondContact O-N 3.35Å; W206-I208 VanDerWaalsContact C-N 3.29Å; W206-I208 PolarHBondContact O-N 3.02Å; W206-G209 WeakPolarHBondContact O-CA 3.41Å; W206-G209 PolarHBondContact O-N 3.34Å; W206-V210 PolarHBondContact O-N 3.43Å; W206-F222 AromaticContact CE2-CE2 3.79Å; W206-F222 HydrophobicContact CH2-CE1 4.2Å; W206-F222 AromaticContact CH2-CE2 3.75Å; W206-F222 HydrophobicContact CH2-CE2 3.75Å; W206-F222 AromaticContact CH2-CZ 3.43Å; W206-F222 HydrophobicContact CH2-CZ 3.43Å; W206-F222 VanDerWaalsContact CH2-CZ 3.43Å; W206-F222 AromaticContact CZ2-CD2 3.87Å; W206-F222 HydrophobicContact CZ2-CD2 3.87Å; W206-F222 HydrophobicContact CZ2-CE1 4.22Å; W206-F222 AromaticContact CZ2-CE2 3.15Å; W206-F222 HydrophobicContact CZ2-CE2 3.15Å; W206-F222 AromaticContact CZ2-CZ 3.37Å; W206-F222 HydrophobicContact CZ2-CZ 3.37Å; W206-F222 HydrophobicContact CZ3-CZ 4.46Å; W206-V234 HydrophobicContact CZ2-CG1 4.01Å; W206-V237 HydrophobicContact CH2-CB 4.37Å; W206-V237 HydrophobicContact CH2-CG1 3.94Å; W206-V237 HydrophobicContact CH2-CG2 3.83Å; W206-V237 HydrophobicContact CZ3-CG1 4.1Å; W206-V237 HydrophobicContact CZ3-CG2 4.07Å; W206-L261 HydrophobicContact CD2-CD2 3.8Å; W206-L261 HydrophobicContact CE3-CB 4.39Å; W206-L261 HydrophobicContact CE3-CD2 3.94Å; W206-L261 HydrophobicContact CG-CD2 4.26Å; W206-L261 HydrophobicContact CZ2-CD2 4.41Å; W206-L261 HydrophobicContact CZ3-CB 4.17Å; W206-L261 HydrophobicContact CZ3-CD2 4.29Å
207S98.5Very high96.9Very high5 Ų516.3 Ų16.34%0.0358%0.08CC..Hα-helixtrans-62.1-35.3178.4-54.40000112.5L145 F188 A203 D204 G209 V210 I211L145-S207 WeakPolarHBondContact O-CB 3.47Å; F188-S207 PolarHBondContact O-OG 3.01Å; A203-S207 PolarHBondContact O-N 2.88Å; A203-S207 PolarHBondContact O-OG 3.38Å; D204-S207 PolarHBondContact O-N 2.64Å; S207-G209 VanDerWaalsContact C-N 3.33Å; S207-V210 PolarHBondContact O-N 3.16Å; S207-I211 WeakPolarHBondContact O-CB 3.35Å; S207-I211 VanDerWaalsContact O-CG1 3.26Å; S207-I211 WeakPolarHBondContact O-CG1 3.45Å; S207-I211 PolarHBondContact O-N 3.38Å
208I98.8Very high96.7Very high1 Ų111.9 Ų11.91%0.0056%0.059CC..Hα-helixtrans-62.9-38.7170.2-68.3158.6000111.4I128 L129 V132 L145 D204 M205 W206 I211 T212 L260I128-I208 HydrophobicContact CG2-CG1 4.31Å; L129-I208 HydrophobicContact CD2-CD1 4.19Å; L129-I208 HydrophobicContact CD2-CG2 4.12Å; V132-I208 HydrophobicContact CB-CD1 4.25Å; V132-I208 HydrophobicContact CG1-CD1 4.04Å; V132-I208 HydrophobicContact CG2-CD1 4.15Å; L145-I208 HydrophobicContact CD1-CD1 4.27Å; L145-I208 HydrophobicContact CD1-CG1 4.04Å; D204-I208 WeakPolarHBondContact O-CG1 3.13Å; D204-I208 PolarHBondContact O-N 2.77Å; M205-I208 HydrophobicContact CE-CD1 4.28Å; M205-I208 PolarHBondContact O-N 2.79Å; M205-I208 HydrophobicContact SD-CD1 4.04Å; W206-I208 VanDerWaalsContact C-N 3.29Å; W206-I208 PolarHBondContact O-N 3.02Å; I208-I211 PolarHBondContact O-N 3.15Å; I208-T212 WeakPolarHBondContact O-CB 3.38Å; I208-T212 PolarHBondContact O-N 3.34Å; I208-T212 PolarHBondContact O-OG1 2.68Å; I208-L260 HydrophobicContact CG2-CD1 4.21Å
209G98.7Very high96.7Very high0 Ų08.2 Ų8.20%04%0.043CC..Hα-helixtrans-58.3-47.717200000112.3M205 W206 S207 T212 Y213M205-G209 PolarHBondContact O-N 3.32Å; W206-G209 WeakPolarHBondContact O-CA 3.41Å; W206-G209 PolarHBondContact O-N 3.34Å; S207-G209 VanDerWaalsContact C-N 3.33Å; G209-T212 PolarHBondContact O-N 3.39Å; G209-Y213 PolarHBondContact O-N 2.78Å
210V98.4Very high96.7Very high0 Ų08.9 Ų8.90%05%0.048CC..Hα-helixtrans-62.2-48.2176177.70000111.6F188 W206 S207 T212 Y213 I214 P221 F222 L261F188-V210 HydrophobicContact CD1-CB 4.2Å; F188-V210 HydrophobicContact CD1-CG1 3.48Å; F188-V210 VanDerWaalsContact CD1-CG1 3.48Å; F188-V210 HydrophobicContact CE1-CG1 3.77Å; F188-V210 HydrophobicContact CG-CG1 4.43Å; W206-V210 PolarHBondContact O-N 3.43Å; S207-V210 PolarHBondContact O-N 3.16Å; V210-T212 VanDerWaalsContact C-N 3.28Å; V210-T212 PolarHBondContact O-N 3.42Å; V210-Y213 PolarHBondContact O-N 2.83Å; V210-I214 HydrophobicContact CG1-CD1 3.76Å; V210-I214 HydrophobicContact CG1-CG1 4.48Å; V210-I214 VanDerWaalsContact O-CG1 3.3Å; V210-I214 WeakPolarHBondContact O-CG1 3.47Å; V210-I214 PolarHBondContact O-N 2.9Å; V210-P221 HydrophobicContact CB-CG 4.42Å; V210-P221 HydrophobicContact CG1-CG 4.12Å; V210-P221 HydrophobicContact CG2-CG 4.14Å; V210-F222 HydrophobicContact CG2-CD2 4.25Å; V210-F222 HydrophobicContact CG2-CE2 4.03Å; V210-L261 HydrophobicContact CG2-CD2 3.86Å
211I97.9Very high96.7Very high0 Ų09.1 Ų9.10%05%0.048CC..Hα-helixtrans-57.2-43176.3-71.2165000110.7F107 I125 I128 L145 I150 S207 I208 I214 L215F107-I211 HydrophobicContact CE2-CG2 4.23Å; F107-I211 HydrophobicContact CZ-CG2 4.04Å; I125-I211 HydrophobicContact CD1-CG2 4.42Å; I128-I211 HydrophobicContact CD1-CG2 4.23Å; L145-I211 HydrophobicContact CB-CD1 4.11Å; I150-I211 HydrophobicContact CG1-CD1 4.34Å; S207-I211 WeakPolarHBondContact O-CB 3.35Å; S207-I211 VanDerWaalsContact O-CG1 3.26Å; S207-I211 WeakPolarHBondContact O-CG1 3.45Å; S207-I211 PolarHBondContact O-N 3.38Å; I208-I211 PolarHBondContact O-N 3.15Å; I211-I214 PolarHBondContact O-N 3.23Å; I211-L215 WeakPolarHBondContact O-CB 3.45Å; I211-L215 PolarHBondContact O-N 3.24Å
212T98.4Very high96.7Very high0 Ų07.3 Ų7.30%04%0.038CC..Hα-helixtrans-66.9-42.7179.3-540000111.6I125 I208 G209 V210 I214 L215 L216 F256 I257 W279I125-T212 HydrophobicContact CD1-CG2 4.43Å; I125-T212 WeakPolarHBondContact CD1-OG1 3.3Å; I125-T212 HydrophobicContact CG1-CG2 4.38Å; I208-T212 WeakPolarHBondContact O-CB 3.38Å; I208-T212 PolarHBondContact O-N 3.34Å; I208-T212 PolarHBondContact O-OG1 2.68Å; G209-T212 PolarHBondContact O-N 3.39Å; V210-T212 VanDerWaalsContact C-N 3.28Å; V210-T212 PolarHBondContact O-N 3.42Å; T212-I214 PolarHBondContact O-N 2.93Å; T212-L215 PolarHBondContact O-N 3.15Å; T212-L216 HydrophobicContact CG2-CD1 4.2Å; T212-L216 WeakPolarHBondContact O-CG 3.26Å; T212-L216 PolarHBondContact O-N 2.84Å; T212-L216 VanDerWaalsContact O-N 3.13Å; T212-F256 HydrophobicContact CG2-CD1 4.05Å; T212-F256 HydrophobicContact CG2-CE1 4.14Å; T212-I257 HydrophobicContact CG2-CD1 4.19Å; T212-I257 HydrophobicContact CG2-CG1 3.97Å; T212-W279 HydrophobicContact CG2-CH2 3.58Å; T212-W279 HydrophobicContact CG2-CZ3 3.61Å
213Y97.8Very high96.6Very high4 Ų47.8 Ų7.82%0.0164%0.043CC..Hα-helixtrans-57.6-47.9175-172.7-82.4000111.5G209 V210 L215 L216 S217 I219 P221 Y239 D240 F241 F246 I257G209-Y213 PolarHBondContact O-N 2.78Å; V210-Y213 PolarHBondContact O-N 2.83Å; Y213-L215 PolarHBondContact O-N 3.42Å; Y213-L216 PolarHBondContact O-N 2.9Å; Y213-S217 WeakPolarHBondContact O-CB 3.21Å; Y213-S217 PolarHBondContact O-N 2.77Å; Y213-S217 PolarHBondContact O-OG 3.43Å; Y213-I219 HydrophobicContact CE1-CD1 3.96Å; Y213-I219 HydrophobicContact CE1-CG1 3.85Å; Y213-P221 HydrophobicContact CD1-CB 3.85Å; Y213-P221 VanDerWaalsContact CD1-CD 3.43Å; Y213-P221 HydrophobicContact CD1-CG 3.95Å; Y213-P221 HydrophobicContact CD2-CB 4.08Å; Y213-P221 HydrophobicContact CE1-CB 3.82Å; Y213-P221 HydrophobicContact CE1-CG 4.39Å; Y213-P221 HydrophobicContact CE2-CB 4.09Å; Y213-P221 HydrophobicContact CG-CB 3.95Å; Y213-P221 HydrophobicContact CG-CG 4.01Å; Y213-Y239 HydrophobicContact CD2-CD2 4.32Å; Y213-Y239 AromaticContact CE2-CD2 3.8Å; Y213-Y239 HydrophobicContact CE2-CD2 3.8Å; Y213-Y239 HydrophobicContact CE2-CE2 4.27Å; Y213-D240 WeakPolarHBondContact CE2-O 3.37Å; Y213-D240 PolarHBondContact OH-O 3.41Å; Y213-F241 HydrophobicContact CD2-CD1 4.49Å; Y213-F241 HydrophobicContact CD2-CE1 4.12Å; Y213-F241 HydrophobicContact CE2-CD1 4.09Å; Y213-F241 HydrophobicContact CE2-CE1 4.11Å; Y213-F246 HydrophobicContact CD1-CZ 4.06Å; Y213-F246 HydrophobicContact CD2-CE1 4.38Å; Y213-F246 HydrophobicContact CD2-CE2 4.24Å; Y213-F246 AromaticContact CD2-CZ 3.58Å; Y213-F246 HydrophobicContact CD2-CZ 3.58Å; Y213-F246 AromaticContact CE1-CE2 3.96Å; Y213-F246 HydrophobicContact CE1-CE2 3.96Å; Y213-F246 AromaticContact CE1-CZ 3.92Å; Y213-F246 HydrophobicContact CE1-CZ 3.92Å; Y213-F246 HydrophobicContact CE2-CE1 4.41Å; Y213-F246 AromaticContact CE2-CE2 3.57Å; Y213-F246 HydrophobicContact CE2-CE2 3.57Å; Y213-F246 AromaticContact CE2-CZ 3.38Å; Y213-F246 HydrophobicContact CE2-CZ 3.38Å; Y213-F246 AromaticContact CG-CZ 3.94Å; Y213-F246 HydrophobicContact CG-CZ 3.94Å; Y213-F246 AromaticContact CZ-CE2 3.42Å; Y213-F246 VanDerWaalsContact CZ-CE2 3.42Å; Y213-F246 AromaticContact CZ-CZ 3.59Å; Y213-I257 HydrophobicContact CD2-CD1 4.37Å; Y213-I257 HydrophobicContact CD2-CG2 4.15Å
214I95.4Very high96.3Very high3 Ų38.3 Ų8.32%0.0155%0.048CC..Hα-helixtrans-66.9-38179.2-57.2159000111.1F107 F188 V210 I211 T212 L216 S217 G218 I219F107-I214 HydrophobicContact CD1-CG2 4.34Å; F107-I214 HydrophobicContact CE1-CB 4.17Å; F107-I214 HydrophobicContact CE1-CG2 3.78Å; F188-I214 HydrophobicContact CD1-CD1 4.49Å; F188-I214 HydrophobicContact CE1-CD1 3.46Å; F188-I214 VanDerWaalsContact CE1-CD1 3.46Å; F188-I214 HydrophobicContact CZ-CD1 3.96Å; V210-I214 HydrophobicContact CG1-CD1 3.76Å; V210-I214 HydrophobicContact CG1-CG1 4.48Å; V210-I214 VanDerWaalsContact O-CG1 3.3Å; V210-I214 WeakPolarHBondContact O-CG1 3.47Å; V210-I214 PolarHBondContact O-N 2.9Å; I211-I214 PolarHBondContact O-N 3.23Å; T212-I214 PolarHBondContact O-N 2.93Å; I214-L216 VanDerWaalsContact C-N 3.3Å; I214-L216 PolarHBondContact O-N 3.48Å; I214-S217 PolarHBondContact O-N 3.03Å; I214-G218 WeakPolarHBondContact O-CA 3.3Å; I214-G218 PolarHBondContact O-N 3.47Å; I214-I219 WeakPolarHBondContact CA-O 3.41Å; I214-I219 WeakPolarHBondContact CG1-O 3.37Å
215L95.5Very high95.9Very high0 Ų014.6 Ų14.60%08%0.078CC..Hα-helixtrans-61-39.1178.6-169.3154.5000111.9L106 F107 L110 L116 A121 I125 I211 T212 Y213 V296L106-L215 HydrophobicContact CD2-CD1 4.22Å; F107-L215 HydrophobicContact CE1-CB 4.2Å; F107-L215 HydrophobicContact CZ-CB 4.1Å; L110-L215 HydrophobicContact CD1-CD1 3.78Å; L110-L215 HydrophobicContact CD1-CD2 4.3Å; L110-L215 HydrophobicContact CD1-CG 3.72Å; L116-L215 HydrophobicContact CD2-CD2 4.33Å; A121-L215 HydrophobicContact CB-CD2 3.63Å; I125-L215 HydrophobicContact CD1-CD1 3.91Å; I125-L215 HydrophobicContact CG1-CD1 4.38Å; I211-L215 WeakPolarHBondContact O-CB 3.45Å; I211-L215 PolarHBondContact O-N 3.24Å; T212-L215 PolarHBondContact O-N 3.15Å; Y213-L215 PolarHBondContact O-N 3.42Å; L215-V296 WeakPolarHBondContact O-CG1 3.41Å
216L95.1Very high95.5Very high0 Ų018 Ų180%010%0.099CC..Hα-helixtrans-84.2-14.5-177.6-59.7179.6000114.5E118 A121 T212 Y213 I214 F246 T249 A253 I257 W279 V296E118-L216 HydrophobicContact CG-CD2 4.4Å; A121-L216 HydrophobicContact CB-CD2 4.06Å; T212-L216 HydrophobicContact CG2-CD1 4.2Å; T212-L216 WeakPolarHBondContact O-CG 3.26Å; T212-L216 PolarHBondContact O-N 2.84Å; T212-L216 VanDerWaalsContact O-N 3.13Å; Y213-L216 PolarHBondContact O-N 2.9Å; I214-L216 VanDerWaalsContact C-N 3.3Å; I214-L216 PolarHBondContact O-N 3.48Å; L216-F246 HydrophobicContact CB-CE1 4.39Å; L216-T249 HydrophobicContact CD1-CG2 4.03Å; L216-A253 HydrophobicContact CD1-CB 3.66Å; L216-I257 HydrophobicContact CD1-CD1 4.14Å; L216-W279 HydrophobicContact CD1-CH2 4.2Å; L216-W279 HydrophobicContact CD1-CZ2 3.95Å; L216-W279 HydrophobicContact CD2-CH2 4.46Å; L216-W279 HydrophobicContact CD2-CZ2 4.12Å; L216-V296 HydrophobicContact CD2-CG2 3.61Å
217S93.3Very high95.2Very high0 Ų024.5 Ų24.50%013%0.127CC..Hα-helixtrans-134.2-25.5-168.968.30000116.6Y213 I214 I219 F246Y213-S217 WeakPolarHBondContact O-CB 3.21Å; Y213-S217 PolarHBondContact O-N 2.77Å; Y213-S217 PolarHBondContact O-OG 3.43Å; I214-S217 PolarHBondContact O-N 3.03Å; S217-I219 PolarHBondContact O-N 2.92Å; S217-I219 VanDerWaalsContact OG-CG1 3.31Å; S217-I219 WeakPolarHBondContact OG-CG1 3.27Å; S217-I219 PolarHBondContact OG-N 2.8Å; S217-I219 PolarHBondContact OG-O 2.86Å; S217-F246 VanDerWaalsContact CB-CZ 3.49Å
218G91.5Very high94.9Very high0 Ų032.3 Ų32.30%016%0.163CC..SBendtrans80.2-26.6-167.900000115.7I214 R308I214-G218 WeakPolarHBondContact O-CA 3.3Å; I214-G218 PolarHBondContact O-N 3.47Å; G218-R308 PolarHBondContact O-NE 3.39Å; G218-R308 PolarHBondContact O-NH2 2.92Å
219I92.3Very high94.8Very high31 Ų3136.2 Ų36.216%0.15918%0.182CC..SBendtrans-83.7163.3178.255.5158000111.4Y213 I214 S217 F245 F246 Q304 R308Y213-I219 HydrophobicContact CE1-CD1 3.96Å; Y213-I219 HydrophobicContact CE1-CG1 3.85Å; I214-I219 WeakPolarHBondContact CA-O 3.41Å; I214-I219 WeakPolarHBondContact CG1-O 3.37Å; S217-I219 PolarHBondContact O-N 2.92Å; S217-I219 VanDerWaalsContact OG-CG1 3.31Å; S217-I219 WeakPolarHBondContact OG-CG1 3.27Å; S217-I219 PolarHBondContact OG-N 2.8Å; S217-I219 PolarHBondContact OG-O 2.86Å; I219-F245 HydrophobicContact CD1-CB 4.14Å; I219-F245 HydrophobicContact CD1-CD1 4.32Å; I219-F245 HydrophobicContact CD1-CD2 3.59Å; I219-F245 HydrophobicContact CD1-CE2 4.13Å; I219-F245 HydrophobicContact CD1-CG 3.72Å; I219-F245 HydrophobicContact CG1-CB 4.35Å; I219-F245 HydrophobicContact CG1-CD1 4.15Å; I219-F245 HydrophobicContact CG1-CD2 4.31Å; I219-F245 HydrophobicContact CG1-CG 3.98Å; I219-F245 HydrophobicContact CG2-CD1 3.94Å; I219-F245 HydrophobicContact CG2-CE1 3.68Å; I219-F245 HydrophobicContact CG2-CE2 4.34Å; I219-F245 HydrophobicContact CG2-CG 4.41Å; I219-F245 HydrophobicContact CG2-CZ 3.91Å; I219-F246 HydrophobicContact CD1-CE2 4.38Å; I219-Q304 HydrophobicContact CG2-CB 4.42Å; I219-Q304 HydrophobicContact CG2-CG 3.83Å; I219-R308 PolarHBondContact O-NH2 3.3Å
220S94.4Very high94.6Very high19 Ų1936.4 Ų36.413%0.13318%0.183CC..  trans-107.1136.9179-160.90000108.6E187 F222 R308E187-S220 WeakPolarHBondContact OE2-CB 3.44Å; E187-S220 PolarHBondContact OE2-OG 2.93Å; S220-F222 PolarHBondContact O-N 3.32Å; S220-R308 VanDerWaalsContact N-NH2 3.17Å
221P96.8Very high94.4Very high11 Ų1138.5 Ų38.57%0.07119%0.194CC..SBendtrans-66.2-27.6-173.423.9-29.2000112.7V210 Y213 Y239 L261V210-P221 HydrophobicContact CB-CG 4.42Å; V210-P221 HydrophobicContact CG1-CG 4.12Å; V210-P221 HydrophobicContact CG2-CG 4.14Å; Y213-P221 HydrophobicContact CD1-CB 3.85Å; Y213-P221 VanDerWaalsContact CD1-CD 3.43Å; Y213-P221 HydrophobicContact CD1-CG 3.95Å; Y213-P221 HydrophobicContact CD2-CB 4.08Å; Y213-P221 HydrophobicContact CE1-CB 3.82Å; Y213-P221 HydrophobicContact CE1-CG 4.39Å; Y213-P221 HydrophobicContact CE2-CB 4.09Å; Y213-P221 HydrophobicContact CG-CB 3.95Å; Y213-P221 HydrophobicContact CG-CG 4.01Å; P221-Y239 HydrophobicContact CB-CD2 4.16Å; P221-Y239 HydrophobicContact CB-CG 4.08Å; P221-Y239 VanDerWaalsContact O-CB 3.27Å; P221-Y239 WeakPolarHBondContact O-CB 3.34Å; P221-L261 HydrophobicContact CB-CD1 4.29Å; P221-L261 HydrophobicContact CG-CD1 4.28Å
222F97.1Very high94.3Very high0 Ų040.2 Ų40.20%021%0.211CC..SBendtrans-123-1.3-172.6-51.8-65.7000115.1W206 V210 S220 G224 T230 N233 V234 D238 Y239 L261W206-F222 AromaticContact CE2-CE2 3.79Å; W206-F222 HydrophobicContact CH2-CE1 4.2Å; W206-F222 AromaticContact CH2-CE2 3.75Å; W206-F222 HydrophobicContact CH2-CE2 3.75Å; W206-F222 AromaticContact CH2-CZ 3.43Å; W206-F222 HydrophobicContact CH2-CZ 3.43Å; W206-F222 VanDerWaalsContact CH2-CZ 3.43Å; W206-F222 AromaticContact CZ2-CD2 3.87Å; W206-F222 HydrophobicContact CZ2-CD2 3.87Å; W206-F222 HydrophobicContact CZ2-CE1 4.22Å; W206-F222 AromaticContact CZ2-CE2 3.15Å; W206-F222 HydrophobicContact CZ2-CE2 3.15Å; W206-F222 AromaticContact CZ2-CZ 3.37Å; W206-F222 HydrophobicContact CZ2-CZ 3.37Å; W206-F222 HydrophobicContact CZ3-CZ 4.46Å; V210-F222 HydrophobicContact CG2-CD2 4.25Å; V210-F222 HydrophobicContact CG2-CE2 4.03Å; S220-F222 PolarHBondContact O-N 3.32Å; F222-G224 PolarHBondContact O-N 3.46Å; F222-G224 VanDerWaalsContact O-N 3.1Å; F222-T230 WeakPolarHBondContact O-CA 3.41Å; F222-N233 HydrophobicContact CB-CB 4.07Å; F222-N233 HydrophobicContact CD1-CB 4.21Å; F222-N233 PolarHBondContact O-ND2 2.87Å; F222-V234 HydrophobicContact CB-CG2 3.6Å; F222-V234 HydrophobicContact CD1-CG2 4.46Å; F222-V234 HydrophobicContact CD2-CG2 3.92Å; F222-V234 HydrophobicContact CG-CG2 3.74Å; F222-D238 WeakPolarHBondContact CD1-O 3.48Å; F222-Y239 AromaticContact CE1-CD1 3.67Å; F222-Y239 HydrophobicContact CE1-CD1 3.67Å; F222-Y239 HydrophobicContact CE1-CG 4.02Å; F222-Y239 AromaticContact CZ-CD1 3.75Å; F222-Y239 HydrophobicContact CZ-CD1 3.75Å; F222-Y239 HydrophobicContact CZ-CE1 4.43Å; F222-Y239 HydrophobicContact CZ-CG 4.18Å; F222-L261 HydrophobicContact CE2-CD1 4.15Å; F222-L261 HydrophobicContact CE2-CD2 4.09Å; F222-L261 HydrophobicContact CZ-CD1 4.06Å; F222-L261 HydrophobicContact CZ-CD2 4.4Å
223L94.3Very high94.3Very high85 Ų8542.1 Ų42.145%0.44522%0.221SC..  trans-74.6103.3-171.7-17865.8000112.5E187 T230E187-L223 HydrophobicContact CB-CB 4.38Å; E187-L223 HydrophobicContact CB-CD1 4.26Å; L223-T230 HydrophobicContact CD1-CG2 4.48Å
224G92.2Very high94.3Very high12 Ų1242 Ų4212%0.12422%0.221CC..  trans-79.3173.1166.700000113.3F222 T226 E229 T230F222-G224 PolarHBondContact O-N 3.46Å; F222-G224 VanDerWaalsContact O-N 3.1Å; G224-T226 PolarHBondContact O-N 2.89Å; G224-E229 VanDerWaalsContact CA-CD 3.42Å; G224-E229 WeakPolarHBondContact CA-OE1 3.35Å; G224-T230 PolarHBondContact N-OG1 2.78Å; G224-T230 VanDerWaalsContact N-OG1 3.09Å
225E89.8Confident94.3Very high132 Ų13243.2 Ų43.262%0.61723%0.23SC*.SBendtrans-71.1-21.4171.8-73-65166.600112.3E229 K311E225-E229 VanDerWaalsContact N-CD 3.35Å; E225-E229 PolarHBondContact N-OE1 2.91Å; E225-E229 PolarHBondContact N-OE2 3.02Å; E225-K311 IonicContact OE1-NZ 3.24Å; E225-K311 PolarHBondContact OE1-NZ 3.04Å; E225-K311 IonicContact OE2-NZ 3.5Å; E225-K311 PolarHBondContact OE2-NZ 3.15Å
226T91.7Very high94.3Very high75 Ų7546.4 Ų46.446%0.4626%0.256SS..SBendtrans-113.9156.6172.274.30000113.6G224 Q228 E229 T230G224-T226 PolarHBondContact O-N 2.89Å; T226-Q228 VanDerWaalsContact C-N 3.3Å; T226-Q228 PolarHBondContact O-N 3.14Å; T226-E229 PolarHBondContact N-OE2 2.91Å; T226-E229 WeakPolarHBondContact OG1-CB 3.15Å; T226-E229 PolarHBondContact OG1-N 2.87Å; T226-E229 VanDerWaalsContact OG1-N 3.14Å; T226-E229 PolarHBondContact OG1-OE2 3.42Å; T226-T230 WeakPolarHBondContact O-CB 3.38Å; T226-T230 PolarHBondContact O-N 3.11Å; T226-T230 PolarHBondContact O-OG1 3.1Å
227K90.4Very high94.4Very high137 Ų13747.9 Ų47.960%0.59627%0.265SS*.Hα-helixtrans-63.2-35172.2176.6171.9175.4170.80112.2P186 T230 L231P186-K227 HydrophobicContact CB-CG 4.28Å; P186-K227 HydrophobicContact CG-CD 3.87Å; P186-K227 HydrophobicContact CG-CG 4.1Å; K227-T230 PolarHBondContact O-N 3.32Å; K227-L231 HydrophobicContact CD-CD1 4.5Å; K227-L231 HydrophobicContact CG-CD1 3.99Å; K227-L231 HydrophobicContact CG-CG 4.32Å; K227-L231 WeakPolarHBondContact O-CB 3.3Å; K227-L231 VanDerWaalsContact O-CG 3.28Å; K227-L231 WeakPolarHBondContact O-CG 3.46Å; K227-L231 PolarHBondContact O-N 3.34Å
228Q93.4Very high94.6Very high169 Ų16952.8 Ų52.879%0.7929%0.291SS*.Hα-helixtrans-68.9-44.3-178.4-179.3174.4-15.700111.4T226 L231 G232T226-Q228 VanDerWaalsContact C-N 3.3Å; T226-Q228 PolarHBondContact O-N 3.14Å; Q228-L231 PolarHBondContact O-N 3.43Å; Q228-G232 PolarHBondContact O-N 3.26Å
229E95.8Very high94.9Very high83 Ų8355 Ų5539%0.38830%0.3SS..Hα-helixtrans-59.3-49.7171.1-177.9-171.1171.800111.1G224 E225 T226 L231 G232 N233G224-E229 VanDerWaalsContact CA-CD 3.42Å; G224-E229 WeakPolarHBondContact CA-OE1 3.35Å; E225-E229 VanDerWaalsContact N-CD 3.35Å; E225-E229 PolarHBondContact N-OE1 2.91Å; E225-E229 PolarHBondContact N-OE2 3.02Å; T226-E229 PolarHBondContact N-OE2 2.91Å; T226-E229 WeakPolarHBondContact OG1-CB 3.15Å; T226-E229 PolarHBondContact OG1-N 2.87Å; T226-E229 VanDerWaalsContact OG1-N 3.14Å; T226-E229 PolarHBondContact OG1-OE2 3.42Å; E229-L231 VanDerWaalsContact C-N 3.33Å; E229-L231 PolarHBondContact O-N 2.84Å; E229-G232 CarbonylContact O-C 3.57Å; E229-G232 WeakPolarHBondContact O-CA 3.38Å; E229-G232 PolarHBondContact O-N 2.57Å; E229-N233 VanDerWaalsContact O-CG 3.27Å; E229-N233 PolarHBondContact O-N 2.74Å; E229-N233 PolarHBondContact O-OD1 2.85Å; E229-N233 VanDerWaalsContact O-OD1 3.06Å
230T95.6Very high95.1Very high4 Ų458.2 Ų58.23%0.02532%0.317CS..Hα-helixtrans-54.1-47.4176.3-560000112.3P186 E187 F222 L223 G224 T226 K227 G232 N233 V234P186-T230 HydrophobicContact CB-CG2 4.26Å; P186-T230 WeakPolarHBondContact O-CG2 3.3Å; E187-T230 HydrophobicContact CB-CG2 4.16Å; F222-T230 WeakPolarHBondContact O-CA 3.41Å; L223-T230 HydrophobicContact CD1-CG2 4.48Å; G224-T230 PolarHBondContact N-OG1 2.78Å; G224-T230 VanDerWaalsContact N-OG1 3.09Å; T226-T230 WeakPolarHBondContact O-CB 3.38Å; T226-T230 PolarHBondContact O-N 3.11Å; T226-T230 PolarHBondContact O-OG1 3.1Å; K227-T230 PolarHBondContact O-N 3.32Å; T230-G232 VanDerWaalsContact C-N 3.33Å; T230-G232 PolarHBondContact O-N 2.88Å; T230-N233 PolarHBondContact O-N 3.44Å; T230-V234 WeakPolarHBondContact O-CG2 3.21Å; T230-V234 PolarHBondContact O-N 3Å
231L94.3Very high95.3Very high44 Ų4459.1 Ų59.123%0.2332%0.319CS..Hα-helixtrans-69-30.6177.3-68.4175000112.6P186 V189 V194 K227 Q228 E229 S235P186-L231 HydrophobicContact CB-CD2 4.15Å; V189-L231 HydrophobicContact CG2-CD2 4.29Å; V194-L231 HydrophobicContact CB-CD2 4.48Å; V194-L231 HydrophobicContact CG1-CB 4.02Å; V194-L231 HydrophobicContact CG1-CD2 3.96Å; V194-L231 HydrophobicContact CG1-CG 4.44Å; V194-L231 HydrophobicContact CG2-CD2 3.7Å; K227-L231 HydrophobicContact CD-CD1 4.5Å; K227-L231 HydrophobicContact CG-CD1 3.99Å; K227-L231 HydrophobicContact CG-CG 4.32Å; K227-L231 WeakPolarHBondContact O-CB 3.3Å; K227-L231 VanDerWaalsContact O-CG 3.28Å; K227-L231 WeakPolarHBondContact O-CG 3.46Å; K227-L231 PolarHBondContact O-N 3.34Å; Q228-L231 PolarHBondContact O-N 3.43Å; E229-L231 VanDerWaalsContact C-N 3.33Å; E229-L231 PolarHBondContact O-N 2.84Å; L231-S235 VanDerWaalsContact O-CB 3.29Å; L231-S235 WeakPolarHBondContact O-CB 3.35Å; L231-S235 PolarHBondContact O-N 3.45Å; L231-S235 PolarHBondContact O-OG 3.38Å
232G96.3Very high95.1Very high35 Ų3561.9 Ų61.936%0.36133%0.333SS..Hα-helixtrans-62.5-49.6171.200000111.8Q228 E229 T230 V234 S235 A236Q228-G232 PolarHBondContact O-N 3.26Å; E229-G232 CarbonylContact O-C 3.57Å; E229-G232 WeakPolarHBondContact O-CA 3.38Å; E229-G232 PolarHBondContact O-N 2.57Å; T230-G232 VanDerWaalsContact C-N 3.33Å; T230-G232 PolarHBondContact O-N 2.88Å; G232-V234 PolarHBondContact O-N 3.29Å; G232-S235 PolarHBondContact O-N 3.34Å; G232-S235 VanDerWaalsContact O-N 3.1Å; G232-A236 WeakPolarHBondContact O-CB 3.28Å; G232-A236 PolarHBondContact O-N 2.89Å
233N97.4Very high94.9Very high41 Ų4167.5 Ų67.522%0.21936%0.359CS..Hα-helixtrans-60.9-46.2179-59.42.6000110.8F222 E229 T230 S235 A236 V237 D238F222-N233 HydrophobicContact CB-CB 4.07Å; F222-N233 HydrophobicContact CD1-CB 4.21Å; F222-N233 PolarHBondContact O-ND2 2.87Å; E229-N233 VanDerWaalsContact O-CG 3.27Å; E229-N233 PolarHBondContact O-N 2.74Å; E229-N233 PolarHBondContact O-OD1 2.85Å; E229-N233 VanDerWaalsContact O-OD1 3.06Å; T230-N233 PolarHBondContact O-N 3.44Å; N233-S235 PolarHBondContact O-N 2.89Å; N233-A236 PolarHBondContact O-N 3.12Å; N233-V237 WeakPolarHBondContact O-CA 3.26Å; N233-V237 PolarHBondContact O-N 3.45Å; N233-D238 HydrophobicContact CB-CB 4.48Å; N233-D238 PolarHBondContact O-N 3.46Å
234V97.2Very high94.8Very high0 Ų068 Ų680%036%0.36CS..Hα-helixtrans-56.7-47.4171.2170.70000111.5V189 P191 V194 W206 F222 T230 G232 A236 V237V189-V234 WeakPolarHBondContact O-CG1 3.49Å; P191-V234 HydrophobicContact CG-CG1 4.19Å; V194-V234 HydrophobicContact CG2-CB 4.4Å; V194-V234 HydrophobicContact CG2-CG1 3.69Å; W206-V234 HydrophobicContact CZ2-CG1 4.01Å; F222-V234 HydrophobicContact CB-CG2 3.6Å; F222-V234 HydrophobicContact CD1-CG2 4.46Å; F222-V234 HydrophobicContact CD2-CG2 3.92Å; F222-V234 HydrophobicContact CG-CG2 3.74Å; T230-V234 WeakPolarHBondContact O-CG2 3.21Å; T230-V234 PolarHBondContact O-N 3Å; G232-V234 PolarHBondContact O-N 3.29Å; V234-A236 VanDerWaalsContact C-N 3.33Å; V234-A236 PolarHBondContact O-N 2.98Å; V234-V237 PolarHBondContact O-N 3.16Å
235S95.1Very high94.7Very high30 Ų3068.2 Ų68.221%0.2136%0.357CS..Hα-helixtrans-67.2-32.7-177.1-57.50000113.1V194 L231 G232 N233 K263V194-S235 VanDerWaalsContact CG1-OG 3.31Å; V194-S235 WeakPolarHBondContact CG1-OG 3.47Å; L231-S235 VanDerWaalsContact O-CB 3.29Å; L231-S235 WeakPolarHBondContact O-CB 3.35Å; L231-S235 PolarHBondContact O-N 3.45Å; L231-S235 PolarHBondContact O-OG 3.38Å; G232-S235 PolarHBondContact O-N 3.34Å; G232-S235 VanDerWaalsContact O-N 3.1Å; N233-S235 PolarHBondContact O-N 2.89Å; S235-K263 PolarHBondContact O-NZ 3.28Å
236A96.6Very high95Very high66 Ų6661.9 Ų61.955%0.54533%0.328SS..Hα-helixtrans-79.3-24.3174.700000112.7G232 N233 V234 D238G232-A236 WeakPolarHBondContact O-CB 3.28Å; G232-A236 PolarHBondContact O-N 2.89Å; N233-A236 PolarHBondContact O-N 3.12Å; V234-A236 VanDerWaalsContact C-N 3.33Å; V234-A236 PolarHBondContact O-N 2.98Å; A236-D238 VanDerWaalsContact C-N 3.29Å; A236-D238 HydrophobicContact CB-CB 3.89Å
237V97.4Very high95Very high31 Ų3161.4 Ų61.419%0.18833%0.327CS..THydrogen-bonded Turntrans59.144.3-161.2-165.90000110.4P191 W206 N233 V234 Y239 L261 K263P191-V237 HydrophobicContact CG-CG2 4.11Å; W206-V237 HydrophobicContact CH2-CB 4.37Å; W206-V237 HydrophobicContact CH2-CG1 3.94Å; W206-V237 HydrophobicContact CH2-CG2 3.83Å; W206-V237 HydrophobicContact CZ3-CG1 4.1Å; W206-V237 HydrophobicContact CZ3-CG2 4.07Å; N233-V237 WeakPolarHBondContact O-CA 3.26Å; N233-V237 PolarHBondContact O-N 3.45Å; V234-V237 PolarHBondContact O-N 3.16Å; V237-Y239 HydrophobicContact CG1-CD1 4.1Å; V237-Y239 HydrophobicContact CG1-CE1 3.95Å; V237-Y239 PolarHBondContact O-N 2.91Å; V237-L261 VanDerWaalsContact CG1-O 3.3Å; V237-L261 WeakPolarHBondContact CG1-O 3.21Å; V237-K263 HydrophobicContact CG2-CB 3.83Å; V237-K263 HydrophobicContact CG2-CD 4.06Å; V237-K263 HydrophobicContact CG2-CG 4.03Å
238D97.3Very high95Very high104 Ų10459.2 Ų59.256%0.55632%0.322SS*.  trans-88.798.5179.9-166.514.4000109.6F222 N233 A236F222-D238 WeakPolarHBondContact CD1-O 3.48Å; N233-D238 HydrophobicContact CB-CB 4.48Å; N233-D238 PolarHBondContact O-N 3.46Å; A236-D238 VanDerWaalsContact C-N 3.29Å; A236-D238 HydrophobicContact CB-CB 3.89Å
239Y97.7Very high95.2Very high45 Ų4551.6 Ų51.618%0.17629%0.287CS..  trans-155.2157.6172.980.7-78.1000109.6Y213 P221 F222 V237 F241 I257 R258 L261Y213-Y239 HydrophobicContact CD2-CD2 4.32Å; Y213-Y239 AromaticContact CE2-CD2 3.8Å; Y213-Y239 HydrophobicContact CE2-CD2 3.8Å; Y213-Y239 HydrophobicContact CE2-CE2 4.27Å; P221-Y239 HydrophobicContact CB-CD2 4.16Å; P221-Y239 HydrophobicContact CB-CG 4.08Å; P221-Y239 VanDerWaalsContact O-CB 3.27Å; P221-Y239 WeakPolarHBondContact O-CB 3.34Å; F222-Y239 AromaticContact CE1-CD1 3.67Å; F222-Y239 HydrophobicContact CE1-CD1 3.67Å; F222-Y239 HydrophobicContact CE1-CG 4.02Å; F222-Y239 AromaticContact CZ-CD1 3.75Å; F222-Y239 HydrophobicContact CZ-CD1 3.75Å; F222-Y239 HydrophobicContact CZ-CE1 4.43Å; F222-Y239 HydrophobicContact CZ-CG 4.18Å; V237-Y239 HydrophobicContact CG1-CD1 4.1Å; V237-Y239 HydrophobicContact CG1-CE1 3.95Å; V237-Y239 PolarHBondContact O-N 2.91Å; Y239-F241 HydrophobicContact CE2-CE1 4.39Å; Y239-F241 AromaticContact CE2-CE2 3.8Å; Y239-F241 HydrophobicContact CE2-CE2 3.8Å; Y239-F241 AromaticContact CE2-CZ 3.74Å; Y239-F241 HydrophobicContact CE2-CZ 3.74Å; Y239-I257 HydrophobicContact CE2-CG2 4.31Å; Y239-R258 WeakPolarHBondContact OH-CA 3.37Å; Y239-L261 HydrophobicContact CD1-CD1 4.33Å; Y239-L261 HydrophobicContact CD2-CD1 4.22Å; Y239-L261 HydrophobicContact CE1-CB 3.79Å; Y239-L261 HydrophobicContact CE1-CD1 3.99Å; Y239-L261 HydrophobicContact CE2-CD1 3.9Å; Y239-L261 HydrophobicContact CG-CD1 4.44Å
240D97Very high95.2Very high99 Ų9948 Ų4853%0.52927%0.271SS..  trans-131.5-171.4175.272.918.1000112.6Y213 D242Y213-D240 WeakPolarHBondContact CE2-O 3.37Å; Y213-D240 PolarHBondContact OH-O 3.41Å; D240-D242 PolarHBondContact OD1-N 2.96Å
241F97Very high95.3Very high38 Ų3852.8 Ų52.817%0.16729%0.293CS..  trans-121.261.7169.9-62.9-82.9000110.2Y213 Y239 E243 F246 K254 I257 R258Y213-F241 HydrophobicContact CD2-CD1 4.49Å; Y213-F241 HydrophobicContact CD2-CE1 4.12Å; Y213-F241 HydrophobicContact CE2-CD1 4.09Å; Y213-F241 HydrophobicContact CE2-CE1 4.11Å; Y239-F241 HydrophobicContact CE2-CE1 4.39Å; Y239-F241 AromaticContact CE2-CE2 3.8Å; Y239-F241 HydrophobicContact CE2-CE2 3.8Å; Y239-F241 AromaticContact CE2-CZ 3.74Å; Y239-F241 HydrophobicContact CE2-CZ 3.74Å; F241-E243 PolarHBondContact O-N 2.89Å; F241-F246 HydrophobicContact CB-CB 4.02Å; F241-F246 HydrophobicContact CB-CD2 4.02Å; F241-F246 HydrophobicContact CB-CG 3.97Å; F241-F246 AromaticContact CD1-CD1 3.74Å; F241-F246 HydrophobicContact CD1-CD1 3.74Å; F241-F246 HydrophobicContact CD1-CD2 4.1Å; F241-F246 AromaticContact CD1-CE1 3.79Å; F241-F246 HydrophobicContact CD1-CE1 3.79Å; F241-F246 HydrophobicContact CD1-CE2 4.15Å; F241-F246 AromaticContact CD1-CG 3.9Å; F241-F246 HydrophobicContact CD1-CG 3.9Å; F241-F246 AromaticContact CD1-CZ 3.99Å; F241-F246 HydrophobicContact CD1-CZ 3.99Å; F241-F246 HydrophobicContact CE1-CE1 4.25Å; F241-F246 HydrophobicContact CG-CG 4.44Å; F241-K254 HydrophobicContact CB-CD 4.03Å; F241-K254 HydrophobicContact CD1-CB 4.25Å; F241-K254 HydrophobicContact CD1-CD 4.09Å; F241-K254 HydrophobicContact CD1-CG 3.85Å; F241-K254 HydrophobicContact CD2-CB 4.49Å; F241-K254 HydrophobicContact CD2-CD 4.37Å; F241-K254 HydrophobicContact CE1-CB 3.98Å; F241-K254 HydrophobicContact CE1-CG 4.01Å; F241-K254 HydrophobicContact CE2-CB 4.26Å; F241-K254 HydrophobicContact CG-CB 4.49Å; F241-K254 HydrophobicContact CG-CD 3.92Å; F241-K254 HydrophobicContact CG-CG 4.16Å; F241-K254 HydrophobicContact CZ-CB 3.98Å; F241-K254 HydrophobicContact CZ-CG 4.47Å; F241-I257 HydrophobicContact CE1-CB 4.2Å; F241-I257 HydrophobicContact CE1-CD1 4.05Å; F241-I257 HydrophobicContact CE1-CG2 4.05Å; F241-I257 HydrophobicContact CZ-CB 4.05Å; F241-I257 HydrophobicContact CZ-CG2 3.86Å; F241-R258 HydrophobicContact CE2-CG 3.59Å; F241-R258 HydrophobicContact CZ-CG 3.91Å
242D94.1Very high95.5Very high69 Ų6952.4 Ų52.437%0.36929%0.291SS..  trans-42.5128.9175177.92000112.9D240 E244 F245 F246D240-D242 PolarHBondContact OD1-N 2.96Å; D242-E244 VanDerWaalsContact C-N 3.26Å; D242-E244 PolarHBondContact O-N 2.74Å; D242-E244 PolarHBondContact OD1-N 2.88Å; D242-F245 HydrophobicContact CB-CD2 4.1Å; D242-F245 PolarHBondContact O-N 2.98Å; D242-F246 PolarHBondContact O-N 2.96Å
243E92.1Very high95.6Very high118 Ų11850.8 Ų50.855%0.55127%0.274SS*.Hα-helixtrans-64.1-20.9-178.2-66.2-69.6158.300113.4F241 F245 S247F241-E243 PolarHBondContact O-N 2.89Å; E243-F245 PolarHBondContact O-N 3.42Å; E243-S247 WeakPolarHBondContact O-CB 3.09Å; E243-S247 PolarHBondContact O-N 3.47Å; E243-S247 PolarHBondContact O-OG 2.95Å; E243-S247 VanDerWaalsContact OE2-CA 3.22Å; E243-S247 WeakPolarHBondContact OE2-CA 3.46Å; E243-S247 VanDerWaalsContact OE2-CB 3.27Å; E243-S247 WeakPolarHBondContact OE2-CB 3.3Å
244E91.4Very high95.6Very high97 Ų9749.7 Ų49.745%0.45327%0.267SS..Hα-helixtrans-57.9-32.8168.2178.4177.3164.600110.6D242 N297 N300 K303D242-E244 VanDerWaalsContact C-N 3.26Å; D242-E244 PolarHBondContact O-N 2.74Å; D242-E244 PolarHBondContact OD1-N 2.88Å; E244-N297 PolarHBondContact O-ND2 2.92Å; E244-N300 PolarHBondContact O-ND2 3.06Å; E244-K303 IonicContact OE1-NZ 2.84Å; E244-K303 PolarHBondContact OE1-NZ 3.23Å
245F92.1Very high95.7Very high15 Ų1551.1 Ų51.17%0.06628%0.278CS..Hα-helixtrans-108.4-34.5-172.5-57.2-77000113.5I219 D242 E243 N300 Q304I219-F245 HydrophobicContact CD1-CB 4.14Å; I219-F245 HydrophobicContact CD1-CD1 4.32Å; I219-F245 HydrophobicContact CD1-CD2 3.59Å; I219-F245 HydrophobicContact CD1-CE2 4.13Å; I219-F245 HydrophobicContact CD1-CG 3.72Å; I219-F245 HydrophobicContact CG1-CB 4.35Å; I219-F245 HydrophobicContact CG1-CD1 4.15Å; I219-F245 HydrophobicContact CG1-CD2 4.31Å; I219-F245 HydrophobicContact CG1-CG 3.98Å; I219-F245 HydrophobicContact CG2-CD1 3.94Å; I219-F245 HydrophobicContact CG2-CE1 3.68Å; I219-F245 HydrophobicContact CG2-CE2 4.34Å; I219-F245 HydrophobicContact CG2-CG 4.41Å; I219-F245 HydrophobicContact CG2-CZ 3.91Å; D242-F245 HydrophobicContact CB-CD2 4.1Å; D242-F245 PolarHBondContact O-N 2.98Å; E243-F245 PolarHBondContact O-N 3.42Å; F245-N300 HydrophobicContact CD1-CB 3.87Å; F245-N300 HydrophobicContact CE1-CB 4.01Å; F245-Q304 HydrophobicContact CE1-CG 4.28Å
246F95.1Very high95.9Very high0 Ų049.7 Ų49.70%027%0.268CS..Hα-helixtrans-113.44.4-167.7-72.3-80.8000116.1Y213 L216 S217 I219 F241 D242 N248 T249Y213-F246 HydrophobicContact CD1-CZ 4.06Å; Y213-F246 HydrophobicContact CD2-CE1 4.38Å; Y213-F246 HydrophobicContact CD2-CE2 4.24Å; Y213-F246 AromaticContact CD2-CZ 3.58Å; Y213-F246 HydrophobicContact CD2-CZ 3.58Å; Y213-F246 AromaticContact CE1-CE2 3.96Å; Y213-F246 HydrophobicContact CE1-CE2 3.96Å; Y213-F246 AromaticContact CE1-CZ 3.92Å; Y213-F246 HydrophobicContact CE1-CZ 3.92Å; Y213-F246 HydrophobicContact CE2-CE1 4.41Å; Y213-F246 AromaticContact CE2-CE2 3.57Å; Y213-F246 HydrophobicContact CE2-CE2 3.57Å; Y213-F246 AromaticContact CE2-CZ 3.38Å; Y213-F246 HydrophobicContact CE2-CZ 3.38Å; Y213-F246 AromaticContact CG-CZ 3.94Å; Y213-F246 HydrophobicContact CG-CZ 3.94Å; Y213-F246 AromaticContact CZ-CE2 3.42Å; Y213-F246 VanDerWaalsContact CZ-CE2 3.42Å; Y213-F246 AromaticContact CZ-CZ 3.59Å; L216-F246 HydrophobicContact CB-CE1 4.39Å; S217-F246 VanDerWaalsContact CB-CZ 3.49Å; I219-F246 HydrophobicContact CD1-CE2 4.38Å; F241-F246 HydrophobicContact CB-CB 4.02Å; F241-F246 HydrophobicContact CB-CD2 4.02Å; F241-F246 HydrophobicContact CB-CG 3.97Å; F241-F246 AromaticContact CD1-CD1 3.74Å; F241-F246 HydrophobicContact CD1-CD1 3.74Å; F241-F246 HydrophobicContact CD1-CD2 4.1Å; F241-F246 AromaticContact CD1-CE1 3.79Å; F241-F246 HydrophobicContact CD1-CE1 3.79Å; F241-F246 HydrophobicContact CD1-CE2 4.15Å; F241-F246 AromaticContact CD1-CG 3.9Å; F241-F246 HydrophobicContact CD1-CG 3.9Å; F241-F246 AromaticContact CD1-CZ 3.99Å; F241-F246 HydrophobicContact CD1-CZ 3.99Å; F241-F246 HydrophobicContact CE1-CE1 4.25Å; F241-F246 HydrophobicContact CG-CG 4.44Å; D242-F246 PolarHBondContact O-N 2.96Å; F246-N248 VanDerWaalsContact C-N 3.26Å; F246-N248 PolarHBondContact O-N 3.38Å; F246-T249 HydrophobicContact CD1-CG2 3.94Å; F246-T249 WeakPolarHBondContact O-CB 3.44Å; F246-T249 PolarHBondContact O-N 3.29Å
247S92.1Very high96Very high64 Ų6446.6 Ų46.645%0.44824%0.242SC..THydrogen-bonded Turntrans-58.6-29.6-17940.50000115.2E243E243-S247 WeakPolarHBondContact O-CB 3.09Å; E243-S247 PolarHBondContact O-N 3.47Å; E243-S247 PolarHBondContact O-OG 2.95Å; E243-S247 VanDerWaalsContact OE2-CA 3.22Å; E243-S247 WeakPolarHBondContact OE2-CA 3.46Å; E243-S247 VanDerWaalsContact OE2-CB 3.27Å; E243-S247 WeakPolarHBondContact OE2-CB 3.3Å
248N91Very high96Very high91 Ų9150 Ų5049%0.48725%0.251SS..THydrogen-bonded Turntrans-94.8-6.1175.1-68.3-48.3000114.1F246 S294 V295F246-N248 VanDerWaalsContact C-N 3.26Å; F246-N248 PolarHBondContact O-N 3.38Å; N248-S294 PolarHBondContact O-OG 2.81Å; N248-V295 HydrophobicContact CB-CG2 4.15Å
249T95.8Very high96.1Very high10 Ų1048.8 Ų48.86%0.06124%0.242CC..SBendtrans-83.8132.8-174.2-54.30000111.4E118 L216 F246 A253 K254E118-T249 WeakPolarHBondContact OE1-CA 3.48Å; L216-T249 HydrophobicContact CD1-CG2 4.03Å; F246-T249 HydrophobicContact CD1-CG2 3.94Å; F246-T249 WeakPolarHBondContact O-CB 3.44Å; F246-T249 PolarHBondContact O-N 3.29Å; T249-A253 HydrophobicContact CG2-CB 3.58Å; T249-K254 HydrophobicContact CG2-CG 4.25Å; T249-K254 VanDerWaalsContact O-CE 3.31Å; T249-K254 WeakPolarHBondContact O-CE 3.47Å
250S97.3Very high96.2Very high8 Ų846.7 Ų46.76%0.05623%0.234CC..  trans-67.9149-176.1800000112.6E118 L252 A253 K254E118-S250 PolarHBondContact OE1-N 3.13Å; E118-S250 PolarHBondContact OE1-OG 2.8Å; E118-S250 WeakPolarHBondContact OE2-CB 3.18Å; E118-S250 PolarHBondContact OE2-OG 3.31Å; S250-L252 PolarHBondContact O-N 3.25Å; S250-L252 VanDerWaalsContact O-N 3.13Å; S250-L252 PolarHBondContact OG-N 3.02Å; S250-A253 WeakPolarHBondContact O-CB 3.46Å; S250-A253 PolarHBondContact O-N 3.14Å; S250-A253 PolarHBondContact OG-N 3.32Å; S250-A253 VanDerWaalsContact OG-N 3.09Å; S250-K254 PolarHBondContact O-N 2.91Å
251E97.2Very high96.2Very high104 Ų10442.1 Ų42.149%0.48621%0.21SC..Hα-helixtrans-63.7-15.8170.2-73.6-53.6136.800113.1K254 S255 R258E251-K254 VanDerWaalsContact OE1-CD 3.27Å; E251-K254 WeakPolarHBondContact OE1-CD 3.3Å; E251-K254 VanDerWaalsContact OE1-CE 3.29Å; E251-K254 WeakPolarHBondContact OE1-CE 3.44Å; E251-K254 IonicContact OE1-NZ 2.75Å; E251-K254 PolarHBondContact OE1-NZ 3.46Å; E251-S255 WeakPolarHBondContact O-CB 3.5Å; E251-S255 PolarHBondContact O-N 2.98Å; E251-R258 IonicContact OE2-NH2 3.05Å; E251-R258 PolarHBondContact OE2-NH2 3.25Å
252L97.9Very high96.3Very high36 Ų3643 Ų4319%0.18821%0.214CC..Hα-helixtrans-70.3-43.1170.1-60.1179.8000110.7S250 F256 H277 P278 W279 Q287S250-L252 PolarHBondContact O-N 3.25Å; S250-L252 VanDerWaalsContact O-N 3.13Å; S250-L252 PolarHBondContact OG-N 3.02Å; L252-F256 WeakPolarHBondContact O-CB 3.5Å; L252-F256 PolarHBondContact O-N 2.9Å; L252-H277 PolarHBondContact O-CE1 2.88Å; L252-P278 HydrophobicContact CD2-CB 4.34Å; L252-W279 HydrophobicContact CB-CB 4.03Å; L252-W279 HydrophobicContact CB-CG 4.27Å; L252-Q287 HydrophobicContact CD1-CB 3.98Å; L252-Q287 HydrophobicContact CD1-CG 4.1Å
253A98.3Very high96.5Very high0 Ų044.3 Ų44.30%022%0.217CC..Hα-helixtrans-64.9-50.7173.400000111.8L216 T249 S250 S255 F256 I257 W279L216-A253 HydrophobicContact CD1-CB 3.66Å; T249-A253 HydrophobicContact CG2-CB 3.58Å; S250-A253 WeakPolarHBondContact O-CB 3.46Å; S250-A253 PolarHBondContact O-N 3.14Å; S250-A253 PolarHBondContact OG-N 3.32Å; S250-A253 VanDerWaalsContact OG-N 3.09Å; A253-S255 VanDerWaalsContact C-N 3.27Å; A253-S255 PolarHBondContact O-N 2.72Å; A253-F256 WeakPolarHBondContact O-CB 3.39Å; A253-F256 PolarHBondContact O-N 3.43Å; A253-F256 VanDerWaalsContact O-N 3.14Å; A253-I257 PolarHBondContact O-N 2.9Å; A253-W279 HydrophobicContact CB-CD2 4.32Å; A253-W279 HydrophobicContact CB-CG 4.48Å; A253-W279 HydrophobicContact CB-CZ2 4.06Å
254K98.5Very high96.7Very high18 Ų1840.4 Ų40.48%0.07820%0.2CC..Hα-helixtrans-59.4-39.2177.5-57.4-171.7-151.41630111.1F241 T249 S250 E251 I257 R258F241-K254 HydrophobicContact CB-CD 4.03Å; F241-K254 HydrophobicContact CD1-CB 4.25Å; F241-K254 HydrophobicContact CD1-CD 4.09Å; F241-K254 HydrophobicContact CD1-CG 3.85Å; F241-K254 HydrophobicContact CD2-CB 4.49Å; F241-K254 HydrophobicContact CD2-CD 4.37Å; F241-K254 HydrophobicContact CE1-CB 3.98Å; F241-K254 HydrophobicContact CE1-CG 4.01Å; F241-K254 HydrophobicContact CE2-CB 4.26Å; F241-K254 HydrophobicContact CG-CB 4.49Å; F241-K254 HydrophobicContact CG-CD 3.92Å; F241-K254 HydrophobicContact CG-CG 4.16Å; F241-K254 HydrophobicContact CZ-CB 3.98Å; F241-K254 HydrophobicContact CZ-CG 4.47Å; T249-K254 HydrophobicContact CG2-CG 4.25Å; T249-K254 VanDerWaalsContact O-CE 3.31Å; T249-K254 WeakPolarHBondContact O-CE 3.47Å; S250-K254 PolarHBondContact O-N 2.91Å; E251-K254 VanDerWaalsContact OE1-CD 3.27Å; E251-K254 WeakPolarHBondContact OE1-CD 3.3Å; E251-K254 VanDerWaalsContact OE1-CE 3.29Å; E251-K254 WeakPolarHBondContact OE1-CE 3.44Å; E251-K254 IonicContact OE1-NZ 2.75Å; E251-K254 PolarHBondContact OE1-NZ 3.46Å; K254-I257 PolarHBondContact O-N 3.25Å; K254-R258 WeakPolarHBondContact O-CB 3.16Å; K254-R258 VanDerWaalsContact O-CG 3.3Å; K254-R258 WeakPolarHBondContact O-CG 3.35Å; K254-R258 PolarHBondContact O-N 3.27Å
255S98.6Very high97Very high31 Ų3137.9 Ų37.922%0.21719%0.191CC..Hα-helixtrans-69.4-36.5175.9-157.60000113.5E251 A253 R258 Q259E251-S255 WeakPolarHBondContact O-CB 3.5Å; E251-S255 PolarHBondContact O-N 2.98Å; A253-S255 VanDerWaalsContact C-N 3.27Å; A253-S255 PolarHBondContact O-N 2.72Å; S255-R258 PolarHBondContact O-N 3.33Å; S255-R258 PolarHBondContact OG-NH1 3.08Å; S255-Q259 PolarHBondContact O-N 3.28Å; S255-Q259 PolarHBondContact O-NE2 3.13Å; S255-Q259 PolarHBondContact OG-NE2 3.47Å
256F98.8Very high97.2Very high0 Ų047 Ų470%023%0.225CC..Hα-helixtrans-59.3-49173.4-179.5-108.6000110.8I125 L129 T212 L252 A253 Q259 L260 M269 A274 H277 W279 I280I125-F256 HydrophobicContact CG2-CE1 4.06Å; I125-F256 HydrophobicContact CG2-CZ 4.16Å; L129-F256 HydrophobicContact CD1-CZ 4.14Å; T212-F256 HydrophobicContact CG2-CD1 4.05Å; T212-F256 HydrophobicContact CG2-CE1 4.14Å; L252-F256 WeakPolarHBondContact O-CB 3.5Å; L252-F256 PolarHBondContact O-N 2.9Å; A253-F256 WeakPolarHBondContact O-CB 3.39Å; A253-F256 PolarHBondContact O-N 3.43Å; A253-F256 VanDerWaalsContact O-N 3.14Å; F256-Q259 PolarHBondContact O-N 2.92Å; F256-L260 HydrophobicContact CD1-CD1 3.82Å; F256-L260 HydrophobicContact CD2-CD1 4.4Å; F256-L260 HydrophobicContact CE1-CD1 3.45Å; F256-L260 VanDerWaalsContact CE1-CD1 3.45Å; F256-L260 HydrophobicContact CE2-CD1 4.1Å; F256-L260 HydrophobicContact CG-CD1 4.3Å; F256-L260 HydrophobicContact CZ-CD1 3.61Å; F256-L260 WeakPolarHBondContact O-CG 3.32Å; F256-L260 PolarHBondContact O-N 3.36Å; F256-M269 HydrophobicContact CD2-CE 4.13Å; F256-M269 HydrophobicContact CD2-SD 4.24Å; F256-M269 HydrophobicContact CE2-SD 4.25Å; F256-A274 HydrophobicContact CE2-CB 3.97Å; F256-A274 HydrophobicContact CZ-CB 4.41Å; F256-H277 HydrophobicContact CD2-CB 3.89Å; F256-H277 AromaticContact CD2-CG 3.74Å; F256-H277 AromaticContact CD2-ND1 3.49Å; F256-H277 WeakPolarHBondContact CD2-ND1 3.4Å; F256-H277 HydrophobicContact CE2-CB 4.28Å; F256-H277 AromaticContact CG-ND1 3.97Å; F256-H277 PolarHBondContact N-CE1 3.44Å; F256-W279 HydrophobicContact CB-CB 4.16Å; F256-W279 HydrophobicContact CB-CD2 4.35Å; F256-W279 HydrophobicContact CB-CE3 3.98Å; F256-W279 HydrophobicContact CB-CG 4.45Å; F256-W279 HydrophobicContact CD1-CD2 4.44Å; F256-W279 AromaticContact CD1-CE3 3.36Å; F256-W279 HydrophobicContact CD1-CE3 3.36Å; F256-W279 AromaticContact CD1-CZ3 3.52Å; F256-W279 HydrophobicContact CD1-CZ3 3.52Å; F256-W279 HydrophobicContact CD2-CE3 4.28Å; F256-W279 AromaticContact CE1-CE3 3.79Å; F256-W279 HydrophobicContact CE1-CE3 3.79Å; F256-W279 AromaticContact CE1-CZ3 3.67Å; F256-W279 HydrophobicContact CE1-CZ3 3.67Å; F256-W279 HydrophobicContact CG-CD2 4.44Å; F256-W279 AromaticContact CG-CE3 3.62Å; F256-W279 HydrophobicContact CG-CE3 3.62Å; F256-W279 HydrophobicContact CG-CZ3 4.26Å; F256-W279 HydrophobicContact CZ-CE3 4.39Å; F256-I280 HydrophobicContact CD2-CG1 4.33Å; F256-I280 HydrophobicContact CE1-CD1 4.47Å; F256-I280 HydrophobicContact CE2-CD1 4.26Å; F256-I280 HydrophobicContact CE2-CG1 3.73Å; F256-I280 HydrophobicContact CZ-CD1 4.03Å; F256-I280 HydrophobicContact CZ-CG1 3.99Å
257I98.8Very high97.3Very high0 Ų053.6 Ų53.60%025%0.253CS..Hα-helixtrans-61.4-48176.4-66.2166.4000111.1T212 Y213 L216 Y239 F241 A253 K254 Q259 L260 L261T212-I257 HydrophobicContact CG2-CD1 4.19Å; T212-I257 HydrophobicContact CG2-CG1 3.97Å; Y213-I257 HydrophobicContact CD2-CD1 4.37Å; Y213-I257 HydrophobicContact CD2-CG2 4.15Å; L216-I257 HydrophobicContact CD1-CD1 4.14Å; Y239-I257 HydrophobicContact CE2-CG2 4.31Å; F241-I257 HydrophobicContact CE1-CB 4.2Å; F241-I257 HydrophobicContact CE1-CD1 4.05Å; F241-I257 HydrophobicContact CE1-CG2 4.05Å; F241-I257 HydrophobicContact CZ-CB 4.05Å; F241-I257 HydrophobicContact CZ-CG2 3.86Å; A253-I257 PolarHBondContact O-N 2.9Å; K254-I257 PolarHBondContact O-N 3.25Å; I257-Q259 PolarHBondContact O-N 3.5Å; I257-Q259 VanDerWaalsContact O-N 3.15Å; I257-L260 PolarHBondContact O-N 3.44Å; I257-L261 HydrophobicContact CG2-CD1 3.59Å; I257-L261 HydrophobicContact CG2-CG 4Å; I257-L261 PolarHBondContact O-N 2.94Å
258R98.8Very high97.6Very high103 Ų10350.9 Ų50.939%0.38923%0.233SC..Hα-helixtrans-55.5-34-178.9-81.1-174.8-89102.3-8.3114.1Y239 F241 E251 K254 S255Y239-R258 WeakPolarHBondContact OH-CA 3.37Å; F241-R258 HydrophobicContact CE2-CG 3.59Å; F241-R258 HydrophobicContact CZ-CG 3.91Å; E251-R258 IonicContact OE2-NH2 3.05Å; E251-R258 PolarHBondContact OE2-NH2 3.25Å; K254-R258 WeakPolarHBondContact O-CB 3.16Å; K254-R258 VanDerWaalsContact O-CG 3.3Å; K254-R258 WeakPolarHBondContact O-CG 3.35Å; K254-R258 PolarHBondContact O-N 3.27Å; S255-R258 PolarHBondContact O-N 3.33Å; S255-R258 PolarHBondContact OG-NH1 3.08Å
259Q98.8Very high98Very high79 Ų7947.1 Ų47.137%0.36921%0.213SC..Hα-helixtrans-86.8-14.4179.8-72.5164.2101.100113.1S255 F256 I257 M269 H277S255-Q259 PolarHBondContact O-N 3.28Å; S255-Q259 PolarHBondContact O-NE2 3.13Å; S255-Q259 PolarHBondContact OG-NE2 3.47Å; F256-Q259 PolarHBondContact O-N 2.92Å; I257-Q259 PolarHBondContact O-N 3.5Å; I257-Q259 VanDerWaalsContact O-N 3.15Å; Q259-M269 HydrophobicContact CB-CB 4.21Å; Q259-M269 HydrophobicContact CB-CE 3.24Å; Q259-M269 HydrophobicContact CG-CE 4.09Å; Q259-M269 WeakPolarHBondContact O-CB 3.38Å; Q259-M269 PolarHBondContact O-N 3.32Å; Q259-H277 PolarHBondContact NE2-NE2 3.31Å
260L98.8Very high98.1Very high0 Ų049.7 Ų49.70%023%0.229CC..Hα-helixtrans-91.1-35.6171.9-69.6170.1000112.2M205 I208 F256 I257 E262 R268 M269M205-L260 HydrophobicContact CB-CD2 4Å; M205-L260 HydrophobicContact CE-CD2 3.6Å; I208-L260 HydrophobicContact CG2-CD1 4.21Å; F256-L260 HydrophobicContact CD1-CD1 3.82Å; F256-L260 HydrophobicContact CD2-CD1 4.4Å; F256-L260 HydrophobicContact CE1-CD1 3.45Å; F256-L260 VanDerWaalsContact CE1-CD1 3.45Å; F256-L260 HydrophobicContact CE2-CD1 4.1Å; F256-L260 HydrophobicContact CG-CD1 4.3Å; F256-L260 HydrophobicContact CZ-CD1 3.61Å; F256-L260 WeakPolarHBondContact O-CG 3.32Å; F256-L260 PolarHBondContact O-N 3.36Å; I257-L260 PolarHBondContact O-N 3.44Å; L260-E262 PolarHBondContact O-N 3.26Å; L260-R268 VanDerWaalsContact O-CD 3.26Å; L260-R268 WeakPolarHBondContact O-CD 3.28Å; L260-R268 VanDerWaalsContact O-CG 3.24Å; L260-R268 WeakPolarHBondContact O-CG 3.43Å; L260-M269 HydrophobicContact CD2-CB 3.99Å
261L98.7Very high98.2Very high4 Ų449.5 Ų49.52%0.02123%0.227CC..SBendtrans-88.243.6174.7-58.7-174.5000111.8W206 V210 P221 F222 V237 Y239 I257W206-L261 HydrophobicContact CD2-CD2 3.8Å; W206-L261 HydrophobicContact CE3-CB 4.39Å; W206-L261 HydrophobicContact CE3-CD2 3.94Å; W206-L261 HydrophobicContact CG-CD2 4.26Å; W206-L261 HydrophobicContact CZ2-CD2 4.41Å; W206-L261 HydrophobicContact CZ3-CB 4.17Å; W206-L261 HydrophobicContact CZ3-CD2 4.29Å; V210-L261 HydrophobicContact CG2-CD2 3.86Å; P221-L261 HydrophobicContact CB-CD1 4.29Å; P221-L261 HydrophobicContact CG-CD1 4.28Å; F222-L261 HydrophobicContact CE2-CD1 4.15Å; F222-L261 HydrophobicContact CE2-CD2 4.09Å; F222-L261 HydrophobicContact CZ-CD1 4.06Å; F222-L261 HydrophobicContact CZ-CD2 4.4Å; V237-L261 VanDerWaalsContact CG1-O 3.3Å; V237-L261 WeakPolarHBondContact CG1-O 3.21Å; Y239-L261 HydrophobicContact CD1-CD1 4.33Å; Y239-L261 HydrophobicContact CD2-CD1 4.22Å; Y239-L261 HydrophobicContact CE1-CB 3.79Å; Y239-L261 HydrophobicContact CE1-CD1 3.99Å; Y239-L261 HydrophobicContact CE2-CD1 3.9Å; Y239-L261 HydrophobicContact CG-CD1 4.44Å; I257-L261 HydrophobicContact CG2-CD1 3.59Å; I257-L261 HydrophobicContact CG2-CG 4Å; I257-L261 PolarHBondContact O-N 2.94Å
262E98.4Very high98.2Very high56 Ų5648.9 Ų48.926%0.26222%0.224SC..  trans-96.2141.5174.716362.8-101.900110.1L260 D264 K267 R268L260-E262 PolarHBondContact O-N 3.26Å; E262-D264 PolarHBondContact OE1-N 2.82Å; E262-K267 HydrophobicContact CG-CB 3.64Å; E262-R268 HydrophobicContact CB-CB 4.3Å; E262-R268 HydrophobicContact CB-CG 4.47Å; E262-R268 HydrophobicContact CG-CB 4.41Å; E262-R268 PolarHBondContact O-NE 3.39Å; E262-R268 PolarHBondContact O-NH2 2.93Å; E262-R268 VanDerWaalsContact O-NH2 3.1Å
263K97.5Very high98.2Very high97 Ų9751.4 Ų51.442%0.42224%0.238SC..SBendtrans-78.7-43.2-174.4-166.6171.4179.9164.70112.5P191 S235 V237 T265P191-K263 HydrophobicContact CB-CG 4.43Å; S235-K263 PolarHBondContact O-NZ 3.28Å; V237-K263 HydrophobicContact CG2-CB 3.83Å; V237-K263 HydrophobicContact CG2-CD 4.06Å; V237-K263 HydrophobicContact CG2-CG 4.03Å; K263-T265 PolarHBondContact O-N 3.37Å
264D97.4Very high98.3Very high36 Ų3651.4 Ų51.419%0.19324%0.238CC..SBendtrans-74.7108177.5-170.7-23.6000109E262 R266 K267 R268E262-D264 PolarHBondContact OE1-N 2.82Å; D264-R266 PolarHBondContact O-N 2.74Å; D264-R266 WeakPolarHBondContact OD1-CB 3.21Å; D264-R266 IonicContact OD1-CZ 2.64Å; D264-R266 PolarHBondContact OD1-N 2.83Å; D264-R266 VanDerWaalsContact OD1-N 3.15Å; D264-R266 IonicContact OD1-NE 3.79Å; D264-R266 PolarHBondContact OD1-NE 3.22Å; D264-R266 IonicContact OD1-NH2 2.66Å; D264-R266 PolarHBondContact OD1-NH2 2.77Å; D264-R266 IonicContact OD2-CZ 2.67Å; D264-R266 IonicContact OD2-NE 2.55Å; D264-R266 IonicContact OD2-NH2 2.65Å; D264-R266 PolarHBondContact OD2-NH2 2.97Å; D264-K267 HydrophobicContact CB-CB 4.22Å; D264-K267 HydrophobicContact CB-CD 3.89Å; D264-K267 HydrophobicContact CB-CG 3.93Å; D264-K267 PolarHBondContact O-N 2.77Å; D264-K267 WeakPolarHBondContact OD2-CE 3.35Å; D264-K267 IonicContact OD2-NZ 3.87Å; D264-R268 PolarHBondContact O-N 3.32Å
265T96.7Very high98.3Very high43 Ų4351.4 Ų51.426%0.26424%0.239SC..THydrogen-bonded Turntrans-54.5-25-178.1520000113.2E192 E202 K263E192-T265 HydrophobicContact CG-CG2 4.39Å; E202-T265 HydrophobicContact CB-CG2 4.25Å; K263-T265 PolarHBondContact O-N 3.37Å
266R96.1Very high98.2Very high207 Ų20753.8 Ų53.878%0.78125%0.249SC*.THydrogen-bonded Turntrans-81.9-12.2177.9-52.6163.7-62.2177.76.7113.9D264D264-R266 PolarHBondContact O-N 2.74Å; D264-R266 WeakPolarHBondContact OD1-CB 3.21Å; D264-R266 IonicContact OD1-CZ 2.64Å; D264-R266 PolarHBondContact OD1-N 2.83Å; D264-R266 VanDerWaalsContact OD1-N 3.15Å; D264-R266 IonicContact OD1-NE 3.79Å; D264-R266 PolarHBondContact OD1-NE 3.22Å; D264-R266 IonicContact OD1-NH2 2.66Å; D264-R266 PolarHBondContact OD1-NH2 2.77Å; D264-R266 IonicContact OD2-CZ 2.67Å; D264-R266 IonicContact OD2-NE 2.55Å; D264-R266 IonicContact OD2-NH2 2.65Å; D264-R266 PolarHBondContact OD2-NH2 2.97Å
267K97.9Very high98.2Very high138 Ų13854.7 Ų54.760%0.625%0.253SS*.THydrogen-bonded Turntrans-105.1-23.6173.8-60.5-178.7-159.9159.30112.3E262 D264 M269E262-K267 HydrophobicContact CG-CB 3.64Å; D264-K267 HydrophobicContact CB-CB 4.22Å; D264-K267 HydrophobicContact CB-CD 3.89Å; D264-K267 HydrophobicContact CB-CG 3.93Å; D264-K267 PolarHBondContact O-N 2.77Å; D264-K267 WeakPolarHBondContact OD2-CE 3.35Å; D264-K267 IonicContact OD2-NZ 3.87Å; K267-M269 PolarHBondContact O-N 3.37Å
268R98.6Very high98.2Very high8 Ų856.1 Ų56.13%0.0326%0.262CS..SBendtrans-57.8134.6176.9-164.6-177.8-61.4154.15.8109.9E192 E202 L260 E262 D264 T270E192-R268 IonicContact OE1-CZ 3.91Å; E192-R268 IonicContact OE1-NH1 2.64Å; E192-R268 PolarHBondContact OE1-NH1 3.26Å; E192-R268 IonicContact OE1-NH2 3.69Å; E192-R268 IonicContact OE2-CZ 2.82Å; E192-R268 IonicContact OE2-NH1 2.86Å; E192-R268 PolarHBondContact OE2-NH1 2.67Å; E192-R268 IonicContact OE2-NH2 3.29Å; E192-R268 PolarHBondContact OE2-NH2 3.17Å; E202-R268 VanDerWaalsContact C-NH1 3.31Å; E202-R268 WeakPolarHBondContact O-CD 3.47Å; E202-R268 PolarHBondContact O-NH1 3.16Å; L260-R268 VanDerWaalsContact O-CD 3.26Å; L260-R268 WeakPolarHBondContact O-CD 3.28Å; L260-R268 VanDerWaalsContact O-CG 3.24Å; L260-R268 WeakPolarHBondContact O-CG 3.43Å; E262-R268 HydrophobicContact CB-CB 4.3Å; E262-R268 HydrophobicContact CB-CG 4.47Å; E262-R268 HydrophobicContact CG-CB 4.41Å; E262-R268 PolarHBondContact O-NE 3.39Å; E262-R268 PolarHBondContact O-NH2 2.93Å; E262-R268 VanDerWaalsContact O-NH2 3.1Å; D264-R268 PolarHBondContact O-N 3.32Å; R268-T270 PolarHBondContact O-N 2.65Å
269M98.4Very high98.2Very high12 Ų1251.2 Ų51.26%0.05924%0.244CC..PPolyproline II helixtrans-59.3128.8-173.7-168.9-172.7-50.100111.7F256 Q259 L260 K267 D273 A274 H277F256-M269 HydrophobicContact CD2-CE 4.13Å; F256-M269 HydrophobicContact CD2-SD 4.24Å; F256-M269 HydrophobicContact CE2-SD 4.25Å; Q259-M269 HydrophobicContact CB-CB 4.21Å; Q259-M269 HydrophobicContact CB-CE 3.24Å; Q259-M269 HydrophobicContact CG-CE 4.09Å; Q259-M269 WeakPolarHBondContact O-CB 3.38Å; Q259-M269 PolarHBondContact O-N 3.32Å; L260-M269 HydrophobicContact CD2-CB 3.99Å; K267-M269 PolarHBondContact O-N 3.37Å; M269-D273 HydrophobicContact CG-CB 3.48Å; M269-D273 VanDerWaalsContact CG-CB 3.48Å; M269-D273 HydrophobicContact SD-CB 4.31Å; M269-A274 HydrophobicContact CG-CB 4.38Å; M269-A274 WeakPolarHBondContact SD-CA 3.37Å; M269-A274 HydrophobicContact SD-CB 3.76Å; M269-A274 PolarHBondContact SD-N 3.32Å; M269-A274 VanDerWaalsContact SD-N 3.4Å; M269-H277 HydrophobicContact CE-CB 4.42Å; M269-H277 HydrophobicContact SD-CB 4.12Å
270T98.6Very high98.1Very high63 Ų6348.2 Ų48.239%0.38723%0.23SC..PPolyproline II helixtrans-73165.8176.177.30000111.7R268 Q272 D273 A274R268-T270 PolarHBondContact O-N 2.65Å; T270-Q272 VanDerWaalsContact C-N 3.29Å; T270-Q272 PolarHBondContact O-N 3.29Å; T270-Q272 PolarHBondContact OG1-N 2.87Å; T270-D273 WeakPolarHBondContact CB-OD2 3.35Å; T270-D273 WeakPolarHBondContact CG2-OD2 3.39Å; T270-D273 PolarHBondContact O-N 3.41Å; T270-D273 VanDerWaalsContact OG1-CG 3.23Å; T270-D273 PolarHBondContact OG1-N 2.9Å; T270-D273 PolarHBondContact OG1-OD2 3.35Å; T270-A274 WeakPolarHBondContact O-CB 3.43Å; T270-A274 PolarHBondContact O-N 2.98Å
271I98.6Very high98Very high4 Ų453.4 Ų53.42%0.02125%0.253CS..Hα-helixtrans-64.6-31.3177.4-166.759.7000113L129 V132 Q133 H136 M205 L275L129-I271 HydrophobicContact CB-CD1 4.14Å; L129-I271 HydrophobicContact CD2-CD1 3.51Å; L129-I271 HydrophobicContact CG-CD1 4.45Å; V132-I271 HydrophobicContact CB-CD1 4.08Å; V132-I271 HydrophobicContact CG1-CD1 3.94Å; V132-I271 HydrophobicContact CG1-CG1 4.28Å; Q133-I271 HydrophobicContact CB-CG1 3.81Å; H136-I271 HydrophobicContact CB-CG2 3.96Å; M205-I271 HydrophobicContact CE-CB 4.22Å; M205-I271 HydrophobicContact CE-CD1 3.85Å; M205-I271 HydrophobicContact SD-CB 3.76Å; M205-I271 HydrophobicContact SD-CD1 3.77Å; M205-I271 HydrophobicContact SD-CG1 4.29Å; I271-L275 PolarHBondContact O-N 3.07Å
272Q98.4Very high97.8Very high92 Ų9255.3 Ų55.343%0.4327%0.265SS..Hα-helixtrans-69.8-40.2172.3-81.269.430.100112.1T270 N276T270-Q272 VanDerWaalsContact C-N 3.29Å; T270-Q272 PolarHBondContact O-N 3.29Å; T270-Q272 PolarHBondContact OG1-N 2.87Å; Q272-N276 PolarHBondContact O-N 2.83Å; Q272-N276 PolarHBondContact O-ND2 2.95Å
273D98.4Very high97.6Very high88 Ų8858.6 Ų58.647%0.47128%0.284SS..Hα-helixtrans-68.4-39.6177.1-61-50.9000110.8M269 T270 L275 N276 H277M269-D273 HydrophobicContact CG-CB 3.48Å; M269-D273 VanDerWaalsContact CG-CB 3.48Å; M269-D273 HydrophobicContact SD-CB 4.31Å; T270-D273 WeakPolarHBondContact CB-OD2 3.35Å; T270-D273 WeakPolarHBondContact CG2-OD2 3.39Å; T270-D273 PolarHBondContact O-N 3.41Å; T270-D273 VanDerWaalsContact OG1-CG 3.23Å; T270-D273 PolarHBondContact OG1-N 2.9Å; T270-D273 PolarHBondContact OG1-OD2 3.35Å; D273-L275 PolarHBondContact O-N 3.18Å; D273-N276 CarbonylContact O-C 3.58Å; D273-N276 WeakPolarHBondContact O-CA 3.23Å; D273-N276 PolarHBondContact O-N 3.16Å; D273-H277 PolarHBondContact O-N 2.78Å
274A98.8Very high97.5Very high0 Ų057.9 Ų57.90%029%0.285CS..Hα-helixtrans-59.7-43.4176.500000113L129 M205 F256 M269 T270 N276 H277 I280L129-A274 HydrophobicContact CD1-CB 4.38Å; L129-A274 HydrophobicContact CD2-CB 3.74Å; M205-A274 HydrophobicContact CE-CB 3.78Å; F256-A274 HydrophobicContact CE2-CB 3.97Å; F256-A274 HydrophobicContact CZ-CB 4.41Å; M269-A274 HydrophobicContact CG-CB 4.38Å; M269-A274 WeakPolarHBondContact SD-CA 3.37Å; M269-A274 HydrophobicContact SD-CB 3.76Å; M269-A274 PolarHBondContact SD-N 3.32Å; M269-A274 VanDerWaalsContact SD-N 3.4Å; T270-A274 WeakPolarHBondContact O-CB 3.43Å; T270-A274 PolarHBondContact O-N 2.98Å; A274-N276 PolarHBondContact O-N 3.19Å; A274-H277 PolarHBondContact O-N 2.64Å; A274-I280 VanDerWaalsContact O-CG1 3.32Å; A274-I280 WeakPolarHBondContact O-CG1 3.42Å
275L98.6Very high97.3Very high19 Ų1961.1 Ų61.110%0.09931%0.31CS..Hα-helixtrans-70.6-15.6175.3-77.3163.6000114K126 L129 D130 Q133 I271 D273K126-L275 HydrophobicContact CG-CD2 3.97Å; L129-L275 HydrophobicContact CB-CD1 4.39Å; L129-L275 HydrophobicContact CB-CD2 3.61Å; L129-L275 HydrophobicContact CB-CG 3.88Å; L129-L275 HydrophobicContact CD1-CD2 4.12Å; L129-L275 HydrophobicContact CD1-CG 4.37Å; D130-L275 WeakPolarHBondContact OD1-CD2 2.89Å; Q133-L275 HydrophobicContact CB-CD1 3.88Å; Q133-L275 VanDerWaalsContact CD-CD1 3.48Å; Q133-L275 HydrophobicContact CG-CD1 4.25Å; Q133-L275 VanDerWaalsContact NE2-CD1 3.26Å; I271-L275 PolarHBondContact O-N 3.07Å; D273-L275 PolarHBondContact O-N 3.18Å
276N98.3Very high97.2Very high81 Ų8168.7 Ų68.743%0.43333%0.334SS..Hα-helixtrans-104.4-6173.9-71.1-72.6000114.1Q272 D273 A274 K281Q272-N276 PolarHBondContact O-N 2.83Å; Q272-N276 PolarHBondContact O-ND2 2.95Å; D273-N276 CarbonylContact O-C 3.58Å; D273-N276 WeakPolarHBondContact O-CA 3.23Å; D273-N276 PolarHBondContact O-N 3.16Å; A274-N276 PolarHBondContact O-N 3.19Å; N276-K281 PolarHBondContact OD1-NZ 3.39Å
277H98.6Very high97.1Very high19 Ų1960.8 Ų60.89%0.08831%0.306CS..SBendtrans-62.2137.5-178.4-173.5-99.9000110.8L252 F256 Q259 M269 D273 A274 W279 I280 K281L252-H277 PolarHBondContact O-CE1 2.88Å; F256-H277 HydrophobicContact CD2-CB 3.89Å; F256-H277 AromaticContact CD2-CG 3.74Å; F256-H277 AromaticContact CD2-ND1 3.49Å; F256-H277 WeakPolarHBondContact CD2-ND1 3.4Å; F256-H277 HydrophobicContact CE2-CB 4.28Å; F256-H277 AromaticContact CG-ND1 3.97Å; F256-H277 PolarHBondContact N-CE1 3.44Å; Q259-H277 PolarHBondContact NE2-NE2 3.31Å; M269-H277 HydrophobicContact CE-CB 4.42Å; M269-H277 HydrophobicContact SD-CB 4.12Å; D273-H277 PolarHBondContact O-N 2.78Å; A274-H277 PolarHBondContact O-N 2.64Å; H277-W279 WeakPolarHBondContact ND1-CB 3.37Å; H277-W279 PolarHBondContact ND1-N 2.92Å; H277-W279 PolarHBondContact O-N 3.38Å; H277-I280 PolarHBondContact O-N 3.14Å; H277-K281 PolarHBondContact O-N 3.07Å
278P97.8Very high96.8Very high30 Ų3055.6 Ų55.620%0.19529%0.288CS..THydrogen-bonded Turntrans-57-19.1-174-29.836.9000116.2L252 P282 L283L252-P278 HydrophobicContact CD2-CB 4.34Å; P278-P282 VanDerWaalsContact O-CA 3.3Å; P278-P282 WeakPolarHBondContact O-CA 3.48Å; P278-L283 HydrophobicContact CB-CG 4.43Å; P278-L283 HydrophobicContact CG-CD1 4.01Å; P278-L283 HydrophobicContact CG-CG 4.17Å
279W98.2Very high96.5Very high0 Ų061 Ų610%032%0.315CS..THydrogen-bonded Turntrans-71.6-44171.5-169.959.7000112.8E118 T122 I125 T212 L216 L252 A253 F256 H277 K291E118-W279 HydrophobicContact CG-CZ2 4.49Å; E118-W279 PolarHBondContact OE2-NE1 3.32Å; T122-W279 HydrophobicContact CG2-CD2 3.5Å; T122-W279 VanDerWaalsContact CG2-CD2 3.5Å; T122-W279 HydrophobicContact CG2-CE3 3.73Å; T122-W279 HydrophobicContact CG2-CG 4.17Å; T122-W279 HydrophobicContact CG2-CH2 3.67Å; T122-W279 HydrophobicContact CG2-CZ2 3.42Å; T122-W279 VanDerWaalsContact CG2-CZ2 3.42Å; T122-W279 HydrophobicContact CG2-CZ3 3.82Å; I125-W279 HydrophobicContact CB-CZ3 4.38Å; I125-W279 HydrophobicContact CG1-CH2 4.16Å; I125-W279 HydrophobicContact CG1-CZ3 4.19Å; I125-W279 HydrophobicContact CG2-CZ3 4.27Å; T212-W279 HydrophobicContact CG2-CH2 3.58Å; T212-W279 HydrophobicContact CG2-CZ3 3.61Å; L216-W279 HydrophobicContact CD1-CH2 4.2Å; L216-W279 HydrophobicContact CD1-CZ2 3.95Å; L216-W279 HydrophobicContact CD2-CH2 4.46Å; L216-W279 HydrophobicContact CD2-CZ2 4.12Å; L252-W279 HydrophobicContact CB-CB 4.03Å; L252-W279 HydrophobicContact CB-CG 4.27Å; A253-W279 HydrophobicContact CB-CD2 4.32Å; A253-W279 HydrophobicContact CB-CG 4.48Å; A253-W279 HydrophobicContact CB-CZ2 4.06Å; F256-W279 HydrophobicContact CB-CB 4.16Å; F256-W279 HydrophobicContact CB-CD2 4.35Å; F256-W279 HydrophobicContact CB-CE3 3.98Å; F256-W279 HydrophobicContact CB-CG 4.45Å; F256-W279 HydrophobicContact CD1-CD2 4.44Å; F256-W279 AromaticContact CD1-CE3 3.36Å; F256-W279 HydrophobicContact CD1-CE3 3.36Å; F256-W279 AromaticContact CD1-CZ3 3.52Å; F256-W279 HydrophobicContact CD1-CZ3 3.52Å; F256-W279 HydrophobicContact CD2-CE3 4.28Å; F256-W279 AromaticContact CE1-CE3 3.79Å; F256-W279 HydrophobicContact CE1-CE3 3.79Å; F256-W279 AromaticContact CE1-CZ3 3.67Å; F256-W279 HydrophobicContact CE1-CZ3 3.67Å; F256-W279 HydrophobicContact CG-CD2 4.44Å; F256-W279 AromaticContact CG-CE3 3.62Å; F256-W279 HydrophobicContact CG-CE3 3.62Å; F256-W279 HydrophobicContact CG-CZ3 4.26Å; F256-W279 HydrophobicContact CZ-CE3 4.39Å; H277-W279 WeakPolarHBondContact ND1-CB 3.37Å; H277-W279 PolarHBondContact ND1-N 2.92Å; H277-W279 PolarHBondContact O-N 3.38Å; W279-K291 WeakPolarHBondContact O-CD 3.45Å; W279-K291 WeakPolarHBondContact O-CE 3.35Å; W279-K291 PolarHBondContact O-NZ 3.02Å
280I98.2Very high96.3Very high15 Ų1563.1 Ų63.18%0.07733%0.329CS..THydrogen-bonded Turntrans-75.4-48.3176.2-58.7-59.6000109.7T122 I125 K126 L129 F256 A274 H277 P282 K291T122-I280 HydrophobicContact CG2-CD1 4.19Å; I125-I280 HydrophobicContact CB-CD1 4.32Å; I125-I280 HydrophobicContact CG2-CD1 3.86Å; K126-I280 HydrophobicContact CB-CG2 4.34Å; K126-I280 HydrophobicContact CG-CG2 4.13Å; L129-I280 HydrophobicContact CD1-CD1 3.82Å; L129-I280 HydrophobicContact CD1-CG1 3.78Å; L129-I280 HydrophobicContact CD1-CG2 4.28Å; F256-I280 HydrophobicContact CD2-CG1 4.33Å; F256-I280 HydrophobicContact CE1-CD1 4.47Å; F256-I280 HydrophobicContact CE2-CD1 4.26Å; F256-I280 HydrophobicContact CE2-CG1 3.73Å; F256-I280 HydrophobicContact CZ-CD1 4.03Å; F256-I280 HydrophobicContact CZ-CG1 3.99Å; A274-I280 VanDerWaalsContact O-CG1 3.32Å; A274-I280 WeakPolarHBondContact O-CG1 3.42Å; H277-I280 PolarHBondContact O-N 3.14Å; I280-P282 WeakPolarHBondContact O-CD 3.34Å; I280-K291 PolarHBondContact O-NZ 3.1Å
281K96.9Very high95.9Very high110 Ų11060.8 Ų60.848%0.47831%0.314SS..SBendtrans-124.883.9-173.7-175.3-178.2175.1-178.70110.8N276 H277 L283N276-K281 PolarHBondContact OD1-NZ 3.39Å; H277-K281 PolarHBondContact O-N 3.07Å; K281-L283 PolarHBondContact O-N 2.82Å
282P94.2Very high95.6Very high43 Ų4367.6 Ų67.628%0.27934%0.339SS..  trans-55.4135.3-179.9-27.635.6000113.3P278 I280 Q287 A288 K291P278-P282 VanDerWaalsContact O-CA 3.3Å; P278-P282 WeakPolarHBondContact O-CA 3.48Å; I280-P282 WeakPolarHBondContact O-CD 3.34Å; P282-Q287 HydrophobicContact CB-CB 3.94Å; P282-A288 HydrophobicContact CB-CB 4.08Å; P282-A288 HydrophobicContact CG-CB 4.3Å; P282-K291 HydrophobicContact CG-CD 3.86Å
283L93.7Very high95.3Very high125 Ų12569.3 Ų69.365%0.65435%0.35SS*.SBendtrans-84.4-14.2-178.7-53.7179000112.8P278 K281P278-L283 HydrophobicContact CB-CG 4.43Å; P278-L283 HydrophobicContact CG-CD1 4.01Å; P278-L283 HydrophobicContact CG-CG 4.17Å; K281-L283 PolarHBondContact O-N 2.82Å
284N95.2Very high95.1Very high82 Ų8266 Ų6644%0.43934%0.335SS..SBendtrans-159.6165.7-179.45968.9000112.3R286 Q287 A288N284-R286 PolarHBondContact O-N 3.37Å; N284-R286 WeakPolarHBondContact OD1-CB 3.29Å; N284-R286 PolarHBondContact OD1-N 3.08Å; N284-R286 VanDerWaalsContact OD1-N 3.14Å; N284-Q287 PolarHBondContact O-N 2.85Å; N284-Q287 VanDerWaalsContact O-N 3.16Å; N284-Q287 PolarHBondContact OD1-N 3.14Å; N284-A288 PolarHBondContact O-N 3.01Å; N284-A288 VanDerWaalsContact O-N 3.14Å
285S93.7Very high94.7Very high104 Ų10469.2 Ų69.273%0.72735%0.354SS*.Hα-helixtrans-60.3-26.8-177.8-43.40000114.3M289S285-M289 VanDerWaalsContact O-CB 3.28Å; S285-M289 WeakPolarHBondContact O-CB 3.27Å; S285-M289 PolarHBondContact O-N 3.04Å
286R94.3Very high94.3Very high203 Ų20368.7 Ų68.777%0.76635%0.352SS*.Hα-helixtrans-70.8-42.9176.7-177-178.4176.6-170.9-1111N284 M289 V290N284-R286 PolarHBondContact O-N 3.37Å; N284-R286 WeakPolarHBondContact OD1-CB 3.29Å; N284-R286 PolarHBondContact OD1-N 3.08Å; N284-R286 VanDerWaalsContact OD1-N 3.14Å; R286-M289 PolarHBondContact O-N 3.19Å; R286-V290 WeakPolarHBondContact O-CG2 3.4Å; R286-V290 PolarHBondContact O-N 2.81Å
287Q93.4Very high93.8Very high41 Ų4166.4 Ų66.419%0.19234%0.339CS..Hα-helixtrans-65.2-40.9174.8-70.7175.4-20.400111.6L252 P282 N284 V290 K291L252-Q287 HydrophobicContact CD1-CB 3.98Å; L252-Q287 HydrophobicContact CD1-CG 4.1Å; P282-Q287 HydrophobicContact CB-CB 3.94Å; N284-Q287 PolarHBondContact O-N 2.85Å; N284-Q287 VanDerWaalsContact O-N 3.16Å; N284-Q287 PolarHBondContact OD1-N 3.14Å; Q287-V290 PolarHBondContact O-N 2.76Å; Q287-K291 WeakPolarHBondContact O-CB 3.37Å; Q287-K291 PolarHBondContact O-N 3.16Å; Q287-K291 VanDerWaalsContact O-N 3.08Å
288A92.4Very high93.4Very high28 Ų2866 Ų6623%0.23134%0.338CS..Hα-helixtrans-62.8-40.6173.800000112.3P282 N284 K291 R292P282-A288 HydrophobicContact CB-CB 4.08Å; P282-A288 HydrophobicContact CG-CB 4.3Å; N284-A288 PolarHBondContact O-N 3.01Å; N284-A288 VanDerWaalsContact O-N 3.14Å; A288-K291 PolarHBondContact O-N 3.14Å; A288-R292 PolarHBondContact O-N 3.47Å
289M92.9Very high92.8Very high121 Ų12172.3 Ų72.360%0.59637%0.365SS*.Hα-helixtrans-63.9-45.5175.5179178.4-77.700112.4S285 R286 K291 R292 L293S285-M289 VanDerWaalsContact O-CB 3.28Å; S285-M289 WeakPolarHBondContact O-CB 3.27Å; S285-M289 PolarHBondContact O-N 3.04Å; R286-M289 PolarHBondContact O-N 3.19Å; M289-K291 VanDerWaalsContact C-N 3.33Å; M289-K291 PolarHBondContact O-N 3.13Å; M289-R292 PolarHBondContact O-N 2.98Å; M289-L293 HydrophobicContact CG-CD1 3.74Å; M289-L293 HydrophobicContact CG-CG 4.36Å; M289-L293 WeakPolarHBondContact O-CG 3.48Å; M289-L293 PolarHBondContact O-N 3.4Å
290V92.6Very high92.3Very high58 Ų5872.9 Ų72.935%0.35237%0.368SS..Hα-helixtrans-56-49.8174.9167.90000110.4R286 Q287 R292 L293 S294R286-V290 WeakPolarHBondContact O-CG2 3.4Å; R286-V290 PolarHBondContact O-N 2.81Å; Q287-V290 PolarHBondContact O-N 2.76Å; V290-R292 VanDerWaalsContact C-N 3.28Å; V290-R292 PolarHBondContact O-N 3.24Å; V290-L293 PolarHBondContact O-N 3.36Å; V290-L293 VanDerWaalsContact O-N 3.12Å; V290-S294 PolarHBondContact O-N 2.91Å
291K91.1Very high91.8Very high13 Ų1372.2 Ų72.26%0.05736%0.364CS..Hα-helixtrans-60.7-30178.1171.7176.9173.5163.80114.1E118 E119 T122 W279 I280 P282 Q287 A288 M289E118-K291 CarbonylContact C-O 3.55Å; E118-K291 HydrophobicContact CB-CG 4.29Å; E118-K291 WeakPolarHBondContact CB-O 3.33Å; E119-K291 HydrophobicContact CB-CG 4.1Å; E119-K291 PolarHBondContact N-O 2.77Å; T122-K291 WeakPolarHBondContact OG1-CE 3.31Å; T122-K291 PolarHBondContact OG1-NZ 3.06Å; W279-K291 WeakPolarHBondContact O-CD 3.45Å; W279-K291 WeakPolarHBondContact O-CE 3.35Å; W279-K291 PolarHBondContact O-NZ 3.02Å; I280-K291 PolarHBondContact O-NZ 3.1Å; P282-K291 HydrophobicContact CG-CD 3.86Å; Q287-K291 WeakPolarHBondContact O-CB 3.37Å; Q287-K291 PolarHBondContact O-N 3.16Å; Q287-K291 VanDerWaalsContact O-N 3.08Å; A288-K291 PolarHBondContact O-N 3.14Å; M289-K291 VanDerWaalsContact C-N 3.33Å; M289-K291 PolarHBondContact O-N 3.13Å
292R91.5Very high91.6Very high148 Ų14870.5 Ų70.556%0.55836%0.357SS*.Hα-helixtrans-78.4-32174.5-177171.6-63.5159.69.6113.2E119 A288 M289 V290E119-R292 IonicContact OE1-CZ 3.6Å; E119-R292 IonicContact OE1-NE 3.61Å; E119-R292 IonicContact OE1-NH2 2.66Å; E119-R292 PolarHBondContact OE1-NH2 3.3Å; E119-R292 WeakPolarHBondContact OE2-CG 3.25Å; E119-R292 IonicContact OE2-CZ 3.4Å; E119-R292 IonicContact OE2-NE 2.71Å; E119-R292 PolarHBondContact OE2-NE 3.3Å; E119-R292 IonicContact OE2-NH2 2.64Å; E119-R292 PolarHBondContact OE2-NH2 3.47Å; A288-R292 PolarHBondContact O-N 3.47Å; M289-R292 PolarHBondContact O-N 2.98Å; V290-R292 VanDerWaalsContact C-N 3.28Å; V290-R292 PolarHBondContact O-N 3.24Å
293L92.1Very high91.3Very high127 Ų12772.4 Ų72.467%0.66536%0.36SS*.Hα-helixtrans-88.9-28.8-176.5-65.9174.6000113.3M289 V290M289-L293 HydrophobicContact CG-CD1 3.74Å; M289-L293 HydrophobicContact CG-CG 4.36Å; M289-L293 WeakPolarHBondContact O-CG 3.48Å; M289-L293 PolarHBondContact O-N 3.4Å; V290-L293 PolarHBondContact O-N 3.36Å; V290-L293 VanDerWaalsContact O-N 3.12Å
294S94.1Very high91Very high20 Ų2068 Ų6814%0.1434%0.336CS..  trans-69.9133.3172.9-80.20000111.5C117 E118 N248 V290C117-S294 WeakPolarHBondContact CA-O 3.3Å; E118-S294 PolarHBondContact N-O 3.38Å; E118-S294 WeakPolarHBondContact OE1-CB 3.4Å; N248-S294 PolarHBondContact O-OG 2.81Å; V290-S294 PolarHBondContact O-N 2.91Å
295V91.6Very high90.5Very high66 Ų6664.9 Ų64.940%0.432%0.319SS..BIsolated β-bridgetrans-118.7142.7-175.7-680000111.4N248N248-V295 HydrophobicContact CB-CG2 4.15Å
296V90.3Very high90.1Very high9 Ų962 Ų626%0.05530%0.301CS..  trans-73.5134.7171.4175.20000108.8L116 A121 L215 L216 L298L116-V296 HydrophobicContact CB-CB 4.25Å; L116-V296 HydrophobicContact CD2-CB 4.09Å; L116-V296 HydrophobicContact CD2-CG1 4.27Å; L116-V296 HydrophobicContact CD2-CG2 3.87Å; L116-V296 HydrophobicContact CG-CB 4.35Å; L116-V296 HydrophobicContact CG-CG2 4.11Å; L116-V296 PolarHBondContact O-N 2.88Å; A121-V296 HydrophobicContact CB-CG2 4.37Å; L215-V296 WeakPolarHBondContact O-CG1 3.41Å; L216-V296 HydrophobicContact CD2-CG2 3.61Å; V296-L298 HydrophobicContact CB-CD2 4.49Å; V296-L298 HydrophobicContact CG1-CD2 3.9Å; V296-L298 HydrophobicContact CG1-CG 4.42Å; V296-L298 PolarHBondContact O-N 3.09Å
297N87.3Confident89.6Confident33 Ų3358.8 Ų58.818%0.17629%0.289CS..  trans-73.579.1175.7-173.5-20.5000110.1E244 E299 N300 F301E244-N297 PolarHBondContact O-ND2 2.92Å; N297-E299 PolarHBondContact O-N 3.01Å; N297-N300 HydrophobicContact CB-CB 4.43Å; N297-N300 PolarHBondContact ND2-ND2 3.47Å; N297-N300 VanDerWaalsContact ND2-ND2 3.18Å; N297-N300 PolarHBondContact O-N 2.61Å; N297-N300 PolarHBondContact OD1-N 2.76Å; N297-N300 VanDerWaalsContact OD1-N 3.07Å; N297-F301 PolarHBondContact O-N 3.44Å
298L89.1Confident88.9Confident10 Ų1059.6 Ų59.65%0.05229%0.29CS..Hα-helixtrans-66.5-21.7-176.1-75.9-170.3000113.7K113 S115 L116 V296 F301 K302K113-L298 HydrophobicContact CB-CD1 4.07Å; K113-L298 WeakPolarHBondContact O-CD1 3.36Å; S115-L298 VanDerWaalsContact C-CD1 3.49Å; L116-L298 HydrophobicContact CB-CD1 3.84Å; L116-L298 HydrophobicContact CB-CD2 4.12Å; L116-L298 HydrophobicContact CB-CG 4.07Å; L116-L298 HydrophobicContact CD2-CD2 4.25Å; V296-L298 HydrophobicContact CB-CD2 4.49Å; V296-L298 HydrophobicContact CG1-CD2 3.9Å; V296-L298 HydrophobicContact CG1-CG 4.42Å; V296-L298 PolarHBondContact O-N 3.09Å; L298-F301 HydrophobicContact CD2-CB 4.13Å; L298-F301 HydrophobicContact CD2-CD1 4.22Å; L298-F301 HydrophobicContact CD2-CG 4.23Å; L298-K302 WeakPolarHBondContact O-CB 3.43Å; L298-K302 WeakPolarHBondContact O-CG 3.39Å; L298-K302 PolarHBondContact O-N 2.93Å
299E87.1Confident88.1Confident163 Ų16362.9 Ų62.976%0.76230%0.297SS*.Hα-helixtrans-66.3-50.8172.8-63.8-165.3162.200110.6N297 K302 K303N297-E299 PolarHBondContact O-N 3.01Å; E299-K302 PolarHBondContact O-N 3.39Å; E299-K303 WeakPolarHBondContact O-CB 3.38Å; E299-K303 PolarHBondContact O-N 3.39Å
300N86.3Confident87.1Confident12 Ų1266.9 Ų66.96%0.06431%0.305CS..Hα-helixtrans-64.9-38.2173.8-85.8-21.5000112.1E244 F245 N297 K303 Q304E244-N300 PolarHBondContact O-ND2 3.06Å; F245-N300 HydrophobicContact CD1-CB 3.87Å; F245-N300 HydrophobicContact CE1-CB 4.01Å; N297-N300 HydrophobicContact CB-CB 4.43Å; N297-N300 PolarHBondContact ND2-ND2 3.47Å; N297-N300 VanDerWaalsContact ND2-ND2 3.18Å; N297-N300 PolarHBondContact O-N 2.61Å; N297-N300 PolarHBondContact OD1-N 2.76Å; N297-N300 VanDerWaalsContact OD1-N 3.07Å; N300-K303 PolarHBondContact O-N 2.92Å; N300-K303 WeakPolarHBondContact OD1-CD 3.43Å; N300-K303 WeakPolarHBondContact OD1-CE 3.38Å; N300-K303 PolarHBondContact OD1-NZ 2.59Å; N300-Q304 WeakPolarHBondContact O-CB 3.49Å; N300-Q304 WeakPolarHBondContact O-CG 3.17Å; N300-Q304 PolarHBondContact O-N 3.48Å
301F89.2Confident85.9Confident1 Ų168.7 Ų68.70%0.00431%0.308CS..Hα-helixtrans-54.9-56.2172.9-174.7-92.2000111.8F107 L110 A111 N297 L298 Q304 Y305F107-F301 HydrophobicContact CB-CZ 4.28Å; F107-F301 AromaticContact CD1-CE2 3.71Å; F107-F301 HydrophobicContact CD1-CE2 3.71Å; F107-F301 AromaticContact CD1-CZ 3.53Å; F107-F301 HydrophobicContact CD1-CZ 3.53Å; F107-F301 AromaticContact CE1-CE2 3.98Å; F107-F301 HydrophobicContact CE1-CE2 3.98Å; F107-F301 HydrophobicContact CE1-CZ 4.23Å; F107-F301 HydrophobicContact CG-CZ 4.25Å; L110-F301 HydrophobicContact CB-CE1 3.99Å; L110-F301 HydrophobicContact CB-CZ 4.03Å; A111-F301 HydrophobicContact CB-CE1 4.07Å; N297-F301 PolarHBondContact O-N 3.44Å; L298-F301 HydrophobicContact CD2-CB 4.13Å; L298-F301 HydrophobicContact CD2-CD1 4.22Å; L298-F301 HydrophobicContact CD2-CG 4.23Å; F301-Q304 PolarHBondContact O-N 3.25Å; F301-Y305 WeakPolarHBondContact O-CB 3.48Å; F301-Y305 PolarHBondContact O-N 2.86Å
302K90.9Very high84.6Confident73 Ų7373.1 Ų73.132%0.31733%0.332SS..Hα-helixtrans-62.9-45.9-179.2-68.9171-167-173.80111.7A111 K113 L298 E299 Q304 A306A111-K302 HydrophobicContact CB-CG 4.5Å; A111-K302 WeakPolarHBondContact O-CD 3.31Å; A111-K302 WeakPolarHBondContact O-CE 3.37Å; K113-K302 WeakPolarHBondContact O-CE 3.28Å; K113-K302 PolarHBondContact O-NZ 3.34Å; L298-K302 WeakPolarHBondContact O-CB 3.43Å; L298-K302 WeakPolarHBondContact O-CG 3.39Å; L298-K302 PolarHBondContact O-N 2.93Å; E299-K302 PolarHBondContact O-N 3.39Å; K302-Q304 PolarHBondContact O-N 3.37Å; K302-A306 WeakPolarHBondContact O-CB 3.4Å; K302-A306 PolarHBondContact O-N 2.81Å
303K89Confident83.4Confident83 Ų8369.2 Ų69.236%0.36133%0.328SS..Hα-helixtrans-53.6-48.8176.4170.7-179.2154-157.60111.5E244 E299 N300 R307E244-K303 IonicContact OE1-NZ 2.84Å; E244-K303 PolarHBondContact OE1-NZ 3.23Å; E299-K303 WeakPolarHBondContact O-CB 3.38Å; E299-K303 PolarHBondContact O-N 3.39Å; N300-K303 PolarHBondContact O-N 2.92Å; N300-K303 WeakPolarHBondContact OD1-CD 3.43Å; N300-K303 WeakPolarHBondContact OD1-CE 3.38Å; N300-K303 PolarHBondContact OD1-NZ 2.59Å; K303-R307 VanDerWaalsContact O-CD 3.31Å; K303-R307 WeakPolarHBondContact O-CD 3.31Å; K303-R307 WeakPolarHBondContact O-CG 3.42Å; K303-R307 PolarHBondContact O-N 3.49Å
304Q87.3Confident81.8Confident32 Ų3270.2 Ų70.215%0.1533%0.327CS..Hα-helixtrans-82.5-39.1-175.7-56.9-73.740.200112.6I219 F245 N300 F301 K302 R307 R308I219-Q304 HydrophobicContact CG2-CB 4.42Å; I219-Q304 HydrophobicContact CG2-CG 3.83Å; F245-Q304 HydrophobicContact CE1-CG 4.28Å; N300-Q304 WeakPolarHBondContact O-CB 3.49Å; N300-Q304 WeakPolarHBondContact O-CG 3.17Å; N300-Q304 PolarHBondContact O-N 3.48Å; F301-Q304 PolarHBondContact O-N 3.25Å; K302-Q304 PolarHBondContact O-N 3.37Å; Q304-R307 WeakPolarHBondContact O-CB 3.33Å; Q304-R307 PolarHBondContact O-N 2.87Å; Q304-R308 WeakPolarHBondContact O-CG 3.2Å; Q304-R308 PolarHBondContact O-N 2.96Å
305Y84.6Confident79.8Confident18 Ų1877 Ų777%0.07135%0.349CS..Hα-helixtrans-63.6-41.5174.7-176.3-109.6000111.8E105 F107 D108 A111 F301 R307 R308 R309E105-Y305 PolarHBondContact OE2-OH 3.16Å; F107-Y305 HydrophobicContact CB-CD2 4.21Å; F107-Y305 HydrophobicContact CB-CE2 3.56Å; F107-Y305 HydrophobicContact CG-CE2 4.5Å; D108-Y305 PolarHBondContact N-OH 2.9Å; D108-Y305 WeakPolarHBondContact OD1-CE1 3.35Å; D108-Y305 PolarHBondContact OD1-OH 3.37Å; A111-Y305 HydrophobicContact CB-CD1 3.92Å; A111-Y305 HydrophobicContact CB-CE1 4.22Å; F301-Y305 WeakPolarHBondContact O-CB 3.48Å; F301-Y305 PolarHBondContact O-N 2.86Å; Y305-R307 PolarHBondContact O-N 3.28Å; Y305-R308 WeakPolarHBondContact O-CB 3.4Å; Y305-R308 PolarHBondContact O-N 3.26Å; Y305-R309 HydrophobicContact CE1-CG 4.42Å; Y305-R309 PolarHBondContact O-N 3.28Å; Y305-R309 VanDerWaalsContact O-N 3.07Å; Y305-R309 PolarHBondContact OH-NH1 3.27Å
306A84.6Confident78.2Confident42 Ų4278.2 Ų78.235%0.34735%0.353SS..Hα-helixtrans-58.9-47.917000000111.2K302 R308 R309 W310K302-A306 WeakPolarHBondContact O-CB 3.4Å; K302-A306 PolarHBondContact O-N 2.81Å; A306-R308 VanDerWaalsContact C-N 3.28Å; A306-R308 PolarHBondContact O-N 3.37Å; A306-R309 PolarHBondContact O-N 3.42Å; A306-W310 WeakPolarHBondContact O-CB 3.18Å; A306-W310 PolarHBondContact O-N 2.9Å
307R83.9Confident76.5Confident137 Ų13781.6 Ų81.652%0.51737%0.373SS..Hα-helixtrans-56.2-37.5175.5-76.7163.4168.2-168.4-6.3113K303 Q304 Y305 K311K303-R307 VanDerWaalsContact O-CD 3.31Å; K303-R307 WeakPolarHBondContact O-CD 3.31Å; K303-R307 WeakPolarHBondContact O-CG 3.42Å; K303-R307 PolarHBondContact O-N 3.49Å; Q304-R307 WeakPolarHBondContact O-CB 3.33Å; Q304-R307 PolarHBondContact O-N 2.87Å; Y305-R307 PolarHBondContact O-N 3.28Å; R307-K311 WeakPolarHBondContact O-CB 3.45Å; R307-K311 PolarHBondContact O-N 2.82Å
308R78.1Confident74.8Confident57 Ų5782.1 Ų82.122%0.21538%0.382CS..Hα-helixtrans-62.4-54.4173.1-66.2177.5-168.7-117.711.1111.5E187 G218 I219 S220 Q304 Y305 A306 W310 K311 L312E187-R308 IonicContact OE1-NH1 2.9Å; E187-R308 IonicContact OE2-CZ 3.17Å; E187-R308 IonicContact OE2-NH1 3.18Å; E187-R308 PolarHBondContact OE2-NH1 3.31Å; G218-R308 PolarHBondContact O-NE 3.39Å; G218-R308 PolarHBondContact O-NH2 2.92Å; I219-R308 PolarHBondContact O-NH2 3.3Å; S220-R308 VanDerWaalsContact N-NH2 3.17Å; Q304-R308 WeakPolarHBondContact O-CG 3.2Å; Q304-R308 PolarHBondContact O-N 2.96Å; Y305-R308 WeakPolarHBondContact O-CB 3.4Å; Y305-R308 PolarHBondContact O-N 3.26Å; A306-R308 VanDerWaalsContact C-N 3.28Å; A306-R308 PolarHBondContact O-N 3.37Å; R308-W310 VanDerWaalsContact C-N 3.28Å; R308-W310 PolarHBondContact O-N 2.96Å; R308-K311 PolarHBondContact O-N 2.93Å; R308-K311 VanDerWaalsContact O-N 3.16Å; R308-L312 PolarHBondContact O-N 3.18Å
309R77Confident72.9Confident98 Ų9886.4 Ų86.437%0.3740%0.404SS..Hα-helixtrans-58.6-39.3178.8-66.7179.784.392-12.8111.5E105 D108 Y305 A306 L312 S313E105-R309 IonicContact OE1-CZ 3.94Å; E105-R309 IonicContact OE1-NH1 3.6Å; E105-R309 PolarHBondContact OE1-NH1 3.5Å; E105-R309 IonicContact OE2-NH1 2.81Å; D108-R309 IonicContact OD1-CZ 2.88Å; D108-R309 IonicContact OD1-NE 2.63Å; D108-R309 IonicContact OD1-NH1 3.55Å; D108-R309 PolarHBondContact OD1-NH1 3.07Å; D108-R309 IonicContact OD1-NH2 2.69Å; D108-R309 PolarHBondContact OD1-NH2 2.85Å; D108-R309 IonicContact OD2-CZ 2.8Å; D108-R309 IonicContact OD2-NH1 3.58Å; D108-R309 PolarHBondContact OD2-NH1 2.85Å; D108-R309 VanDerWaalsContact OD2-NH1 3.07Å; D108-R309 IonicContact OD2-NH2 3.39Å; D108-R309 PolarHBondContact OD2-NH2 3.21Å; Y305-R309 HydrophobicContact CE1-CG 4.42Å; Y305-R309 PolarHBondContact O-N 3.28Å; Y305-R309 VanDerWaalsContact O-N 3.07Å; Y305-R309 PolarHBondContact OH-NH1 3.27Å; A306-R309 PolarHBondContact O-N 3.42Å; R309-L312 PolarHBondContact O-N 2.83Å; R309-S313 PolarHBondContact O-N 2.9Å; R309-S313 PolarHBondContact O-OG 3.21Å
310W71.7Confident71.2Confident204 Ų20481.8 Ų81.877%0.77339%0.389SS*.Hα-helixtrans-69.2-41.5174.5-81.676.9000113.5A306 R308 L312 S313 F314A306-W310 WeakPolarHBondContact O-CB 3.18Å; A306-W310 PolarHBondContact O-N 2.9Å; R308-W310 VanDerWaalsContact C-N 3.28Å; R308-W310 PolarHBondContact O-N 2.96Å; W310-L312 VanDerWaalsContact C-N 3.26Å; W310-L312 PolarHBondContact O-N 3Å; W310-S313 PolarHBondContact O-N 2.99Å; W310-F314 VanDerWaalsContact O-CB 3.28Å; W310-F314 WeakPolarHBondContact O-CB 3.43Å; W310-F314 PolarHBondContact O-N 3.43Å
311K68Low69.7Low96 Ų9685.1 Ų85.142%0.41741%0.407SS..Hα-helixtrans-58.6-38.5172-84.7-167.2177.4-171.40110.9E225 R307 R308 R315E225-K311 IonicContact OE1-NZ 3.24Å; E225-K311 PolarHBondContact OE1-NZ 3.04Å; E225-K311 IonicContact OE2-NZ 3.5Å; E225-K311 PolarHBondContact OE2-NZ 3.15Å; R307-K311 WeakPolarHBondContact O-CB 3.45Å; R307-K311 PolarHBondContact O-N 2.82Å; R308-K311 PolarHBondContact O-N 2.93Å; R308-K311 VanDerWaalsContact O-N 3.16Å; K311-R315 VanDerWaalsContact O-CG 3.3Å; K311-R315 WeakPolarHBondContact O-CG 3.41Å; K311-R315 PolarHBondContact O-N 3.35Å; K311-R315 VanDerWaalsContact O-N 3.14Å
312L62.4Low67.9Low106 Ų10690.3 Ų90.356%0.55543%0.431SS*.Hα-helixtrans-67.3-53.9176.4-176.562.5000112R308 R309 W310 F314 R315 I316R308-L312 PolarHBondContact O-N 3.18Å; R309-L312 PolarHBondContact O-N 2.83Å; W310-L312 VanDerWaalsContact C-N 3.26Å; W310-L312 PolarHBondContact O-N 3Å; L312-F314 VanDerWaalsContact C-N 3.29Å; L312-F314 PolarHBondContact O-N 2.71Å; L312-R315 WeakPolarHBondContact O-CB 3.28Å; L312-R315 PolarHBondContact O-N 3.43Å; L312-R315 VanDerWaalsContact O-N 3.1Å; L312-I316 HydrophobicContact CG-CD1 4.35Å; L312-I316 PolarHBondContact O-N 3.08Å; L312-I316 VanDerWaalsContact O-N 3.07Å
313S67.3Low65.9Low67 Ų6790.9 Ų90.947%0.46944%0.437SS..Hα-helixtrans-57.7-39.5177.3-65.30000112.6R309 W310 I316 V317R309-S313 PolarHBondContact O-N 2.9Å; R309-S313 PolarHBondContact O-OG 3.21Å; W310-S313 PolarHBondContact O-N 2.99Å; S313-I316 PolarHBondContact O-N 3.24Å; S313-V317 WeakPolarHBondContact O-CG2 3.46Å; S313-V317 PolarHBondContact O-N 2.75Å
314F58.7Low64.4Low147 Ų14789.8 Ų89.865%0.64544%0.438SS*.Hα-helixtrans-64.8-41175.6-176.4-94.9000112.4W310 L312 I316 V317 A318W310-F314 VanDerWaalsContact O-CB 3.28Å; W310-F314 WeakPolarHBondContact O-CB 3.43Å; W310-F314 PolarHBondContact O-N 3.43Å; L312-F314 VanDerWaalsContact C-N 3.29Å; L312-F314 PolarHBondContact O-N 2.71Å; F314-I316 VanDerWaalsContact C-N 3.33Å; F314-I316 PolarHBondContact O-N 2.88Å; F314-V317 PolarHBondContact O-N 3.18Å; F314-A318 HydrophobicContact CE1-CB 4.47Å; F314-A318 WeakPolarHBondContact O-CB 3.39Å; F314-A318 PolarHBondContact O-N 3.43Å
315R51.1Low63.3Low162 Ų16297 Ų9761%0.61146%0.464SS*.Hα-helixtrans-60.5-41.5174.3-76.3170.2175.8176-0.4111.5K311 L312 L319K311-R315 VanDerWaalsContact O-CG 3.3Å; K311-R315 WeakPolarHBondContact O-CG 3.41Å; K311-R315 PolarHBondContact O-N 3.35Å; K311-R315 VanDerWaalsContact O-N 3.14Å; L312-R315 WeakPolarHBondContact O-CB 3.28Å; L312-R315 PolarHBondContact O-N 3.43Å; L312-R315 VanDerWaalsContact O-N 3.1Å; R315-L319 WeakPolarHBondContact O-CB 3.31Å; R315-L319 PolarHBondContact O-N 3.17Å
316I57.6Low62.4Low93 Ų93100.5 Ų100.548%0.47748%0.482SS..Hα-helixtrans-63.6-51.4175.5-64.1167.5000110.6L312 S313 F314 A318 L319 C320L312-I316 HydrophobicContact CG-CD1 4.35Å; L312-I316 PolarHBondContact O-N 3.08Å; L312-I316 VanDerWaalsContact O-N 3.07Å; S313-I316 PolarHBondContact O-N 3.24Å; F314-I316 VanDerWaalsContact C-N 3.33Å; F314-I316 PolarHBondContact O-N 2.88Å; I316-A318 VanDerWaalsContact C-N 3.33Å; I316-A318 PolarHBondContact O-N 3.3Å; I316-L319 WeakPolarHBondContact O-CB 3.45Å; I316-L319 PolarHBondContact O-N 3.29Å; I316-L319 VanDerWaalsContact O-N 3.16Å; I316-C320 PolarHBondContact O-N 3.33Å; I316-C320 PolarHBondContact O-SG 2.97Å; I316-C320 VanDerWaalsContact O-SG 3.34Å
317V55Low60.9Low80 Ų80104.9 Ų104.949%0.48550%0.497SS..Hα-helixtrans-62.2-38.5179.3170.50000111.9S313 F314 N321S313-V317 WeakPolarHBondContact O-CG2 3.46Å; S313-V317 PolarHBondContact O-N 2.75Å; F314-V317 PolarHBondContact O-N 3.18Å; V317-N321 WeakPolarHBondContact CG1-ND2 3.5Å; V317-N321 WeakPolarHBondContact O-CB 3.37Å; V317-N321 PolarHBondContact O-N 3.01Å; V317-N321 PolarHBondContact O-ND2 2.97Å
318A51.4Low59.8Low43 Ų43105.6 Ų105.636%0.35550%0.504SS..Hα-helixtrans-64.7-41.6174.700000111.9F314 I316 N321 H322F314-A318 HydrophobicContact CE1-CB 4.47Å; F314-A318 WeakPolarHBondContact O-CB 3.39Å; F314-A318 PolarHBondContact O-N 3.43Å; I316-A318 VanDerWaalsContact C-N 3.33Å; I316-A318 PolarHBondContact O-N 3.3Å; A318-N321 PolarHBondContact O-N 3.12Å; A318-H322 WeakPolarHBondContact O-CB 3.22Å; A318-H322 PolarHBondContact O-N 2.62Å
319L49.6Very low58.7Low100 Ų100111.1 Ų111.152%0.52453%0.53SS..Hα-helixtrans-64-47.2174.9-17962.8000111.6R315 I316 N321 H322 L323R315-L319 WeakPolarHBondContact O-CB 3.31Å; R315-L319 PolarHBondContact O-N 3.17Å; I316-L319 WeakPolarHBondContact O-CB 3.45Å; I316-L319 PolarHBondContact O-N 3.29Å; I316-L319 VanDerWaalsContact O-N 3.16Å; L319-N321 VanDerWaalsContact C-N 3.33Å; L319-N321 PolarHBondContact O-N 2.9Å; L319-H322 WeakPolarHBondContact O-CB 3.46Å; L319-H322 PolarHBondContact O-N 3.48Å; L319-H322 VanDerWaalsContact O-N 3.12Å; L319-L323 HydrophobicContact CD1-CD1 4.3Å; L319-L323 HydrophobicContact CD1-CG 4.3Å; L319-L323 HydrophobicContact CG-CD1 4.06Å; L319-L323 HydrophobicContact CG-CG 4.49Å; L319-L323 WeakPolarHBondContact O-CB 3.18Å; L319-L323 WeakPolarHBondContact O-CG 3.18Å; L319-L323 PolarHBondContact O-N 3.21Å
320C52.3Low57.3Low66 Ų66109.6 Ų109.645%0.44655%0.545SS..Hα-helixtrans-59.8-41.4176.1-680000112.2I316 T324I316-C320 PolarHBondContact O-N 3.33Å; I316-C320 PolarHBondContact O-SG 2.97Å; I316-C320 VanDerWaalsContact O-SG 3.34Å; C320-T324 VanDerWaalsContact O-CB 3.28Å; C320-T324 WeakPolarHBondContact O-CB 3.38Å; C320-T324 PolarHBondContact O-N 2.83Å; C320-T324 PolarHBondContact O-OG1 3.23Å
321N53.5Low56Low82 Ų82107.3 Ų107.344%0.43954%0.543SS..Hα-helixtrans-65.7-38.1173.4-82.3-59.4000112.7V317 A318 L319 R325V317-N321 WeakPolarHBondContact CG1-ND2 3.5Å; V317-N321 WeakPolarHBondContact O-CB 3.37Å; V317-N321 PolarHBondContact O-N 3.01Å; V317-N321 PolarHBondContact O-ND2 2.97Å; A318-N321 PolarHBondContact O-N 3.12Å; L319-N321 VanDerWaalsContact C-N 3.33Å; L319-N321 PolarHBondContact O-N 2.9Å; N321-R325 WeakPolarHBondContact O-CB 3.5Å; N321-R325 VanDerWaalsContact O-CG 3.26Å; N321-R325 WeakPolarHBondContact O-CG 3.42Å; N321-R325 PolarHBondContact O-N 3.04Å
322H52.6Low54.8Low110 Ų110111.6 Ų111.651%0.50956%0.561SS.*Hα-helixtrans-66.4-47.8176.3-175.386.2000111.6A318 L319 T324 R325 I326A318-H322 WeakPolarHBondContact O-CB 3.22Å; A318-H322 PolarHBondContact O-N 2.62Å; L319-H322 WeakPolarHBondContact O-CB 3.46Å; L319-H322 PolarHBondContact O-N 3.48Å; L319-H322 VanDerWaalsContact O-N 3.12Å; H322-T324 VanDerWaalsContact C-N 3.35Å; H322-T324 PolarHBondContact O-N 3.24Å; H322-R325 WeakPolarHBondContact O-CB 3.46Å; H322-R325 PolarHBondContact O-N 2.99Å; H322-R325 VanDerWaalsContact O-N 3.15Å; H322-I326 WeakPolarHBondContact NE2-CD1 3.27Å; H322-I326 PolarHBondContact O-N 3.35Å
323L48.2Very low53.6Low85 Ų85114.1 Ų114.145%0.44557%0.574SS.*Hα-helixtrans-59.6-43.8174.4-69.5170.8000111.4L319 R325 I326 M327L319-L323 HydrophobicContact CD1-CD1 4.3Å; L319-L323 HydrophobicContact CD1-CG 4.3Å; L319-L323 HydrophobicContact CG-CD1 4.06Å; L319-L323 HydrophobicContact CG-CG 4.49Å; L319-L323 WeakPolarHBondContact O-CB 3.18Å; L319-L323 WeakPolarHBondContact O-CG 3.18Å; L319-L323 PolarHBondContact O-N 3.21Å; L323-R325 VanDerWaalsContact C-N 3.31Å; L323-R325 PolarHBondContact O-N 3.48Å; L323-I326 WeakPolarHBondContact O-CB 3.1Å; L323-I326 PolarHBondContact O-N 2.71Å; L323-I326 VanDerWaalsContact O-N 3.08Å; L323-M327 WeakPolarHBondContact O-CG 3.36Å; L323-M327 PolarHBondContact O-N 3.42Å
324T58.1Low52.3Low61 Ų61116.3 Ų116.337%0.37459%0.587SS.*Hα-helixtrans-61.1-38.1175.4-60.30000112C320 H322 K328C320-T324 VanDerWaalsContact O-CB 3.28Å; C320-T324 WeakPolarHBondContact O-CB 3.38Å; C320-T324 PolarHBondContact O-N 2.83Å; C320-T324 PolarHBondContact O-OG1 3.23Å; H322-T324 VanDerWaalsContact C-N 3.35Å; H322-T324 PolarHBondContact O-N 3.24Å; T324-K328 HydrophobicContact CG2-CD 4.23Å; T324-K328 WeakPolarHBondContact O-CB 3.5Å; T324-K328 WeakPolarHBondContact O-CG 3.15Å; T324-K328 PolarHBondContact O-N 3.32Å
325R64.6Low51.2Low183 Ų183114.2 Ų114.269%0.69160%0.597SS**Hα-helixtrans-68.3-33.4173.7-74.1168.2178.9-174.20.6112.7N321 H322 L323 K329N321-R325 WeakPolarHBondContact O-CB 3.5Å; N321-R325 VanDerWaalsContact O-CG 3.26Å; N321-R325 WeakPolarHBondContact O-CG 3.42Å; N321-R325 PolarHBondContact O-N 3.04Å; H322-R325 WeakPolarHBondContact O-CB 3.46Å; H322-R325 PolarHBondContact O-N 2.99Å; H322-R325 VanDerWaalsContact O-N 3.15Å; L323-R325 VanDerWaalsContact C-N 3.31Å; L323-R325 PolarHBondContact O-N 3.48Å; R325-K329 WeakPolarHBondContact O-CG 3.15Å; R325-K329 PolarHBondContact O-N 2.95Å; R325-K329 VanDerWaalsContact O-N 3.16Å
326I64.9Low50.5Low91 Ų91115.3 Ų115.347%0.46761%0.609SS.*Hα-helixtrans-68.1-49.6172.3-70.1170.2000110.3H322 L323 K328 K329 G330H322-I326 WeakPolarHBondContact NE2-CD1 3.27Å; H322-I326 PolarHBondContact O-N 3.35Å; L323-I326 WeakPolarHBondContact O-CB 3.1Å; L323-I326 PolarHBondContact O-N 2.71Å; L323-I326 VanDerWaalsContact O-N 3.08Å; I326-K328 VanDerWaalsContact C-N 3.34Å; I326-K328 PolarHBondContact O-N 3.25Å; I326-K329 CarbonylContact O-C 3.38Å; I326-K329 WeakPolarHBondContact O-CA 3.13Å; I326-K329 WeakPolarHBondContact O-CB 3.32Å; I326-K329 PolarHBondContact O-N 3.07Å; I326-G330 PolarHBondContact O-N 2.93Å
327M52.9Low49.4Very low134 Ų134116.6 Ų116.666%0.6662%0.617SS**Hα-helixtrans-59.1-43.9179-67.717273.900111.6L323 K329 G330 Q331L323-M327 WeakPolarHBondContact O-CG 3.36Å; L323-M327 PolarHBondContact O-N 3.42Å; M327-K329 VanDerWaalsContact C-N 3.28Å; M327-K329 PolarHBondContact O-N 3.18Å; M327-G330 PolarHBondContact O-N 2.92Å; M327-G330 VanDerWaalsContact O-N 3.12Å; M327-Q331 PolarHBondContact O-N 3.28Å; M327-Q331 VanDerWaalsContact O-N 3.16Å
328K60.4Low48.3Very low153 Ų153122 Ų12267%0.66564%0.637SS**Hα-helixtrans-67.2-22.2174.4-72-177.4178-173.40114.1T324 I326T324-K328 HydrophobicContact CG2-CD 4.23Å; T324-K328 WeakPolarHBondContact O-CB 3.5Å; T324-K328 WeakPolarHBondContact O-CG 3.15Å; T324-K328 PolarHBondContact O-N 3.32Å; I326-K328 VanDerWaalsContact C-N 3.34Å; I326-K328 PolarHBondContact O-N 3.25Å
329K55Low47.4Very low173 Ų173129 Ų12975%0.75265%0.654SS**Hα-helixtrans-80.7-32.2169-80.1-175.8174-171.50112.5R325 I326 M327 Q331R325-K329 WeakPolarHBondContact O-CG 3.15Å; R325-K329 PolarHBondContact O-N 2.95Å; R325-K329 VanDerWaalsContact O-N 3.16Å; I326-K329 CarbonylContact O-C 3.38Å; I326-K329 WeakPolarHBondContact O-CA 3.13Å; I326-K329 WeakPolarHBondContact O-CB 3.32Å; I326-K329 PolarHBondContact O-N 3.07Å; M327-K329 VanDerWaalsContact C-N 3.28Å; M327-K329 PolarHBondContact O-N 3.18Å; K329-Q331 VanDerWaalsContact C-N 3.31Å; K329-Q331 PolarHBondContact O-N 2.89Å
330G47.4Very low46.4Very low66 Ų66131 Ų13168%0.6867%0.665SS**Hα-helixtrans-71.5-19.5176.200000114.5I326 M327 K332I326-G330 PolarHBondContact O-N 2.93Å; M327-G330 PolarHBondContact O-N 2.92Å; M327-G330 VanDerWaalsContact O-N 3.12Å; G330-K332 VanDerWaalsContact C-N 3.3Å; G330-K332 PolarHBondContact O-N 3.29Å
331Q45.3Very low45.3Very low156 Ų156134.4 Ų134.473%0.72969%0.688SS**THydrogen-bonded Turntrans-86.919.9178.8-74.5-176.5-39.600114.9M327 K329 L333M327-Q331 PolarHBondContact O-N 3.28Å; M327-Q331 VanDerWaalsContact O-N 3.16Å; K329-Q331 VanDerWaalsContact C-N 3.31Å; K329-Q331 PolarHBondContact O-N 2.89Å; Q331-L333 PolarHBondContact O-N 2.75Å
332K42.8Very low44.2Very low186 Ų186139.2 Ų139.281%0.80971%0.708SS**  trans-86.387.1164.5-79.1-157.1171-163.10110.7G330G330-K332 VanDerWaalsContact C-N 3.3Å; G330-K332 PolarHBondContact O-N 3.29Å
333L37.8Very low43.1Very low158 Ų158139.1 Ų139.183%0.82772%0.72SS**PPolyproline II helixtrans-61.6149.3159.7-72.9161.8000109.9Q331Q331-L333 PolarHBondContact O-N 2.75Å
334P38.4Very low42.2Very low114 Ų114141.8 Ų141.874%0.7473%0.734SS**PPolyproline II helixtrans-61.3147.5166-17.131.3000110.5
335A36.9Very low40.9Very low102 Ų102146.1 Ų146.184%0.84375%0.75SS**PPolyproline II helixtrans-71.614216600000109.4
336E35.8Very low39.3Very low186 Ų186146.1 Ų146.187%0.86976%0.758SS**PPolyproline II helixtrans-76.9146.7-175.7-65.8-176.1134.400112.8Q338E336-Q338 PolarHBondContact O-N 2.84Å; E336-Q338 VanDerWaalsContact O-N 3.13Å
337D35Very low37.8Very low120 Ų120149.3 Ų149.364%0.64277%0.771SS**  trans-79.485.2-176.7-174.653.1000110.7R339D337-R339 PolarHBondContact O-N 3.47Å; D337-R339 IonicContact OD2-CZ 2.9Å; D337-R339 IonicContact OD2-NE 2.74Å; D337-R339 PolarHBondContact OD2-NE 2.93Å; D337-R339 IonicContact OD2-NH2 3.65Å; D337-R339 PolarHBondContact OD2-NH2 3.44Å
338Q31.9Very low36.9Very low193 Ų193150.4 Ų150.490%0.90278%0.775SS**  trans-76.8107.5174.1-75.7-169.1-17.800111.1E336E336-Q338 PolarHBondContact O-N 2.84Å; E336-Q338 VanDerWaalsContact O-N 3.13Å
339R32Very low35.6Very low190 Ų190147.8 Ų147.872%0.71777%0.767SS**  trans-103.5123.3165.7-92.6175.3-81.3146.4-1.7111.1D337D337-R339 PolarHBondContact O-N 3.47Å; D337-R339 IonicContact OD2-CZ 2.9Å; D337-R339 IonicContact OD2-NE 2.74Å; D337-R339 PolarHBondContact OD2-NE 2.93Å; D337-R339 IonicContact OD2-NH2 3.65Å; D337-R339 PolarHBondContact OD2-NH2 3.44Å
340D29.1Very low34.5Very low141 Ų141145.4 Ų145.475%0.75476%0.762SS**  trans36.7113.4145.1-45.8-38.3000119.8
341C28.5Very low34Very low138 Ų138150.5 Ų150.593%0.93277%0.765SS**  trans-129.5132139.4-81.30000107.7
342E30.7Very low33.4Very low183 Ų183154 Ų15486%0.85577%0.772SS**  trans-89.9-174.4-175.8-61.3179.5113.500113
343S29.2Very low32.9Very low109 Ų109156.5 Ų156.576%0.76278%0.776SS**  trans76.4137.4174.676.80000116.8
344D30Very low33.2Very low140 Ų140153.7 Ų153.775%0.74977%0.767SS**  cis-162.8170.7-16.7-120.8-40.9000111.9
345Q30Very low33Very low152 Ų152157.4 Ų157.471%0.7177%0.772SS**  trans68.9111.8162.5-70.8154.430.300117.9
346E30.7Very low32.9Very low184 Ų184158.6 Ų158.686%0.8677%0.769SS**  88.8122.988.5-78177.5173.400114.6
347E33.4Very low32.9Very low158 Ų158161.7 Ų161.774%0.73877%0.773SS**  cis-125.2-96.3-17.8-164.6-113.3134.300112.4I349E347-I349 PolarHBondContact OE1-N 3.03Å; E347-I349 PolarHBondContact OE2-N 2.7Å; E347-I349 VanDerWaalsContact OE2-N 3.08Å
348E34.5Very low33.2Very low156 Ų156165.6 Ų165.673%0.72978%0.784SS**  cis-139.6124.2-11.1-155.2-136.3-136.500111.5
349I33.3Very low33.7Very low98 Ų98168.4 Ų168.450%0.50379%0.786SS.*  trans62107.2143.2-77.6-178.2000121.4E347E347-I349 PolarHBondContact OE1-N 3.03Å; E347-I349 PolarHBondContact OE2-N 2.7Å; E347-I349 VanDerWaalsContact OE2-N 3.08Å
350L32.2Very low34Very low124 Ų124165 Ų16565%0.64979%0.792SS**  trans89.3127.7131.9-94.153.2000124.8
351K36.3Very low34.5Very low172 Ų172163.7 Ų163.775%0.74879%0.793SS**  trans78.281.6137.3-74.2162.1-172.3167.20121.1
352R33.1Very low35.2Very low229 Ų229163.4 Ų163.486%0.86479%0.787SS**  43.9109.5111.4-65.7-178.6175.5-171-0.4119.1
353R32.8Very low35.8Very low240 Ų240164 Ų16491%0.90681%0.812SS**  54155.8114.8-75.4-172.3177.5-168.21120.9
354P43.8Very low36.1Very low99 Ų99166.8 Ų166.864%0.64382%0.815SS**  cis-141.3-154.6-4537.5-15.3000111.5
355K34.2Very low36.4Very low191 Ų191168.2 Ų168.283%0.8382%0.818SS**  trans77.4148.4169.8-55.9-179-177.8177.60115.4
356T34.3Very low36.8Very low128 Ų128169.1 Ų169.179%0.78582%0.824SS**  cis-152.4144.5-9.85.60000110.4
357R35.8Very low37.1Very low251 Ų251168.2 Ų168.295%0.94782%0.822SS**PPolyproline II helixtrans-78.5121.8164.4-114.7176.1173.5166.7-2.7109.5
358K40.4Very low37.4Very low201 Ų201168.9 Ų168.987%0.87483%0.827SS**PPolyproline II helixtrans-98.3143.6157.9-90.3-171.5173.2-177.10109.3
359R42.9Very low37.6Very low252 Ų252169.7 Ų169.795%0.95183%0.834SS**PPolyproline II helixtrans-84.6147.6162.8-73176.6169.9170.2-5.2108.6
360S38.6Very low37.9Very low119 Ų119174.9 Ų174.983%0.83286%0.858SS**  trans-146.1121.6164.2510000108.5
361S39.7Very low38.3Very low113 Ų113178.8 Ų178.879%0.7987%0.874SS**  trans-129.3124.7176.652.50000108.1
362T43.7Very low38.5Very low132 Ų132179.3 Ų179.381%0.8188%0.884SS**  trans-160.1135.8167.524.50000109.1
363S42.3Very low38.9Very low197 Ų197174.8 Ų174.8100%1.37889%0.886SS**  trans570158.5-50.70000116.8

Retrieved 363 of 363 residues in 166.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).