A0A087XAB0_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087XAB0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 285 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low43.1Very low237 Ų237153.8 Ų153.8100%1.16774%0.738SS**  080.20-168176.781.700109
2M32.4Very low46.4Very low147 Ų147156 Ų15672%0.72474%0.741SS**  trans-150.863175.7-79.4-168.876.800110.1
3I43.7Very low50Low157 Ų157146.8 Ų146.881%0.80570%0.697SS**  trans-128.7100.2164.6-59.9172.6000104.7
4N44.4Very low53.2Low128 Ų128141 Ų14168%0.68468%0.676SS**  trans158.883.4153.7-92-32.9000110
5I42.1Very low56.1Low140 Ų140134.8 Ų134.872%0.71865%0.647SS**SBendtrans-141.6125.5143.3-42.6177.6000106.9
6F39.8Very low58.6Low177 Ų177133.7 Ų133.778%0.77665%0.646SS**  trans86.562.1174.6-52.2-71.4000118.6
7L41.9Very low60.9Low136 Ų136128 Ų12871%0.71262%0.619SS**  trans-90.596.1153.7-88.7162.6000109.7
8L37.6Very low62.9Low151 Ų151121.3 Ų121.379%0.79159%0.587SS**SBendtrans-139.598.8154.1-84.7170.4000108.1I10L8-I10 PolarHBondContact O-N 2.93Å
9Y40.7Very low64.8Low238 Ų238119.1 Ų119.193%0.93358%0.578SS**  trans34.552.9163.3-80.9-88.9000118.5
10I54.4Low66.4Low89 Ų89117.1 Ų117.146%0.45657%0.569SS.*  trans-92.2127.8164.9-65.4172.6000108.1L8 K12 N83L8-I10 PolarHBondContact O-N 2.93Å; I10-K12 PolarHBondContact O-N 3.1Å; I10-N83 WeakPolarHBondContact CG2-ND2 3.4Å; I10-N83 WeakPolarHBondContact CG2-OD1 3.31Å
11R62.8Low67.9Low92 Ų92113.4 Ų113.435%0.34756%0.562SS.*  trans-47.5118.6167.9176.9-179172.5-164.1-7.1107.8F13 D17 E37R11-F13 WeakPolarHBondContact O-CD2 3.34Å; R11-F13 PolarHBondContact O-N 3.19Å; R11-D17 IonicContact NH2-OD1 2.89Å; R11-D17 PolarHBondContact NH2-OD1 3.39Å; R11-D17 VanDerWaalsContact NH2-OD1 3.09Å; R11-E37 IonicContact CZ-OE1 2.71Å; R11-E37 VanDerWaalsContact CZ-OE1 3.26Å; R11-E37 IonicContact NH1-OE1 2.74Å; R11-E37 PolarHBondContact NH1-OE1 3.31Å; R11-E37 IonicContact NH2-OE1 3.48Å; R11-E37 PolarHBondContact NH2-OE1 3.26Å
12K82.9Confident70.8Confident180 Ų180109.6 Ų109.678%0.78354%0.535SS*.  trans-72.296.2178.8-70.1-175.2179.3178.50108.6I10I10-K12 PolarHBondContact O-N 3.1Å
13F92.4Very high73.9Confident36 Ų36106.8 Ų106.816%0.15853%0.528CS..  trans-69.9144.9171.1-74.2-76000110.6R11 D17 F18 E37 N83 F85 I94R11-F13 WeakPolarHBondContact O-CD2 3.34Å; R11-F13 PolarHBondContact O-N 3.19Å; F13-D17 WeakPolarHBondContact CA-OD2 3.48Å; F13-D17 HydrophobicContact CD1-CB 4.08Å; F13-F18 HydrophobicContact CB-CE2 4.22Å; F13-F18 AromaticContact CD1-CE2 3.85Å; F13-F18 HydrophobicContact CD1-CE2 3.85Å; F13-F18 AromaticContact CD1-CZ 3.64Å; F13-F18 HydrophobicContact CD1-CZ 3.64Å; F13-F18 HydrophobicContact CE1-CZ 4.04Å; F13-F18 HydrophobicContact CG-CE2 4.33Å; F13-F18 HydrophobicContact CG-CZ 4.21Å; F13-E37 HydrophobicContact CE1-CG 3.99Å; F13-N83 HydrophobicContact CD2-CB 4.41Å; F13-N83 HydrophobicContact CE2-CB 4.3Å; F13-F85 HydrophobicContact CB-CB 4.11Å; F13-F85 HydrophobicContact CB-CD1 3.55Å; F13-F85 HydrophobicContact CB-CE1 4.09Å; F13-F85 HydrophobicContact CB-CG 3.89Å; F13-F85 VanDerWaalsContact O-CB 3.29Å; F13-F85 WeakPolarHBondContact O-CB 3.27Å; F13-F85 WeakPolarHBondContact O-CG 3.12Å; F13-I94 HydrophobicContact CB-CD1 4.42Å; F13-I94 HydrophobicContact CD1-CD1 4.38Å; F13-I94 HydrophobicContact CD2-CD1 3.78Å; F13-I94 HydrophobicContact CE2-CD1 4.06Å; F13-I94 HydrophobicContact CG-CD1 3.95Å; F13-I94 HydrophobicContact CZ-CD1 4.46Å
14T95.8Very high76.2Confident66 Ų66101.8 Ų101.841%0.40550%0.502SS..  trans-122.7173.5163.2760000109.7D16 D17 F18 F85T14-D16 PolarHBondContact O-N 2.75Å; T14-D16 PolarHBondContact OG1-N 2.86Å; T14-D17 PolarHBondContact N-OD2 3.4Å; T14-D17 WeakPolarHBondContact O-CB 3.47Å; T14-D17 PolarHBondContact O-N 3.42Å; T14-F18 VanDerWaalsContact O-CD2 3.28Å; T14-F18 WeakPolarHBondContact O-CD2 3.47Å; T14-F18 WeakPolarHBondContact O-CE2 3.1Å; T14-F85 VanDerWaalsContact C-CE2 3.49Å
15I96.2Very high78.3Confident48 Ų4896.9 Ų96.925%0.24648%0.482CS..G310 helixtrans-63-26.2175.7-167.358.2000112.1D17 F18 I20 L46 F85 F92I15-D17 PolarHBondContact O-N 2.83Å; I15-F18 PolarHBondContact O-N 3.12Å; I15-F18 VanDerWaalsContact O-N 3.15Å; I15-I20 HydrophobicContact CD1-CD1 3.75Å; I15-I20 HydrophobicContact CD1-CG1 4.17Å; I15-L46 HydrophobicContact CD1-CD2 3.65Å; I15-F85 HydrophobicContact CB-CE2 4.39Å; I15-F92 HydrophobicContact CB-CZ 4.49Å; I15-F92 HydrophobicContact CD1-CD1 4.15Å; I15-F92 HydrophobicContact CD1-CE1 3.69Å; I15-F92 HydrophobicContact CD1-CZ 4.37Å; I15-F92 HydrophobicContact CG1-CE1 4.36Å
16D96.7Very high80.3Confident117 Ų11799.1 Ų99.163%0.62649%0.486SS*.G310 helixtrans-72.5-15.9-178.2-55.7-47.2000112.7T14 F18 K38T14-D16 PolarHBondContact O-N 2.75Å; T14-D16 PolarHBondContact OG1-N 2.86Å; D16-F18 PolarHBondContact O-N 3.27Å; D16-K38 WeakPolarHBondContact O-CD 3.44Å; D16-K38 WeakPolarHBondContact O-CE 3.29Å; D16-K38 PolarHBondContact O-NZ 3.16Å
17D96.9Very high82Confident37 Ų3792.5 Ų92.520%0.19847%0.467CS..G310 helixtrans-71.7-6.4171.6-72.3-67.7000113R11 F13 T14 I15 K38R11-D17 IonicContact NH2-OD1 2.89Å; R11-D17 PolarHBondContact NH2-OD1 3.39Å; R11-D17 VanDerWaalsContact NH2-OD1 3.09Å; F13-D17 WeakPolarHBondContact CA-OD2 3.48Å; F13-D17 HydrophobicContact CD1-CB 4.08Å; T14-D17 PolarHBondContact N-OD2 3.4Å; T14-D17 WeakPolarHBondContact O-CB 3.47Å; T14-D17 PolarHBondContact O-N 3.42Å; I15-D17 PolarHBondContact O-N 2.83Å; D17-K38 WeakPolarHBondContact O-CB 3.48Å; D17-K38 WeakPolarHBondContact O-CG 3.34Å; D17-K38 PolarHBondContact O-N 3.24Å
18F97.8Very high83.5Confident8 Ų892.7 Ų92.74%0.03546%0.463CS..EExtended strand (participates in β ladder)trans-124.6138.3-173.1-58.7-90000112.7F13 T14 I15 D16 I20 A35 K36 E37 V44 F85 I94F13-F18 HydrophobicContact CB-CE2 4.22Å; F13-F18 AromaticContact CD1-CE2 3.85Å; F13-F18 HydrophobicContact CD1-CE2 3.85Å; F13-F18 AromaticContact CD1-CZ 3.64Å; F13-F18 HydrophobicContact CD1-CZ 3.64Å; F13-F18 HydrophobicContact CE1-CZ 4.04Å; F13-F18 HydrophobicContact CG-CE2 4.33Å; F13-F18 HydrophobicContact CG-CZ 4.21Å; T14-F18 VanDerWaalsContact O-CD2 3.28Å; T14-F18 WeakPolarHBondContact O-CD2 3.47Å; T14-F18 WeakPolarHBondContact O-CE2 3.1Å; I15-F18 PolarHBondContact O-N 3.12Å; I15-F18 VanDerWaalsContact O-N 3.15Å; D16-F18 PolarHBondContact O-N 3.27Å; F18-I20 HydrophobicContact CB-CD1 3.83Å; F18-A35 HydrophobicContact CB-CB 4.37Å; F18-A35 HydrophobicContact CD1-CB 4.37Å; F18-K36 CarbonylContact C-O 3.57Å; F18-K36 WeakPolarHBondContact CA-O 3.28Å; F18-E37 HydrophobicContact CD1-CB 4.1Å; F18-E37 HydrophobicContact CD1-CG 4.45Å; F18-E37 HydrophobicContact CE1-CB 3.83Å; F18-E37 HydrophobicContact CE1-CG 3.9Å; F18-E37 HydrophobicContact CZ-CG 4.27Å; F18-V44 HydrophobicContact CD1-CG2 4.14Å; F18-V44 HydrophobicContact CE1-CG2 4.09Å; F18-F85 HydrophobicContact CD2-CE1 4.26Å; F18-F85 HydrophobicContact CD2-CZ 4.14Å; F18-F85 AromaticContact CE2-CE1 3.57Å; F18-F85 HydrophobicContact CE2-CE1 3.57Å; F18-F85 AromaticContact CE2-CZ 3.87Å; F18-F85 HydrophobicContact CE2-CZ 3.87Å; F18-F85 HydrophobicContact CZ-CE1 4.16Å; F18-I94 HydrophobicContact CE1-CD1 4.26Å; F18-I94 HydrophobicContact CE1-CG2 4.46Å; F18-I94 HydrophobicContact CE2-CD1 4.36Å; F18-I94 HydrophobicContact CZ-CD1 3.54Å; F18-I94 HydrophobicContact CZ-CG1 4.21Å
19D98Very high85.5Confident78 Ų7887.2 Ų87.242%0.41743%0.433SS..EExtended strand (participates in β ladder)trans-85.9113.7160.7-62.6-44000108.3A35 K36 K38D19-A35 CarbonylContact O-C 3.58Å; D19-A35 VanDerWaalsContact O-CA 3.24Å; D19-A35 WeakPolarHBondContact O-CA 3.36Å; D19-K36 HydrophobicContact CB-CB 4.35Å; D19-K36 PolarHBondContact N-O 3.15Å; D19-K36 PolarHBondContact O-N 2.77Å; D19-K38 WeakPolarHBondContact OD1-CE 3.24Å; D19-K38 IonicContact OD1-NZ 3.64Å
20I97.9Very high87.7Confident79 Ų7976.4 Ų76.441%0.40539%0.393SS..EExtended strand (participates in β ladder)trans-85.6119-178.2-52.2-56000109.4I15 F18 Y33 A35 L46I15-I20 HydrophobicContact CD1-CD1 3.75Å; I15-I20 HydrophobicContact CD1-CG1 4.17Å; F18-I20 HydrophobicContact CB-CD1 3.83Å; I20-Y33 HydrophobicContact CG2-CD1 4.06Å; I20-Y33 HydrophobicContact CG2-CG 4.07Å; I20-A35 HydrophobicContact CD1-CB 3.96Å; I20-L46 HydrophobicContact CD1-CD2 3.68Å
21G96.9Very high89.6Confident41 Ų4174.4 Ų74.442%0.42338%0.383SS..EExtended strand (participates in β ladder)trans-95.5-151175.500000112.6L34G21-L34 VanDerWaalsContact CA-O 3.29Å; G21-L34 WeakPolarHBondContact CA-O 3.5Å; G21-L34 PolarHBondContact N-O 2.84Å
22R96.3Very high91.1Very high157 Ų15771.5 Ų71.559%0.59238%0.376SS*.EExtended strand (participates in β ladder)trans-66151.5-176.667.6-179.3-179.3133.8-0.7112.9L34R22-L34 HydrophobicContact CG-CB 4.3Å; R22-L34 HydrophobicContact CG-CD2 4.41Å; R22-L34 PolarHBondContact O-N 2.8Å
23P96.2Very high91.8Very high88 Ų8866 Ų6657%0.57135%0.351SS*.EExtended strand (participates in β ladder)trans-62.3140.4167.427.8-34.5000110.7Y33P23-Y33 HydrophobicContact CB-CD1 4.27Å; P23-Y33 HydrophobicContact CB-CE1 4.22Å
24L93.3Very high92Very high52 Ų5266.1 Ų66.127%0.27235%0.353SS..EExtended strand (participates in β ladder)trans-102.7-32176-66.2176.7000112V32 L34 A45 Y97L24-V32 HydrophobicContact CB-CB 4.41Å; L24-V32 HydrophobicContact CB-CG1 4.27Å; L24-V32 HydrophobicContact CD1-CG1 4.31Å; L24-V32 PolarHBondContact N-O 3.03Å; L24-L34 HydrophobicContact CD1-CB 4.11Å; L24-L34 HydrophobicContact CD2-CB 4.07Å; L24-L34 HydrophobicContact CG-CB 4.05Å; L24-A45 HydrophobicContact CD1-CB 4.03Å; L24-Y97 HydrophobicContact CD1-CD2 3.7Å; L24-Y97 HydrophobicContact CD1-CE2 3.68Å; L24-Y97 HydrophobicContact CD2-CE2 3.73Å; L24-Y97 HydrophobicContact CG-CE2 4.37Å
25G87.7Confident92.2Very high24 Ų2463.1 Ų63.125%0.24734%0.335CS..EExtended strand (participates in β ladder)trans-174.9167.1-179.300000112.8V32G25-V32 PolarHBondContact N-O 3.38Å; G25-V32 PolarHBondContact O-N 3.33Å
26K84.3Confident92.2Very high188 Ų18864.4 Ų64.482%0.81734%0.338SS*.EExtended strand (participates in β ladder)trans-114.9116.9176-177.1174.9-178.5-175.40108.4
27G74.8Confident92.2Very high37 Ų3759.3 Ų59.338%0.38131%0.311SS..EExtended strand (participates in β ladder)trans-92.4176.3171.100000111.5F29 G30G27-F29 VanDerWaalsContact C-N 3.31Å; G27-F29 PolarHBondContact O-N 2.89Å; G27-G30 CarbonylContact C-O 3.6Å; G27-G30 WeakPolarHBondContact CA-O 3.4Å; G27-G30 PolarHBondContact N-O 3.09Å; G27-G30 VanDerWaalsContact O-O 3.07Å
28K74.8Confident92.2Very high141 Ų14161.8 Ų61.861%0.61332%0.32SS*.THydrogen-bonded Turntrans-59-40.2179.8-171.7175.8179-147.10113.2Q53 E57K28-Q53 PolarHBondContact O-NE2 2.78Å; K28-E57 WeakPolarHBondContact CE-OE2 3.39Å; K28-E57 IonicContact NZ-OE2 3.98Å; K28-E57 PolarHBondContact NZ-OE2 3.38Å
29F79.4Confident91.9Very high36 Ų3668.2 Ų68.216%0.15835%0.348CS..THydrogen-bonded Turntrans-109.69.3-171.9-50.1-74.6000114.4G27 L49 F50 Q53 M54 E57 V59G27-F29 VanDerWaalsContact C-N 3.31Å; G27-F29 PolarHBondContact O-N 2.89Å; F29-L49 HydrophobicContact CB-CD2 3.9Å; F29-L49 WeakPolarHBondContact O-CA 3.32Å; F29-F50 PolarHBondContact O-N 3.02Å; F29-Q53 HydrophobicContact CD1-CG 4.32Å; F29-M54 HydrophobicContact CB-CG 4.47Å; F29-E57 HydrophobicContact CE1-CB 4.06Å; F29-E57 VanDerWaalsContact CE1-CD 3.42Å; F29-E57 HydrophobicContact CE1-CG 4.27Å; F29-E57 WeakPolarHBondContact CE1-OE2 3.32Å; F29-V59 HydrophobicContact CD1-CG2 4.08Å; F29-V59 HydrophobicContact CE1-CB 4.37Å; F29-V59 HydrophobicContact CE1-CG1 4.21Å; F29-V59 HydrophobicContact CE1-CG2 3.46Å; F29-V59 VanDerWaalsContact CE1-CG2 3.46Å; F29-V59 HydrophobicContact CE2-CG2 4.2Å; F29-V59 HydrophobicContact CZ-CB 4.07Å; F29-V59 HydrophobicContact CZ-CG1 3.83Å; F29-V59 HydrophobicContact CZ-CG2 3.56Å
30G86.4Confident91.5Very high10 Ų1070.5 Ų70.510%0.10336%0.356CS..EExtended strand (participates in β ladder)trans156-160179.300000113.4G27 V48G27-G30 CarbonylContact C-O 3.6Å; G27-G30 WeakPolarHBondContact CA-O 3.4Å; G27-G30 PolarHBondContact N-O 3.09Å; G27-G30 VanDerWaalsContact O-O 3.07Å; G30-V48 CarbonylContact C-O 3.48Å; G30-V48 VanDerWaalsContact CA-O 3.27Å; G30-V48 WeakPolarHBondContact CA-O 2.86Å
31N93.2Very high91.3Very high47 Ų4771.3 Ų71.325%0.25136%0.358SS..EExtended strand (participates in β ladder)trans-118.2154.5-169.3-63-41.7000111.4Y33 V48N31-Y33 HydrophobicContact CB-CD2 4.29Å; N31-Y33 HydrophobicContact CB-CE2 3.46Å; N31-Y33 VanDerWaalsContact CB-CE2 3.46Å; N31-Y33 PolarHBondContact ND2-OH 2.93Å; N31-Y33 VanDerWaalsContact ND2-OH 3.16Å; N31-V48 PolarHBondContact N-O 3.05Å; N31-V48 PolarHBondContact O-N 3.22Å
32V95Very high91.2Very high32 Ų3274.2 Ų74.219%0.19436%0.359CS..EExtended strand (participates in β ladder)trans-108131.1171.5-171.80000108.4L24 G25 A45 L46 K47L24-V32 HydrophobicContact CB-CB 4.41Å; L24-V32 HydrophobicContact CB-CG1 4.27Å; L24-V32 HydrophobicContact CD1-CG1 4.31Å; L24-V32 PolarHBondContact N-O 3.03Å; G25-V32 PolarHBondContact N-O 3.38Å; G25-V32 PolarHBondContact O-N 3.33Å; V32-A45 HydrophobicContact CG1-CB 3.98Å; V32-L46 WeakPolarHBondContact CA-O 3.24Å; V32-K47 HydrophobicContact CG2-CB 4.09Å; V32-K47 HydrophobicContact CG2-CD 4.46Å; V32-K47 HydrophobicContact CG2-CG 4.05Å
33Y97.5Very high91.2Very high64 Ų6471 Ų7125%0.25135%0.353SS..EExtended strand (participates in β ladder)trans-118.6145.3179.3-61.8-91.4000110.8I20 P23 N31 A45 L46 V48I20-Y33 HydrophobicContact CG2-CD1 4.06Å; I20-Y33 HydrophobicContact CG2-CG 4.07Å; P23-Y33 HydrophobicContact CB-CD1 4.27Å; P23-Y33 HydrophobicContact CB-CE1 4.22Å; N31-Y33 HydrophobicContact CB-CD2 4.29Å; N31-Y33 HydrophobicContact CB-CE2 3.46Å; N31-Y33 VanDerWaalsContact CB-CE2 3.46Å; N31-Y33 PolarHBondContact ND2-OH 2.93Å; N31-Y33 VanDerWaalsContact ND2-OH 3.16Å; Y33-A45 CarbonylContact O-C 3.53Å; Y33-A45 WeakPolarHBondContact O-CA 3.5Å; Y33-L46 PolarHBondContact N-O 2.85Å; Y33-L46 PolarHBondContact O-N 2.86Å; Y33-V48 HydrophobicContact CD2-CG2 3.85Å; Y33-V48 HydrophobicContact CE2-CB 4.46Å; Y33-V48 HydrophobicContact CE2-CG2 3.98Å
34L97.9Very high91.2Very high39 Ų3967 Ų6720%0.20433%0.326CS..EExtended strand (participates in β ladder)trans-67.7131.6161.1-176.864000107G21 R22 L24 I43 Y97G21-L34 VanDerWaalsContact CA-O 3.29Å; G21-L34 WeakPolarHBondContact CA-O 3.5Å; G21-L34 PolarHBondContact N-O 2.84Å; R22-L34 HydrophobicContact CG-CB 4.3Å; R22-L34 HydrophobicContact CG-CD2 4.41Å; R22-L34 PolarHBondContact O-N 2.8Å; L24-L34 HydrophobicContact CD1-CB 4.11Å; L24-L34 HydrophobicContact CD2-CB 4.07Å; L24-L34 HydrophobicContact CG-CB 4.05Å; L34-I43 HydrophobicContact CD1-CG2 3.51Å; L34-Y97 HydrophobicContact CD1-CD1 3.79Å; L34-Y97 HydrophobicContact CD1-CD2 3.84Å; L34-Y97 HydrophobicContact CD1-CE1 3.77Å; L34-Y97 HydrophobicContact CD1-CE2 3.88Å; L34-Y97 HydrophobicContact CD1-CG 3.82Å
35A98.2Very high91.4Very high3 Ų364.9 Ų64.93%0.02532%0.317CS..EExtended strand (participates in β ladder)trans-140.3158.7177.700000110.9F18 D19 I20 I43 V44 L46F18-A35 HydrophobicContact CB-CB 4.37Å; F18-A35 HydrophobicContact CD1-CB 4.37Å; D19-A35 CarbonylContact O-C 3.58Å; D19-A35 VanDerWaalsContact O-CA 3.24Å; D19-A35 WeakPolarHBondContact O-CA 3.36Å; I20-A35 HydrophobicContact CD1-CB 3.96Å; A35-I43 WeakPolarHBondContact O-CA 3.38Å; A35-V44 HydrophobicContact CB-CG2 3.99Å; A35-V44 PolarHBondContact N-O 2.74Å; A35-V44 PolarHBondContact O-N 2.84Å; A35-V44 VanDerWaalsContact O-O 3.08Å; A35-L46 HydrophobicContact CB-CB 4.05Å
36K98Very high91.9Very high74 Ų7463.7 Ų63.732%0.32231%0.305SS..EExtended strand (participates in β ladder)trans-124.5121.4175-171.8178.7-179-173.80109.4F18 D19 K38 Q41 F42F18-K36 CarbonylContact C-O 3.57Å; F18-K36 WeakPolarHBondContact CA-O 3.28Å; D19-K36 HydrophobicContact CB-CB 4.35Å; D19-K36 PolarHBondContact N-O 3.15Å; D19-K36 PolarHBondContact O-N 2.77Å; K36-K38 PolarHBondContact O-N 3.26Å; K36-Q41 VanDerWaalsContact CE-CB 3.48Å; K36-Q41 VanDerWaalsContact CE-O 3.27Å; K36-Q41 WeakPolarHBondContact CE-O 3.48Å; K36-F42 CarbonylContact C-O 3.58Å; K36-F42 WeakPolarHBondContact CA-O 3.29Å
37E96.2Very high92.4Very high11 Ų1156.6 Ų56.65%0.05127%0.274CS..EExtended strand (participates in β ladder)trans-70.8123.5175-167-87.6155.900109.4R11 F13 F18 K39 H40 Q41 F42R11-E37 IonicContact CZ-OE1 2.71Å; R11-E37 VanDerWaalsContact CZ-OE1 3.26Å; R11-E37 IonicContact NH1-OE1 2.74Å; R11-E37 PolarHBondContact NH1-OE1 3.31Å; R11-E37 IonicContact NH2-OE1 3.48Å; R11-E37 PolarHBondContact NH2-OE1 3.26Å; F13-E37 HydrophobicContact CE1-CG 3.99Å; F18-E37 HydrophobicContact CD1-CB 4.1Å; F18-E37 HydrophobicContact CD1-CG 4.45Å; F18-E37 HydrophobicContact CE1-CB 3.83Å; F18-E37 HydrophobicContact CE1-CG 3.9Å; F18-E37 HydrophobicContact CZ-CG 4.27Å; E37-K39 PolarHBondContact O-N 3.31Å; E37-K39 WeakPolarHBondContact OE1-CB 3.47Å; E37-K39 PolarHBondContact OE1-N 2.84Å; E37-K39 PolarHBondContact OE2-N 2.97Å; E37-H40 IonicContact OE1-ND1 3.83Å; E37-H40 WeakPolarHBondContact OE2-CB 3.37Å; E37-H40 IonicContact OE2-CE1 3.98Å; E37-H40 IonicContact OE2-CG 3.53Å; E37-H40 PolarHBondContact OE2-N 2.81Å; E37-H40 IonicContact OE2-ND1 2.84Å; E37-H40 PolarHBondContact OE2-ND1 2.94Å; E37-Q41 WeakPolarHBondContact O-CA 3.33Å; E37-Q41 PolarHBondContact O-N 3.31Å; E37-F42 PolarHBondContact N-O 2.87Å; E37-F42 PolarHBondContact O-N 2.75Å
38K95.8Very high93.4Very high89 Ų8955.5 Ų55.539%0.38726%0.26SS..THydrogen-bonded Turntrans-67.1-34.6-167.7-72.7175.3179.3166.90113.5D16 D17 D19 K36 Q41D16-K38 WeakPolarHBondContact O-CD 3.44Å; D16-K38 WeakPolarHBondContact O-CE 3.29Å; D16-K38 PolarHBondContact O-NZ 3.16Å; D17-K38 WeakPolarHBondContact O-CB 3.48Å; D17-K38 WeakPolarHBondContact O-CG 3.34Å; D17-K38 PolarHBondContact O-N 3.24Å; D19-K38 WeakPolarHBondContact OD1-CE 3.24Å; D19-K38 IonicContact OD1-NZ 3.64Å; K36-K38 PolarHBondContact O-N 3.26Å; K38-Q41 PolarHBondContact O-NE2 3.28Å
39K91.8Very high94.2Very high143 Ų14349 Ų4962%0.62223%0.232SC*.THydrogen-bonded Turntrans-70.3-47.9-174.2-174.3176.5170.2178.60112.6E37E37-K39 PolarHBondContact O-N 3.31Å; E37-K39 WeakPolarHBondContact OE1-CB 3.47Å; E37-K39 PolarHBondContact OE1-N 2.84Å; E37-K39 PolarHBondContact OE2-N 2.97Å
40H91Very high94.8Very high125 Ų12551.3 Ų51.358%0.57924%0.242SC*.THydrogen-bonded Turntrans-106.42.8-176-49.388.9000112.5E37 F42E37-H40 IonicContact OE1-ND1 3.83Å; E37-H40 WeakPolarHBondContact OE2-CB 3.37Å; E37-H40 IonicContact OE2-CE1 3.98Å; E37-H40 IonicContact OE2-CG 3.53Å; E37-H40 PolarHBondContact OE2-N 2.81Å; E37-H40 IonicContact OE2-ND1 2.84Å; E37-H40 PolarHBondContact OE2-ND1 2.94Å; H40-F42 PolarHBondContact O-N 3.5Å
41Q93.3Very high95.1Very high97 Ų9753.2 Ų53.245%0.45325%0.247SC..THydrogen-bonded Turntrans59.328179.3-60.5-70.7-67.900112.6K36 E37 K38K36-Q41 VanDerWaalsContact CE-CB 3.48Å; K36-Q41 VanDerWaalsContact CE-O 3.27Å; K36-Q41 WeakPolarHBondContact CE-O 3.48Å; E37-Q41 WeakPolarHBondContact O-CA 3.33Å; E37-Q41 PolarHBondContact O-N 3.31Å; K38-Q41 PolarHBondContact O-NE2 3.28Å
42F93.4Very high95Very high101 Ų10155 Ų5544%0.44326%0.263SS..EExtended strand (participates in β ladder)trans-86.2130.2-173.2-171-111.9000111.5K36 E37 H40 V44 Y82K36-F42 CarbonylContact C-O 3.58Å; K36-F42 WeakPolarHBondContact CA-O 3.29Å; E37-F42 PolarHBondContact N-O 2.87Å; E37-F42 PolarHBondContact O-N 2.75Å; H40-F42 PolarHBondContact O-N 3.5Å; F42-V44 HydrophobicContact CD1-CG1 3.48Å; F42-V44 VanDerWaalsContact CD1-CG1 3.48Å; F42-V44 HydrophobicContact CE1-CG1 3.75Å; F42-Y82 HydrophobicContact CE1-CD2 4.39Å; F42-Y82 HydrophobicContact CE1-CE1 4.33Å; F42-Y82 AromaticContact CE1-CE2 3.64Å; F42-Y82 HydrophobicContact CE1-CE2 3.64Å; F42-Y82 AromaticContact CE1-CZ 3.63Å; F42-Y82 HydrophobicContact CZ-CE2 4.35Å; F42-Y82 AromaticContact CZ-CZ 3.94Å; F42-Y82 WeakPolarHBondContact CZ-OH 3.4Å
43I96.8Very high94.6Very high90 Ų9056.3 Ų56.346%0.46227%0.267SS..EExtended strand (participates in β ladder)trans-81.9130179.9-61.2176.8000109.7L34 A35 Y97L34-I43 HydrophobicContact CD1-CG2 3.51Å; A35-I43 WeakPolarHBondContact O-CA 3.38Å; I43-Y97 HydrophobicContact CG2-CD1 3.66Å; I43-Y97 HydrophobicContact CG2-CE1 4.41Å; I43-Y97 HydrophobicContact CG2-CG 4.12Å
44V97.4Very high94Very high3 Ų353.8 Ų53.82%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-137.5163.7-178.6-61.50000110.9F18 A35 F42 Y82 I94 L95F18-V44 HydrophobicContact CD1-CG2 4.14Å; F18-V44 HydrophobicContact CE1-CG2 4.09Å; A35-V44 HydrophobicContact CB-CG2 3.99Å; A35-V44 PolarHBondContact N-O 2.74Å; A35-V44 PolarHBondContact O-N 2.84Å; A35-V44 VanDerWaalsContact O-O 3.08Å; F42-V44 HydrophobicContact CD1-CG1 3.48Å; F42-V44 VanDerWaalsContact CD1-CG1 3.48Å; F42-V44 HydrophobicContact CE1-CG1 3.75Å; V44-Y82 HydrophobicContact CG1-CD2 4.18Å; V44-Y82 HydrophobicContact CG1-CE2 4.17Å; V44-I94 HydrophobicContact CB-CG2 4.01Å; V44-I94 HydrophobicContact CG1-CG2 3.89Å; V44-I94 HydrophobicContact CG2-CG2 4.08Å; V44-L95 WeakPolarHBondContact CB-O 3.38Å
45A97.8Very high93.5Very high8 Ų857.7 Ų57.77%0.06628%0.275CS..EExtended strand (participates in β ladder)trans-97.7127.6162.200000109.1L24 V32 Y33 L95L24-A45 HydrophobicContact CD1-CB 4.03Å; V32-A45 HydrophobicContact CG1-CB 3.98Å; Y33-A45 CarbonylContact O-C 3.53Å; Y33-A45 WeakPolarHBondContact O-CA 3.5Å; A45-L95 HydrophobicContact CB-CB 4.28Å; A45-L95 PolarHBondContact N-O 3.19Å; A45-L95 PolarHBondContact O-N 3.05Å
46L97.1Very high93Very high0 Ų066.6 Ų66.60%031%0.313CS..EExtended strand (participates in β ladder)trans-106.5104178-162.570000109.6I15 I20 V32 Y33 A35 V48 F85 F92 L93 I94I15-L46 HydrophobicContact CD1-CD2 3.65Å; I20-L46 HydrophobicContact CD1-CD2 3.68Å; V32-L46 WeakPolarHBondContact CA-O 3.24Å; Y33-L46 PolarHBondContact N-O 2.85Å; Y33-L46 PolarHBondContact O-N 2.86Å; A35-L46 HydrophobicContact CB-CB 4.05Å; L46-V48 HydrophobicContact CG-CG2 4.48Å; L46-F85 HydrophobicContact CD1-CE1 3.93Å; L46-F85 HydrophobicContact CD1-CZ 4.22Å; L46-F85 HydrophobicContact CD2-CZ 4.46Å; L46-F92 HydrophobicContact CD1-CB 4.15Å; L46-F92 HydrophobicContact CD2-CD1 3.92Å; L46-F92 HydrophobicContact CG-CD1 4.2Å; L46-L93 WeakPolarHBondContact CA-O 3.27Å; L46-I94 HydrophobicContact CD1-CG1 4Å
47K94.9Very high92.3Very high39 Ų3966.6 Ų66.617%0.1731%0.314CS..EExtended strand (participates in β ladder)trans-86.1114.3176179.8170.6171.7-169.80108.6V32 L49 E66 F92 L93 L95V32-K47 HydrophobicContact CG2-CB 4.09Å; V32-K47 HydrophobicContact CG2-CD 4.46Å; V32-K47 HydrophobicContact CG2-CG 4.05Å; K47-L49 HydrophobicContact CG-CD2 4.09Å; K47-L49 HydrophobicContact CG-CG 4.36Å; K47-E66 IonicContact NZ-OE1 2.88Å; K47-E66 PolarHBondContact NZ-OE1 3.09Å; K47-E66 IonicContact NZ-OE2 2.72Å; K47-F92 CarbonylContact O-C 3.59Å; K47-F92 WeakPolarHBondContact O-CA 3.28Å; K47-L93 HydrophobicContact CB-CB 4.2Å; K47-L93 HydrophobicContact CD-CD1 4.16Å; K47-L93 PolarHBondContact N-O 2.65Å; K47-L93 PolarHBondContact O-N 3.28Å; K47-L95 HydrophobicContact CB-CD1 4.02Å; K47-L95 HydrophobicContact CD-CD1 4.22Å
48V95.3Very high91.7Very high13 Ų1368.8 Ų68.88%0.07934%0.34CS..EExtended strand (participates in β ladder)trans-103.6122.2-176.2-172.90000109.1G30 N31 Y33 L46 R90 F92G30-V48 CarbonylContact C-O 3.48Å; G30-V48 VanDerWaalsContact CA-O 3.27Å; G30-V48 WeakPolarHBondContact CA-O 2.86Å; N31-V48 PolarHBondContact N-O 3.05Å; N31-V48 PolarHBondContact O-N 3.22Å; Y33-V48 HydrophobicContact CD2-CG2 3.85Å; Y33-V48 HydrophobicContact CE2-CB 4.46Å; Y33-V48 HydrophobicContact CE2-CG2 3.98Å; L46-V48 HydrophobicContact CG-CG2 4.48Å; V48-R90 HydrophobicContact CG1-CB 4.23Å; V48-R90 HydrophobicContact CG1-CG 4.16Å; V48-F92 HydrophobicContact CB-CD1 4.41Å; V48-F92 HydrophobicContact CB-CE1 4.48Å; V48-F92 HydrophobicContact CG1-CD1 4.14Å; V48-F92 HydrophobicContact CG1-CE1 3.84Å; V48-F92 HydrophobicContact CG1-CZ 4.45Å; V48-F92 HydrophobicContact CG2-CD1 3.78Å; V48-F92 HydrophobicContact CG2-CE1 3.94Å
49L92.7Very high91Very high5 Ų565.3 Ų65.33%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-119.8133.7-176.3-54.5169.4000110.1F29 K47 M54 L63 R90 V91 L93F29-L49 HydrophobicContact CB-CD2 3.9Å; F29-L49 WeakPolarHBondContact O-CA 3.32Å; K47-L49 HydrophobicContact CG-CD2 4.09Å; K47-L49 HydrophobicContact CG-CG 4.36Å; L49-M54 HydrophobicContact CB-CE 4.4Å; L49-M54 HydrophobicContact CB-SD 4.03Å; L49-M54 HydrophobicContact CD1-SD 4.44Å; L49-L63 HydrophobicContact CD1-CD1 3.51Å; L49-L63 HydrophobicContact CD1-CD2 3.77Å; L49-L63 HydrophobicContact CD1-CG 4.3Å; L49-R90 CarbonylContact O-C 3.4Å; L49-R90 WeakPolarHBondContact O-CA 3.13Å; L49-V91 HydrophobicContact CB-CB 4.41Å; L49-V91 PolarHBondContact N-O 2.72Å; L49-V91 PolarHBondContact O-N 2.74Å; L49-L93 HydrophobicContact CD1-CD1 4.14Å; L49-L93 HydrophobicContact CD1-CG 4.29Å
50F92.2Very high90.6Very high85 Ų8561.6 Ų61.637%0.37331%0.311SS..EExtended strand (participates in β ladder)trans-88124180-67.6-82.5000111.9F29 S52 Q53 M54 R90F29-F50 PolarHBondContact O-N 3.02Å; F50-S52 PolarHBondContact O-N 2.72Å; F50-Q53 HydrophobicContact CB-CB 4.19Å; F50-Q53 PolarHBondContact O-N 2.86Å; F50-M54 WeakPolarHBondContact O-CG 3.45Å; F50-M54 PolarHBondContact O-N 3.36Å; F50-M54 VanDerWaalsContact O-N 3.14Å; F50-R90 HydrophobicContact CD1-CG 3.99Å; F50-R90 HydrophobicContact CE1-CG 4.1Å
51K91.4Very high90.1Very high50 Ų5062.2 Ų62.222%0.21731%0.314CS..Hα-helixtrans-59.1-45.5-178.2-69.8-179.9172.9-178.30112.8Q53 M54 E55 H86 D87 K89 V91K51-Q53 VanDerWaalsContact C-N 3.27Å; K51-Q53 PolarHBondContact O-N 3.35Å; K51-M54 HydrophobicContact CB-CE 4.46Å; K51-M54 HydrophobicContact CG-CE 4.11Å; K51-M54 PolarHBondContact O-N 3.46Å; K51-M54 VanDerWaalsContact O-N 3.14Å; K51-E55 WeakPolarHBondContact O-CG 3.16Å; K51-E55 PolarHBondContact O-N 2.82Å; K51-H86 PolarHBondContact NZ-ND1 2.83Å; K51-D87 WeakPolarHBondContact CE-O 3.37Å; K51-D87 PolarHBondContact NZ-O 3.06Å; K51-K89 WeakPolarHBondContact CB-O 3.22Å; K51-K89 PolarHBondContact N-O 3.03Å; K51-V91 HydrophobicContact CG-CG2 4.18Å
52S90.8Very high89.3Confident84 Ų8460.3 Ų60.359%0.58731%0.305SS*.Hα-helixtrans-59.9-35.5178.353.40000113.4F50 K56F50-S52 PolarHBondContact O-N 2.72Å; S52-K56 WeakPolarHBondContact O-CB 3.47Å; S52-K56 PolarHBondContact O-N 2.89Å; S52-K56 VanDerWaalsContact O-N 3.13Å
53Q87.6Confident88.8Confident60 Ų6056.4 Ų56.428%0.2829%0.289SS..Hα-helixtrans-72.9-39.5177.5-167.4-178.1-13.700111.2K28 F29 F50 K51 K56 E57K28-Q53 PolarHBondContact O-NE2 2.78Å; F29-Q53 HydrophobicContact CD1-CG 4.32Å; F50-Q53 HydrophobicContact CB-CB 4.19Å; F50-Q53 PolarHBondContact O-N 2.86Å; K51-Q53 VanDerWaalsContact C-N 3.27Å; K51-Q53 PolarHBondContact O-N 3.35Å; Q53-K56 PolarHBondContact O-N 3.14Å; Q53-E57 PolarHBondContact NE2-OE1 2.86Å; Q53-E57 PolarHBondContact O-N 3.14Å
54M85.2Confident88.2Confident10 Ų1057.5 Ų57.55%0.04929%0.287CS..Hα-helixtrans-66.5-40.8177.6-65.4-173.9-60.700112.7F29 L49 F50 K51 E57 G58 V59 E60 L63 V91F29-M54 HydrophobicContact CB-CG 4.47Å; L49-M54 HydrophobicContact CB-CE 4.4Å; L49-M54 HydrophobicContact CB-SD 4.03Å; L49-M54 HydrophobicContact CD1-SD 4.44Å; F50-M54 WeakPolarHBondContact O-CG 3.45Å; F50-M54 PolarHBondContact O-N 3.36Å; F50-M54 VanDerWaalsContact O-N 3.14Å; K51-M54 HydrophobicContact CB-CE 4.46Å; K51-M54 HydrophobicContact CG-CE 4.11Å; K51-M54 PolarHBondContact O-N 3.46Å; K51-M54 VanDerWaalsContact O-N 3.14Å; M54-E57 PolarHBondContact O-N 2.82Å; M54-G58 PolarHBondContact O-N 2.95Å; M54-V59 HydrophobicContact CB-CG2 3.99Å; M54-V59 HydrophobicContact CG-CG2 4.13Å; M54-V59 PolarHBondContact O-N 3.16Å; M54-V59 VanDerWaalsContact O-N 3.12Å; M54-E60 HydrophobicContact CB-CG 4.5Å; M54-L63 HydrophobicContact CE-CD2 3.93Å; M54-L63 HydrophobicContact SD-CD2 3.36Å; M54-L63 WeakPolarHBondContact SD-CD2 3.27Å; M54-L63 HydrophobicContact SD-CG 4.49Å; M54-V91 HydrophobicContact CE-CB 4.46Å; M54-V91 HydrophobicContact CE-CG2 3.9Å
55E87.7Confident87.5Confident122 Ų12263 Ų6357%0.5731%0.307SS*.Hα-helixtrans-60.6-48.6173.8-78.4167.4-158.600110.6K51 E57 G58 E60K51-E55 WeakPolarHBondContact O-CG 3.16Å; K51-E55 PolarHBondContact O-N 2.82Å; E55-E57 VanDerWaalsContact C-N 3.3Å; E55-E57 PolarHBondContact O-N 3.1Å; E55-G58 PolarHBondContact O-N 2.95Å; E55-E60 WeakPolarHBondContact CG-OE1 3.46Å
56K87.1Confident86.8Confident189 Ų18963.3 Ų63.382%0.82231%0.308SS*.Hα-helixtrans-59.8-38.6179.1-176.2-179.2177.8-176.50112.9S52 Q53S52-K56 WeakPolarHBondContact O-CB 3.47Å; S52-K56 PolarHBondContact O-N 2.89Å; S52-K56 VanDerWaalsContact O-N 3.13Å; Q53-K56 PolarHBondContact O-N 3.14Å
57E83.4Confident86.4Confident74 Ų7464.4 Ų64.435%0.34631%0.313SS..Hα-helixtrans-90.1-4.5-179.6-67-169.5-13700113.6K28 F29 Q53 M54 E55 V59K28-E57 WeakPolarHBondContact CE-OE2 3.39Å; K28-E57 IonicContact NZ-OE2 3.98Å; K28-E57 PolarHBondContact NZ-OE2 3.38Å; F29-E57 HydrophobicContact CE1-CB 4.06Å; F29-E57 VanDerWaalsContact CE1-CD 3.42Å; F29-E57 HydrophobicContact CE1-CG 4.27Å; F29-E57 WeakPolarHBondContact CE1-OE2 3.32Å; Q53-E57 PolarHBondContact NE2-OE1 2.86Å; Q53-E57 PolarHBondContact O-N 3.14Å; M54-E57 PolarHBondContact O-N 2.82Å; E55-E57 VanDerWaalsContact C-N 3.3Å; E55-E57 PolarHBondContact O-N 3.1Å; E57-V59 VanDerWaalsContact C-N 3.32Å; E57-V59 HydrophobicContact CB-CG1 4.2Å; E57-V59 HydrophobicContact CB-CG2 4.33Å; E57-V59 PolarHBondContact O-N 3.29Å
58G83.1Confident86Confident57 Ų5768.6 Ų68.659%0.58833%0.333SS*.THydrogen-bonded Turntrans68.224.6177.900000114.9M54 E55M54-G58 PolarHBondContact O-N 2.95Å; E55-G58 PolarHBondContact O-N 2.95Å
59V81Confident85.6Confident17 Ų1768.6 Ų68.610%0.10333%0.333CS..  trans-100.19.1-170.7-64.50000114.8F29 M54 E57 H61 Q62 L63F29-V59 HydrophobicContact CD1-CG2 4.08Å; F29-V59 HydrophobicContact CE1-CB 4.37Å; F29-V59 HydrophobicContact CE1-CG1 4.21Å; F29-V59 HydrophobicContact CE1-CG2 3.46Å; F29-V59 VanDerWaalsContact CE1-CG2 3.46Å; F29-V59 HydrophobicContact CE2-CG2 4.2Å; F29-V59 HydrophobicContact CZ-CB 4.07Å; F29-V59 HydrophobicContact CZ-CG1 3.83Å; F29-V59 HydrophobicContact CZ-CG2 3.56Å; M54-V59 HydrophobicContact CB-CG2 3.99Å; M54-V59 HydrophobicContact CG-CG2 4.13Å; M54-V59 PolarHBondContact O-N 3.16Å; M54-V59 VanDerWaalsContact O-N 3.12Å; E57-V59 VanDerWaalsContact C-N 3.32Å; E57-V59 HydrophobicContact CB-CG1 4.2Å; E57-V59 HydrophobicContact CB-CG2 4.33Å; E57-V59 PolarHBondContact O-N 3.29Å; V59-H61 VanDerWaalsContact C-N 3.27Å; V59-H61 PolarHBondContact O-N 3.25Å; V59-Q62 HydrophobicContact CB-CB 4.42Å; V59-Q62 WeakPolarHBondContact O-CB 3.5Å; V59-Q62 PolarHBondContact O-N 3.28Å; V59-L63 PolarHBondContact O-N 3.31Å
60E83.5Confident85.4Confident65 Ų6568.4 Ų68.430%0.30433%0.332SS..Hα-helixtrans-56.2-40.9-179.3-68.6-175.7-154.900113.3M54 E55 Q62 L63 R64M54-E60 HydrophobicContact CB-CG 4.5Å; E55-E60 WeakPolarHBondContact CG-OE1 3.46Å; E60-Q62 VanDerWaalsContact C-N 3.27Å; E60-Q62 PolarHBondContact O-N 3.05Å; E60-L63 PolarHBondContact O-N 2.72Å; E60-R64 WeakPolarHBondContact O-CG 3.14Å; E60-R64 PolarHBondContact O-N 3.11Å; E60-R64 IonicContact OE2-NH2 3.86Å; E60-R64 PolarHBondContact OE2-NH2 2.69Å
61H80.1Confident85.4Confident138 Ų13866.2 Ų66.264%0.63933%0.327SS*.Hα-helixtrans-65.1-33.1178.1-67.5-68.9000112.2V59 R65V59-H61 VanDerWaalsContact C-N 3.27Å; V59-H61 PolarHBondContact O-N 3.25Å; H61-R65 WeakPolarHBondContact O-CB 3.01Å; H61-R65 PolarHBondContact O-N 3.16Å; H61-R65 VanDerWaalsContact O-N 3.17Å
62Q76.6Confident85.3Confident56 Ų5669.7 Ų69.726%0.26234%0.344SS..Hα-helixtrans-68.5-45.8175.9-170.3178.34.900110.6V59 E60 R64 R65 E66 G161V59-Q62 HydrophobicContact CB-CB 4.42Å; V59-Q62 WeakPolarHBondContact O-CB 3.5Å; V59-Q62 PolarHBondContact O-N 3.28Å; E60-Q62 VanDerWaalsContact C-N 3.27Å; E60-Q62 PolarHBondContact O-N 3.05Å; Q62-R64 PolarHBondContact O-N 3.18Å; Q62-R65 WeakPolarHBondContact O-CB 3.11Å; Q62-R65 PolarHBondContact O-N 3.3Å; Q62-E66 PolarHBondContact O-N 3.25Å; Q62-G161 WeakPolarHBondContact CG-O 3.46Å; Q62-G161 PolarHBondContact NE2-O 3.12Å
63L83.6Confident85.4Confident19 Ų1965.9 Ų65.910%0.09932%0.317CS..Hα-helixtrans-62.4-44.5176.5176.262.8000112.1L49 M54 V59 E60 R65 E66 I67 V91 L93L49-L63 HydrophobicContact CD1-CD1 3.51Å; L49-L63 HydrophobicContact CD1-CD2 3.77Å; L49-L63 HydrophobicContact CD1-CG 4.3Å; M54-L63 HydrophobicContact CE-CD2 3.93Å; M54-L63 HydrophobicContact SD-CD2 3.36Å; M54-L63 WeakPolarHBondContact SD-CD2 3.27Å; M54-L63 HydrophobicContact SD-CG 4.49Å; V59-L63 PolarHBondContact O-N 3.31Å; E60-L63 PolarHBondContact O-N 2.72Å; L63-R65 PolarHBondContact O-N 3.39Å; L63-E66 PolarHBondContact O-N 3.12Å; L63-I67 HydrophobicContact CD1-CD1 3.98Å; L63-I67 HydrophobicContact CD1-CG1 4.11Å; L63-I67 HydrophobicContact CD2-CD1 4.43Å; L63-I67 HydrophobicContact CG-CD1 3.9Å; L63-I67 HydrophobicContact CG-CG1 4.43Å; L63-I67 WeakPolarHBondContact O-CG1 3.27Å; L63-I67 PolarHBondContact O-N 3.27Å; L63-V91 HydrophobicContact CD2-CG1 4.29Å; L63-L93 HydrophobicContact CD1-CD1 4.17Å
64R84.6Confident85.8Confident114 Ų11469.4 Ų69.443%0.4333%0.331SS..Hα-helixtrans-58.7-40.3177.6-72.8-177.5-163.717012.3111.1E60 Q62 I67 E68E60-R64 WeakPolarHBondContact O-CG 3.14Å; E60-R64 PolarHBondContact O-N 3.11Å; E60-R64 IonicContact OE2-NH2 3.86Å; E60-R64 PolarHBondContact OE2-NH2 2.69Å; Q62-R64 PolarHBondContact O-N 3.18Å; R64-I67 PolarHBondContact O-N 2.9Å; R64-E68 VanDerWaalsContact O-CB 3.27Å; R64-E68 WeakPolarHBondContact O-CB 3.3Å; R64-E68 PolarHBondContact O-N 2.97Å
65R81.1Confident86.3Confident118 Ų11870.2 Ų70.245%0.44534%0.335SS..Hα-helixtrans-67-42.6175.8-173.8-179.2-64159.43.1112.4H61 Q62 L63 I67 E68 I69 S163H61-R65 WeakPolarHBondContact O-CB 3.01Å; H61-R65 PolarHBondContact O-N 3.16Å; H61-R65 VanDerWaalsContact O-N 3.17Å; Q62-R65 WeakPolarHBondContact O-CB 3.11Å; Q62-R65 PolarHBondContact O-N 3.3Å; L63-R65 PolarHBondContact O-N 3.39Å; R65-I67 VanDerWaalsContact C-N 3.34Å; R65-I67 PolarHBondContact O-N 3.27Å; R65-E68 PolarHBondContact O-N 2.49Å; R65-I69 HydrophobicContact CG-CD1 3.65Å; R65-I69 HydrophobicContact CG-CG1 4.21Å; R65-I69 WeakPolarHBondContact O-CB 3.46Å; R65-I69 WeakPolarHBondContact O-CG1 3.42Å; R65-I69 PolarHBondContact O-N 2.84Å; R65-S163 VanDerWaalsContact CD-O 3.29Å; R65-S163 WeakPolarHBondContact CD-O 3.28Å
66E84.1Confident86.8Confident15 Ų1566.6 Ų66.67%0.0732%0.322CS..Hα-helixtrans-56.6-49.5174.5-177.5-174.2163.600110.2K47 Q62 L63 Q70 F160K47-E66 IonicContact NZ-OE1 2.88Å; K47-E66 PolarHBondContact NZ-OE1 3.09Å; K47-E66 IonicContact NZ-OE2 2.72Å; Q62-E66 PolarHBondContact O-N 3.25Å; L63-E66 PolarHBondContact O-N 3.12Å; E66-Q70 WeakPolarHBondContact O-CB 3.49Å; E66-Q70 PolarHBondContact O-N 3.27Å; E66-F160 HydrophobicContact CG-CB 4.47Å
67I87.7Confident87.3Confident22 Ų2257.6 Ų57.611%0.11328%0.282CS..Hα-helixtrans-61.1-49.3177.3-67.1169.7000110.9L63 R64 R65 S71 F81 Y84 L93L63-I67 HydrophobicContact CD1-CD1 3.98Å; L63-I67 HydrophobicContact CD1-CG1 4.11Å; L63-I67 HydrophobicContact CD2-CD1 4.43Å; L63-I67 HydrophobicContact CG-CD1 3.9Å; L63-I67 HydrophobicContact CG-CG1 4.43Å; L63-I67 WeakPolarHBondContact O-CG1 3.27Å; L63-I67 PolarHBondContact O-N 3.27Å; R64-I67 PolarHBondContact O-N 2.9Å; R65-I67 VanDerWaalsContact C-N 3.34Å; R65-I67 PolarHBondContact O-N 3.27Å; I67-S71 WeakPolarHBondContact O-CB 3.16Å; I67-S71 PolarHBondContact O-N 2.8Å; I67-S71 PolarHBondContact O-OG 3.4Å; I67-F81 HydrophobicContact CB-CZ 4.4Å; I67-F81 HydrophobicContact CG1-CE2 4.17Å; I67-F81 HydrophobicContact CG1-CZ 4.21Å; I67-F81 HydrophobicContact CG2-CE1 4.41Å; I67-F81 HydrophobicContact CG2-CE2 4.48Å; I67-F81 HydrophobicContact CG2-CZ 3.84Å; I67-Y84 HydrophobicContact CD1-CG 4.47Å; I67-Y84 HydrophobicContact CG2-CD1 3.84Å; I67-Y84 HydrophobicContact CG2-CE1 3.89Å; I67-Y84 HydrophobicContact CG2-CG 4.49Å; I67-L93 HydrophobicContact CD1-CD2 3.83Å; I67-L93 HydrophobicContact CG1-CD2 3.95Å
68E86.9Confident88Confident127 Ų12754.2 Ų54.259%0.59327%0.267SS*.Hα-helixtrans-60.3-47.8-179.1-176.2-175174.200111.4R64 R65 S71 H72R64-E68 VanDerWaalsContact O-CB 3.27Å; R64-E68 WeakPolarHBondContact O-CB 3.3Å; R64-E68 PolarHBondContact O-N 2.97Å; R65-E68 PolarHBondContact O-N 2.49Å; E68-S71 PolarHBondContact O-OG 2.76Å; E68-H72 PolarHBondContact O-ND1 3.48Å
69I86.6Confident88.6Confident13 Ų1351.9 Ų51.97%0.06724%0.241CC..Hα-helixtrans-67.4-58.7-180-69175.5000109.8R65 S71 H72 L73 V137 F160R65-I69 HydrophobicContact CG-CD1 3.65Å; R65-I69 HydrophobicContact CG-CG1 4.21Å; R65-I69 WeakPolarHBondContact O-CB 3.46Å; R65-I69 WeakPolarHBondContact O-CG1 3.42Å; R65-I69 PolarHBondContact O-N 2.84Å; I69-S71 VanDerWaalsContact C-N 3.32Å; I69-S71 PolarHBondContact O-N 2.93Å; I69-H72 PolarHBondContact O-N 3.35Å; I69-H72 VanDerWaalsContact O-N 3.11Å; I69-L73 HydrophobicContact CG2-CD1 3.89Å; I69-L73 HydrophobicContact CG2-CG 4.42Å; I69-L73 WeakPolarHBondContact O-CG 3.19Å; I69-V137 HydrophobicContact CG2-CG1 3.77Å; I69-V137 HydrophobicContact CG2-CG2 3.96Å; I69-F160 HydrophobicContact CG2-CD1 3.98Å
70Q89.9Confident89.3Confident1 Ų154.7 Ų54.71%0.00525%0.25CC..Hα-helixtrans-67.3-31.3-168.1-161.11792.700112.8E66 H72 L73 L79 F81 F160E66-Q70 WeakPolarHBondContact O-CB 3.49Å; E66-Q70 PolarHBondContact O-N 3.27Å; Q70-H72 PolarHBondContact O-N 2.83Å; Q70-L73 PolarHBondContact O-N 3.38Å; Q70-L73 VanDerWaalsContact O-N 3.16Å; Q70-L79 PolarHBondContact NE2-O 2.83Å; Q70-F81 HydrophobicContact CB-CB 4.26Å; Q70-F81 HydrophobicContact CG-CB 3.91Å; Q70-F160 HydrophobicContact CB-CD2 4.44Å; Q70-F160 HydrophobicContact CG-CD2 3.95Å; Q70-F160 HydrophobicContact CG-CE2 4.32Å
71S90.4Very high89.8Confident39 Ų3952.1 Ų52.127%0.27324%0.237SC..Hα-helixtrans-62.9-24.3176.261.70000113.9I67 E68 I69I67-S71 WeakPolarHBondContact O-CB 3.16Å; I67-S71 PolarHBondContact O-N 2.8Å; I67-S71 PolarHBondContact O-OG 3.4Å; E68-S71 PolarHBondContact O-OG 2.76Å; I69-S71 VanDerWaalsContact C-N 3.32Å; I69-S71 PolarHBondContact O-N 2.93Å
72H90.7Very high90.5Very high123 Ų12349.8 Ų49.857%0.56922%0.224SC*.THydrogen-bonded Turntrans-97-1.4178.4-63.696000113.6E68 I69 Q70 Y131 K135E68-H72 PolarHBondContact O-ND1 3.48Å; I69-H72 PolarHBondContact O-N 3.35Å; I69-H72 VanDerWaalsContact O-N 3.11Å; Q70-H72 PolarHBondContact O-N 2.83Å; H72-Y131 PolarHBondContact O-OH 3.14Å; H72-K135 PolarHBondContact O-NZ 2.83Å
73L92.8Very high91.2Very high5 Ų548.6 Ų48.63%0.02622%0.219CC..  trans-90.8127.7177.7-59.3179.3000111.1I69 Q70 I78 R80 Y131 K135 V137 F160I69-L73 HydrophobicContact CG2-CD1 3.89Å; I69-L73 HydrophobicContact CG2-CG 4.42Å; I69-L73 WeakPolarHBondContact O-CG 3.19Å; Q70-L73 PolarHBondContact O-N 3.38Å; Q70-L73 VanDerWaalsContact O-N 3.16Å; L73-I78 HydrophobicContact CB-CD1 4.3Å; L73-I78 HydrophobicContact CB-CG2 4.14Å; L73-I78 HydrophobicContact CD1-CD1 4.31Å; L73-I78 HydrophobicContact CD1-CG2 4.41Å; L73-R80 PolarHBondContact O-NH1 3.11Å; L73-R80 VanDerWaalsContact O-NH1 3.16Å; L73-Y131 HydrophobicContact CB-CE1 4.08Å; L73-Y131 HydrophobicContact CD2-CD1 4.33Å; L73-Y131 HydrophobicContact CD2-CE1 3.63Å; L73-Y131 HydrophobicContact CG-CE1 4.42Å; L73-K135 HydrophobicContact CD2-CD 3.95Å; L73-V137 HydrophobicContact CD2-CG2 4.49Å; L73-F160 HydrophobicContact CD1-CD1 3.81Å; L73-F160 HydrophobicContact CD1-CE1 3.25Å; L73-F160 HydrophobicContact CD1-CE2 4.33Å; L73-F160 HydrophobicContact CD1-CZ 3.56Å
74K94.8Very high91.7Very high134 Ų13451.7 Ų51.758%0.58323%0.23SC*.  trans-13883.7-174.8-47.2-153165.5168.90108.9Y131K74-Y131 PolarHBondContact N-OH 3.07Å
75H96.9Very high92.2Very high27 Ų2747 Ų4713%0.12521%0.212CC..  trans-143.2142.4-178.1-172.4-93000110N77 I78 D127 A128 Y131H75-N77 PolarHBondContact ND1-N 2.98Å; H75-N77 PolarHBondContact O-N 2.83Å; H75-I78 HydrophobicContact CB-CB 4.11Å; H75-I78 HydrophobicContact CB-CD1 3.73Å; H75-I78 HydrophobicContact CB-CG1 3.86Å; H75-I78 PolarHBondContact O-N 3.05Å; H75-I78 VanDerWaalsContact O-N 3.14Å; H75-D127 IonicContact CE1-OD2 2.7Å; H75-D127 IonicContact NE2-OD1 3.81Å; H75-D127 IonicContact NE2-OD2 3.32Å; H75-D127 PolarHBondContact NE2-OD2 3.49Å; H75-A128 VanDerWaalsContact CE1-CA 3.5Å; H75-A128 WeakPolarHBondContact CE1-CA 3.36Å; H75-A128 PolarHBondContact CE1-N 2.65Å; H75-Y131 HydrophobicContact CB-CD1 3.86Å; H75-Y131 HydrophobicContact CB-CE1 4.16Å; H75-Y131 HydrophobicContact CB-CG 4.14Å; H75-Y131 AromaticContact CD2-CG 4Å
76P97.1Very high92.8Very high45 Ų4547.1 Ų47.129%0.29222%0.218SC..THydrogen-bonded Turntrans-57.7-31.9-17921.3-34.5000113.7K156 L276 P277P76-K156 WeakPolarHBondContact O-CD 3.2Å; P76-K156 WeakPolarHBondContact O-CE 3.31Å; P76-K156 PolarHBondContact O-NZ 2.85Å; P76-L276 HydrophobicContact CG-CD2 4.23Å; P76-P277 HydrophobicContact CB-CG 4.09Å
77N98.1Very high93.3Very high0 Ų048.7 Ų48.70%023%0.227CC..THydrogen-bonded Turntrans-100.518.1-179.7-59100.7000114.4H75 E124 A128 L155 K156 I157 R274H75-N77 PolarHBondContact ND1-N 2.98Å; H75-N77 PolarHBondContact O-N 2.83Å; N77-E124 HydrophobicContact CB-CB 4.34Å; N77-E124 VanDerWaalsContact ND2-CD 3.29Å; N77-E124 WeakPolarHBondContact ND2-CG 3.31Å; N77-E124 PolarHBondContact ND2-OE1 2.89Å; N77-A128 HydrophobicContact CB-CB 4.02Å; N77-L155 WeakPolarHBondContact CA-O 3.5Å; N77-L155 WeakPolarHBondContact CB-O 3.49Å; N77-L155 PolarHBondContact ND2-O 2.83Å; N77-K156 WeakPolarHBondContact O-CA 3.08Å; N77-I157 PolarHBondContact O-N 3.25Å; N77-R274 PolarHBondContact OD1-NH2 3.47Å
78I97.7Very high93.5Very high4 Ų459.2 Ų59.22%0.02127%0.265CS..BIsolated β-bridgetrans-116.8130.3169.7-63.3176.6000107.8L73 H75 R80 A128 Y131 C132 F160L73-I78 HydrophobicContact CB-CD1 4.3Å; L73-I78 HydrophobicContact CB-CG2 4.14Å; L73-I78 HydrophobicContact CD1-CD1 4.31Å; L73-I78 HydrophobicContact CD1-CG2 4.41Å; H75-I78 HydrophobicContact CB-CB 4.11Å; H75-I78 HydrophobicContact CB-CD1 3.73Å; H75-I78 HydrophobicContact CB-CG1 3.86Å; H75-I78 PolarHBondContact O-N 3.05Å; H75-I78 VanDerWaalsContact O-N 3.14Å; I78-R80 PolarHBondContact O-N 2.68Å; I78-R80 VanDerWaalsContact O-N 3.14Å; I78-A128 HydrophobicContact CD1-CB 4.47Å; I78-A128 HydrophobicContact CG1-CB 3.98Å; I78-Y131 HydrophobicContact CD1-CD1 3.73Å; I78-Y131 HydrophobicContact CD1-CE1 4.15Å; I78-C132 VanDerWaalsContact CD1-SG 3.55Å; I78-F160 HydrophobicContact CD1-CZ 4.38Å; I78-F160 HydrophobicContact CG1-CZ 4.46Å; I78-F160 HydrophobicContact CG2-CE2 3.72Å; I78-F160 HydrophobicContact CG2-CZ 3.69Å
79L96.6Very high93.9Very high7 Ų760.6 Ų60.64%0.03727%0.269CS..PPolyproline II helixtrans-60.4118.9179.1-165.777.1000109.6Q70 F81 L95 E96 A98 L148 K156 I157 A158Q70-L79 PolarHBondContact NE2-O 2.83Å; L79-F81 PolarHBondContact O-N 3.45Å; L79-L95 HydrophobicContact CD2-CB 4.39Å; L79-L95 HydrophobicContact CD2-CD1 4.49Å; L79-E96 HydrophobicContact CD1-CB 3.93Å; L79-E96 HydrophobicContact CD1-CG 4.11Å; L79-E96 HydrophobicContact CG-CB 4.17Å; L79-A98 HydrophobicContact CD1-CB 4.13Å; L79-L148 HydrophobicContact CD1-CD1 4.1Å; L79-L148 HydrophobicContact CD2-CD1 3.91Å; L79-K156 HydrophobicContact CB-CB 4.36Å; L79-K156 HydrophobicContact CD1-CB 4.08Å; L79-K156 HydrophobicContact CD1-CG 4.39Å; L79-I157 VanDerWaalsContact CB-O 3.28Å; L79-I157 WeakPolarHBondContact CB-O 3.38Å; L79-I157 PolarHBondContact N-O 3.39Å; L79-A158 HydrophobicContact CB-CB 4.19Å; L79-A158 HydrophobicContact CD2-CB 3.83Å
80R95.2Very high94.3Very high77 Ų7763.9 Ų63.929%0.29128%0.281SS..PPolyproline II helixtrans-69.7127.3-173.5177.258.2149.6-135-14.7111.5L73 I78 Y82 L95 E96L73-R80 PolarHBondContact O-NH1 3.11Å; L73-R80 VanDerWaalsContact O-NH1 3.16Å; I78-R80 PolarHBondContact O-N 2.68Å; I78-R80 VanDerWaalsContact O-N 3.14Å; R80-Y82 HydrophobicContact CB-CE1 4.15Å; R80-Y82 HydrophobicContact CG-CD1 3.62Å; R80-Y82 HydrophobicContact CG-CE1 3.34Å; R80-Y82 HydrophobicContact CG-CG 4.39Å; R80-L95 CarbonylContact O-C 3.52Å; R80-L95 WeakPolarHBondContact O-CA 3.47Å; R80-E96 HydrophobicContact CB-CB 3.92Å; R80-E96 PolarHBondContact N-OE2 2.88Å; R80-E96 PolarHBondContact O-N 3.33Å
81F94.8Very high94.5Very high10 Ų1064.6 Ų64.64%0.04429%0.285CS..EExtended strand (participates in β ladder)trans-87.8117.7163.7-174.7-80.6000109.6I67 Q70 L79 N83 Y84 L93 L95I67-F81 HydrophobicContact CB-CZ 4.4Å; I67-F81 HydrophobicContact CG1-CE2 4.17Å; I67-F81 HydrophobicContact CG1-CZ 4.21Å; I67-F81 HydrophobicContact CG2-CE1 4.41Å; I67-F81 HydrophobicContact CG2-CE2 4.48Å; I67-F81 HydrophobicContact CG2-CZ 3.84Å; Q70-F81 HydrophobicContact CB-CB 4.26Å; Q70-F81 HydrophobicContact CG-CB 3.91Å; L79-F81 PolarHBondContact O-N 3.45Å; F81-N83 VanDerWaalsContact CE1-C 3.5Å; F81-N83 WeakPolarHBondContact CZ-O 3.45Å; F81-Y84 HydrophobicContact CE1-CD1 4.13Å; F81-Y84 AromaticContact CZ-CD1 3.87Å; F81-Y84 HydrophobicContact CZ-CD1 3.87Å; F81-Y84 HydrophobicContact CZ-CG 4.26Å; F81-L93 HydrophobicContact CE2-CB 4.07Å; F81-L93 HydrophobicContact CE2-CD1 4.34Å; F81-L93 HydrophobicContact CE2-CD2 4.08Å; F81-L93 HydrophobicContact CE2-CG 4.39Å; F81-L93 HydrophobicContact CZ-CD2 4.45Å; F81-L95 HydrophobicContact CB-CD2 4.26Å; F81-L95 HydrophobicContact CD2-CD2 3.6Å; F81-L95 HydrophobicContact CE2-CD2 4.39Å; F81-L95 HydrophobicContact CG-CD2 4.26Å
82Y93.3Very high94.7Very high90 Ų9062.9 Ų62.935%0.35327%0.273SS..EExtended strand (participates in β ladder)trans-89.7-47.1-179.7-62-61.2000112.2F42 V44 R80 I94 E96F42-Y82 HydrophobicContact CE1-CD2 4.39Å; F42-Y82 HydrophobicContact CE1-CE1 4.33Å; F42-Y82 AromaticContact CE1-CE2 3.64Å; F42-Y82 HydrophobicContact CE1-CE2 3.64Å; F42-Y82 AromaticContact CE1-CZ 3.63Å; F42-Y82 HydrophobicContact CZ-CE2 4.35Å; F42-Y82 AromaticContact CZ-CZ 3.94Å; F42-Y82 WeakPolarHBondContact CZ-OH 3.4Å; V44-Y82 HydrophobicContact CG1-CD2 4.18Å; V44-Y82 HydrophobicContact CG1-CE2 4.17Å; R80-Y82 HydrophobicContact CB-CE1 4.15Å; R80-Y82 HydrophobicContact CG-CD1 3.62Å; R80-Y82 HydrophobicContact CG-CE1 3.34Å; R80-Y82 HydrophobicContact CG-CG 4.39Å; Y82-I94 HydrophobicContact CD2-CG2 4.12Å; Y82-I94 PolarHBondContact N-O 3.43Å; Y82-E96 HydrophobicContact CE2-CB 4.13Å
83N92.9Very high94.8Very high30 Ų3057 Ų5716%0.1625%0.246CC..EExtended strand (participates in β ladder)trans-169.6179.3-178.8-137.3-49.7000111.3I10 F13 F81 I94I10-N83 WeakPolarHBondContact CG2-ND2 3.4Å; I10-N83 WeakPolarHBondContact CG2-OD1 3.31Å; F13-N83 HydrophobicContact CD2-CB 4.41Å; F13-N83 HydrophobicContact CE2-CB 4.3Å; F81-N83 VanDerWaalsContact CE1-C 3.5Å; F81-N83 WeakPolarHBondContact CZ-O 3.45Å; N83-I94 HydrophobicContact CB-CD1 3.93Å; N83-I94 HydrophobicContact CB-CG1 4.48Å; N83-I94 PolarHBondContact N-O 3.38Å; N83-I94 WeakPolarHBondContact O-CB 3.5Å; N83-I94 PolarHBondContact O-N 3.39Å
84Y93.8Very high95Very high85 Ų8557 Ų5733%0.33325%0.246SC..EExtended strand (participates in β ladder)trans-140.3161.4165.669.2-76.9000111.3I67 F81 F92I67-Y84 HydrophobicContact CD1-CG 4.47Å; I67-Y84 HydrophobicContact CG2-CD1 3.84Å; I67-Y84 HydrophobicContact CG2-CE1 3.89Å; I67-Y84 HydrophobicContact CG2-CG 4.49Å; F81-Y84 HydrophobicContact CE1-CD1 4.13Å; F81-Y84 AromaticContact CZ-CD1 3.87Å; F81-Y84 HydrophobicContact CZ-CD1 3.87Å; F81-Y84 HydrophobicContact CZ-CG 4.26Å; Y84-F92 CarbonylContact C-O 3.55Å; Y84-F92 WeakPolarHBondContact CA-O 3.45Å; Y84-F92 VanDerWaalsContact CB-O 3.27Å; Y84-F92 WeakPolarHBondContact CB-O 3.45Å
85F94.4Very high95.1Very high14 Ų1451.2 Ų51.26%0.06122%0.221CC..EExtended strand (participates in β ladder)trans-146.5172.7167.761.6-84.3000109.8F13 T14 I15 F18 L46 F92 I94F13-F85 HydrophobicContact CB-CB 4.11Å; F13-F85 HydrophobicContact CB-CD1 3.55Å; F13-F85 HydrophobicContact CB-CE1 4.09Å; F13-F85 HydrophobicContact CB-CG 3.89Å; F13-F85 VanDerWaalsContact O-CB 3.29Å; F13-F85 WeakPolarHBondContact O-CB 3.27Å; F13-F85 WeakPolarHBondContact O-CG 3.12Å; T14-F85 VanDerWaalsContact C-CE2 3.49Å; I15-F85 HydrophobicContact CB-CE2 4.39Å; F18-F85 HydrophobicContact CD2-CE1 4.26Å; F18-F85 HydrophobicContact CD2-CZ 4.14Å; F18-F85 AromaticContact CE2-CE1 3.57Å; F18-F85 HydrophobicContact CE2-CE1 3.57Å; F18-F85 AromaticContact CE2-CZ 3.87Å; F18-F85 HydrophobicContact CE2-CZ 3.87Å; F18-F85 HydrophobicContact CZ-CE1 4.16Å; L46-F85 HydrophobicContact CD1-CE1 3.93Å; L46-F85 HydrophobicContact CD1-CZ 4.22Å; L46-F85 HydrophobicContact CD2-CZ 4.46Å; F85-F92 HydrophobicContact CD1-CB 3.83Å; F85-F92 HydrophobicContact CD2-CB 3.93Å; F85-F92 AromaticContact CD2-CD2 3.51Å; F85-F92 HydrophobicContact CD2-CD2 3.51Å; F85-F92 HydrophobicContact CD2-CE2 4.19Å; F85-F92 AromaticContact CD2-CG 3.89Å; F85-F92 HydrophobicContact CD2-CG 3.89Å; F85-F92 HydrophobicContact CE1-CB 3.53Å; F85-F92 HydrophobicContact CE1-CG 4.14Å; F85-F92 HydrophobicContact CE2-CB 3.62Å; F85-F92 AromaticContact CE2-CD1 3.92Å; F85-F92 HydrophobicContact CE2-CD1 3.92Å; F85-F92 AromaticContact CE2-CD2 3.25Å; F85-F92 HydrophobicContact CE2-CD2 3.25Å; F85-F92 HydrophobicContact CE2-CE1 4.38Å; F85-F92 AromaticContact CE2-CE2 3.77Å; F85-F92 HydrophobicContact CE2-CE2 3.77Å; F85-F92 AromaticContact CE2-CG 3.33Å; F85-F92 HydrophobicContact CE2-CG 3.33Å; F85-F92 HydrophobicContact CE2-CZ 4.28Å; F85-F92 HydrophobicContact CG-CB 4.03Å; F85-F92 HydrophobicContact CG-CD2 4.35Å; F85-F92 HydrophobicContact CG-CG 4.49Å; F85-F92 HydrophobicContact CZ-CB 3.42Å; F85-F92 VanDerWaalsContact CZ-CB 3.42Å; F85-F92 AromaticContact CZ-CD1 3.85Å; F85-F92 HydrophobicContact CZ-CD1 3.85Å; F85-F92 AromaticContact CZ-CD2 3.94Å; F85-F92 HydrophobicContact CZ-CD2 3.94Å; F85-F92 AromaticContact CZ-CG 3.48Å; F85-F92 HydrophobicContact CZ-CG 3.48Å; F85-F92 VanDerWaalsContact CZ-CG 3.48Å; F85-F92 PolarHBondContact N-O 3.48Å; F85-F92 PolarHBondContact O-N 3.08Å; F85-I94 HydrophobicContact CD1-CD1 4.05Å; F85-I94 HydrophobicContact CD1-CG1 4.19Å; F85-I94 HydrophobicContact CE1-CD1 4.08Å; F85-I94 HydrophobicContact CE1-CG1 4.04Å
86H93.8Very high95Very high121 Ų12151.6 Ų51.656%0.5622%0.223SC*.EExtended strand (participates in β ladder)trans-145.7153177.67278.5000111.1K51 R90 V91K51-H86 PolarHBondContact NZ-ND1 2.83Å; H86-R90 CarbonylContact C-O 3.56Å; H86-R90 VanDerWaalsContact CA-O 3.28Å; H86-R90 WeakPolarHBondContact CA-O 3.13Å; H86-R90 WeakPolarHBondContact CB-O 3.45Å; H86-V91 HydrophobicContact CB-CG2 4.16Å
87D93.9Very high95Very high48 Ų4851.9 Ų51.926%0.25722%0.219SC..  trans-112.2-162.1167.769.631.5000110.1K51 K89 R90 F92K51-D87 WeakPolarHBondContact CE-O 3.37Å; K51-D87 PolarHBondContact NZ-O 3.06Å; D87-K89 VanDerWaalsContact C-N 3.3Å; D87-K89 PolarHBondContact O-N 2.83Å; D87-K89 WeakPolarHBondContact OD1-CA 3.43Å; D87-K89 PolarHBondContact OD1-N 2.88Å; D87-R90 PolarHBondContact N-O 2.72Å; D87-R90 PolarHBondContact OD1-N 2.8Å; D87-R90 IonicContact OD1-NE 2.76Å; D87-R90 IonicContact OD2-CZ 3.35Å; D87-R90 IonicContact OD2-NE 3.73Å; D87-R90 PolarHBondContact OD2-NE 2.88Å; D87-R90 IonicContact OD2-NH2 3.68Å; D87-R90 PolarHBondContact OD2-NH2 2.75Å; D87-F92 HydrophobicContact CB-CE2 4.29Å; D87-F92 WeakPolarHBondContact OD2-CE2 3.49Å; D87-F92 WeakPolarHBondContact OD2-CZ 3.48Å
88R93.8Very high94.9Very high243 Ų24352.4 Ų52.492%0.91722%0.223SC*.SBendtrans-63.2-33.7178.2-67.9-176.4179.7177.50.2113.1
89K94.2Very high94.8Very high157 Ų15754.6 Ų54.668%0.68324%0.237SC*.SBendtrans-114.5-20.8-170.2-63.3-174.4178.2-177.20113.9K51 D87K51-K89 WeakPolarHBondContact CB-O 3.22Å; K51-K89 PolarHBondContact N-O 3.03Å; D87-K89 VanDerWaalsContact C-N 3.3Å; D87-K89 PolarHBondContact O-N 2.83Å; D87-K89 WeakPolarHBondContact OD1-CA 3.43Å; D87-K89 PolarHBondContact OD1-N 2.88Å
90R94.8Very high94.8Very high81 Ų8160.6 Ų60.631%0.30626%0.259SS..EExtended strand (participates in β ladder)trans-134151.9-165.8-62.4171.3-65.8-176.94.8112.4V48 L49 F50 H86 D87 F92V48-R90 HydrophobicContact CG1-CB 4.23Å; V48-R90 HydrophobicContact CG1-CG 4.16Å; L49-R90 CarbonylContact O-C 3.4Å; L49-R90 WeakPolarHBondContact O-CA 3.13Å; F50-R90 HydrophobicContact CD1-CG 3.99Å; F50-R90 HydrophobicContact CE1-CG 4.1Å; H86-R90 CarbonylContact C-O 3.56Å; H86-R90 VanDerWaalsContact CA-O 3.28Å; H86-R90 WeakPolarHBondContact CA-O 3.13Å; H86-R90 WeakPolarHBondContact CB-O 3.45Å; D87-R90 PolarHBondContact N-O 2.72Å; D87-R90 PolarHBondContact OD1-N 2.8Å; D87-R90 IonicContact OD1-NE 2.76Å; D87-R90 IonicContact OD2-CZ 3.35Å; D87-R90 IonicContact OD2-NE 3.73Å; D87-R90 PolarHBondContact OD2-NE 2.88Å; D87-R90 IonicContact OD2-NH2 3.68Å; D87-R90 PolarHBondContact OD2-NH2 2.75Å; R90-F92 HydrophobicContact CB-CD2 4.33Å; R90-F92 HydrophobicContact CB-CE2 3.63Å; R90-F92 HydrophobicContact CB-CZ 3.78Å; R90-F92 HydrophobicContact CG-CZ 4.49Å
91V93.6Very high94.8Very high17 Ų1758.2 Ų58.210%0.10326%0.259CS..EExtended strand (participates in β ladder)trans-110.6139.9163.8179.70000107.8L49 K51 M54 L63 H86 L93L49-V91 HydrophobicContact CB-CB 4.41Å; L49-V91 PolarHBondContact N-O 2.72Å; L49-V91 PolarHBondContact O-N 2.74Å; K51-V91 HydrophobicContact CG-CG2 4.18Å; M54-V91 HydrophobicContact CE-CB 4.46Å; M54-V91 HydrophobicContact CE-CG2 3.9Å; L63-V91 HydrophobicContact CD2-CG1 4.29Å; H86-V91 HydrophobicContact CB-CG2 4.16Å; V91-L93 HydrophobicContact CG1-CD2 3.97Å
92F94.7Very high94.8Very high2 Ų260.1 Ų60.11%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-123.3122.5-177.6-58.9-98.1000109I15 L46 K47 V48 Y84 F85 D87 R90I15-F92 HydrophobicContact CB-CZ 4.49Å; I15-F92 HydrophobicContact CD1-CD1 4.15Å; I15-F92 HydrophobicContact CD1-CE1 3.69Å; I15-F92 HydrophobicContact CD1-CZ 4.37Å; I15-F92 HydrophobicContact CG1-CE1 4.36Å; L46-F92 HydrophobicContact CD1-CB 4.15Å; L46-F92 HydrophobicContact CD2-CD1 3.92Å; L46-F92 HydrophobicContact CG-CD1 4.2Å; K47-F92 CarbonylContact O-C 3.59Å; K47-F92 WeakPolarHBondContact O-CA 3.28Å; V48-F92 HydrophobicContact CB-CD1 4.41Å; V48-F92 HydrophobicContact CB-CE1 4.48Å; V48-F92 HydrophobicContact CG1-CD1 4.14Å; V48-F92 HydrophobicContact CG1-CE1 3.84Å; V48-F92 HydrophobicContact CG1-CZ 4.45Å; V48-F92 HydrophobicContact CG2-CD1 3.78Å; V48-F92 HydrophobicContact CG2-CE1 3.94Å; Y84-F92 CarbonylContact C-O 3.55Å; Y84-F92 WeakPolarHBondContact CA-O 3.45Å; Y84-F92 VanDerWaalsContact CB-O 3.27Å; Y84-F92 WeakPolarHBondContact CB-O 3.45Å; F85-F92 HydrophobicContact CD1-CB 3.83Å; F85-F92 HydrophobicContact CD2-CB 3.93Å; F85-F92 AromaticContact CD2-CD2 3.51Å; F85-F92 HydrophobicContact CD2-CD2 3.51Å; F85-F92 HydrophobicContact CD2-CE2 4.19Å; F85-F92 AromaticContact CD2-CG 3.89Å; F85-F92 HydrophobicContact CD2-CG 3.89Å; F85-F92 HydrophobicContact CE1-CB 3.53Å; F85-F92 HydrophobicContact CE1-CG 4.14Å; F85-F92 HydrophobicContact CE2-CB 3.62Å; F85-F92 AromaticContact CE2-CD1 3.92Å; F85-F92 HydrophobicContact CE2-CD1 3.92Å; F85-F92 AromaticContact CE2-CD2 3.25Å; F85-F92 HydrophobicContact CE2-CD2 3.25Å; F85-F92 HydrophobicContact CE2-CE1 4.38Å; F85-F92 AromaticContact CE2-CE2 3.77Å; F85-F92 HydrophobicContact CE2-CE2 3.77Å; F85-F92 AromaticContact CE2-CG 3.33Å; F85-F92 HydrophobicContact CE2-CG 3.33Å; F85-F92 HydrophobicContact CE2-CZ 4.28Å; F85-F92 HydrophobicContact CG-CB 4.03Å; F85-F92 HydrophobicContact CG-CD2 4.35Å; F85-F92 HydrophobicContact CG-CG 4.49Å; F85-F92 HydrophobicContact CZ-CB 3.42Å; F85-F92 VanDerWaalsContact CZ-CB 3.42Å; F85-F92 AromaticContact CZ-CD1 3.85Å; F85-F92 HydrophobicContact CZ-CD1 3.85Å; F85-F92 AromaticContact CZ-CD2 3.94Å; F85-F92 HydrophobicContact CZ-CD2 3.94Å; F85-F92 AromaticContact CZ-CG 3.48Å; F85-F92 HydrophobicContact CZ-CG 3.48Å; F85-F92 VanDerWaalsContact CZ-CG 3.48Å; F85-F92 PolarHBondContact N-O 3.48Å; F85-F92 PolarHBondContact O-N 3.08Å; D87-F92 HydrophobicContact CB-CE2 4.29Å; D87-F92 WeakPolarHBondContact OD2-CE2 3.49Å; D87-F92 WeakPolarHBondContact OD2-CZ 3.48Å; R90-F92 HydrophobicContact CB-CD2 4.33Å; R90-F92 HydrophobicContact CB-CE2 3.63Å; R90-F92 HydrophobicContact CB-CZ 3.78Å; R90-F92 HydrophobicContact CG-CZ 4.49Å
93L94.6Very high94.9Very high0 Ų055.9 Ų55.90%025%0.251CS..EExtended strand (participates in β ladder)trans-102.9128.7172.9-42.7-176.4000108.7L46 K47 L49 L63 I67 F81 V91 L95L46-L93 WeakPolarHBondContact CA-O 3.27Å; K47-L93 HydrophobicContact CB-CB 4.2Å; K47-L93 HydrophobicContact CD-CD1 4.16Å; K47-L93 PolarHBondContact N-O 2.65Å; K47-L93 PolarHBondContact O-N 3.28Å; L49-L93 HydrophobicContact CD1-CD1 4.14Å; L49-L93 HydrophobicContact CD1-CG 4.29Å; L63-L93 HydrophobicContact CD1-CD1 4.17Å; I67-L93 HydrophobicContact CD1-CD2 3.83Å; I67-L93 HydrophobicContact CG1-CD2 3.95Å; F81-L93 HydrophobicContact CE2-CB 4.07Å; F81-L93 HydrophobicContact CE2-CD1 4.34Å; F81-L93 HydrophobicContact CE2-CD2 4.08Å; F81-L93 HydrophobicContact CE2-CG 4.39Å; F81-L93 HydrophobicContact CZ-CD2 4.45Å; V91-L93 HydrophobicContact CG1-CD2 3.97Å; L93-L95 HydrophobicContact CB-CD2 4.27Å; L93-L95 HydrophobicContact CB-CG 4.23Å
94I95.9Very high95Very high6 Ų658.2 Ų58.23%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-96108.2177.3-48.2178.6000107.5F13 F18 V44 L46 Y82 N83 F85F13-I94 HydrophobicContact CB-CD1 4.42Å; F13-I94 HydrophobicContact CD1-CD1 4.38Å; F13-I94 HydrophobicContact CD2-CD1 3.78Å; F13-I94 HydrophobicContact CE2-CD1 4.06Å; F13-I94 HydrophobicContact CG-CD1 3.95Å; F13-I94 HydrophobicContact CZ-CD1 4.46Å; F18-I94 HydrophobicContact CE1-CD1 4.26Å; F18-I94 HydrophobicContact CE1-CG2 4.46Å; F18-I94 HydrophobicContact CE2-CD1 4.36Å; F18-I94 HydrophobicContact CZ-CD1 3.54Å; F18-I94 HydrophobicContact CZ-CG1 4.21Å; V44-I94 HydrophobicContact CB-CG2 4.01Å; V44-I94 HydrophobicContact CG1-CG2 3.89Å; V44-I94 HydrophobicContact CG2-CG2 4.08Å; L46-I94 HydrophobicContact CD1-CG1 4Å; Y82-I94 HydrophobicContact CD2-CG2 4.12Å; Y82-I94 PolarHBondContact N-O 3.43Å; N83-I94 HydrophobicContact CB-CD1 3.93Å; N83-I94 HydrophobicContact CB-CG1 4.48Å; N83-I94 PolarHBondContact N-O 3.38Å; N83-I94 WeakPolarHBondContact O-CB 3.5Å; N83-I94 PolarHBondContact O-N 3.39Å; F85-I94 HydrophobicContact CD1-CD1 4.05Å; F85-I94 HydrophobicContact CD1-CG1 4.19Å; F85-I94 HydrophobicContact CE1-CD1 4.08Å; F85-I94 HydrophobicContact CE1-CG1 4.04Å
95L96.1Very high94.9Very high11 Ų1159.7 Ų59.76%0.05827%0.267CS..EExtended strand (participates in β ladder)trans-117.6157.5-172.6-56.5175000111.3V44 A45 K47 L79 R80 F81 L93 Y97V44-L95 WeakPolarHBondContact CB-O 3.38Å; A45-L95 HydrophobicContact CB-CB 4.28Å; A45-L95 PolarHBondContact N-O 3.19Å; A45-L95 PolarHBondContact O-N 3.05Å; K47-L95 HydrophobicContact CB-CD1 4.02Å; K47-L95 HydrophobicContact CD-CD1 4.22Å; L79-L95 HydrophobicContact CD2-CB 4.39Å; L79-L95 HydrophobicContact CD2-CD1 4.49Å; R80-L95 CarbonylContact O-C 3.52Å; R80-L95 WeakPolarHBondContact O-CA 3.47Å; F81-L95 HydrophobicContact CB-CD2 4.26Å; F81-L95 HydrophobicContact CD2-CD2 3.6Å; F81-L95 HydrophobicContact CE2-CD2 4.39Å; F81-L95 HydrophobicContact CG-CD2 4.26Å; L93-L95 HydrophobicContact CB-CD2 4.27Å; L93-L95 HydrophobicContact CB-CG 4.23Å; L95-Y97 PolarHBondContact O-N 2.94Å
96E96.1Very high95Very high36 Ų3660.3 Ų60.317%0.16827%0.27CS..  trans-55.2135.4165.2175.6174.7-15500110.8L79 R80 Y82 K156L79-E96 HydrophobicContact CD1-CB 3.93Å; L79-E96 HydrophobicContact CD1-CG 4.11Å; L79-E96 HydrophobicContact CG-CB 4.17Å; R80-E96 HydrophobicContact CB-CB 3.92Å; R80-E96 PolarHBondContact N-OE2 2.88Å; R80-E96 PolarHBondContact O-N 3.33Å; Y82-E96 HydrophobicContact CE2-CB 4.13Å; E96-K156 WeakPolarHBondContact OE1-CE 3.36Å; E96-K156 IonicContact OE1-NZ 3.09Å; E96-K156 PolarHBondContact OE1-NZ 3.37Å; E96-K156 IonicContact OE2-NZ 2.78Å; E96-K156 PolarHBondContact OE2-NZ 3.09Å
97Y96.9Very high95.2Very high51 Ų5154.6 Ų54.620%0.224%0.243CC..  trans-84.1119.4171.9176.5-130.4000109.7L24 L34 I43 L95 P99L24-Y97 HydrophobicContact CD1-CD2 3.7Å; L24-Y97 HydrophobicContact CD1-CE2 3.68Å; L24-Y97 HydrophobicContact CD2-CE2 3.73Å; L24-Y97 HydrophobicContact CG-CE2 4.37Å; L34-Y97 HydrophobicContact CD1-CD1 3.79Å; L34-Y97 HydrophobicContact CD1-CD2 3.84Å; L34-Y97 HydrophobicContact CD1-CE1 3.77Å; L34-Y97 HydrophobicContact CD1-CE2 3.88Å; L34-Y97 HydrophobicContact CD1-CG 3.82Å; I43-Y97 HydrophobicContact CG2-CD1 3.66Å; I43-Y97 HydrophobicContact CG2-CE1 4.41Å; I43-Y97 HydrophobicContact CG2-CG 4.12Å; L95-Y97 PolarHBondContact O-N 2.94Å; Y97-P99 HydrophobicContact CD1-CB 4.28Å; Y97-P99 HydrophobicContact CE1-CB 3.71Å; Y97-P99 VanDerWaalsContact O-CD 3.27Å; Y97-P99 WeakPolarHBondContact O-CD 3.47Å
98A97Very high95.2Very high10 Ų1057.1 Ų57.18%0.08325%0.254CS..  trans-95.598.6172.100000109.4L79 R100 G101 L148 L149L79-A98 HydrophobicContact CD1-CB 4.13Å; A98-R100 VanDerWaalsContact C-N 3.29Å; A98-R100 PolarHBondContact O-N 3.49Å; A98-G101 PolarHBondContact O-N 3.45Å; A98-G101 VanDerWaalsContact O-N 3.12Å; A98-L148 HydrophobicContact CB-CB 3.57Å; A98-L148 HydrophobicContact CB-CD1 3.93Å; A98-L148 HydrophobicContact CB-CG 4.36Å; A98-L149 CarbonylContact C-O 3.56Å; A98-L149 WeakPolarHBondContact CB-O 3.42Å
99P95.4Very high95.3Very high51 Ų5153.5 Ų53.533%0.33124%0.244SC..THydrogen-bonded Turntrans-69.3-22.7-166.327.9-37.6000114.6Y97 G101 F151Y97-P99 HydrophobicContact CD1-CB 4.28Å; Y97-P99 HydrophobicContact CE1-CB 3.71Å; Y97-P99 VanDerWaalsContact O-CD 3.27Å; Y97-P99 WeakPolarHBondContact O-CD 3.47Å; P99-G101 VanDerWaalsContact C-N 3.33Å; P99-F151 HydrophobicContact CG-CB 4Å; P99-F151 HydrophobicContact CG-CD2 4.3Å
100R96.1Very high95.4Very high132 Ų13251.9 Ų51.950%0.49824%0.235SC..THydrogen-bonded Turntrans-87.6-3.5176.9-66.1-176.4-176.8-148.81.6113.1A98 L149 G150 F151A98-R100 VanDerWaalsContact C-N 3.29Å; A98-R100 PolarHBondContact O-N 3.49Å; R100-L149 HydrophobicContact CB-CB 3.67Å; R100-L149 WeakPolarHBondContact CB-O 3.4Å; R100-L149 PolarHBondContact N-O 3.49Å; R100-L149 VanDerWaalsContact N-O 3.12Å; R100-G150 VanDerWaalsContact CD-O 3.27Å; R100-G150 WeakPolarHBondContact CD-O 3.41Å; R100-G150 VanDerWaalsContact CG-O 3.3Å; R100-G150 WeakPolarHBondContact CG-O 3.36Å; R100-F151 PolarHBondContact NE-O 2.86Å; R100-F151 PolarHBondContact NH2-O 2.92Å; R100-F151 VanDerWaalsContact NH2-O 3.16Å
101G95.3Very high95.5Very high28 Ų2850 Ų5029%0.28924%0.24SC..EExtended strand (participates in β ladder)trans75.2-150.117200000113.3A98 P99 L148 L149A98-G101 PolarHBondContact O-N 3.45Å; A98-G101 VanDerWaalsContact O-N 3.12Å; P99-G101 VanDerWaalsContact C-N 3.33Å; G101-L148 CarbonylContact O-C 3.54Å; G101-L148 WeakPolarHBondContact O-CA 3.45Å; G101-L149 PolarHBondContact O-N 3.3Å
102E94Very high95.7Very high50 Ų5055.3 Ų55.323%0.23426%0.259CS..EExtended strand (participates in β ladder)trans-75.8134.1-175.6-66.8153.6-138.400112.2Y104 K105 E106 L148E102-Y104 PolarHBondContact O-N 2.75Å; E102-K105 HydrophobicContact CB-CB 4.48Å; E102-K105 HydrophobicContact CB-CD 4.3Å; E102-K105 HydrophobicContact CB-CG 4.32Å; E102-K105 PolarHBondContact O-N 2.91Å; E102-K105 IonicContact OE1-NZ 3.57Å; E102-K105 PolarHBondContact OE1-NZ 2.96Å; E102-K105 WeakPolarHBondContact OE2-CE 3.2Å; E102-K105 IonicContact OE2-NZ 3.87Å; E102-K105 PolarHBondContact OE2-NZ 3.37Å; E102-K105 VanDerWaalsContact OE2-NZ 3.08Å; E102-E106 PolarHBondContact O-N 3.12Å; E102-L148 HydrophobicContact CB-CD2 4.3Å; E102-L148 HydrophobicContact CG-CD2 3.75Å
103M96.5Very high95.9Very high0 Ų055.6 Ų55.60%026%0.26CS..Hα-helixtrans-59.7-37.6173178.1-178.5172.900111.4K105 E106 L107 F113 Y121 L147 L149 L155 L203 C207M103-K105 VanDerWaalsContact C-N 3.35Å; M103-K105 PolarHBondContact O-N 3.49Å; M103-E106 CarbonylContact O-C 3.59Å; M103-E106 WeakPolarHBondContact O-CB 3.47Å; M103-E106 PolarHBondContact O-N 3.04Å; M103-E106 VanDerWaalsContact O-N 3.09Å; M103-L107 PolarHBondContact O-N 3.17Å; M103-F113 HydrophobicContact CE-CD2 4.34Å; M103-F113 HydrophobicContact CE-CE2 3.8Å; M103-F113 HydrophobicContact CG-CE2 4.25Å; M103-Y121 HydrophobicContact CE-CD2 3.57Å; M103-Y121 HydrophobicContact CE-CE2 3.91Å; M103-Y121 HydrophobicContact CE-CG 4.42Å; M103-Y121 HydrophobicContact SD-CD2 4.35Å; M103-Y121 HydrophobicContact SD-CE2 4.44Å; M103-L147 HydrophobicContact CB-CB 3.93Å; M103-L147 WeakPolarHBondContact CB-O 3.29Å; M103-L147 PolarHBondContact N-O 3.41Å; M103-L147 HydrophobicContact SD-CB 3.91Å; M103-L147 HydrophobicContact SD-CD1 3.58Å; M103-L147 VanDerWaalsContact SD-CD1 3.58Å; M103-L147 HydrophobicContact SD-CG 4.41Å; M103-L149 HydrophobicContact CB-CD1 4.3Å; M103-L149 HydrophobicContact CB-CD2 4.4Å; M103-L149 HydrophobicContact CB-CG 4.22Å; M103-L155 HydrophobicContact SD-CD1 4.22Å; M103-L203 HydrophobicContact CE-CD1 4.01Å; M103-C207 WeakPolarHBondContact CE-SG 3.3Å
104Y93.1Very high96Very high80 Ų8059.9 Ų59.931%0.31428%0.283SS..Hα-helixtrans-54.4-46.9175.8-178.9-105.5000113E102 E106 L107 Q108 P144 E145E102-Y104 PolarHBondContact O-N 2.75Å; Y104-E106 VanDerWaalsContact C-N 3.26Å; Y104-E106 PolarHBondContact O-N 3.34Å; Y104-L107 PolarHBondContact O-N 2.85Å; Y104-Q108 HydrophobicContact CD1-CG 4.19Å; Y104-Q108 HydrophobicContact CD2-CG 4.46Å; Y104-Q108 HydrophobicContact CE1-CG 3.77Å; Y104-Q108 HydrophobicContact CE2-CG 4.09Å; Y104-Q108 WeakPolarHBondContact O-CG 3.43Å; Y104-Q108 PolarHBondContact O-N 2.88Å; Y104-P144 HydrophobicContact CD2-CB 4.07Å; Y104-P144 HydrophobicContact CG-CB 4.46Å; Y104-P144 PolarHBondContact N-O 3.24Å; Y104-P144 VanDerWaalsContact N-O 3.14Å; Y104-E145 HydrophobicContact CD1-CG 4.38Å; Y104-E145 HydrophobicContact CD2-CG 4.13Å; Y104-E145 HydrophobicContact CG-CG 3.92Å
105K93.2Very high96.1Very high115 Ų11561.4 Ų61.450%0.529%0.291SS..Hα-helixtrans-63.4-36.1177.8-74.2173.7177.51460111.8E102 M103 K109E102-K105 HydrophobicContact CB-CB 4.48Å; E102-K105 HydrophobicContact CB-CD 4.3Å; E102-K105 HydrophobicContact CB-CG 4.32Å; E102-K105 PolarHBondContact O-N 2.91Å; E102-K105 IonicContact OE1-NZ 3.57Å; E102-K105 PolarHBondContact OE1-NZ 2.96Å; E102-K105 WeakPolarHBondContact OE2-CE 3.2Å; E102-K105 IonicContact OE2-NZ 3.87Å; E102-K105 PolarHBondContact OE2-NZ 3.37Å; E102-K105 VanDerWaalsContact OE2-NZ 3.08Å; M103-K105 VanDerWaalsContact C-N 3.35Å; M103-K105 PolarHBondContact O-N 3.49Å; K105-K109 WeakPolarHBondContact O-CB 3.21Å; K105-K109 PolarHBondContact O-N 3.35Å
106E96.7Very high96.3Very high28 Ų2865.4 Ų65.413%0.13131%0.309CS..Hα-helixtrans-68.5-43.3174.9-166.5162.7174.100111.1E102 M103 Y104 Q108 K109 Y110 F113 R117 L149E102-E106 PolarHBondContact O-N 3.12Å; M103-E106 CarbonylContact O-C 3.59Å; M103-E106 WeakPolarHBondContact O-CB 3.47Å; M103-E106 PolarHBondContact O-N 3.04Å; M103-E106 VanDerWaalsContact O-N 3.09Å; Y104-E106 VanDerWaalsContact C-N 3.26Å; Y104-E106 PolarHBondContact O-N 3.34Å; E106-Q108 PolarHBondContact O-N 2.86Å; E106-K109 WeakPolarHBondContact O-CB 3.38Å; E106-K109 PolarHBondContact O-N 3.35Å; E106-Y110 HydrophobicContact CG-CD2 3.65Å; E106-Y110 HydrophobicContact CG-CE2 3.59Å; E106-Y110 VanDerWaalsContact O-CD2 3.24Å; E106-Y110 WeakPolarHBondContact O-CD2 3.33Å; E106-Y110 PolarHBondContact O-N 3.39Å; E106-Y110 WeakPolarHBondContact OE1-CE2 3.49Å; E106-F113 HydrophobicContact CB-CZ 4.22Å; E106-F113 HydrophobicContact CG-CE1 4.07Å; E106-F113 HydrophobicContact CG-CZ 4.15Å; E106-R117 IonicContact OE1-CZ 3.22Å; E106-R117 IonicContact OE1-NH1 2.68Å; E106-R117 PolarHBondContact OE1-NH1 3.36Å; E106-R117 IonicContact OE1-NH2 3.15Å; E106-L149 HydrophobicContact CB-CD1 4.15Å; E106-L149 WeakPolarHBondContact OE2-CD1 3.43Å
107L96.5Very high96.4Very high0 Ų066.8 Ų66.80%031%0.313CS..Hα-helixtrans-60.2-48.1176.4-177.762.2000111.3M103 Y104 K109 Y110 G111 F113 P144 E206M103-L107 PolarHBondContact O-N 3.17Å; Y104-L107 PolarHBondContact O-N 2.85Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.02Å; L107-Y110 PolarHBondContact O-N 2.86Å; L107-G111 CarbonylContact O-C 3.59Å; L107-G111 WeakPolarHBondContact O-CA 3.4Å; L107-G111 PolarHBondContact O-N 3.06Å; L107-F113 VanDerWaalsContact CA-CZ 3.48Å; L107-F113 HydrophobicContact CB-CE1 4.4Å; L107-F113 HydrophobicContact CB-CE2 4.07Å; L107-F113 HydrophobicContact CB-CZ 3.76Å; L107-F113 HydrophobicContact CD1-CD1 4.31Å; L107-F113 HydrophobicContact CD1-CD2 4Å; L107-F113 HydrophobicContact CD1-CE1 4.24Å; L107-F113 HydrophobicContact CD1-CE2 3.91Å; L107-F113 HydrophobicContact CD1-CG 4.21Å; L107-F113 HydrophobicContact CD1-CZ 4.05Å; L107-P144 HydrophobicContact CD2-CG 4.37Å; L107-E206 HydrophobicContact CD2-CG 3.83Å
108Q93.8Very high96.5Very high102 Ų10264.3 Ų64.348%0.47730%0.303SS..Hα-helixtrans-58.3-39.8175.7-72.1-63.5-44.600112.4Y104 E106Y104-Q108 HydrophobicContact CD1-CG 4.19Å; Y104-Q108 HydrophobicContact CD2-CG 4.46Å; Y104-Q108 HydrophobicContact CE1-CG 3.77Å; Y104-Q108 HydrophobicContact CE2-CG 4.09Å; Y104-Q108 WeakPolarHBondContact O-CG 3.43Å; Y104-Q108 PolarHBondContact O-N 2.88Å; E106-Q108 PolarHBondContact O-N 2.86Å
109K96.6Very high96.5Very high166 Ų16663.9 Ų63.972%0.72230%0.299SS*.Hα-helixtrans-64.8-40.6178.2-179.4-176.6175.8-174.70112.7K105 E106 L107K105-K109 WeakPolarHBondContact O-CB 3.21Å; K105-K109 PolarHBondContact O-N 3.35Å; E106-K109 WeakPolarHBondContact O-CB 3.38Å; E106-K109 PolarHBondContact O-N 3.35Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.02Å
110Y96.9Very high96.7Very high124 Ų12462.4 Ų62.449%0.48629%0.29SS..Hα-helixtrans-91.8-11.7-178.2-72.7-79.5000113.2E106 L107 R112 F113E106-Y110 HydrophobicContact CG-CD2 3.65Å; E106-Y110 HydrophobicContact CG-CE2 3.59Å; E106-Y110 VanDerWaalsContact O-CD2 3.24Å; E106-Y110 WeakPolarHBondContact O-CD2 3.33Å; E106-Y110 PolarHBondContact O-N 3.39Å; E106-Y110 WeakPolarHBondContact OE1-CE2 3.49Å; L107-Y110 PolarHBondContact O-N 2.86Å; Y110-R112 PolarHBondContact O-N 3.45Å; Y110-F113 HydrophobicContact CD2-CE1 4.12Å
111G96.4Very high96.8Very high40 Ų4056.7 Ų56.741%0.41227%0.268SS..SBendtrans74.8-49.8-170.700000112.3L107 G210L107-G111 CarbonylContact O-C 3.59Å; L107-G111 WeakPolarHBondContact O-CA 3.4Å; L107-G111 PolarHBondContact O-N 3.06Å; G111-G210 WeakPolarHBondContact O-CA 3.48Å
112R97.3Very high97Very high130 Ų13055.4 Ų55.449%0.49126%0.255SS..SBendtrans-150165.3173.564.8174.1-176.1-147.76.3111Y110 C207 L208Y110-R112 PolarHBondContact O-N 3.45Å; R112-C207 CarbonylContact C-O 3.36Å; R112-L208 WeakPolarHBondContact CD-O 3.22Å
113F98.4Very high97.2Very high7 Ų755.2 Ų55.23%0.03125%0.254CS..  trans-100.3157.1171.3-59.5-32.6000111.5M103 E106 L107 Y110 R117 Y121 C207M103-F113 HydrophobicContact CE-CD2 4.34Å; M103-F113 HydrophobicContact CE-CE2 3.8Å; M103-F113 HydrophobicContact CG-CE2 4.25Å; E106-F113 HydrophobicContact CB-CZ 4.22Å; E106-F113 HydrophobicContact CG-CE1 4.07Å; E106-F113 HydrophobicContact CG-CZ 4.15Å; L107-F113 VanDerWaalsContact CA-CZ 3.48Å; L107-F113 HydrophobicContact CB-CE1 4.4Å; L107-F113 HydrophobicContact CB-CE2 4.07Å; L107-F113 HydrophobicContact CB-CZ 3.76Å; L107-F113 HydrophobicContact CD1-CD1 4.31Å; L107-F113 HydrophobicContact CD1-CD2 4Å; L107-F113 HydrophobicContact CD1-CE1 4.24Å; L107-F113 HydrophobicContact CD1-CE2 3.91Å; L107-F113 HydrophobicContact CD1-CG 4.21Å; L107-F113 HydrophobicContact CD1-CZ 4.05Å; Y110-F113 HydrophobicContact CD2-CE1 4.12Å; F113-R117 HydrophobicContact CB-CB 4.28Å; F113-R117 HydrophobicContact CB-CG 4.39Å; F113-R117 VanDerWaalsContact CD1-CD 3.49Å; F113-R117 HydrophobicContact CG-CG 4.32Å; F113-Y121 HydrophobicContact CD2-CD2 4.26Å; F113-Y121 AromaticContact CD2-CE2 3.95Å; F113-Y121 HydrophobicContact CD2-CE2 3.95Å; F113-Y121 HydrophobicContact CE2-CD2 4.33Å; F113-Y121 AromaticContact CE2-CE2 3.75Å; F113-Y121 HydrophobicContact CE2-CE2 3.75Å; F113-Y121 HydrophobicContact CZ-CE2 4.43Å; F113-C207 HydrophobicContact CD2-CB 4.01Å; F113-C207 PolarHBondContact N-O 3.38Å
114D98.2Very high97.3Very high90 Ų9055.4 Ų55.448%0.48126%0.255SS..  trans-82.6173.917461.49000111.6Q116 R117 T118D114-Q116 VanDerWaalsContact C-N 3.29Å; D114-Q116 PolarHBondContact O-N 3.34Å; D114-R117 PolarHBondContact O-N 2.8Å; D114-R117 WeakPolarHBondContact OD1-CB 3.27Å; D114-R117 PolarHBondContact OD1-N 2.84Å; D114-T118 WeakPolarHBondContact O-CB 3.47Å; D114-T118 PolarHBondContact O-N 2.73Å; D114-T118 PolarHBondContact O-OG1 3.39Å
115D98.4Very high97.6Very high39 Ų3951.6 Ų51.621%0.20924%0.24CC..Hα-helixtrans-59.8-40.3179.3-8022.6000111.5A119 L208 S238 W267D115-A119 WeakPolarHBondContact O-CB 3.37Å; D115-A119 PolarHBondContact O-N 2.71Å; D115-L208 WeakPolarHBondContact OD1-CD2 3.48Å; D115-S238 WeakPolarHBondContact OD2-CB 3.33Å; D115-S238 PolarHBondContact OD2-OG 3.12Å; D115-W267 HydrophobicContact CB-CZ2 3.86Å; D115-W267 PolarHBondContact OD2-NE1 2.91Å
116Q98.6Very high97.9Very high94 Ų9446.1 Ų46.144%0.43922%0.216SC..Hα-helixtrans-61-50.9-179.2-168.7-172.8-9300111.7D114 T120 N271 R273D114-Q116 VanDerWaalsContact C-N 3.29Å; D114-Q116 PolarHBondContact O-N 3.34Å; Q116-T120 WeakPolarHBondContact O-CB 3.37Å; Q116-T120 PolarHBondContact O-N 3.5Å; Q116-T120 PolarHBondContact O-OG1 3.49Å; Q116-N271 VanDerWaalsContact CG-O 3.26Å; Q116-N271 WeakPolarHBondContact CG-O 3.49Å; Q116-R273 HydrophobicContact CG-CB 4.47Å; Q116-R273 HydrophobicContact CG-CG 3.6Å
117R98.4Very high98Very high65 Ų6546.9 Ų46.925%0.24522%0.221CC..Hα-helixtrans-69.8-44.6-177.8-173.4-173.5-62.7-155.8-5.9111E106 F113 D114 T120 Y121E106-R117 IonicContact OE1-CZ 3.22Å; E106-R117 IonicContact OE1-NH1 2.68Å; E106-R117 PolarHBondContact OE1-NH1 3.36Å; E106-R117 IonicContact OE1-NH2 3.15Å; F113-R117 HydrophobicContact CB-CB 4.28Å; F113-R117 HydrophobicContact CB-CG 4.39Å; F113-R117 VanDerWaalsContact CD1-CD 3.49Å; F113-R117 HydrophobicContact CG-CG 4.32Å; D114-R117 PolarHBondContact O-N 2.8Å; D114-R117 WeakPolarHBondContact OD1-CB 3.27Å; D114-R117 PolarHBondContact OD1-N 2.84Å; R117-T120 PolarHBondContact O-N 2.98Å; R117-Y121 HydrophobicContact CG-CD2 4.15Å; R117-Y121 HydrophobicContact CG-CE2 3.62Å; R117-Y121 PolarHBondContact O-N 3.47Å
118T98.8Very high98Very high0 Ų046.9 Ų46.90%022%0.221CC..Hα-helixtrans-60.2-48.8177.4-52.10000111.2D114 T120 Y121 M122 C207 L208 W267D114-T118 WeakPolarHBondContact O-CB 3.47Å; D114-T118 PolarHBondContact O-N 2.73Å; D114-T118 PolarHBondContact O-OG1 3.39Å; T118-T120 VanDerWaalsContact C-N 3.28Å; T118-T120 PolarHBondContact O-N 3.3Å; T118-Y121 PolarHBondContact O-N 3.25Å; T118-M122 HydrophobicContact CG2-CG 4.29Å; T118-M122 VanDerWaalsContact O-CG 3.31Å; T118-M122 WeakPolarHBondContact O-CG 3.26Å; T118-M122 PolarHBondContact O-N 3.25Å; T118-C207 HydrophobicContact CG2-CB 3.6Å; T118-L208 HydrophobicContact CG2-CD1 4.34Å; T118-L208 HydrophobicContact CG2-CD2 4.16Å; T118-L208 HydrophobicContact CG2-CG 3.93Å; T118-L208 VanDerWaalsContact OG1-CD2 3.3Å; T118-L208 WeakPolarHBondContact OG1-CD2 3.32Å; T118-W267 HydrophobicContact CG2-CH2 3.86Å
119A98.8Very high98.3Very high0 Ų042 Ų420%020%0.198CC..Hα-helixtrans-60.6-38.3178.400000112.5D115 M122 E123 W267 N271D115-A119 WeakPolarHBondContact O-CB 3.37Å; D115-A119 PolarHBondContact O-N 2.71Å; A119-M122 PolarHBondContact O-N 3.35Å; A119-E123 PolarHBondContact O-N 3.28Å; A119-W267 HydrophobicContact CB-CE3 4.22Å; A119-W267 HydrophobicContact CB-CH2 4Å; A119-W267 HydrophobicContact CB-CZ2 4.47Å; A119-W267 HydrophobicContact CB-CZ3 3.84Å; A119-N271 HydrophobicContact CB-CB 3.51Å
120T98.8Very high98.3Very high20 Ų2035.9 Ų35.912%0.12317%0.173CC..Hα-helixtrans-61.6-46.7175.3-56.50000111.3Q116 R117 T118 M122 E123 E124 S272 R273 R274Q116-T120 WeakPolarHBondContact O-CB 3.37Å; Q116-T120 PolarHBondContact O-N 3.5Å; Q116-T120 PolarHBondContact O-OG1 3.49Å; R117-T120 PolarHBondContact O-N 2.98Å; T118-T120 VanDerWaalsContact C-N 3.28Å; T118-T120 PolarHBondContact O-N 3.3Å; T120-M122 VanDerWaalsContact C-N 3.34Å; T120-M122 PolarHBondContact O-N 2.88Å; T120-E123 PolarHBondContact O-N 3.18Å; T120-E124 WeakPolarHBondContact O-CG 3.43Å; T120-E124 PolarHBondContact O-N 3.02Å; T120-S272 WeakPolarHBondContact CA-OG 3.34Å; T120-R273 PolarHBondContact OG1-N 3.44Å; T120-R274 HydrophobicContact CG2-CB 4.22Å
121Y98.8Very high98.4Very high12 Ų1231.8 Ų31.85%0.04716%0.156CC..Hα-helixtrans-64.7-37.1175.6-66.8-24.9000112.9M103 F113 R117 T118 E123 E124 I125 L149 G153 L155M103-Y121 HydrophobicContact CE-CD2 3.57Å; M103-Y121 HydrophobicContact CE-CE2 3.91Å; M103-Y121 HydrophobicContact CE-CG 4.42Å; M103-Y121 HydrophobicContact SD-CD2 4.35Å; M103-Y121 HydrophobicContact SD-CE2 4.44Å; F113-Y121 HydrophobicContact CD2-CD2 4.26Å; F113-Y121 AromaticContact CD2-CE2 3.95Å; F113-Y121 HydrophobicContact CD2-CE2 3.95Å; F113-Y121 HydrophobicContact CE2-CD2 4.33Å; F113-Y121 AromaticContact CE2-CE2 3.75Å; F113-Y121 HydrophobicContact CE2-CE2 3.75Å; F113-Y121 HydrophobicContact CZ-CE2 4.43Å; R117-Y121 HydrophobicContact CG-CD2 4.15Å; R117-Y121 HydrophobicContact CG-CE2 3.62Å; R117-Y121 PolarHBondContact O-N 3.47Å; T118-Y121 PolarHBondContact O-N 3.25Å; Y121-E123 VanDerWaalsContact C-N 3.34Å; Y121-E123 PolarHBondContact O-N 2.82Å; Y121-E124 PolarHBondContact O-N 2.77Å; Y121-I125 WeakPolarHBondContact O-CB 3.32Å; Y121-I125 WeakPolarHBondContact O-CG2 3.18Å; Y121-I125 PolarHBondContact O-N 3.38Å; Y121-L149 HydrophobicContact CE1-CD2 3.8Å; Y121-L149 WeakPolarHBondContact OH-CD2 3.11Å; Y121-G153 WeakPolarHBondContact CE1-O 3.33Å; Y121-L155 HydrophobicContact CD1-CB 3.96Å; Y121-L155 HydrophobicContact CD1-CD1 4.09Å; Y121-L155 HydrophobicContact CE1-CB 4.41Å; Y121-L155 HydrophobicContact CG-CD1 4.02Å
122M98.9Very high98.4Very high2 Ų229.9 Ų29.91%0.0114%0.137CC..Hα-helixtrans-63.9-38.6176.1-70.4-52.2-61.100112.3T118 A119 T120 I125 S126 I200 C204 L248 V262 V268T118-M122 HydrophobicContact CG2-CG 4.29Å; T118-M122 VanDerWaalsContact O-CG 3.31Å; T118-M122 WeakPolarHBondContact O-CG 3.26Å; T118-M122 PolarHBondContact O-N 3.25Å; A119-M122 PolarHBondContact O-N 3.35Å; T120-M122 VanDerWaalsContact C-N 3.34Å; T120-M122 PolarHBondContact O-N 2.88Å; M122-I125 HydrophobicContact SD-CG2 4.49Å; M122-S126 WeakPolarHBondContact O-CB 3.42Å; M122-S126 PolarHBondContact O-N 3.04Å; M122-S126 VanDerWaalsContact O-N 3.16Å; M122-S126 PolarHBondContact O-OG 3.32Å; M122-I200 HydrophobicContact CE-CB 3.88Å; M122-I200 HydrophobicContact CE-CD1 4.06Å; M122-I200 HydrophobicContact CE-CG1 4.11Å; M122-I200 WeakPolarHBondContact CE-O 2.87Å; M122-C204 HydrophobicContact CE-CB 4.03Å; M122-C204 HydrophobicContact CG-CB 4.23Å; M122-C204 HydrophobicContact SD-CB 3.58Å; M122-C204 VanDerWaalsContact SD-CB 3.58Å; M122-L248 HydrophobicContact CE-CD1 4.01Å; M122-V262 HydrophobicContact CE-CG1 4.09Å; M122-V268 HydrophobicContact CB-CG2 4.38Å
123E98.8Very high98.3Very high45 Ų4525.1 Ų25.121%0.2112%0.12CC..Hα-helixtrans-64.6-50.8172.8-169-172.515300111.2A119 T120 Y121 I125 S126 D127 I263 V268 S272 R274A119-E123 PolarHBondContact O-N 3.28Å; T120-E123 PolarHBondContact O-N 3.18Å; Y121-E123 VanDerWaalsContact C-N 3.34Å; Y121-E123 PolarHBondContact O-N 2.82Å; E123-I125 PolarHBondContact O-N 2.77Å; E123-S126 PolarHBondContact O-N 2.88Å; E123-D127 PolarHBondContact O-N 3.41Å; E123-I263 HydrophobicContact CG-CG1 4.47Å; E123-I263 HydrophobicContact CG-CG2 4.22Å; E123-V268 HydrophobicContact CB-CG1 3.97Å; E123-S272 WeakPolarHBondContact OE2-CB 3.38Å; E123-S272 PolarHBondContact OE2-OG 2.95Å; E123-R274 VanDerWaalsContact CD-CD 3.41Å; E123-R274 WeakPolarHBondContact OE1-CD 3.45Å; E123-R274 IonicContact OE1-NH1 2.65Å; E123-R274 WeakPolarHBondContact OE2-CB 3.45Å
124E98.8Very high98.2Very high4 Ų431.5 Ų31.52%0.01915%0.15CC..Hα-helixtrans-61.2-44.8-177.2-74.5-177.1142.700113.6N77 T120 Y121 A128 E154 L155 R274N77-E124 HydrophobicContact CB-CB 4.34Å; N77-E124 VanDerWaalsContact ND2-CD 3.29Å; N77-E124 WeakPolarHBondContact ND2-CG 3.31Å; N77-E124 PolarHBondContact ND2-OE1 2.89Å; T120-E124 WeakPolarHBondContact O-CG 3.43Å; T120-E124 PolarHBondContact O-N 3.02Å; Y121-E124 PolarHBondContact O-N 2.77Å; E124-A128 WeakPolarHBondContact O-CB 3.38Å; E124-A128 PolarHBondContact O-N 3.16Å; E124-A128 VanDerWaalsContact O-N 3.11Å; E124-E154 WeakPolarHBondContact OE1-CA 3.34Å; E124-E154 VanDerWaalsContact OE1-CB 3.31Å; E124-E154 WeakPolarHBondContact OE1-CB 3.22Å; E124-L155 HydrophobicContact CB-CB 4.14Å; E124-L155 WeakPolarHBondContact OE2-CB 3.44Å; E124-L155 PolarHBondContact OE2-N 3.16Å; E124-R274 HydrophobicContact CG-CG 3.77Å
125I98.6Very high98Very high0 Ų031.3 Ų31.30%015%0.145CC..Hα-helixtrans-72.9-35.4-179.3-159.2166.7000111.5Y121 M122 E123 A128 L129 I142 L147 L155 I157 I200 L203Y121-I125 WeakPolarHBondContact O-CB 3.32Å; Y121-I125 WeakPolarHBondContact O-CG2 3.18Å; Y121-I125 PolarHBondContact O-N 3.38Å; M122-I125 HydrophobicContact SD-CG2 4.49Å; E123-I125 PolarHBondContact O-N 2.77Å; I125-A128 PolarHBondContact O-N 2.88Å; I125-L129 HydrophobicContact CG1-CD1 4.19Å; I125-L129 HydrophobicContact CG1-CG 4.47Å; I125-L129 WeakPolarHBondContact O-CB 3.49Å; I125-L129 VanDerWaalsContact O-CG 3.27Å; I125-L129 WeakPolarHBondContact O-CG 3.17Å; I125-L129 PolarHBondContact O-N 3.2Å; I125-I142 HydrophobicContact CD1-CD1 4.26Å; I125-I142 HydrophobicContact CD1-CG2 3.53Å; I125-L147 HydrophobicContact CD1-CD1 3.95Å; I125-L147 HydrophobicContact CD1-CD2 4.04Å; I125-L155 HydrophobicContact CB-CD1 4.26Å; I125-L155 HydrophobicContact CB-CD2 4.06Å; I125-L155 HydrophobicContact CD1-CD1 4.42Å; I125-L155 HydrophobicContact CD1-CD2 4.41Å; I125-L155 HydrophobicContact CG1-CD2 4.15Å; I125-I157 HydrophobicContact CG1-CD1 4.19Å; I125-I157 HydrophobicContact CG1-CG1 4.48Å; I125-I200 HydrophobicContact CD1-CG2 4.03Å; I125-I200 HydrophobicContact CG1-CG2 4.22Å; I125-I200 HydrophobicContact CG2-CB 4.46Å; I125-I200 HydrophobicContact CG2-CG2 3.92Å; I125-L203 HydrophobicContact CD1-CD2 3.55Å
126S98.8Very high97.6Very high0 Ų034.9 Ų34.90%016%0.158CC..Hα-helixtrans-66.2-42.7177.6-61.30000111M122 E123 L129 M130 V262M122-S126 WeakPolarHBondContact O-CB 3.42Å; M122-S126 PolarHBondContact O-N 3.04Å; M122-S126 VanDerWaalsContact O-N 3.16Å; M122-S126 PolarHBondContact O-OG 3.32Å; E123-S126 PolarHBondContact O-N 2.88Å; S126-L129 PolarHBondContact O-N 3.49Å; S126-M130 WeakPolarHBondContact O-CG 3.2Å; S126-M130 PolarHBondContact O-N 2.92Å; S126-V262 VanDerWaalsContact OG-CG1 3.24Å; S126-V262 WeakPolarHBondContact OG-CG1 3.41Å
127D98.7Very high97.3Very high44 Ų4430.6 Ų30.624%0.23514%0.139CC..Hα-helixtrans-63.3-44.9175.7-169.921.3000111.8H75 E123 L129 M130 Y131 I263 R274H75-D127 IonicContact CE1-OD2 2.7Å; H75-D127 IonicContact NE2-OD1 3.81Å; H75-D127 IonicContact NE2-OD2 3.32Å; H75-D127 PolarHBondContact NE2-OD2 3.49Å; E123-D127 PolarHBondContact O-N 3.41Å; D127-L129 VanDerWaalsContact C-N 3.34Å; D127-L129 PolarHBondContact O-N 2.94Å; D127-M130 PolarHBondContact O-N 3.31Å; D127-Y131 PolarHBondContact O-N 2.99Å; D127-Y131 VanDerWaalsContact O-N 3.08Å; D127-I263 HydrophobicContact CB-CD1 4.17Å; D127-R274 IonicContact OD2-CZ 2.72Å; D127-R274 IonicContact OD2-NH1 3.02Å; D127-R274 PolarHBondContact OD2-NH1 3.17Å; D127-R274 IonicContact OD2-NH2 3.26Å; D127-R274 PolarHBondContact OD2-NH2 3.44Å
128A98.4Very high97Very high0 Ų028.1 Ų28.10%013%0.13CC..Hα-helixtrans-60.7-41.5175.500000113.1H75 N77 I78 E124 I125 Y131 C132 I157H75-A128 VanDerWaalsContact CE1-CA 3.5Å; H75-A128 WeakPolarHBondContact CE1-CA 3.36Å; H75-A128 PolarHBondContact CE1-N 2.65Å; N77-A128 HydrophobicContact CB-CB 4.02Å; I78-A128 HydrophobicContact CD1-CB 4.47Å; I78-A128 HydrophobicContact CG1-CB 3.98Å; E124-A128 WeakPolarHBondContact O-CB 3.38Å; E124-A128 PolarHBondContact O-N 3.16Å; E124-A128 VanDerWaalsContact O-N 3.11Å; I125-A128 PolarHBondContact O-N 2.88Å; A128-Y131 PolarHBondContact O-N 3.2Å; A128-C132 PolarHBondContact O-N 2.91Å; A128-C132 PolarHBondContact O-SG 3.05Å; A128-C132 VanDerWaalsContact O-SG 3.38Å; A128-I157 HydrophobicContact CB-CD1 3.61Å; A128-I157 HydrophobicContact CB-CG1 4.4Å
129L98.3Very high96.7Very high0 Ų028.1 Ų28.10%013%0.13CC..Hα-helixtrans-71.1-35.4178.4-73.5171.8000112I125 S126 D127 Y131 C132 H133 H139 I142 I157 D196 I200 L259I125-L129 HydrophobicContact CG1-CD1 4.19Å; I125-L129 HydrophobicContact CG1-CG 4.47Å; I125-L129 WeakPolarHBondContact O-CB 3.49Å; I125-L129 VanDerWaalsContact O-CG 3.27Å; I125-L129 WeakPolarHBondContact O-CG 3.17Å; I125-L129 PolarHBondContact O-N 3.2Å; S126-L129 PolarHBondContact O-N 3.49Å; D127-L129 VanDerWaalsContact C-N 3.34Å; D127-L129 PolarHBondContact O-N 2.94Å; L129-Y131 VanDerWaalsContact C-N 3.35Å; L129-C132 WeakPolarHBondContact O-CB 3.32Å; L129-C132 PolarHBondContact O-N 3.23Å; L129-H133 WeakPolarHBondContact O-CB 3.41Å; L129-H133 PolarHBondContact O-CD2 2.85Å; L129-H133 PolarHBondContact O-N 2.93Å; L129-H139 HydrophobicContact CD2-CB 3.99Å; L129-I142 HydrophobicContact CD1-CG1 4.47Å; L129-I142 HydrophobicContact CD2-CD1 4.18Å; L129-I142 HydrophobicContact CD2-CG1 4.33Å; L129-I157 HydrophobicContact CD2-CD1 4.36Å; L129-I157 HydrophobicContact CG-CD1 4.41Å; L129-D196 HydrophobicContact CD1-CB 4.05Å; L129-D196 HydrophobicContact CD2-CB 4.08Å; L129-I200 HydrophobicContact CD1-CG2 3.52Å; L129-L259 HydrophobicContact CB-CD1 3.65Å; L129-L259 HydrophobicContact CB-CD2 4.24Å; L129-L259 HydrophobicContact CD1-CD2 4.35Å
130M98.1Very high96.2Very high38 Ų3828.8 Ų28.819%0.18713%0.133CC..Hα-helixtrans-58.1-49.9172.2-78.2177.548.600110.6S126 D127 C132 H133 E134 L259 Q260 I263S126-M130 WeakPolarHBondContact O-CG 3.2Å; S126-M130 PolarHBondContact O-N 2.92Å; D127-M130 PolarHBondContact O-N 3.31Å; M130-C132 VanDerWaalsContact C-N 3.29Å; M130-C132 PolarHBondContact O-N 3.18Å; M130-H133 PolarHBondContact O-N 3.35Å; M130-H133 VanDerWaalsContact O-N 3.12Å; M130-E134 WeakPolarHBondContact O-CG 3.37Å; M130-E134 PolarHBondContact O-N 3.19Å; M130-L259 HydrophobicContact CB-CD1 4.42Å; M130-L259 HydrophobicContact CG-CB 3.36Å; M130-L259 HydrophobicContact CG-CD1 3.72Å; M130-L259 HydrophobicContact CG-CG 4.19Å; M130-L259 HydrophobicContact SD-CB 3.91Å; M130-Q260 HydrophobicContact CE-CB 4.38Å; M130-Q260 VanDerWaalsContact CE-OE1 3.32Å; M130-Q260 HydrophobicContact SD-CB 4.11Å; M130-I263 HydrophobicContact SD-CD1 3.74Å
131Y97.9Very high95.7Very high37 Ų3728.1 Ų28.115%0.14513%0.128CC..Hα-helixtrans-56.9-41.4175.2172.7-92.8000112.5H72 L73 K74 H75 I78 D127 A128 L129 K135H72-Y131 PolarHBondContact O-OH 3.14Å; L73-Y131 HydrophobicContact CB-CE1 4.08Å; L73-Y131 HydrophobicContact CD2-CD1 4.33Å; L73-Y131 HydrophobicContact CD2-CE1 3.63Å; L73-Y131 HydrophobicContact CG-CE1 4.42Å; K74-Y131 PolarHBondContact N-OH 3.07Å; H75-Y131 HydrophobicContact CB-CD1 3.86Å; H75-Y131 HydrophobicContact CB-CE1 4.16Å; H75-Y131 HydrophobicContact CB-CG 4.14Å; H75-Y131 AromaticContact CD2-CG 4Å; I78-Y131 HydrophobicContact CD1-CD1 3.73Å; I78-Y131 HydrophobicContact CD1-CE1 4.15Å; D127-Y131 PolarHBondContact O-N 2.99Å; D127-Y131 VanDerWaalsContact O-N 3.08Å; A128-Y131 PolarHBondContact O-N 3.2Å; L129-Y131 VanDerWaalsContact C-N 3.35Å; Y131-K135 HydrophobicContact CE1-CD 3.96Å; Y131-K135 HydrophobicContact CE2-CD 4.24Å; Y131-K135 PolarHBondContact O-N 2.86Å; Y131-K135 WeakPolarHBondContact OH-CE 3.24Å; Y131-K135 PolarHBondContact OH-NZ 3.39Å; Y131-K135 VanDerWaalsContact OH-NZ 3.1Å
132C96.4Very high95.5Very high0 Ų027.5 Ų27.50%013%0.126CC..Hα-helixtrans-62.9-46.8174.2-74.80000112.1I78 A128 L129 M130 E134 K135 K136 V137I78-C132 VanDerWaalsContact CD1-SG 3.55Å; A128-C132 PolarHBondContact O-N 2.91Å; A128-C132 PolarHBondContact O-SG 3.05Å; A128-C132 VanDerWaalsContact O-SG 3.38Å; L129-C132 WeakPolarHBondContact O-CB 3.32Å; L129-C132 PolarHBondContact O-N 3.23Å; M130-C132 VanDerWaalsContact C-N 3.29Å; M130-C132 PolarHBondContact O-N 3.18Å; C132-E134 PolarHBondContact O-N 2.83Å; C132-K135 CarbonylContact O-C 3.58Å; C132-K135 VanDerWaalsContact O-C 3.3Å; C132-K135 WeakPolarHBondContact O-CA 3.12Å; C132-K135 WeakPolarHBondContact O-CB 3.39Å; C132-K135 PolarHBondContact O-N 2.94Å; C132-K136 PolarHBondContact O-N 3.39Å; C132-K136 VanDerWaalsContact O-N 3.17Å; C132-V137 CarbonylContact C-O 3.48Å; C132-V137 HydrophobicContact CB-CB 4.16Å; C132-V137 HydrophobicContact CB-CG1 4.42Å; C132-V137 WeakPolarHBondContact O-CB 3.33Å; C132-V137 PolarHBondContact O-N 3.07Å
133H95.8Very high95.2Very high31 Ų3128.5 Ų28.514%0.14413%0.13CC..Hα-helixtrans-67.4-36.2-176.2-70.2-169000112L129 M130 K135 K136 V137 E193 D196L129-H133 WeakPolarHBondContact O-CB 3.41Å; L129-H133 PolarHBondContact O-CD2 2.85Å; L129-H133 PolarHBondContact O-N 2.93Å; M130-H133 PolarHBondContact O-N 3.35Å; M130-H133 VanDerWaalsContact O-N 3.12Å; H133-K135 PolarHBondContact O-N 3.35Å; H133-K136 WeakPolarHBondContact O-CA 3.27Å; H133-K136 PolarHBondContact O-N 2.89Å; H133-V137 PolarHBondContact CD2-O 2.92Å; H133-E193 PolarHBondContact CE1-O 2.97Å; H133-D196 IonicContact CD2-OD2 2.8Å; H133-D196 IonicContact CE1-OD2 3.71Å; H133-D196 IonicContact NE2-OD2 3.79Å; H133-D196 PolarHBondContact NE2-OD2 3.1Å
134E95.8Very high95Very high140 Ų14026.4 Ų26.465%0.65412%0.12SC*.Hα-helixtrans-57.7-38.9169.6-74.9177.6178.900111.6M130 C132 K136M130-E134 WeakPolarHBondContact O-CG 3.37Å; M130-E134 PolarHBondContact O-N 3.19Å; C132-E134 PolarHBondContact O-N 2.83Å; E134-K136 PolarHBondContact O-N 3.18Å
135K93.4Very high94.6Very high86 Ų8629.8 Ų29.837%0.37414%0.136SC..THydrogen-bonded Turntrans-83.111.3174.5-67.4-167.3169.5-138.10114.3H72 L73 Y131 C132 H133 V137 H165H72-K135 PolarHBondContact O-NZ 2.83Å; L73-K135 HydrophobicContact CD2-CD 3.95Å; Y131-K135 HydrophobicContact CE1-CD 3.96Å; Y131-K135 HydrophobicContact CE2-CD 4.24Å; Y131-K135 PolarHBondContact O-N 2.86Å; Y131-K135 WeakPolarHBondContact OH-CE 3.24Å; Y131-K135 PolarHBondContact OH-NZ 3.39Å; Y131-K135 VanDerWaalsContact OH-NZ 3.1Å; C132-K135 CarbonylContact O-C 3.58Å; C132-K135 VanDerWaalsContact O-C 3.3Å; C132-K135 WeakPolarHBondContact O-CA 3.12Å; C132-K135 WeakPolarHBondContact O-CB 3.39Å; C132-K135 PolarHBondContact O-N 2.94Å; H133-K135 PolarHBondContact O-N 3.35Å; K135-V137 HydrophobicContact CB-CG2 4.34Å; K135-V137 PolarHBondContact O-N 3.45Å; K135-H165 PolarHBondContact O-CE1 3.19Å; K135-H165 PolarHBondContact O-ND1 3.29Å
136K91.8Very high94.3Very high114 Ų11430.5 Ų30.550%0.49614%0.14SC..THydrogen-bonded Turntrans57.328.7-178.8-50.8-57.5179.9-171.70113.3C132 H133 E134 H165 A166C132-K136 PolarHBondContact O-N 3.39Å; C132-K136 VanDerWaalsContact O-N 3.17Å; H133-K136 WeakPolarHBondContact O-CA 3.27Å; H133-K136 PolarHBondContact O-N 2.89Å; E134-K136 PolarHBondContact O-N 3.18Å; K136-H165 CarbonylContact O-C 3.56Å; K136-H165 WeakPolarHBondContact O-CA 3.49Å; K136-A166 PolarHBondContact O-N 3.32Å
137V92Very high94.2Very high5 Ų530.5 Ų30.53%0.0314%0.14CC..EExtended strand (participates in β ladder)trans-99.3125.3174.1177.50000108.8I69 L73 C132 H133 K135 F160 V164I69-V137 HydrophobicContact CG2-CG1 3.77Å; I69-V137 HydrophobicContact CG2-CG2 3.96Å; L73-V137 HydrophobicContact CD2-CG2 4.49Å; C132-V137 CarbonylContact C-O 3.48Å; C132-V137 HydrophobicContact CB-CB 4.16Å; C132-V137 HydrophobicContact CB-CG1 4.42Å; C132-V137 WeakPolarHBondContact O-CB 3.33Å; C132-V137 PolarHBondContact O-N 3.07Å; H133-V137 PolarHBondContact CD2-O 2.92Å; K135-V137 HydrophobicContact CB-CG2 4.34Å; K135-V137 PolarHBondContact O-N 3.45Å; V137-F160 HydrophobicContact CG1-CD1 4.43Å; V137-F160 HydrophobicContact CG1-CE1 4.46Å; V137-V164 WeakPolarHBondContact CA-O 3.36Å
138I92.2Very high94.1Very high12 Ų1230.1 Ų30.16%0.06214%0.138CC..EExtended strand (participates in β ladder)trans-106.3130.2171.3-49.5170.9000107.8R140 S163 V164 A166 E193 V195 D196I138-R140 HydrophobicContact CB-CG 4.1Å; I138-R140 HydrophobicContact CG2-CG 3.49Å; I138-R140 VanDerWaalsContact CG2-CG 3.49Å; I138-S163 WeakPolarHBondContact O-CA 3.37Å; I138-S163 WeakPolarHBondContact O-CB 3.31Å; I138-V164 HydrophobicContact CB-CG2 4.37Å; I138-V164 PolarHBondContact N-O 3.19Å; I138-V164 VanDerWaalsContact N-O 3.09Å; I138-V164 PolarHBondContact O-N 3.46Å; I138-A166 HydrophobicContact CD1-CB 3.77Å; I138-A166 HydrophobicContact CG1-CB 4.37Å; I138-E193 HydrophobicContact CD1-CB 4.25Å; I138-E193 HydrophobicContact CG1-CB 3.94Å; I138-V195 HydrophobicContact CG2-CG2 3.8Å; I138-D196 WeakPolarHBondContact CG2-OD2 3.33Å
139H92.3Very high94.1Very high0 Ų030.1 Ų30.10%014%0.138CC..  trans-75.7-53.4-174.4-169.9-84.4000112.4L129 D141 I142 I157 D159 F160 W162 S163 D196L129-H139 HydrophobicContact CD2-CB 3.99Å; H139-D141 VanDerWaalsContact C-N 3.26Å; H139-D141 PolarHBondContact CE1-O 3.09Å; H139-D141 VanDerWaalsContact CE1-O 3.3Å; H139-D141 VanDerWaalsContact ND1-C 3.35Å; H139-D141 PolarHBondContact ND1-N 3.34Å; H139-D141 PolarHBondContact O-N 3.35Å; H139-I142 HydrophobicContact CB-CD1 4Å; H139-I142 HydrophobicContact CB-CG1 4.08Å; H139-I142 VanDerWaalsContact CG-CD1 3.45Å; H139-I142 VanDerWaalsContact ND1-CD1 3.29Å; H139-I142 WeakPolarHBondContact ND1-CD1 3.2Å; H139-I142 PolarHBondContact ND1-N 3.18Å; H139-I157 WeakPolarHBondContact CD2-CG2 3.49Å; H139-I157 WeakPolarHBondContact NE2-CG2 3.15Å; H139-D159 PolarHBondContact CE1-O 3.37Å; H139-D159 PolarHBondContact NE2-O 2.91Å; H139-F160 AromaticContact CD2-CE1 3.86Å; H139-W162 CarbonylContact O-C 3.3Å; H139-S163 PolarHBondContact O-N 2.92Å; H139-S163 PolarHBondContact O-OG 2.98Å; H139-D196 PolarHBondContact N-OD1 3.13Å; H139-D196 PolarHBondContact N-OD2 3.08Å
140R88.5Confident94Very high15 Ų1530.2 Ų30.26%0.05714%0.139CC..  trans69.6-1.3175.3-49.5-169.5-64161.16.4117.9I138 W162 V164 H191 V195 D196I138-R140 HydrophobicContact CB-CG 4.1Å; I138-R140 HydrophobicContact CG2-CG 3.49Å; I138-R140 VanDerWaalsContact CG2-CG 3.49Å; R140-W162 PolarHBondContact NE-O 3.14Å; R140-W162 PolarHBondContact NH2-O 3.43Å; R140-V164 VanDerWaalsContact NH2-CG1 3.26Å; R140-H191 PolarHBondContact NH1-NE2 3.14Å; R140-V195 HydrophobicContact CG-CG2 4.04Å; R140-D196 PolarHBondContact N-OD1 3.36Å
141D87.9Confident93.8Very high5 Ų535.6 Ų35.63%0.02716%0.162CC..  trans-143.447.9177.7-163.328.6000111.2H139 K143 N146 W162 G176H139-D141 VanDerWaalsContact C-N 3.26Å; H139-D141 PolarHBondContact CE1-O 3.09Å; H139-D141 VanDerWaalsContact CE1-O 3.3Å; H139-D141 VanDerWaalsContact ND1-C 3.35Å; H139-D141 PolarHBondContact ND1-N 3.34Å; H139-D141 PolarHBondContact O-N 3.35Å; D141-K143 VanDerWaalsContact CG-NZ 3.26Å; D141-K143 PolarHBondContact O-N 3.2Å; D141-K143 IonicContact OD1-NZ 3.49Å; D141-K143 PolarHBondContact OD1-NZ 3.21Å; D141-K143 IonicContact OD2-NZ 3.3Å; D141-K143 PolarHBondContact OD2-NZ 2.9Å; D141-N146 PolarHBondContact O-ND2 3.34Å; D141-N146 PolarHBondContact OD2-ND2 3.42Å; D141-W162 HydrophobicContact CB-CB 4.07Å; D141-W162 HydrophobicContact CB-CG 4.21Å; D141-W162 VanDerWaalsContact OD2-CD1 3.27Å; D141-G176 WeakPolarHBondContact OD1-CA 3.41Å
142I95Very high93.6Very high0 Ų041 Ų410%018%0.182CC..  trans-75.1120.8174-65.3-63.4000108.6I125 L129 H139 I157 Y180 C199 I200 L203I125-I142 HydrophobicContact CD1-CD1 4.26Å; I125-I142 HydrophobicContact CD1-CG2 3.53Å; L129-I142 HydrophobicContact CD1-CG1 4.47Å; L129-I142 HydrophobicContact CD2-CD1 4.18Å; L129-I142 HydrophobicContact CD2-CG1 4.33Å; H139-I142 HydrophobicContact CB-CD1 4Å; H139-I142 HydrophobicContact CB-CG1 4.08Å; H139-I142 VanDerWaalsContact CG-CD1 3.45Å; H139-I142 VanDerWaalsContact ND1-CD1 3.29Å; H139-I142 WeakPolarHBondContact ND1-CD1 3.2Å; H139-I142 PolarHBondContact ND1-N 3.18Å; I142-I157 HydrophobicContact CD1-CD1 4.19Å; I142-I157 HydrophobicContact CD1-CG2 4.32Å; I142-Y180 WeakPolarHBondContact O-CD1 3.46Å; I142-Y180 VanDerWaalsContact O-CE1 3.32Å; I142-Y180 WeakPolarHBondContact O-CE1 3.47Å; I142-C199 HydrophobicContact CB-CB 3.77Å; I142-C199 HydrophobicContact CG2-CB 4.3Å; I142-I200 HydrophobicContact CG2-CG2 4.14Å; I142-L203 HydrophobicContact CG2-CD2 4.12Å
143K92Very high93.6Very high23 Ų2341.6 Ų41.610%0.119%0.188CC..SBendtrans-166.6160.5177.961-176-178.4-138.50110.3D141 E145 N146 L147 T177 Y180D141-K143 VanDerWaalsContact CG-NZ 3.26Å; D141-K143 PolarHBondContact O-N 3.2Å; D141-K143 IonicContact OD1-NZ 3.49Å; D141-K143 PolarHBondContact OD1-NZ 3.21Å; D141-K143 IonicContact OD2-NZ 3.3Å; D141-K143 PolarHBondContact OD2-NZ 2.9Å; K143-E145 WeakPolarHBondContact CB-OE2 3.36Å; K143-E145 WeakPolarHBondContact CD-OE2 3.43Å; K143-E145 VanDerWaalsContact CG-OE2 3.23Å; K143-E145 WeakPolarHBondContact CG-OE2 3.47Å; K143-E145 PolarHBondContact O-N 3.5Å; K143-E145 VanDerWaalsContact O-N 3.09Å; K143-N146 WeakPolarHBondContact CE-ND2 3.44Å; K143-N146 HydrophobicContact CG-CB 4.2Å; K143-N146 PolarHBondContact O-N 2.96Å; K143-L147 WeakPolarHBondContact O-CG 3.49Å; K143-T177 WeakPolarHBondContact CD-OG1 3.34Å; K143-T177 WeakPolarHBondContact CE-OG1 3.29Å; K143-T177 PolarHBondContact NZ-OG1 3.33Å; K143-Y180 HydrophobicContact CB-CD1 4.29Å; K143-Y180 HydrophobicContact CB-CD2 4.18Å; K143-Y180 HydrophobicContact CB-CE1 4.15Å; K143-Y180 HydrophobicContact CB-CE2 4.06Å; K143-Y180 HydrophobicContact CB-CG 4.3Å
144P94.2Very high93.6Very high0 Ų041.1 Ų41.10%019%0.186CC..G310 helixtrans-55.9-29.1-174.7-27.535.5000115.2Y104 L107 N146 L147 Y180 L203Y104-P144 HydrophobicContact CD2-CB 4.07Å; Y104-P144 HydrophobicContact CG-CB 4.46Å; Y104-P144 PolarHBondContact N-O 3.24Å; Y104-P144 VanDerWaalsContact N-O 3.14Å; L107-P144 HydrophobicContact CD2-CG 4.37Å; P144-N146 VanDerWaalsContact C-N 3.33Å; P144-L147 PolarHBondContact O-N 3.17Å; P144-Y180 VanDerWaalsContact CD-OH 3.26Å; P144-Y180 WeakPolarHBondContact CD-OH 3.27Å; P144-L203 HydrophobicContact CG-CD1 3.75Å
145E90.1Very high93.7Very high75 Ų7534.5 Ų34.535%0.3515%0.154SC..G310 helixtrans-72.4-27.3-179.9-56.893.3142.400112.8Y104 K143 L147Y104-E145 HydrophobicContact CD1-CG 4.38Å; Y104-E145 HydrophobicContact CD2-CG 4.13Å; Y104-E145 HydrophobicContact CG-CG 3.92Å; K143-E145 WeakPolarHBondContact CB-OE2 3.36Å; K143-E145 WeakPolarHBondContact CD-OE2 3.43Å; K143-E145 VanDerWaalsContact CG-OE2 3.23Å; K143-E145 WeakPolarHBondContact CG-OE2 3.47Å; K143-E145 PolarHBondContact O-N 3.5Å; K143-E145 VanDerWaalsContact O-N 3.09Å; E145-L147 VanDerWaalsContact C-N 3.33Å
146N92.6Very high93.9Very high16 Ų1630.8 Ų30.89%0.08614%0.138CC..G310 helixtrans-944.9179.2-70.5-10.7000112.7D141 K143 P144 A158 D159D141-N146 PolarHBondContact O-ND2 3.34Å; D141-N146 PolarHBondContact OD2-ND2 3.42Å; K143-N146 WeakPolarHBondContact CE-ND2 3.44Å; K143-N146 HydrophobicContact CG-CB 4.2Å; K143-N146 PolarHBondContact O-N 2.96Å; P144-N146 VanDerWaalsContact C-N 3.33Å; N146-A158 PolarHBondContact O-N 3.07Å; N146-D159 HydrophobicContact CB-CB 4.05Å
147L96.9Very high94.2Very high0 Ų025.3 Ų25.30%012%0.115CC..EExtended strand (participates in β ladder)trans-112.4127.3179.2-61.4174.5000109.1M103 I125 K143 P144 E145 L155 I157 L203M103-L147 HydrophobicContact CB-CB 3.93Å; M103-L147 WeakPolarHBondContact CB-O 3.29Å; M103-L147 PolarHBondContact N-O 3.41Å; M103-L147 HydrophobicContact SD-CB 3.91Å; M103-L147 HydrophobicContact SD-CD1 3.58Å; M103-L147 VanDerWaalsContact SD-CD1 3.58Å; M103-L147 HydrophobicContact SD-CG 4.41Å; I125-L147 HydrophobicContact CD1-CD1 3.95Å; I125-L147 HydrophobicContact CD1-CD2 4.04Å; K143-L147 WeakPolarHBondContact O-CG 3.49Å; P144-L147 PolarHBondContact O-N 3.17Å; E145-L147 VanDerWaalsContact C-N 3.33Å; L147-L155 HydrophobicContact CD1-CD1 4.06Å; L147-L155 HydrophobicContact CD2-CD2 3.91Å; L147-L155 HydrophobicContact CD2-CG 4.28Å; L147-I157 HydrophobicContact CD2-CB 4.39Å; L147-I157 HydrophobicContact CD2-CG1 3.89Å; L147-L203 HydrophobicContact CD1-CD1 4.11Å; L147-L203 HydrophobicContact CD1-CD2 3.66Å
148L97.6Very high94.1Very high35 Ų3526 Ų2618%0.18312%0.12CC..EExtended strand (participates in β ladder)trans-109.1165.8174.1-58.2179.9000110.5L79 A98 G101 E102 K156 A158L79-L148 HydrophobicContact CD1-CD1 4.1Å; L79-L148 HydrophobicContact CD2-CD1 3.91Å; A98-L148 HydrophobicContact CB-CB 3.57Å; A98-L148 HydrophobicContact CB-CD1 3.93Å; A98-L148 HydrophobicContact CB-CG 4.36Å; G101-L148 CarbonylContact O-C 3.54Å; G101-L148 WeakPolarHBondContact O-CA 3.45Å; E102-L148 HydrophobicContact CB-CD2 4.3Å; E102-L148 HydrophobicContact CG-CD2 3.75Å; L148-K156 HydrophobicContact CB-CB 4.24Å; L148-K156 PolarHBondContact N-O 3.49Å; L148-K156 PolarHBondContact O-N 2.84Å; L148-A158 HydrophobicContact CD1-CB 3.67Å; L148-A158 HydrophobicContact CG-CB 3.68Å
149L97.9Very high93.5Very high0 Ų027.7 Ų27.70%013%0.13CC..EExtended strand (participates in β ladder)trans-121.5125.5-178.1-61.5176.2000111A98 R100 G101 M103 E106 Y121A98-L149 CarbonylContact C-O 3.56Å; A98-L149 WeakPolarHBondContact CB-O 3.42Å; R100-L149 HydrophobicContact CB-CB 3.67Å; R100-L149 WeakPolarHBondContact CB-O 3.4Å; R100-L149 PolarHBondContact N-O 3.49Å; R100-L149 VanDerWaalsContact N-O 3.12Å; G101-L149 PolarHBondContact O-N 3.3Å; M103-L149 HydrophobicContact CB-CD1 4.3Å; M103-L149 HydrophobicContact CB-CD2 4.4Å; M103-L149 HydrophobicContact CB-CG 4.22Å; E106-L149 HydrophobicContact CB-CD1 4.15Å; E106-L149 WeakPolarHBondContact OE2-CD1 3.43Å; Y121-L149 HydrophobicContact CE1-CD2 3.8Å; Y121-L149 WeakPolarHBondContact OH-CD2 3.11Å
150G96.3Very high93Very high2 Ų227.8 Ų27.82%0.02113%0.13CC..  trans-73.7-167.6179.600000113.4R100 G153 E154R100-G150 VanDerWaalsContact CD-O 3.27Å; R100-G150 WeakPolarHBondContact CD-O 3.41Å; R100-G150 VanDerWaalsContact CG-O 3.3Å; R100-G150 WeakPolarHBondContact CG-O 3.36Å; G150-G153 PolarHBondContact O-N 2.98Å; G150-E154 WeakPolarHBondContact CA-OE1 3.48Å; G150-E154 PolarHBondContact N-O 3.19Å
151F94.1Very high92Very high152 Ų15227.5 Ų27.567%0.66713%0.132SC*.SBendtrans-66.9-42.3-171.9178.2-102.1000112.9P99 R100 G153 E154P99-F151 HydrophobicContact CG-CB 4Å; P99-F151 HydrophobicContact CG-CD2 4.3Å; R100-F151 PolarHBondContact NE-O 2.86Å; R100-F151 PolarHBondContact NH2-O 2.92Å; R100-F151 VanDerWaalsContact NH2-O 3.16Å; F151-G153 VanDerWaalsContact C-N 3.27Å; F151-E154 PolarHBondContact N-OE1 2.74Å; F151-E154 PolarHBondContact N-OE2 2.86Å
152R93.3Very high91Very high151 Ų15132 Ų3257%0.5715%0.148SC*.SBendtrans-86.6-1.7178.3-62-176.6178.6-103.2-0.3112.2E154R152-E154 WeakPolarHBondContact CA-OE2 3.44Å; R152-E154 WeakPolarHBondContact CB-OE2 3.24Å; R152-E154 PolarHBondContact N-OE2 2.83Å
153G95.2Very high89.6Confident12 Ų1232 Ų3212%0.12415%0.148CC..SBendtrans9211.7-173.700000113.1Y121 G150 F151Y121-G153 WeakPolarHBondContact CE1-O 3.33Å; G150-G153 PolarHBondContact O-N 2.98Å; F151-G153 VanDerWaalsContact C-N 3.27Å
154E96.8Very high88.4Confident21 Ų2131.4 Ų31.410%0.09815%0.147CC..  trans-64.5137173.970.1-78-170.800111.3E124 G150 F151 R152 P277E124-E154 WeakPolarHBondContact OE1-CA 3.34Å; E124-E154 VanDerWaalsContact OE1-CB 3.31Å; E124-E154 WeakPolarHBondContact OE1-CB 3.22Å; G150-E154 WeakPolarHBondContact CA-OE1 3.48Å; G150-E154 PolarHBondContact N-O 3.19Å; F151-E154 PolarHBondContact N-OE1 2.74Å; F151-E154 PolarHBondContact N-OE2 2.86Å; R152-E154 WeakPolarHBondContact CA-OE2 3.44Å; R152-E154 WeakPolarHBondContact CB-OE2 3.24Å; R152-E154 PolarHBondContact N-OE2 2.83Å; E154-P277 HydrophobicContact CG-CG 4.17Å
155L98Very high86.7Confident0 Ų036.4 Ų36.40%017%0.17CC..EExtended strand (participates in β ladder)trans-69.2140.2-179.5-177.6151.4000111.6N77 M103 Y121 E124 I125 L147 I157N77-L155 WeakPolarHBondContact CA-O 3.5Å; N77-L155 WeakPolarHBondContact CB-O 3.49Å; N77-L155 PolarHBondContact ND2-O 2.83Å; M103-L155 HydrophobicContact SD-CD1 4.22Å; Y121-L155 HydrophobicContact CD1-CB 3.96Å; Y121-L155 HydrophobicContact CD1-CD1 4.09Å; Y121-L155 HydrophobicContact CE1-CB 4.41Å; Y121-L155 HydrophobicContact CG-CD1 4.02Å; E124-L155 HydrophobicContact CB-CB 4.14Å; E124-L155 WeakPolarHBondContact OE2-CB 3.44Å; E124-L155 PolarHBondContact OE2-N 3.16Å; I125-L155 HydrophobicContact CB-CD1 4.26Å; I125-L155 HydrophobicContact CB-CD2 4.06Å; I125-L155 HydrophobicContact CD1-CD1 4.42Å; I125-L155 HydrophobicContact CD1-CD2 4.41Å; I125-L155 HydrophobicContact CG1-CD2 4.15Å; L147-L155 HydrophobicContact CD1-CD1 4.06Å; L147-L155 HydrophobicContact CD2-CD2 3.91Å; L147-L155 HydrophobicContact CD2-CG 4.28Å; L155-I157 HydrophobicContact CD2-CG1 4.1Å
156K98.1Very high84.9Confident8 Ų833.7 Ų33.74%0.03516%0.161CC..EExtended strand (participates in β ladder)trans-131.9112.3178.4-62.8-72.1-173.3160.30110.2P76 N77 L79 E96 L148 A158P76-K156 WeakPolarHBondContact O-CD 3.2Å; P76-K156 WeakPolarHBondContact O-CE 3.31Å; P76-K156 PolarHBondContact O-NZ 2.85Å; N77-K156 WeakPolarHBondContact O-CA 3.08Å; L79-K156 HydrophobicContact CB-CB 4.36Å; L79-K156 HydrophobicContact CD1-CB 4.08Å; L79-K156 HydrophobicContact CD1-CG 4.39Å; E96-K156 WeakPolarHBondContact OE1-CE 3.36Å; E96-K156 IonicContact OE1-NZ 3.09Å; E96-K156 PolarHBondContact OE1-NZ 3.37Å; E96-K156 IonicContact OE2-NZ 2.78Å; E96-K156 PolarHBondContact OE2-NZ 3.09Å; L148-K156 HydrophobicContact CB-CB 4.24Å; L148-K156 PolarHBondContact N-O 3.49Å; L148-K156 PolarHBondContact O-N 2.84Å; K156-A158 PolarHBondContact O-N 3.36Å
157I97.4Very high82.5Confident0 Ų037 Ų370%018%0.183CC..EExtended strand (participates in β ladder)trans-67.9119.9170.6-56.5178.6000109N77 L79 I125 A128 L129 H139 I142 L147 L155 F160N77-I157 PolarHBondContact O-N 3.25Å; L79-I157 VanDerWaalsContact CB-O 3.28Å; L79-I157 WeakPolarHBondContact CB-O 3.38Å; L79-I157 PolarHBondContact N-O 3.39Å; I125-I157 HydrophobicContact CG1-CD1 4.19Å; I125-I157 HydrophobicContact CG1-CG1 4.48Å; A128-I157 HydrophobicContact CB-CD1 3.61Å; A128-I157 HydrophobicContact CB-CG1 4.4Å; L129-I157 HydrophobicContact CD2-CD1 4.36Å; L129-I157 HydrophobicContact CG-CD1 4.41Å; H139-I157 WeakPolarHBondContact CD2-CG2 3.49Å; H139-I157 WeakPolarHBondContact NE2-CG2 3.15Å; I142-I157 HydrophobicContact CD1-CD1 4.19Å; I142-I157 HydrophobicContact CD1-CG2 4.32Å; L147-I157 HydrophobicContact CD2-CB 4.39Å; L147-I157 HydrophobicContact CD2-CG1 3.89Å; L155-I157 HydrophobicContact CD2-CG1 4.1Å; I157-F160 HydrophobicContact CB-CE2 4.34Å; I157-F160 HydrophobicContact CB-CZ 4.31Å; I157-F160 HydrophobicContact CG2-CE2 3.73Å; I157-F160 HydrophobicContact CG2-CZ 3.71Å
158A89.6Confident79.9Confident18 Ų1842 Ų4215%0.14922%0.218CC..  trans-111.7-32.2-168.100000115.8L79 N146 L148 K156L79-A158 HydrophobicContact CB-CB 4.19Å; L79-A158 HydrophobicContact CD2-CB 3.83Å; N146-A158 PolarHBondContact O-N 3.07Å; L148-A158 HydrophobicContact CD1-CB 3.67Å; L148-A158 HydrophobicContact CG-CB 3.68Å; K156-A158 PolarHBondContact O-N 3.36Å
159D80.2Confident77.3Confident49 Ų4945.3 Ų45.326%0.26224%0.235SC..  trans-112.4101.7-171.8-166.2-16.2000113H139 N146 G161H139-D159 PolarHBondContact CE1-O 3.37Å; H139-D159 PolarHBondContact NE2-O 2.91Å; N146-D159 HydrophobicContact CB-CB 4.05Å; D159-G161 WeakPolarHBondContact OD1-CA 3.26Å; D159-G161 PolarHBondContact OD1-N 3.08Å
160F81.4Confident74.9Confident1 Ų154.8 Ų54.80%0.00427%0.271CS..  trans-9515.5176.6-72-99.6000113E66 I69 Q70 L73 I78 V137 H139 I157 W162 S163E66-F160 HydrophobicContact CG-CB 4.47Å; I69-F160 HydrophobicContact CG2-CD1 3.98Å; Q70-F160 HydrophobicContact CB-CD2 4.44Å; Q70-F160 HydrophobicContact CG-CD2 3.95Å; Q70-F160 HydrophobicContact CG-CE2 4.32Å; L73-F160 HydrophobicContact CD1-CD1 3.81Å; L73-F160 HydrophobicContact CD1-CE1 3.25Å; L73-F160 HydrophobicContact CD1-CE2 4.33Å; L73-F160 HydrophobicContact CD1-CZ 3.56Å; I78-F160 HydrophobicContact CD1-CZ 4.38Å; I78-F160 HydrophobicContact CG1-CZ 4.46Å; I78-F160 HydrophobicContact CG2-CE2 3.72Å; I78-F160 HydrophobicContact CG2-CZ 3.69Å; V137-F160 HydrophobicContact CG1-CD1 4.43Å; V137-F160 HydrophobicContact CG1-CE1 4.46Å; H139-F160 AromaticContact CD2-CE1 3.86Å; I157-F160 HydrophobicContact CB-CE2 4.34Å; I157-F160 HydrophobicContact CB-CZ 4.31Å; I157-F160 HydrophobicContact CG2-CE2 3.73Å; I157-F160 HydrophobicContact CG2-CZ 3.71Å; F160-W162 PolarHBondContact O-N 2.76Å; F160-S163 WeakPolarHBondContact CA-OG 3.35Å; F160-S163 WeakPolarHBondContact CD1-OG 3.38Å; F160-S163 VanDerWaalsContact O-CB 3.29Å; F160-S163 WeakPolarHBondContact O-CB 3.43Å; F160-S163 PolarHBondContact O-N 3.19Å; F160-S163 PolarHBondContact O-OG 3.36Å
161G67.6Low72.8Confident9 Ų959 Ų599%0.09329%0.286CS..THydrogen-bonded Turntrans-60.2-28.4-177.200000113.6Q62 D159Q62-G161 WeakPolarHBondContact CG-O 3.46Å; Q62-G161 PolarHBondContact NE2-O 3.12Å; D159-G161 WeakPolarHBondContact OD1-CA 3.26Å; D159-G161 PolarHBondContact OD1-N 3.08Å
162W66.3Low70.3Confident99 Ų9962.2 Ų62.238%0.37529%0.294SS..THydrogen-bonded Turntrans-98.8-0.8173.8-64.7107.6000113.6H139 R140 D141 F160 C175H139-W162 CarbonylContact O-C 3.3Å; R140-W162 PolarHBondContact NE-O 3.14Å; R140-W162 PolarHBondContact NH2-O 3.43Å; D141-W162 HydrophobicContact CB-CB 4.07Å; D141-W162 HydrophobicContact CB-CG 4.21Å; D141-W162 VanDerWaalsContact OD2-CD1 3.27Å; F160-W162 PolarHBondContact O-N 2.76Å; W162-C175 HydrophobicContact CD2-CB 3.78Å; W162-C175 HydrophobicContact CE3-CB 3.38Å; W162-C175 HydrophobicContact CG-CB 4.34Å; W162-C175 HydrophobicContact CH2-CB 4.4Å; W162-C175 HydrophobicContact CZ3-CB 3.74Å
163S65.4Low67.9Low0 Ų059 Ų590%029%0.291CS..  trans-72.2150.5-178.3-56.10000112.1R65 I138 H139 F160R65-S163 VanDerWaalsContact CD-O 3.29Å; R65-S163 WeakPolarHBondContact CD-O 3.28Å; I138-S163 WeakPolarHBondContact O-CA 3.37Å; I138-S163 WeakPolarHBondContact O-CB 3.31Å; H139-S163 PolarHBondContact O-N 2.92Å; H139-S163 PolarHBondContact O-OG 2.98Å; F160-S163 WeakPolarHBondContact CA-OG 3.35Å; F160-S163 WeakPolarHBondContact CD1-OG 3.38Å; F160-S163 VanDerWaalsContact O-CB 3.29Å; F160-S163 WeakPolarHBondContact O-CB 3.43Å; F160-S163 PolarHBondContact O-N 3.19Å; F160-S163 PolarHBondContact O-OG 3.36Å
164V67.6Low65.6Low12 Ų1264.2 Ų64.27%0.07331%0.314CS..EExtended strand (participates in β ladder)trans-138.5143.8-179.8-70.40000111.1V137 I138 R140V137-V164 WeakPolarHBondContact CA-O 3.36Å; I138-V164 HydrophobicContact CB-CG2 4.37Å; I138-V164 PolarHBondContact N-O 3.19Å; I138-V164 VanDerWaalsContact N-O 3.09Å; I138-V164 PolarHBondContact O-N 3.46Å; R140-V164 VanDerWaalsContact NH2-CG1 3.26Å
165H58.5Low63.2Low104 Ų10463.6 Ų63.648%0.48131%0.312SS..EExtended strand (participates in β ladder)trans-81.3115.5164.9-154.582.2000108.2K135 K136 P167K135-H165 PolarHBondContact O-CE1 3.19Å; K135-H165 PolarHBondContact O-ND1 3.29Å; K136-H165 CarbonylContact O-C 3.56Å; K136-H165 WeakPolarHBondContact O-CA 3.49Å; H165-P167 VanDerWaalsContact C-CD 3.45Å; H165-P167 WeakPolarHBondContact O-CD 3.27Å
166A53Low61.1Low19 Ų1965.2 Ų65.216%0.15733%0.328CS..  trans-124.573-174.400000111.6K136 I138 S168K136-A166 PolarHBondContact O-N 3.32Å; I138-A166 HydrophobicContact CD1-CB 3.77Å; I138-A166 HydrophobicContact CG1-CB 4.37Å; A166-S168 VanDerWaalsContact C-N 3.31Å; A166-S168 PolarHBondContact O-N 3.16Å
167P42.4Very low59.6Low86 Ų8666.8 Ų66.856%0.55834%0.339SS*.SBendtrans-71.3-20.8-179.925.2-30.4000113.7H165H165-P167 VanDerWaalsContact C-CD 3.45Å; H165-P167 WeakPolarHBondContact O-CD 3.27Å
168S41.6Very low58.8Low103 Ų10368.1 Ų68.172%0.7235%0.346SS*.SBendtrans-161.414.4-175.157.30000118.2A166A166-S168 VanDerWaalsContact C-N 3.31Å; A166-S168 PolarHBondContact O-N 3.16Å
169L42Very low58.7Low106 Ų10668.4 Ų68.456%0.55535%0.345SS*.  trans-133.9116.1-175.4-80.7153.9000113.4R171L169-R171 WeakPolarHBondContact O-CD 3.29Å; L169-R171 WeakPolarHBondContact O-CG 3.23Å; L169-R171 PolarHBondContact O-NE 2.91Å
170R48Very low59.4Low199 Ų19966.5 Ų66.575%0.75133%0.334SS*.  trans-49.7134.4157.2-86-178.8-176.5-168.64110.3T190R170-T190 HydrophobicContact CB-CG2 3.97Å
171R52.3Low59.9Low91 Ų9166.9 Ų66.934%0.34334%0.336SS..BIsolated β-bridgetrans-121.1157.4-168.4-61.2-56.6-171.6167.12.9114.2L169 T190 H191L169-R171 WeakPolarHBondContact O-CD 3.29Å; L169-R171 WeakPolarHBondContact O-CG 3.23Å; L169-R171 PolarHBondContact O-NE 2.91Å; R171-T190 CarbonylContact O-C 3.45Å; R171-T190 WeakPolarHBondContact O-CA 3.48Å; R171-H191 WeakPolarHBondContact CB-NE2 3.43Å; R171-H191 PolarHBondContact N-O 3.49Å; R171-H191 PolarHBondContact O-CE1 3.03Å; R171-H191 PolarHBondContact O-N 3.27Å; R171-H191 PolarHBondContact O-ND1 2.79Å
172R41.2Very low61.2Low218 Ų21866.6 Ų66.682%0.82333%0.332SS*.  trans-118.4-2.1-177-67.4-173.6-179.5-176.6-0.5115.9M174 T190R172-M174 PolarHBondContact O-N 2.78Å; R172-T190 HydrophobicContact CG-CG2 4.34Å
173T44.3Very low62.6Low83 Ų8361.9 Ų61.951%0.50931%0.314SS..  trans-73.5125.8-176.4-48.80000111.7H191T173-H191 PolarHBondContact O-CE1 3.09Å; T173-H191 VanDerWaalsContact O-CE1 3.27Å
174M45.2Very low64Low123 Ų12362.2 Ų62.261%0.60632%0.316SS*.  trans-77.4119.3170.3-170.5-172.6-69.700109.5R172R172-M174 PolarHBondContact O-N 2.78Å
175C48.2Very low65.1Low8 Ų862.1 Ų62.15%0.05432%0.315CS..  trans-151.8147.5176.956.60000110.5W162 L181W162-C175 HydrophobicContact CD2-CB 3.78Å; W162-C175 HydrophobicContact CE3-CB 3.38Å; W162-C175 HydrophobicContact CG-CB 4.34Å; W162-C175 HydrophobicContact CH2-CB 4.4Å; W162-C175 HydrophobicContact CZ3-CB 3.74Å; C175-L181 VanDerWaalsContact O-CD2 3.32Å; C175-L181 WeakPolarHBondContact O-CD2 3.44Å
176G53.9Low66.6Low33 Ų3359 Ų5934%0.3430%0.301SS..SBendtrans132.3172.6-179.300000113.2D141D141-G176 WeakPolarHBondContact OD1-CA 3.41Å
177T66.1Low68.5Low42 Ų4261.5 Ų61.526%0.25831%0.31SS..  trans-78140.6162.9-62.50000109.2K143 D179 Y180 L181K143-T177 WeakPolarHBondContact CD-OG1 3.34Å; K143-T177 WeakPolarHBondContact CE-OG1 3.29Å; K143-T177 PolarHBondContact NZ-OG1 3.33Å; T177-D179 VanDerWaalsContact C-N 3.25Å; T177-D179 PolarHBondContact O-N 3.35Å; T177-D179 VanDerWaalsContact O-N 3.12Å; T177-Y180 PolarHBondContact O-N 3.09Å; T177-L181 PolarHBondContact O-N 2.99Å
178L80.6Confident70.6Confident28 Ų2860 Ų6015%0.14731%0.31CS..G310 helixtrans-49.3-43.1-171.6179.2136.5000113.5Y180 L181 H219 T222 Y223L178-Y180 PolarHBondContact O-N 3.32Å; L178-L181 PolarHBondContact O-N 3.44Å; L178-H219 HydrophobicContact CD1-CB 3.76Å; L178-H219 VanDerWaalsContact CD1-CG 3.5Å; L178-T222 HydrophobicContact CD2-CG2 3.36Å; L178-T222 HydrophobicContact CG-CG2 4.48Å; L178-Y223 HydrophobicContact CD1-CD1 4.43Å; L178-Y223 HydrophobicContact CD1-CE1 3.56Å; L178-Y223 HydrophobicContact CG-CD1 4.47Å; L178-Y223 HydrophobicContact CG-CE1 3.79Å
179D86.9Confident72.9Confident24 Ų2460.2 Ų60.213%0.12830%0.3CS..G310 helixtrans-73.6-11.5-176.2-50.6-76.3000114.2T177 P212T177-D179 VanDerWaalsContact C-N 3.25Å; T177-D179 PolarHBondContact O-N 3.35Å; T177-D179 VanDerWaalsContact O-N 3.12Å; D179-P212 HydrophobicContact CB-CB 3.73Å; D179-P212 HydrophobicContact CB-CG 3.83Å
180Y94.3Very high75Confident9 Ų957.9 Ų57.94%0.03529%0.29CS..G310 helixtrans-106.3-2.8179.8-81.9-99000113.3I142 K143 P144 T177 L178 C199 V202 L203 E206I142-Y180 WeakPolarHBondContact O-CD1 3.46Å; I142-Y180 VanDerWaalsContact O-CE1 3.32Å; I142-Y180 WeakPolarHBondContact O-CE1 3.47Å; K143-Y180 HydrophobicContact CB-CD1 4.29Å; K143-Y180 HydrophobicContact CB-CD2 4.18Å; K143-Y180 HydrophobicContact CB-CE1 4.15Å; K143-Y180 HydrophobicContact CB-CE2 4.06Å; K143-Y180 HydrophobicContact CB-CG 4.3Å; P144-Y180 VanDerWaalsContact CD-OH 3.26Å; P144-Y180 WeakPolarHBondContact CD-OH 3.27Å; T177-Y180 PolarHBondContact O-N 3.09Å; L178-Y180 PolarHBondContact O-N 3.32Å; Y180-C199 HydrophobicContact CD1-CB 4.18Å; Y180-V202 HydrophobicContact CD1-CB 3.81Å; Y180-V202 HydrophobicContact CD1-CG1 3.61Å; Y180-V202 HydrophobicContact CD2-CG1 3.95Å; Y180-V202 HydrophobicContact CE1-CB 3.75Å; Y180-V202 HydrophobicContact CE1-CG1 3.48Å; Y180-V202 VanDerWaalsContact CE1-CG1 3.48Å; Y180-V202 HydrophobicContact CE2-CG1 3.8Å; Y180-V202 HydrophobicContact CG-CB 4.44Å; Y180-V202 HydrophobicContact CG-CG1 3.85Å; Y180-L203 HydrophobicContact CE1-CB 4.17Å; Y180-E206 WeakPolarHBondContact CE2-OE2 3.41Å; Y180-E206 PolarHBondContact OH-OE2 2.92Å
181L92.1Very high76.7Confident8 Ų848.7 Ų48.74%0.04226%0.255CS..  trans-66131.3-179.7-71.1175.4000110.6C175 T177 L178 M185 I186 W198 Y223 I226C175-L181 VanDerWaalsContact O-CD2 3.32Å; C175-L181 WeakPolarHBondContact O-CD2 3.44Å; T177-L181 PolarHBondContact O-N 2.99Å; L178-L181 PolarHBondContact O-N 3.44Å; L181-M185 HydrophobicContact CD2-SD 4.17Å; L181-I186 HydrophobicContact CB-CD1 4.22Å; L181-I186 HydrophobicContact CB-CG1 4.09Å; L181-I186 HydrophobicContact CD1-CG1 4.47Å; L181-W198 PolarHBondContact O-NE1 3.25Å; L181-W198 VanDerWaalsContact O-NE1 3.14Å; L181-Y223 HydrophobicContact CD1-CE1 4.18Å; L181-I226 WeakPolarHBondContact O-CG2 3.5Å
182P95.2Very high78.6Confident3 Ų346.2 Ų46.22%0.01925%0.252CS..  trans-79.1155.2174.134.8-37.4000111.3E184 M185 I186 V195 W198P182-E184 VanDerWaalsContact C-N 3.3Å; P182-E184 WeakPolarHBondContact CB-OE2 3.43Å; P182-E184 HydrophobicContact CG-CG 4.49Å; P182-E184 PolarHBondContact O-N 3.42Å; P182-M185 HydrophobicContact CG-CB 4.06Å; P182-M185 HydrophobicContact CG-CG 3.77Å; P182-M185 HydrophobicContact CG-SD 3.78Å; P182-M185 PolarHBondContact O-N 2.8Å; P182-I186 PolarHBondContact O-N 2.78Å; P182-V195 HydrophobicContact CG-CB 4.02Å; P182-V195 HydrophobicContact CG-CG1 3.74Å; P182-W198 HydrophobicContact CB-CB 3.96Å; P182-W198 HydrophobicContact CB-CD2 4.14Å; P182-W198 HydrophobicContact CB-CG 3.66Å
183P96.4Very high81.1Confident0 Ų039.3 Ų39.30%023%0.229CC..Hα-helixtrans-53.3-42.5-176.2-28.536.1000114M185 I186 E187 W198 I226P183-M185 PolarHBondContact O-N 3.07Å; P183-I186 PolarHBondContact O-N 3.3Å; P183-I186 VanDerWaalsContact O-N 3.08Å; P183-E187 WeakPolarHBondContact O-CB 3.49Å; P183-E187 WeakPolarHBondContact O-CG 3.34Å; P183-E187 PolarHBondContact O-N 2.83Å; P183-W198 HydrophobicContact CG-CE3 4.37Å; P183-W198 HydrophobicContact CG-CH2 3.73Å; P183-W198 HydrophobicContact CG-CZ2 4.22Å; P183-W198 HydrophobicContact CG-CZ3 3.81Å; P183-I226 HydrophobicContact CG-CG2 3.96Å
184E94.8Very high83.6Confident7 Ų737.2 Ų37.23%0.03321%0.213CC..Hα-helixtrans-62.8-27.1-179.465.4-88.7-151.100113.5P182 G188 H189 H191 V195 P253 R256P182-E184 VanDerWaalsContact C-N 3.3Å; P182-E184 WeakPolarHBondContact CB-OE2 3.43Å; P182-E184 HydrophobicContact CG-CG 4.49Å; P182-E184 PolarHBondContact O-N 3.42Å; E184-G188 PolarHBondContact O-N 2.94Å; E184-H189 HydrophobicContact CB-CB 3.98Å; E184-H189 WeakPolarHBondContact O-CA 3.19Å; E184-H189 WeakPolarHBondContact O-CB 3.14Å; E184-H189 PolarHBondContact O-N 3.34Å; E184-H191 HydrophobicContact CG-CB 4Å; E184-V195 WeakPolarHBondContact OE1-CG1 3.43Å; E184-P253 HydrophobicContact CB-CG 4.49Å; E184-P253 HydrophobicContact CG-CG 4.28Å; E184-R256 IonicContact OE1-CZ 2.76Å; E184-R256 IonicContact OE1-NH1 2.98Å; E184-R256 PolarHBondContact OE1-NH1 3.45Å; E184-R256 IonicContact OE1-NH2 3.21Å; E184-R256 PolarHBondContact OE1-NH2 3.42Å; E184-R256 IonicContact OE2-CZ 3.08Å; E184-R256 IonicContact OE2-NH1 3.36Å; E184-R256 IonicContact OE2-NH2 3.09Å; E184-R256 PolarHBondContact OE2-NH2 3.45Å
185M90.8Very high86Confident10 Ų1031.4 Ų31.45%0.04918%0.184CC..Hα-helixtrans-77.3-36.8174.9-77.8-175.8169.300111.6L181 P182 P183 G188 H191 V195L181-M185 HydrophobicContact CD2-SD 4.17Å; P182-M185 HydrophobicContact CG-CB 4.06Å; P182-M185 HydrophobicContact CG-CG 3.77Å; P182-M185 HydrophobicContact CG-SD 3.78Å; P182-M185 PolarHBondContact O-N 2.8Å; P183-M185 PolarHBondContact O-N 3.07Å; M185-G188 PolarHBondContact O-N 2.96Å; M185-H191 HydrophobicContact CE-CB 4.38Å; M185-H191 HydrophobicContact CG-CB 4.46Å; M185-V195 HydrophobicContact CE-CG1 4.11Å
186I90.4Very high88.3Confident38 Ų3831 Ų3120%0.19518%0.182CC..Hα-helixtrans-69.1-40.6177.5-62.1177.6000110.5L181 P182 P183 G188 Y223 I226 T227L181-I186 HydrophobicContact CB-CD1 4.22Å; L181-I186 HydrophobicContact CB-CG1 4.09Å; L181-I186 HydrophobicContact CD1-CG1 4.47Å; P182-I186 PolarHBondContact O-N 2.78Å; P183-I186 PolarHBondContact O-N 3.3Å; P183-I186 VanDerWaalsContact O-N 3.08Å; I186-G188 PolarHBondContact O-N 2.82Å; I186-Y223 HydrophobicContact CD1-CD1 3.7Å; I186-Y223 HydrophobicContact CD1-CE1 4.35Å; I186-Y223 HydrophobicContact CD1-CG 4.32Å; I186-Y223 HydrophobicContact CG1-CD1 4.22Å; I186-Y223 HydrophobicContact CG2-CD1 4.37Å; I186-Y223 HydrophobicContact CG2-CG 4.1Å; I186-I226 HydrophobicContact CD1-CB 3.69Å; I186-I226 HydrophobicContact CD1-CD1 3.69Å; I186-I226 HydrophobicContact CD1-CG1 4.28Å; I186-I226 HydrophobicContact CD1-CG2 3.4Å; I186-I226 VanDerWaalsContact CD1-CG2 3.4Å; I186-T227 HydrophobicContact CB-CG2 4.21Å; I186-T227 HydrophobicContact CG2-CG2 3.87Å
187E92.2Very high90.4Very high73 Ų7329.6 Ų29.634%0.34117%0.166SC..THydrogen-bonded Turntrans-76.5-3.6179.3-66.4168.7177.700113.1P183 H189 T227 H251P183-E187 WeakPolarHBondContact O-CB 3.49Å; P183-E187 WeakPolarHBondContact O-CG 3.34Å; P183-E187 PolarHBondContact O-N 2.83Å; E187-H189 PolarHBondContact O-N 3.31Å; E187-H189 IonicContact OE2-CE1 3.07Å; E187-H189 PolarHBondContact OE2-CE1 3.38Å; E187-H189 IonicContact OE2-ND1 3.74Å; E187-H189 PolarHBondContact OE2-ND1 2.81Å; E187-H189 VanDerWaalsContact OE2-ND1 3.07Å; E187-T227 HydrophobicContact CG-CG2 3.99Å; E187-H251 IonicContact OE1-CD2 2.94Å; E187-H251 IonicContact OE1-CE1 2.82Å; E187-H251 PolarHBondContact OE1-CE1 3.39Å; E187-H251 IonicContact OE1-NE2 3.78Å; E187-H251 PolarHBondContact OE1-NE2 3.48Å; E187-H251 IonicContact OE2-CE1 2.67Å; E187-H251 IonicContact OE2-NE2 3.79Å
188G86.8Confident92Very high55 Ų5527.6 Ų27.657%0.56715%0.154SC*.THydrogen-bonded Turntrans72.516.4-179.700000114.1E184 M185 I186E184-G188 PolarHBondContact O-N 2.94Å; M185-G188 PolarHBondContact O-N 2.96Å; I186-G188 PolarHBondContact O-N 2.82Å
189H89Confident92.8Very high107 Ų10726.5 Ų26.550%0.49515%0.148SC..  trans-75.1165.6174.7-64.3150000111.6E184 E187E184-H189 HydrophobicContact CB-CB 3.98Å; E184-H189 WeakPolarHBondContact O-CA 3.19Å; E184-H189 WeakPolarHBondContact O-CB 3.14Å; E184-H189 PolarHBondContact O-N 3.34Å; E187-H189 PolarHBondContact O-N 3.31Å; E187-H189 IonicContact OE2-CE1 3.07Å; E187-H189 PolarHBondContact OE2-CE1 3.38Å; E187-H189 IonicContact OE2-ND1 3.74Å; E187-H189 PolarHBondContact OE2-ND1 2.81Å; E187-H189 VanDerWaalsContact OE2-ND1 3.07Å
190T85.7Confident93.4Very high57 Ų5725.3 Ų25.335%0.3514%0.142SC..  trans-75.2138.2173.455.90000111.8R170 R171 R172R170-T190 HydrophobicContact CB-CG2 3.97Å; R171-T190 CarbonylContact O-C 3.45Å; R171-T190 WeakPolarHBondContact O-CA 3.48Å; R172-T190 HydrophobicContact CG-CG2 4.34Å
191H85Confident93.6Very high6 Ų624.9 Ų24.93%0.02814%0.141CC..BIsolated β-bridgetrans-111.6159.6178.558-92.6000113.6R140 R171 T173 E184 M185 V195R140-H191 PolarHBondContact NH1-NE2 3.14Å; R171-H191 WeakPolarHBondContact CB-NE2 3.43Å; R171-H191 PolarHBondContact N-O 3.49Å; R171-H191 PolarHBondContact O-CE1 3.03Å; R171-H191 PolarHBondContact O-N 3.27Å; R171-H191 PolarHBondContact O-ND1 2.79Å; T173-H191 PolarHBondContact O-CE1 3.09Å; T173-H191 VanDerWaalsContact O-CE1 3.27Å; E184-H191 HydrophobicContact CG-CB 4Å; M185-H191 HydrophobicContact CE-CB 4.38Å; M185-H191 HydrophobicContact CG-CB 4.46Å; H191-V195 HydrophobicContact CB-CG1 3.59Å
192S91.1Very high93.9Very high39 Ų3924.5 Ų24.527%0.27314%0.139SC..  trans-129.7-166.4175.5850000111K194 V195S192-K194 PolarHBondContact O-N 3.42Å; S192-K194 VanDerWaalsContact O-N 3.1Å; S192-K194 WeakPolarHBondContact OG-CG 3.2Å; S192-K194 PolarHBondContact OG-N 3.28Å; S192-V195 WeakPolarHBondContact O-CG1 3.34Å; S192-V195 WeakPolarHBondContact O-CG2 3.47Å; S192-V195 PolarHBondContact O-N 3.14Å
193E93.6Very high94.1Very high72 Ų7224.4 Ų24.434%0.33614%0.138SC..THydrogen-bonded Turntrans-57.4-19174.680.6-65.6162.100114.1H133 I138 V195 D196H133-E193 PolarHBondContact CE1-O 2.97Å; I138-E193 HydrophobicContact CD1-CB 4.25Å; I138-E193 HydrophobicContact CG1-CB 3.94Å; E193-V195 PolarHBondContact O-N 3.04Å; E193-V195 VanDerWaalsContact O-N 3.08Å; E193-D196 PolarHBondContact O-N 3.42Å; E193-D196 VanDerWaalsContact O-N 3.07Å
194K97.1Very high94.2Very high39 Ų3924.4 Ų24.417%0.1714%0.138CC..Hα-helixtrans-61-14.5176.5-61.8-63.5-172.6139.20114.2S192 D196 L197 W198 P253 R256S192-K194 PolarHBondContact O-N 3.42Å; S192-K194 VanDerWaalsContact O-N 3.1Å; S192-K194 WeakPolarHBondContact OG-CG 3.2Å; S192-K194 PolarHBondContact OG-N 3.28Å; K194-D196 VanDerWaalsContact C-N 3.32Å; K194-L197 HydrophobicContact CD-CD2 3.7Å; K194-L197 WeakPolarHBondContact O-CB 3.13Å; K194-L197 PolarHBondContact O-N 3.29Å; K194-W198 PolarHBondContact O-N 2.86Å; K194-P253 HydrophobicContact CB-CB 3.74Å; K194-P253 HydrophobicContact CG-CB 4.25Å; K194-R256 PolarHBondContact O-NH1 3.2Å
195V95.6Very high94.4Very high1 Ų124.9 Ų24.91%0.00614%0.139CC..Hα-helixtrans-66.4-35.2172.7-59.30000112.1I138 R140 P182 E184 M185 H191 S192 E193 L197 W198 C199I138-V195 HydrophobicContact CG2-CG2 3.8Å; R140-V195 HydrophobicContact CG-CG2 4.04Å; P182-V195 HydrophobicContact CG-CB 4.02Å; P182-V195 HydrophobicContact CG-CG1 3.74Å; E184-V195 WeakPolarHBondContact OE1-CG1 3.43Å; M185-V195 HydrophobicContact CE-CG1 4.11Å; H191-V195 HydrophobicContact CB-CG1 3.59Å; S192-V195 WeakPolarHBondContact O-CG1 3.34Å; S192-V195 WeakPolarHBondContact O-CG2 3.47Å; S192-V195 PolarHBondContact O-N 3.14Å; E193-V195 PolarHBondContact O-N 3.04Å; E193-V195 VanDerWaalsContact O-N 3.08Å; V195-L197 PolarHBondContact O-N 2.72Å; V195-W198 WeakPolarHBondContact O-CB 3.41Å; V195-W198 PolarHBondContact O-N 3.01Å; V195-W198 VanDerWaalsContact O-N 3.16Å; V195-C199 PolarHBondContact O-N 3.41Å; V195-C199 PolarHBondContact O-SG 2.93Å
196D97.1Very high94.7Very high0 Ų024.9 Ų24.90%014%0.139CC..Hα-helixtrans-66.5-32.5179.6-66.8-26.2000110.6L129 H133 I138 H139 R140 E193 K194 C199 I200L129-D196 HydrophobicContact CD1-CB 4.05Å; L129-D196 HydrophobicContact CD2-CB 4.08Å; H133-D196 IonicContact CD2-OD2 2.8Å; H133-D196 IonicContact CE1-OD2 3.71Å; H133-D196 IonicContact NE2-OD2 3.79Å; H133-D196 PolarHBondContact NE2-OD2 3.1Å; I138-D196 WeakPolarHBondContact CG2-OD2 3.33Å; H139-D196 PolarHBondContact N-OD1 3.13Å; H139-D196 PolarHBondContact N-OD2 3.08Å; R140-D196 PolarHBondContact N-OD1 3.36Å; E193-D196 PolarHBondContact O-N 3.42Å; E193-D196 VanDerWaalsContact O-N 3.07Å; K194-D196 VanDerWaalsContact C-N 3.32Å; D196-C199 PolarHBondContact O-N 3.12Å; D196-I200 WeakPolarHBondContact O-CG2 2.94Å; D196-I200 PolarHBondContact O-N 2.95Å
197L98.6Very high95.1Very high4 Ų423.2 Ų23.22%0.02113%0.131CC..Hα-helixtrans-64.8-40175.2-73.859.8000111.4K194 V195 I200 G201 L248 R256 L257 L259K194-L197 HydrophobicContact CD-CD2 3.7Å; K194-L197 WeakPolarHBondContact O-CB 3.13Å; K194-L197 PolarHBondContact O-N 3.29Å; V195-L197 PolarHBondContact O-N 2.72Å; L197-I200 VanDerWaalsContact O-CG1 3.23Å; L197-I200 WeakPolarHBondContact O-CG1 3.22Å; L197-G201 PolarHBondContact O-N 2.78Å; L197-L248 HydrophobicContact CB-CD2 4.3Å; L197-R256 HydrophobicContact CB-CB 4.22Å; L197-R256 HydrophobicContact CD2-CB 3.98Å; L197-L257 VanDerWaalsContact CD2-O 3.27Å; L197-L257 WeakPolarHBondContact CD2-O 3.36Å; L197-L259 HydrophobicContact CD1-CD1 4.4Å; L197-L259 HydrophobicContact CD1-CD2 4.03Å; L197-L259 HydrophobicContact CD1-CG 4Å; L197-L259 HydrophobicContact CG-CD2 4.2Å; L197-L259 HydrophobicContact CG-CG 4.37Å
198W98.6Very high95.4Very high0 Ų020 Ų200%012%0.116CC..Hα-helixtrans-62.5-49.8172.7174.8-87.9000110.7L181 P182 P183 K194 V195 I200 G201 V202 F214 I226 V229 L249L181-W198 PolarHBondContact O-NE1 3.25Å; L181-W198 VanDerWaalsContact O-NE1 3.14Å; P182-W198 HydrophobicContact CB-CB 3.96Å; P182-W198 HydrophobicContact CB-CD2 4.14Å; P182-W198 HydrophobicContact CB-CG 3.66Å; P183-W198 HydrophobicContact CG-CE3 4.37Å; P183-W198 HydrophobicContact CG-CH2 3.73Å; P183-W198 HydrophobicContact CG-CZ2 4.22Å; P183-W198 HydrophobicContact CG-CZ3 3.81Å; K194-W198 PolarHBondContact O-N 2.86Å; V195-W198 WeakPolarHBondContact O-CB 3.41Å; V195-W198 PolarHBondContact O-N 3.01Å; V195-W198 VanDerWaalsContact O-N 3.16Å; W198-I200 VanDerWaalsContact C-N 3.32Å; W198-I200 PolarHBondContact O-N 3.45Å; W198-G201 WeakPolarHBondContact O-CA 3.36Å; W198-G201 PolarHBondContact O-N 2.93Å; W198-V202 PolarHBondContact O-N 3.06Å; W198-F214 AromaticContact CH2-CE2 3.83Å; W198-F214 HydrophobicContact CH2-CE2 3.83Å; W198-F214 AromaticContact CH2-CZ 3.78Å; W198-F214 HydrophobicContact CH2-CZ 3.78Å; W198-F214 HydrophobicContact CZ2-CD2 4.15Å; W198-F214 AromaticContact CZ2-CE2 3.32Å; W198-F214 HydrophobicContact CZ2-CE2 3.32Å; W198-F214 AromaticContact CZ2-CZ 3.78Å; W198-F214 HydrophobicContact CZ2-CZ 3.78Å; W198-I226 HydrophobicContact CH2-CG2 4.35Å; W198-I226 HydrophobicContact CZ2-CG2 3.81Å; W198-V229 HydrophobicContact CH2-CG1 4.4Å; W198-V229 HydrophobicContact CH2-CG2 4.19Å; W198-V229 HydrophobicContact CZ3-CG2 4.26Å; W198-L249 HydrophobicContact CD2-CD2 3.68Å; W198-L249 HydrophobicContact CE3-CB 4.43Å; W198-L249 HydrophobicContact CE3-CD2 3.75Å; W198-L249 HydrophobicContact CG-CD2 4.18Å; W198-L249 HydrophobicContact CH2-CD2 4.33Å; W198-L249 HydrophobicContact CZ2-CD2 4.26Å; W198-L249 HydrophobicContact CZ3-CB 4.14Å; W198-L249 HydrophobicContact CZ3-CD2 4.08Å; W198-L249 WeakPolarHBondContact O-CD2 3.35Å
199C97.9Very high95.9Very high4 Ų419 Ų193%0.02710%0.099CC..Hα-helixtrans-60.4-38.2-177.7-60.50000112.7I142 Y180 V195 D196 G201 V202 L203I142-C199 HydrophobicContact CB-CB 3.77Å; I142-C199 HydrophobicContact CG2-CB 4.3Å; Y180-C199 HydrophobicContact CD1-CB 4.18Å; V195-C199 PolarHBondContact O-N 3.41Å; V195-C199 PolarHBondContact O-SG 2.93Å; D196-C199 PolarHBondContact O-N 3.12Å; C199-G201 VanDerWaalsContact C-N 3.3Å; C199-G201 PolarHBondContact O-N 3.21Å; C199-V202 PolarHBondContact O-N 3.05Å; C199-L203 WeakPolarHBondContact O-CB 3.38Å; C199-L203 PolarHBondContact O-N 3.33Å
200I98.6Very high96.2Very high0 Ų014.2 Ų14.20%08%0.078CC..Hα-helixtrans-70.9-25.7174.966170.5000112.8M122 I125 L129 I142 D196 L197 W198 C204 L248 L259 V262M122-I200 HydrophobicContact CE-CB 3.88Å; M122-I200 HydrophobicContact CE-CD1 4.06Å; M122-I200 HydrophobicContact CE-CG1 4.11Å; M122-I200 WeakPolarHBondContact CE-O 2.87Å; I125-I200 HydrophobicContact CD1-CG2 4.03Å; I125-I200 HydrophobicContact CG1-CG2 4.22Å; I125-I200 HydrophobicContact CG2-CB 4.46Å; I125-I200 HydrophobicContact CG2-CG2 3.92Å; L129-I200 HydrophobicContact CD1-CG2 3.52Å; I142-I200 HydrophobicContact CG2-CG2 4.14Å; D196-I200 WeakPolarHBondContact O-CG2 2.94Å; D196-I200 PolarHBondContact O-N 2.95Å; L197-I200 VanDerWaalsContact O-CG1 3.23Å; L197-I200 WeakPolarHBondContact O-CG1 3.22Å; W198-I200 VanDerWaalsContact C-N 3.32Å; W198-I200 PolarHBondContact O-N 3.45Å; I200-C204 VanDerWaalsContact O-CB 3.31Å; I200-C204 WeakPolarHBondContact O-CB 3.3Å; I200-C204 PolarHBondContact O-N 3.35Å; I200-L248 HydrophobicContact CD1-CD1 4.39Å; I200-L248 HydrophobicContact CD1-CD2 4.06Å; I200-L248 HydrophobicContact CG1-CD1 4.18Å; I200-L248 HydrophobicContact CG1-CD2 4.1Å; I200-L259 HydrophobicContact CD1-CD2 3.6Å; I200-V262 HydrophobicContact CD1-CG2 4.29Å
201G98.8Very high96.6Very high0 Ų015.6 Ų15.60%08%0.083CC..Hα-helixtrans-67-43.7170.300000112.1L197 W198 C199 C204 Y205L197-G201 PolarHBondContact O-N 2.78Å; W198-G201 WeakPolarHBondContact O-CA 3.36Å; W198-G201 PolarHBondContact O-N 2.93Å; C199-G201 VanDerWaalsContact C-N 3.3Å; C199-G201 PolarHBondContact O-N 3.21Å; G201-C204 PolarHBondContact O-N 3.2Å; G201-Y205 PolarHBondContact O-N 3.44Å
202V98.7Very high97.1Very high0 Ų016.2 Ų16.20%09%0.088CC..Hα-helixtrans-61.6-47.2173.21780000109.9Y180 W198 C199 C204 Y205 E206 P212 P213 F214 L249Y180-V202 HydrophobicContact CD1-CB 3.81Å; Y180-V202 HydrophobicContact CD1-CG1 3.61Å; Y180-V202 HydrophobicContact CD2-CG1 3.95Å; Y180-V202 HydrophobicContact CE1-CB 3.75Å; Y180-V202 HydrophobicContact CE1-CG1 3.48Å; Y180-V202 VanDerWaalsContact CE1-CG1 3.48Å; Y180-V202 HydrophobicContact CE2-CG1 3.8Å; Y180-V202 HydrophobicContact CG-CB 4.44Å; Y180-V202 HydrophobicContact CG-CG1 3.85Å; W198-V202 PolarHBondContact O-N 3.06Å; C199-V202 PolarHBondContact O-N 3.05Å; V202-C204 PolarHBondContact O-N 3.36Å; V202-Y205 PolarHBondContact O-N 2.94Å; V202-E206 PolarHBondContact O-N 2.88Å; V202-P212 HydrophobicContact CG1-CB 4.46Å; V202-P213 HydrophobicContact CG1-CG 4.32Å; V202-F214 HydrophobicContact CG2-CE2 4.32Å; V202-L249 HydrophobicContact CG2-CD2 3.83Å
203L98.6Very high97.4Very high0 Ų014.5 Ų14.50%08%0.076CC..Hα-helixtrans-58.8-44.7177.8-178.166.5000112.2M103 I125 I142 P144 L147 Y180 C199 Y205 E206 C207M103-L203 HydrophobicContact CE-CD1 4.01Å; I125-L203 HydrophobicContact CD1-CD2 3.55Å; I142-L203 HydrophobicContact CG2-CD2 4.12Å; P144-L203 HydrophobicContact CG-CD1 3.75Å; L147-L203 HydrophobicContact CD1-CD1 4.11Å; L147-L203 HydrophobicContact CD1-CD2 3.66Å; Y180-L203 HydrophobicContact CE1-CB 4.17Å; C199-L203 WeakPolarHBondContact O-CB 3.38Å; C199-L203 PolarHBondContact O-N 3.33Å; L203-Y205 VanDerWaalsContact C-N 3.34Å; L203-Y205 PolarHBondContact O-N 2.73Å; L203-E206 PolarHBondContact O-N 3.25Å; L203-C207 WeakPolarHBondContact O-CB 3.25Å; L203-C207 PolarHBondContact O-N 3.4Å; L203-C207 PolarHBondContact O-SG 3.08Å
204C98.8Very high97.5Very high0 Ų011.1 Ų11.10%06%0.06CC..Hα-helixtrans-59.4-45.9178.3-171.70000111.4M122 I200 G201 V202 C207 L208 I245M122-C204 HydrophobicContact CE-CB 4.03Å; M122-C204 HydrophobicContact CG-CB 4.23Å; M122-C204 HydrophobicContact SD-CB 3.58Å; M122-C204 VanDerWaalsContact SD-CB 3.58Å; I200-C204 VanDerWaalsContact O-CB 3.31Å; I200-C204 WeakPolarHBondContact O-CB 3.3Å; I200-C204 PolarHBondContact O-N 3.35Å; G201-C204 PolarHBondContact O-N 3.2Å; V202-C204 PolarHBondContact O-N 3.36Å; C204-C207 PolarHBondContact O-N 2.92Å; C204-L208 WeakPolarHBondContact O-CG 3.26Å; C204-L208 PolarHBondContact O-N 3.28Å; C204-I245 HydrophobicContact CB-CD1 4.5Å; C204-I245 HydrophobicContact CB-CG1 3.97Å
205Y98.8Very high97.1Very high18 Ų1813.8 Ų13.87%0.0717%0.073CC..Hα-helixtrans-61.5-50.3175.2-177.1-76.6000111.1G201 V202 L203 C207 L208 V209 N211 P213 N232 F233 I237 I245G201-Y205 PolarHBondContact O-N 3.44Å; V202-Y205 PolarHBondContact O-N 2.94Å; L203-Y205 VanDerWaalsContact C-N 3.34Å; L203-Y205 PolarHBondContact O-N 2.73Å; Y205-C207 VanDerWaalsContact C-N 3.3Å; Y205-C207 PolarHBondContact O-N 3.12Å; Y205-L208 PolarHBondContact O-N 3.35Å; Y205-L208 VanDerWaalsContact O-N 3.08Å; Y205-V209 HydrophobicContact CD1-CB 4.07Å; Y205-V209 HydrophobicContact CD1-CG2 3.92Å; Y205-V209 HydrophobicContact CD2-CG2 4.43Å; Y205-V209 HydrophobicContact CE1-CB 3.68Å; Y205-V209 HydrophobicContact CE1-CG1 3.85Å; Y205-V209 HydrophobicContact CE1-CG2 3.56Å; Y205-V209 HydrophobicContact CE2-CG2 4.12Å; Y205-V209 HydrophobicContact CG-CG2 4.33Å; Y205-V209 WeakPolarHBondContact O-CB 3.48Å; Y205-V209 WeakPolarHBondContact O-CG2 3.44Å; Y205-V209 PolarHBondContact O-N 2.85Å; Y205-N211 WeakPolarHBondContact CD1-O 3.45Å; Y205-N211 WeakPolarHBondContact CE1-O 3.35Å; Y205-P213 HydrophobicContact CD1-CB 3.63Å; Y205-P213 HydrophobicContact CD1-CG 4.02Å; Y205-P213 HydrophobicContact CD2-CB 3.88Å; Y205-P213 HydrophobicContact CE1-CB 3.79Å; Y205-P213 HydrophobicContact CE2-CB 4.01Å; Y205-P213 HydrophobicContact CG-CB 3.69Å; Y205-P213 HydrophobicContact CG-CG 4.02Å; Y205-N232 PolarHBondContact OH-O 3.26Å; Y205-F233 HydrophobicContact CD2-CD1 4.32Å; Y205-F233 HydrophobicContact CD2-CE1 4.12Å; Y205-F233 HydrophobicContact CE2-CD1 4.22Å; Y205-F233 HydrophobicContact CE2-CE1 4.41Å; Y205-I237 HydrophobicContact CD2-CD1 4.02Å; Y205-I237 HydrophobicContact CE2-CD1 3.95Å; Y205-I245 HydrophobicContact CD2-CD1 4.41Å
206E98.2Very high96.9Very high10 Ų1015.8 Ų15.85%0.0479%0.086CC..Hα-helixtrans-61.9-37.8-178.2-176177.4165.700111.8L107 Y180 V202 L203 L208 V209 G210L107-E206 HydrophobicContact CD2-CG 3.83Å; Y180-E206 WeakPolarHBondContact CE2-OE2 3.41Å; Y180-E206 PolarHBondContact OH-OE2 2.92Å; V202-E206 PolarHBondContact O-N 2.88Å; L203-E206 PolarHBondContact O-N 3.25Å; E206-L208 VanDerWaalsContact C-N 3.31Å; E206-L208 PolarHBondContact O-N 3.5Å; E206-V209 PolarHBondContact O-N 3.3Å; E206-G210 VanDerWaalsContact O-CA 3.23Å; E206-G210 WeakPolarHBondContact O-CA 3.23Å; E206-G210 PolarHBondContact O-N 2.9Å
207C98.6Very high96.3Very high2 Ų221.5 Ų21.51%0.01413%0.132CC..Hα-helixtrans-58.8-43.1173.8-70.90000111.8M103 R112 F113 T118 L203 C204 Y205M103-C207 WeakPolarHBondContact CE-SG 3.3Å; R112-C207 CarbonylContact C-O 3.36Å; F113-C207 HydrophobicContact CD2-CB 4.01Å; F113-C207 PolarHBondContact N-O 3.38Å; T118-C207 HydrophobicContact CG2-CB 3.6Å; L203-C207 WeakPolarHBondContact O-CB 3.25Å; L203-C207 PolarHBondContact O-N 3.4Å; L203-C207 PolarHBondContact O-SG 3.08Å; C204-C207 PolarHBondContact O-N 2.92Å; Y205-C207 VanDerWaalsContact C-N 3.3Å; Y205-C207 PolarHBondContact O-N 3.12Å
208L98.6Very high95.8Very high5 Ų524.1 Ų24.13%0.02615%0.151CC..Hα-helixtrans-82.7-20.7-175.7-66.3168.9000113.8R112 D115 T118 C204 Y205 E206 I237 A241 I245 W267R112-L208 WeakPolarHBondContact CD-O 3.22Å; D115-L208 WeakPolarHBondContact OD1-CD2 3.48Å; T118-L208 HydrophobicContact CG2-CD1 4.34Å; T118-L208 HydrophobicContact CG2-CD2 4.16Å; T118-L208 HydrophobicContact CG2-CG 3.93Å; T118-L208 VanDerWaalsContact OG1-CD2 3.3Å; T118-L208 WeakPolarHBondContact OG1-CD2 3.32Å; C204-L208 WeakPolarHBondContact O-CG 3.26Å; C204-L208 PolarHBondContact O-N 3.28Å; Y205-L208 PolarHBondContact O-N 3.35Å; Y205-L208 VanDerWaalsContact O-N 3.08Å; E206-L208 VanDerWaalsContact C-N 3.31Å; E206-L208 PolarHBondContact O-N 3.5Å; L208-I237 HydrophobicContact CB-CG1 4.27Å; L208-A241 HydrophobicContact CD1-CB 3.61Å; L208-I245 HydrophobicContact CD1-CD1 4.25Å; L208-W267 HydrophobicContact CD1-CH2 4.21Å; L208-W267 HydrophobicContact CD1-CZ2 4.19Å; L208-W267 HydrophobicContact CD2-CZ2 4.4Å
209V97.8Very high95.2Very high36 Ų3630.1 Ų30.122%0.21818%0.179CC..Hα-helixtrans-110.7-29.7-174.5-179.30000112.8Y205 E206 P234 I237Y205-V209 HydrophobicContact CD1-CB 4.07Å; Y205-V209 HydrophobicContact CD1-CG2 3.92Å; Y205-V209 HydrophobicContact CD2-CG2 4.43Å; Y205-V209 HydrophobicContact CE1-CB 3.68Å; Y205-V209 HydrophobicContact CE1-CG1 3.85Å; Y205-V209 HydrophobicContact CE1-CG2 3.56Å; Y205-V209 HydrophobicContact CE2-CG2 4.12Å; Y205-V209 HydrophobicContact CG-CG2 4.33Å; Y205-V209 WeakPolarHBondContact O-CB 3.48Å; Y205-V209 WeakPolarHBondContact O-CG2 3.44Å; Y205-V209 PolarHBondContact O-N 2.85Å; E206-V209 PolarHBondContact O-N 3.3Å; V209-P234 HydrophobicContact CG1-CG 4.21Å; V209-P234 HydrophobicContact CG2-CG 3.7Å; V209-I237 HydrophobicContact CG2-CD1 3.55Å; V209-I237 HydrophobicContact CG2-CG1 4.09Å
210G95.6Very high94.8Very high5 Ų533 Ų335%0.05220%0.199CC..SBendtrans94.6-11.3-174.700000115G111 E206G111-G210 WeakPolarHBondContact O-CA 3.48Å; E206-G210 VanDerWaalsContact O-CA 3.23Å; E206-G210 WeakPolarHBondContact O-CA 3.23Å; E206-G210 PolarHBondContact O-N 2.9Å
211N93.1Very high94.5Very high87 Ų8736.8 Ų36.847%0.46522%0.217SC..SBendtrans-141.3154178.4-54.2-79.8000110.2Y205Y205-N211 WeakPolarHBondContact CD1-O 3.45Å; Y205-N211 WeakPolarHBondContact CE1-O 3.35Å
212P95.4Very high94.2Very high19 Ų1936.8 Ų36.812%0.12322%0.217CC..  trans-60.4151.5177.7-20.430.4000113.4D179 V202 F214 E215D179-P212 HydrophobicContact CB-CB 3.73Å; D179-P212 HydrophobicContact CB-CG 3.83Å; V202-P212 HydrophobicContact CG1-CB 4.46Å; P212-F214 VanDerWaalsContact C-N 3.32Å; P212-F214 PolarHBondContact O-N 2.94Å; P212-E215 HydrophobicContact CB-CB 4.22Å; P212-E215 HydrophobicContact CG-CB 4.42Å
213P97.3Very high93.9Very high3 Ų340.5 Ų40.52%0.01923%0.232CC..THydrogen-bonded Turntrans-66.6-29.2-175.422.3-29.5000114.7V202 Y205 R225 L231 L249V202-P213 HydrophobicContact CG1-CG 4.32Å; Y205-P213 HydrophobicContact CD1-CB 3.63Å; Y205-P213 HydrophobicContact CD1-CG 4.02Å; Y205-P213 HydrophobicContact CD2-CB 3.88Å; Y205-P213 HydrophobicContact CE1-CB 3.79Å; Y205-P213 HydrophobicContact CE2-CB 4.01Å; Y205-P213 HydrophobicContact CG-CB 3.69Å; Y205-P213 HydrophobicContact CG-CG 4.02Å; P213-R225 PolarHBondContact O-NH1 2.67Å; P213-R225 PolarHBondContact O-NH2 3.3Å; P213-L231 HydrophobicContact CB-CD2 3.67Å; P213-L231 HydrophobicContact CG-CD2 4.32Å; P213-L249 HydrophobicContact CG-CD1 4.27Å
214F96.6Very high93.8Very high0 Ų045 Ų450%025%0.251CS..THydrogen-bonded Turntrans-107.6-2.6-172.2-50.1-64.4000113.7W198 V202 P212 T216 T222 R225 I226 L231 L249W198-F214 AromaticContact CH2-CE2 3.83Å; W198-F214 HydrophobicContact CH2-CE2 3.83Å; W198-F214 AromaticContact CH2-CZ 3.78Å; W198-F214 HydrophobicContact CH2-CZ 3.78Å; W198-F214 HydrophobicContact CZ2-CD2 4.15Å; W198-F214 AromaticContact CZ2-CE2 3.32Å; W198-F214 HydrophobicContact CZ2-CE2 3.32Å; W198-F214 AromaticContact CZ2-CZ 3.78Å; W198-F214 HydrophobicContact CZ2-CZ 3.78Å; V202-F214 HydrophobicContact CG2-CE2 4.32Å; P212-F214 VanDerWaalsContact C-N 3.32Å; P212-F214 PolarHBondContact O-N 2.94Å; F214-T216 PolarHBondContact O-N 3.27Å; F214-T222 HydrophobicContact CB-CG2 4.27Å; F214-T222 WeakPolarHBondContact O-CG2 3.09Å; F214-R225 HydrophobicContact CB-CB 4.25Å; F214-R225 HydrophobicContact CD1-CB 4.17Å; F214-R225 PolarHBondContact O-NH1 3.42Å; F214-I226 HydrophobicContact CB-CD1 4.46Å; F214-I226 HydrophobicContact CB-CG1 3.69Å; F214-I226 HydrophobicContact CD1-CG1 4.5Å; F214-I226 HydrophobicContact CD2-CG1 3.66Å; F214-I226 HydrophobicContact CE2-CG1 4.44Å; F214-I226 HydrophobicContact CG-CG1 3.7Å; F214-L231 HydrophobicContact CD1-CD2 4.48Å; F214-L231 HydrophobicContact CE1-CD2 3.5Å; F214-L231 VanDerWaalsContact CE1-CD2 3.5Å; F214-L231 HydrophobicContact CE1-CG 3.93Å; F214-L231 HydrophobicContact CE2-CD2 4.41Å; F214-L231 HydrophobicContact CZ-CD2 3.46Å; F214-L231 VanDerWaalsContact CZ-CD2 3.46Å; F214-L231 HydrophobicContact CZ-CG 4.06Å; F214-L249 HydrophobicContact CE2-CD1 4.3Å; F214-L249 HydrophobicContact CZ-CD1 4.16Å
215E88.9Confident93.7Very high95 Ų9546.5 Ų46.544%0.44426%0.257SS..  trans-58.1136-176.7-174.5-179.7-151.500110.7P212 R225P212-E215 HydrophobicContact CB-CB 4.22Å; P212-E215 HydrophobicContact CG-CB 4.42Å; E215-R225 PolarHBondContact O-NH1 3.04Å
216T90.1Very high93.6Very high44 Ų4445.7 Ų45.727%0.2725%0.253SS..  trans-147.5168.9173.870.40000109.4F214 S218 E221 T222F214-T216 PolarHBondContact O-N 3.27Å; T216-S218 PolarHBondContact O-N 3.26Å; T216-S218 PolarHBondContact OG1-N 2.69Å; T216-S218 PolarHBondContact OG1-O 2.92Å; T216-E221 HydrophobicContact CG2-CG 4.23Å; T216-T222 PolarHBondContact N-OG1 3.34Å; T216-T222 PolarHBondContact OG1-N 3.48Å; T216-T222 PolarHBondContact OG1-OG1 3.41Å
217A84.8Confident93.6Very high119 Ų11947 Ų4798%0.98326%0.262SS*.SBendtrans-66.3-13.4175.700000114.4
218S87.6Confident93.5Very high59 Ų5954.5 Ų54.541%0.41329%0.294SS..  trans-124.1122.9-176.6173.80000111.3T216 S220 E221 T222T216-S218 PolarHBondContact O-N 3.26Å; T216-S218 PolarHBondContact OG1-N 2.69Å; T216-S218 PolarHBondContact OG1-O 2.92Å; S218-S220 PolarHBondContact O-N 3.19Å; S218-S220 VanDerWaalsContact O-N 3.17Å; S218-S220 PolarHBondContact OG-N 2.87Å; S218-E221 PolarHBondContact O-N 3.43Å; S218-T222 PolarHBondContact O-N 3.16Å; S218-T222 PolarHBondContact O-OG1 3.4Å
219H85.8Confident93.5Very high127 Ų12755.8 Ų55.859%0.58830%0.302SS*.Hα-helixtrans-53.7-38.7176-67.6178.5000112.9L178 E221 T222 Y223L178-H219 HydrophobicContact CD1-CB 3.76Å; L178-H219 VanDerWaalsContact CD1-CG 3.5Å; H219-E221 VanDerWaalsContact C-N 3.29Å; H219-E221 PolarHBondContact O-N 3.44Å; H219-T222 PolarHBondContact O-N 3.2Å; H219-Y223 VanDerWaalsContact O-CG 3.27Å; H219-Y223 PolarHBondContact O-N 2.86Å
220S89.6Confident93.5Very high65 Ų6557.1 Ų57.146%0.45531%0.308SS..Hα-helixtrans-64.7-36.4177.71780000111.8S218 K224S218-S220 PolarHBondContact O-N 3.19Å; S218-S220 VanDerWaalsContact O-N 3.17Å; S218-S220 PolarHBondContact OG-N 2.87Å; S220-K224 WeakPolarHBondContact O-CG 3.31Å; S220-K224 PolarHBondContact O-N 2.47Å
221E93.4Very high93.5Very high78 Ų7858.5 Ų58.536%0.36432%0.315SS..Hα-helixtrans-75.1-41.1178.8-165.456-144.200111.2T216 S218 H219 Y223 K224 R225T216-E221 HydrophobicContact CG2-CG 4.23Å; S218-E221 PolarHBondContact O-N 3.43Å; H219-E221 VanDerWaalsContact C-N 3.29Å; H219-E221 PolarHBondContact O-N 3.44Å; E221-Y223 VanDerWaalsContact C-N 3.3Å; E221-Y223 PolarHBondContact O-N 3.34Å; E221-K224 WeakPolarHBondContact O-CB 3.44Å; E221-K224 PolarHBondContact O-N 3.09Å; E221-K224 VanDerWaalsContact O-N 3.1Å; E221-K224 WeakPolarHBondContact OE2-CD 3.41Å; E221-K224 IonicContact OE2-NZ 3.61Å; E221-K224 PolarHBondContact OE2-NZ 3.02Å; E221-R225 WeakPolarHBondContact O-CG 3.37Å; E221-R225 PolarHBondContact O-N 3.47Å
222T92.1Very high93.6Very high0 Ų059 Ų590%032%0.317CS..Hα-helixtrans-55.9-44.3171.5-560000111.5L178 F214 T216 S218 H219 K224 R225 I226L178-T222 HydrophobicContact CD2-CG2 3.36Å; L178-T222 HydrophobicContact CG-CG2 4.48Å; F214-T222 HydrophobicContact CB-CG2 4.27Å; F214-T222 WeakPolarHBondContact O-CG2 3.09Å; T216-T222 PolarHBondContact N-OG1 3.34Å; T216-T222 PolarHBondContact OG1-N 3.48Å; T216-T222 PolarHBondContact OG1-OG1 3.41Å; S218-T222 PolarHBondContact O-N 3.16Å; S218-T222 PolarHBondContact O-OG1 3.4Å; H219-T222 PolarHBondContact O-N 3.2Å; T222-K224 PolarHBondContact O-N 3.07Å; T222-R225 PolarHBondContact O-N 2.96Å; T222-I226 HydrophobicContact CG2-CD1 3.84Å; T222-I226 HydrophobicContact CG2-CG1 4.42Å; T222-I226 VanDerWaalsContact O-CG1 3.31Å; T222-I226 WeakPolarHBondContact O-CG1 2.97Å; T222-I226 PolarHBondContact O-N 2.82Å
223Y92.8Very high93.7Very high79 Ų7960 Ų6031%0.3132%0.32SS..Hα-helixtrans-61.2-40.2175.3-68.7-17.2000113.5L178 L181 I186 H219 E221 I226 T227L178-Y223 HydrophobicContact CD1-CD1 4.43Å; L178-Y223 HydrophobicContact CD1-CE1 3.56Å; L178-Y223 HydrophobicContact CG-CD1 4.47Å; L178-Y223 HydrophobicContact CG-CE1 3.79Å; L181-Y223 HydrophobicContact CD1-CE1 4.18Å; I186-Y223 HydrophobicContact CD1-CD1 3.7Å; I186-Y223 HydrophobicContact CD1-CE1 4.35Å; I186-Y223 HydrophobicContact CD1-CG 4.32Å; I186-Y223 HydrophobicContact CG1-CD1 4.22Å; I186-Y223 HydrophobicContact CG2-CD1 4.37Å; I186-Y223 HydrophobicContact CG2-CG 4.1Å; H219-Y223 VanDerWaalsContact O-CG 3.27Å; H219-Y223 PolarHBondContact O-N 2.86Å; E221-Y223 VanDerWaalsContact C-N 3.3Å; E221-Y223 PolarHBondContact O-N 3.34Å; Y223-I226 PolarHBondContact O-N 2.94Å; Y223-T227 WeakPolarHBondContact O-CG2 3.37Å; Y223-T227 PolarHBondContact O-N 2.83Å; Y223-T227 PolarHBondContact O-OG1 3.16Å
224K95.9Very high93.6Very high93 Ų9362.1 Ų62.140%0.40433%0.333SS..Hα-helixtrans-65.3-41.5175.1-69.9175.5-155.3156.90111.5S220 E221 T222 T227 K228S220-K224 WeakPolarHBondContact O-CG 3.31Å; S220-K224 PolarHBondContact O-N 2.47Å; E221-K224 WeakPolarHBondContact O-CB 3.44Å; E221-K224 PolarHBondContact O-N 3.09Å; E221-K224 VanDerWaalsContact O-N 3.1Å; E221-K224 WeakPolarHBondContact OE2-CD 3.41Å; E221-K224 IonicContact OE2-NZ 3.61Å; E221-K224 PolarHBondContact OE2-NZ 3.02Å; T222-K224 PolarHBondContact O-N 3.07Å; K224-T227 WeakPolarHBondContact CA-OG1 3.12Å; K224-T227 PolarHBondContact O-N 3.04Å; K224-T227 PolarHBondContact O-OG1 3.43Å; K224-T227 VanDerWaalsContact O-OG1 3.12Å; K224-K228 WeakPolarHBondContact O-CB 3.49Å; K224-K228 WeakPolarHBondContact O-CG 2.96Å; K224-K228 PolarHBondContact O-N 3.28Å
225R97.5Very high93.4Very high33 Ų3372.3 Ų72.313%0.12538%0.378CS..Hα-helixtrans-65.3-40.4178.3-69.1-171.871.5-140.4-12.9111.5P213 F214 E215 E221 T222 V229 D230P213-R225 PolarHBondContact O-NH1 2.67Å; P213-R225 PolarHBondContact O-NH2 3.3Å; F214-R225 HydrophobicContact CB-CB 4.25Å; F214-R225 HydrophobicContact CD1-CB 4.17Å; F214-R225 PolarHBondContact O-NH1 3.42Å; E215-R225 PolarHBondContact O-NH1 3.04Å; E221-R225 WeakPolarHBondContact O-CG 3.37Å; E221-R225 PolarHBondContact O-N 3.47Å; T222-R225 PolarHBondContact O-N 2.96Å; R225-V229 WeakPolarHBondContact O-CA 3.41Å; R225-V229 PolarHBondContact O-N 3.25Å; R225-D230 HydrophobicContact CB-CB 4.12Å; R225-D230 HydrophobicContact CG-CB 4.22Å; R225-D230 IonicContact CZ-OD2 2.85Å; R225-D230 IonicContact NE-OD2 2.91Å; R225-D230 PolarHBondContact NE-OD2 3.16Å; R225-D230 PolarHBondContact NH2-O 3.48Å; R225-D230 IonicContact NH2-OD2 2.82Å; R225-D230 PolarHBondContact O-N 2.71Å
226I97.1Very high93.6Very high0 Ų070.7 Ų70.70%037%0.374CS..Hα-helixtrans-62.2-52.7174.2-68.8165.6000110.9L181 P183 I186 W198 F214 T222 Y223 K228 V229L181-I226 WeakPolarHBondContact O-CG2 3.5Å; P183-I226 HydrophobicContact CG-CG2 3.96Å; I186-I226 HydrophobicContact CD1-CB 3.69Å; I186-I226 HydrophobicContact CD1-CD1 3.69Å; I186-I226 HydrophobicContact CD1-CG1 4.28Å; I186-I226 HydrophobicContact CD1-CG2 3.4Å; I186-I226 VanDerWaalsContact CD1-CG2 3.4Å; W198-I226 HydrophobicContact CH2-CG2 4.35Å; W198-I226 HydrophobicContact CZ2-CG2 3.81Å; F214-I226 HydrophobicContact CB-CD1 4.46Å; F214-I226 HydrophobicContact CB-CG1 3.69Å; F214-I226 HydrophobicContact CD1-CG1 4.5Å; F214-I226 HydrophobicContact CD2-CG1 3.66Å; F214-I226 HydrophobicContact CE2-CG1 4.44Å; F214-I226 HydrophobicContact CG-CG1 3.7Å; T222-I226 HydrophobicContact CG2-CD1 3.84Å; T222-I226 HydrophobicContact CG2-CG1 4.42Å; T222-I226 VanDerWaalsContact O-CG1 3.31Å; T222-I226 WeakPolarHBondContact O-CG1 2.97Å; T222-I226 PolarHBondContact O-N 2.82Å; Y223-I226 PolarHBondContact O-N 2.94Å; I226-K228 VanDerWaalsContact C-N 3.28Å; I226-K228 PolarHBondContact O-N 2.85Å; I226-V229 PolarHBondContact O-N 2.85Å
227T96.3Very high93.9Very high37 Ų3768.9 Ų68.923%0.22736%0.363CS..Hα-helixtrans-66.9-27.1-17750.10000113.1I186 E187 Y223 K224 H251I186-T227 HydrophobicContact CB-CG2 4.21Å; I186-T227 HydrophobicContact CG2-CG2 3.87Å; E187-T227 HydrophobicContact CG-CG2 3.99Å; Y223-T227 WeakPolarHBondContact O-CG2 3.37Å; Y223-T227 PolarHBondContact O-N 2.83Å; Y223-T227 PolarHBondContact O-OG1 3.16Å; K224-T227 WeakPolarHBondContact CA-OG1 3.12Å; K224-T227 PolarHBondContact O-N 3.04Å; K224-T227 PolarHBondContact O-OG1 3.43Å; K224-T227 VanDerWaalsContact O-OG1 3.12Å; T227-H251 PolarHBondContact O-CD2 3.03Å; T227-H251 PolarHBondContact O-NE2 2.98Å
228K97.7Very high94.5Very high160 Ų16065 Ų6570%0.69633%0.329SS*.Hα-helixtrans-87.2-8.4171.5-67.9179.2179.1-178.90114K224 I226 D230K224-K228 WeakPolarHBondContact O-CB 3.49Å; K224-K228 WeakPolarHBondContact O-CG 2.96Å; K224-K228 PolarHBondContact O-N 3.28Å; I226-K228 VanDerWaalsContact C-N 3.28Å; I226-K228 PolarHBondContact O-N 2.85Å; K228-D230 PolarHBondContact O-N 3.39Å
229V97.8Very high95Very high32 Ų3268.6 Ų68.619%0.19434%0.343CS..THydrogen-bonded Turntrans50.548.7-170.1-164.90000110.8W198 R225 I226 L231 L249 H251W198-V229 HydrophobicContact CH2-CG1 4.4Å; W198-V229 HydrophobicContact CH2-CG2 4.19Å; W198-V229 HydrophobicContact CZ3-CG2 4.26Å; R225-V229 WeakPolarHBondContact O-CA 3.41Å; R225-V229 PolarHBondContact O-N 3.25Å; I226-V229 PolarHBondContact O-N 2.85Å; V229-L231 VanDerWaalsContact C-N 3.3Å; V229-L231 HydrophobicContact CG1-CD1 3.9Å; V229-L231 HydrophobicContact CG1-CG 4.1Å; V229-L231 PolarHBondContact O-N 3.15Å; V229-L249 HydrophobicContact CG1-CB 4.47Å; V229-L249 WeakPolarHBondContact CG1-O 3.39Å; V229-H251 HydrophobicContact CG2-CB 3.7Å
230D97.8Very high95.6Very high64 Ų6463.8 Ų63.834%0.34233%0.328SS..  trans-75.579.1-178.8175.238.7000111.1R225 K228R225-D230 HydrophobicContact CB-CB 4.12Å; R225-D230 HydrophobicContact CG-CB 4.22Å; R225-D230 IonicContact CZ-OD2 2.85Å; R225-D230 IonicContact NE-OD2 2.91Å; R225-D230 PolarHBondContact NE-OD2 3.16Å; R225-D230 PolarHBondContact NH2-O 3.48Å; R225-D230 IonicContact NH2-OD2 2.82Å; R225-D230 PolarHBondContact O-N 2.71Å; K228-D230 PolarHBondContact O-N 3.39Å
231L95.9Very high96Very high35 Ų3560.7 Ų60.718%0.18331%0.306CS..  trans-91.6122.7-178.2-71.4173.8000112.2P213 F214 V229 F233 L249P213-L231 HydrophobicContact CB-CD2 3.67Å; P213-L231 HydrophobicContact CG-CD2 4.32Å; F214-L231 HydrophobicContact CD1-CD2 4.48Å; F214-L231 HydrophobicContact CE1-CD2 3.5Å; F214-L231 VanDerWaalsContact CE1-CD2 3.5Å; F214-L231 HydrophobicContact CE1-CG 3.93Å; F214-L231 HydrophobicContact CE2-CD2 4.41Å; F214-L231 HydrophobicContact CZ-CD2 3.46Å; F214-L231 VanDerWaalsContact CZ-CD2 3.46Å; F214-L231 HydrophobicContact CZ-CG 4.06Å; V229-L231 VanDerWaalsContact C-N 3.3Å; V229-L231 HydrophobicContact CG1-CD1 3.9Å; V229-L231 HydrophobicContact CG1-CG 4.1Å; V229-L231 PolarHBondContact O-N 3.15Å; L231-F233 HydrophobicContact CB-CE2 3.98Å; L231-F233 HydrophobicContact CB-CZ 4.46Å; L231-F233 HydrophobicContact CD1-CE2 4.4Å; L231-F233 HydrophobicContact CD1-CZ 4.29Å; L231-L249 HydrophobicContact CD1-CB 3.83Å; L231-L249 HydrophobicContact CD1-CD1 4.03Å; L231-L249 HydrophobicContact CD2-CD1 3.63Å; L231-L249 HydrophobicContact CG-CD1 4.44Å
232N95.8Very high96.3Very high96 Ų9661.3 Ų61.351%0.51331%0.305SS..  trans-117.5115174.8-68.5-56000109.6Y205 P234Y205-N232 PolarHBondContact OH-O 3.26Å; N232-P234 WeakPolarHBondContact O-CD 3.32Å
233F96.7Very high96.6Very high41 Ų4164.4 Ų64.418%0.1832%0.321CS..  trans-94.6116.3-177.4-69.6-85000111.4Y205 L231 I237 R242 I245Y205-F233 HydrophobicContact CD2-CD1 4.32Å; Y205-F233 HydrophobicContact CD2-CE1 4.12Å; Y205-F233 HydrophobicContact CE2-CD1 4.22Å; Y205-F233 HydrophobicContact CE2-CE1 4.41Å; L231-F233 HydrophobicContact CB-CE2 3.98Å; L231-F233 HydrophobicContact CB-CZ 4.46Å; L231-F233 HydrophobicContact CD1-CE2 4.4Å; L231-F233 HydrophobicContact CD1-CZ 4.29Å; F233-I237 HydrophobicContact CD1-CB 4.44Å; F233-I237 HydrophobicContact CD1-CD1 3.61Å; F233-I237 HydrophobicContact CD1-CG2 4.08Å; F233-I237 HydrophobicContact CE1-CD1 4.33Å; F233-R242 HydrophobicContact CD1-CB 4.28Å; F233-R242 HydrophobicContact CD1-CG 3.92Å; F233-R242 HydrophobicContact CD2-CG 3.81Å; F233-R242 HydrophobicContact CE1-CB 4.33Å; F233-R242 HydrophobicContact CE1-CG 3.97Å; F233-R242 HydrophobicContact CE2-CG 3.83Å; F233-R242 HydrophobicContact CG-CG 3.85Å; F233-R242 HydrophobicContact CZ-CG 3.92Å; F233-I245 HydrophobicContact CE1-CB 3.93Å; F233-I245 HydrophobicContact CE1-CD1 3.99Å; F233-I245 HydrophobicContact CE1-CG2 3.75Å; F233-I245 HydrophobicContact CZ-CB 4.11Å; F233-I245 HydrophobicContact CZ-CG2 3.76Å
234P95.1Very high96.9Very high47 Ų4760.6 Ų60.631%0.30531%0.307SS..  trans-64.8156170.326.5-34.8000111.4V209 N232 V236 I237V209-P234 HydrophobicContact CG1-CG 4.21Å; V209-P234 HydrophobicContact CG2-CG 3.7Å; N232-P234 WeakPolarHBondContact O-CD 3.32Å; P234-V236 HydrophobicContact CB-CG1 4.07Å; P234-V236 HydrophobicContact CG-CG1 3.83Å; P234-V236 PolarHBondContact O-N 2.74Å; P234-I237 HydrophobicContact CG-CD1 4.14Å; P234-I237 HydrophobicContact CG-CG1 4.27Å; P234-I237 PolarHBondContact O-N 3.32Å; P234-I237 VanDerWaalsContact O-N 3.08Å
235K93.5Very high97Very high215 Ų21556.2 Ų56.294%0.93529%0.287SS*.THydrogen-bonded Turntrans-59.9-16.6-178.1-66.6-174.5179.4-1790114.7I237K235-I237 VanDerWaalsContact C-N 3.28Å
236V92.8Very high97.1Very high60 Ų6056.5 Ų56.536%0.36429%0.294SS..THydrogen-bonded Turntrans-66.1-31175.9610000112.3P234 S238P234-V236 HydrophobicContact CB-CG1 4.07Å; P234-V236 HydrophobicContact CG-CG1 3.83Å; P234-V236 PolarHBondContact O-N 2.74Å; V236-S238 PolarHBondContact O-N 3.45Å
237I96Very high97.2Very high7 Ų760.3 Ų60.34%0.03631%0.311CS..SBendtrans-76.3122.4-174.5-63.7179.2000109.3Y205 L208 V209 F233 P234 K235 A241 R242Y205-I237 HydrophobicContact CD2-CD1 4.02Å; Y205-I237 HydrophobicContact CE2-CD1 3.95Å; L208-I237 HydrophobicContact CB-CG1 4.27Å; V209-I237 HydrophobicContact CG2-CD1 3.55Å; V209-I237 HydrophobicContact CG2-CG1 4.09Å; F233-I237 HydrophobicContact CD1-CB 4.44Å; F233-I237 HydrophobicContact CD1-CD1 3.61Å; F233-I237 HydrophobicContact CD1-CG2 4.08Å; F233-I237 HydrophobicContact CE1-CD1 4.33Å; P234-I237 HydrophobicContact CG-CD1 4.14Å; P234-I237 HydrophobicContact CG-CG1 4.27Å; P234-I237 PolarHBondContact O-N 3.32Å; P234-I237 VanDerWaalsContact O-N 3.08Å; K235-I237 VanDerWaalsContact C-N 3.28Å; I237-A241 HydrophobicContact CG2-CB 3.72Å; I237-R242 HydrophobicContact CG2-CB 4.11Å
238S97.4Very high97.3Very high38 Ų3858.5 Ų58.527%0.26630%0.3SS..  trans-65.3154.6174.963.90000111.8D115 V236 G240 A241 R242 W267D115-S238 WeakPolarHBondContact OD2-CB 3.33Å; D115-S238 PolarHBondContact OD2-OG 3.12Å; V236-S238 PolarHBondContact O-N 3.45Å; S238-G240 PolarHBondContact O-N 3Å; S238-A241 PolarHBondContact O-N 3.01Å; S238-A241 VanDerWaalsContact O-N 3.12Å; S238-R242 PolarHBondContact O-N 3.37Å; S238-W267 PolarHBondContact OG-NE1 3.3Å
239D98.1Very high97.3Very high133 Ų13351.1 Ų51.171%0.71127%0.268SS*.Hα-helixtrans-60.4-35.5-177.9-66.8-30.2000112.4R242 D243D239-R242 PolarHBondContact O-N 3.18Å; D239-D243 WeakPolarHBondContact O-CB 3.41Å; D239-D243 PolarHBondContact O-N 3.34Å
240G98.4Very high97.4Very high26 Ų2655.2 Ų55.227%0.26828%0.28SS..Hα-helixtrans-66.1-39.3175.900000113.4S238 L244 H265S238-G240 PolarHBondContact O-N 3Å; G240-L244 PolarHBondContact O-N 3.29Å; G240-L244 VanDerWaalsContact O-N 3.16Å; G240-H265 PolarHBondContact O-CE1 2.91Å
241A98.6Very high97.4Very high0 Ų055.8 Ų55.80%028%0.28CS..Hα-helixtrans-68.4-42.9174.300000111.3L208 I237 S238 D243 L244 I245 W267L208-A241 HydrophobicContact CD1-CB 3.61Å; I237-A241 HydrophobicContact CG2-CB 3.72Å; S238-A241 PolarHBondContact O-N 3.01Å; S238-A241 VanDerWaalsContact O-N 3.12Å; A241-D243 VanDerWaalsContact C-N 3.31Å; A241-D243 PolarHBondContact O-N 2.74Å; A241-L244 PolarHBondContact O-N 3.33Å; A241-I245 VanDerWaalsContact O-CG1 3.3Å; A241-I245 WeakPolarHBondContact O-CG1 3.32Å; A241-I245 PolarHBondContact O-N 3.41Å; A241-W267 HydrophobicContact CB-CD2 4.11Å; A241-W267 HydrophobicContact CB-CH2 4.31Å; A241-W267 HydrophobicContact CB-CZ2 3.69Å
242R98.6Very high97.5Very high92 Ų9257.2 Ų57.235%0.34729%0.288SS..Hα-helixtrans-57.1-44.8175.3-176.4-173.5-59.5-134.7-2.4111.5F233 I237 S238 D239 S246F233-R242 HydrophobicContact CD1-CB 4.28Å; F233-R242 HydrophobicContact CD1-CG 3.92Å; F233-R242 HydrophobicContact CD2-CG 3.81Å; F233-R242 HydrophobicContact CE1-CB 4.33Å; F233-R242 HydrophobicContact CE1-CG 3.97Å; F233-R242 HydrophobicContact CE2-CG 3.83Å; F233-R242 HydrophobicContact CG-CG 3.85Å; F233-R242 HydrophobicContact CZ-CG 3.92Å; I237-R242 HydrophobicContact CG2-CB 4.11Å; S238-R242 PolarHBondContact O-N 3.37Å; D239-R242 PolarHBondContact O-N 3.18Å; R242-S246 VanDerWaalsContact O-CB 3.25Å; R242-S246 WeakPolarHBondContact O-CB 3.47Å; R242-S246 PolarHBondContact O-N 3.08Å; R242-S246 PolarHBondContact O-OG 3.01Å
243D98.8Very high97.6Very high64 Ų6454.2 Ų54.234%0.34227%0.274SS..Hα-helixtrans-61.1-47.5177.3-178.952.9000111.7D239 A241 S246 K247 H265D239-D243 WeakPolarHBondContact O-CB 3.41Å; D239-D243 PolarHBondContact O-N 3.34Å; A241-D243 VanDerWaalsContact C-N 3.31Å; A241-D243 PolarHBondContact O-N 2.74Å; D243-S246 PolarHBondContact O-N 3.26Å; D243-K247 VanDerWaalsContact CG-NZ 3.25Å; D243-K247 VanDerWaalsContact O-CG 3.31Å; D243-K247 WeakPolarHBondContact O-CG 3.23Å; D243-K247 PolarHBondContact O-N 3.12Å; D243-K247 WeakPolarHBondContact OD1-CE 3.37Å; D243-K247 IonicContact OD1-NZ 2.83Å; D243-K247 PolarHBondContact OD1-NZ 3.02Å; D243-K247 VanDerWaalsContact OD1-NZ 3.09Å; D243-K247 IonicContact OD2-NZ 3.69Å; D243-K247 PolarHBondContact OD2-NZ 3.14Å; D243-H265 IonicContact OD2-CE1 3.93Å; D243-H265 PolarHBondContact OD2-CE1 3.08Å; D243-H265 IonicContact OD2-NE2 2.71Å; D243-H265 PolarHBondContact OD2-NE2 3.31Å
244L98.9Very high97.6Very high0 Ų058.5 Ų58.50%030%0.297CS..Hα-helixtrans-59.5-51.4176.4176.761000112G240 A241 S246 K247 L248 L257 V262 H265 W267 V268G240-L244 PolarHBondContact O-N 3.29Å; G240-L244 VanDerWaalsContact O-N 3.16Å; A241-L244 PolarHBondContact O-N 3.33Å; L244-S246 VanDerWaalsContact C-N 3.31Å; L244-S246 PolarHBondContact O-N 2.94Å; L244-K247 PolarHBondContact O-N 3.37Å; L244-L248 HydrophobicContact CD1-CD1 3.95Å; L244-L248 HydrophobicContact CD1-CG 4.4Å; L244-L248 HydrophobicContact CG-CD1 4.06Å; L244-L248 PolarHBondContact O-N 3.21Å; L244-L248 VanDerWaalsContact O-N 3.09Å; L244-L257 HydrophobicContact CD1-CD2 3.69Å; L244-V262 HydrophobicContact CD1-CB 4.49Å; L244-V262 HydrophobicContact CD1-CG1 4.1Å; L244-V262 HydrophobicContact CD1-CG2 4.31Å; L244-V262 HydrophobicContact CD2-CG1 4.49Å; L244-H265 HydrophobicContact CD1-CB 4.2Å; L244-W267 HydrophobicContact CD2-CE3 3.7Å; L244-W267 HydrophobicContact CD2-CZ3 3.85Å; L244-V268 HydrophobicContact CD2-CG2 3.75Å
245I98.9Very high97.7Very high0 Ų060.4 Ų60.40%031%0.305CS..Hα-helixtrans-59.6-44.6-179.1-67.6163.7000110.2C204 Y205 L208 F233 A241 K247 L248 L249C204-I245 HydrophobicContact CB-CD1 4.5Å; C204-I245 HydrophobicContact CB-CG1 3.97Å; Y205-I245 HydrophobicContact CD2-CD1 4.41Å; L208-I245 HydrophobicContact CD1-CD1 4.25Å; F233-I245 HydrophobicContact CE1-CB 3.93Å; F233-I245 HydrophobicContact CE1-CD1 3.99Å; F233-I245 HydrophobicContact CE1-CG2 3.75Å; F233-I245 HydrophobicContact CZ-CB 4.11Å; F233-I245 HydrophobicContact CZ-CG2 3.76Å; A241-I245 VanDerWaalsContact O-CG1 3.3Å; A241-I245 WeakPolarHBondContact O-CG1 3.32Å; A241-I245 PolarHBondContact O-N 3.41Å; I245-K247 VanDerWaalsContact C-N 3.27Å; I245-K247 PolarHBondContact O-N 3.41Å; I245-L248 PolarHBondContact O-N 3.36Å; I245-L248 VanDerWaalsContact O-N 3.16Å; I245-L249 HydrophobicContact CG2-CD1 3.64Å; I245-L249 HydrophobicContact CG2-CG 4.17Å; I245-L249 WeakPolarHBondContact O-CB 3.47Å; I245-L249 PolarHBondContact O-N 2.7Å
246S98.8Very high98Very high39 Ų3950.3 Ų50.327%0.27326%0.261SS..Hα-helixtrans-66.2-28.2-179.1-57.30000113.1R242 D243 L244 R250R242-S246 VanDerWaalsContact O-CB 3.25Å; R242-S246 WeakPolarHBondContact O-CB 3.47Å; R242-S246 PolarHBondContact O-N 3.08Å; R242-S246 PolarHBondContact O-OG 3.01Å; D243-S246 PolarHBondContact O-N 3.26Å; L244-S246 VanDerWaalsContact C-N 3.31Å; L244-S246 PolarHBondContact O-N 2.94Å; S246-R250 WeakPolarHBondContact O-CD 3.2Å
247K98.8Very high98.3Very high80 Ų8048.7 Ų48.735%0.34825%0.25SS..Hα-helixtrans-80.5-24174.8-72.4170.5175162.10113.1D243 L244 I245 R250 L257D243-K247 VanDerWaalsContact CG-NZ 3.25Å; D243-K247 VanDerWaalsContact O-CG 3.31Å; D243-K247 WeakPolarHBondContact O-CG 3.23Å; D243-K247 PolarHBondContact O-N 3.12Å; D243-K247 WeakPolarHBondContact OD1-CE 3.37Å; D243-K247 IonicContact OD1-NZ 2.83Å; D243-K247 PolarHBondContact OD1-NZ 3.02Å; D243-K247 VanDerWaalsContact OD1-NZ 3.09Å; D243-K247 IonicContact OD2-NZ 3.69Å; D243-K247 PolarHBondContact OD2-NZ 3.14Å; L244-K247 PolarHBondContact O-N 3.37Å; I245-K247 VanDerWaalsContact C-N 3.27Å; I245-K247 PolarHBondContact O-N 3.41Å; K247-R250 WeakPolarHBondContact O-CG 3.35Å; K247-L257 HydrophobicContact CB-CB 4.02Å; K247-L257 HydrophobicContact CB-CD2 4.2Å; K247-L257 HydrophobicContact CB-CG 4.49Å; K247-L257 HydrophobicContact CD-CD1 4.45Å; K247-L257 HydrophobicContact CD-CD2 4.46Å; K247-L257 PolarHBondContact O-N 3.4Å
248L98.8Very high98.4Very high0 Ų051.1 Ų51.10%027%0.267CS..Hα-helixtrans-85-44.5174.7-75.5166.6000112.2M122 L197 I200 L244 I245 R250 R256 L257 V262M122-L248 HydrophobicContact CE-CD1 4.01Å; L197-L248 HydrophobicContact CB-CD2 4.3Å; I200-L248 HydrophobicContact CD1-CD1 4.39Å; I200-L248 HydrophobicContact CD1-CD2 4.06Å; I200-L248 HydrophobicContact CG1-CD1 4.18Å; I200-L248 HydrophobicContact CG1-CD2 4.1Å; L244-L248 HydrophobicContact CD1-CD1 3.95Å; L244-L248 HydrophobicContact CD1-CG 4.4Å; L244-L248 HydrophobicContact CG-CD1 4.06Å; L244-L248 PolarHBondContact O-N 3.21Å; L244-L248 VanDerWaalsContact O-N 3.09Å; I245-L248 PolarHBondContact O-N 3.36Å; I245-L248 VanDerWaalsContact O-N 3.16Å; L248-R250 PolarHBondContact O-N 3.2Å; L248-R256 WeakPolarHBondContact O-CG 3.47Å; L248-L257 HydrophobicContact CD2-CB 4.12Å; L248-L257 HydrophobicContact CG-CB 4.41Å; L248-V262 HydrophobicContact CD1-CG2 4.31Å; L248-V262 HydrophobicContact CD2-CG2 3.75Å; L248-V262 HydrophobicContact CG-CG2 4.36Å
249L98.8Very high98.4Very high4 Ų449.8 Ų49.82%0.02126%0.257CS..SBendtrans-84.867.7-178.8-61.6-175.9000110.6W198 V202 P213 F214 V229 L231 I245W198-L249 HydrophobicContact CD2-CD2 3.68Å; W198-L249 HydrophobicContact CE3-CB 4.43Å; W198-L249 HydrophobicContact CE3-CD2 3.75Å; W198-L249 HydrophobicContact CG-CD2 4.18Å; W198-L249 HydrophobicContact CH2-CD2 4.33Å; W198-L249 HydrophobicContact CZ2-CD2 4.26Å; W198-L249 HydrophobicContact CZ3-CB 4.14Å; W198-L249 HydrophobicContact CZ3-CD2 4.08Å; W198-L249 WeakPolarHBondContact O-CD2 3.35Å; V202-L249 HydrophobicContact CG2-CD2 3.83Å; P213-L249 HydrophobicContact CG-CD1 4.27Å; F214-L249 HydrophobicContact CE2-CD1 4.3Å; F214-L249 HydrophobicContact CZ-CD1 4.16Å; V229-L249 HydrophobicContact CG1-CB 4.47Å; V229-L249 WeakPolarHBondContact CG1-O 3.39Å; L231-L249 HydrophobicContact CD1-CB 3.83Å; L231-L249 HydrophobicContact CD1-CD1 4.03Å; L231-L249 HydrophobicContact CD2-CD1 3.63Å; L231-L249 HydrophobicContact CG-CD1 4.44Å; I245-L249 HydrophobicContact CG2-CD1 3.64Å; I245-L249 HydrophobicContact CG2-CG 4.17Å; I245-L249 WeakPolarHBondContact O-CB 3.47Å; I245-L249 PolarHBondContact O-N 2.7Å
250R98.7Very high98.5Very high119 Ų11947.6 Ų47.645%0.44924%0.242SC..  trans-102.6137.3172.1-53.9-64.9-65.7-168.1-2.8109.5S246 K247 L248 D255 R256S246-R250 WeakPolarHBondContact O-CD 3.2Å; K247-R250 WeakPolarHBondContact O-CG 3.35Å; L248-R250 PolarHBondContact O-N 3.2Å; R250-D255 HydrophobicContact CB-CB 4.02Å; R250-D255 HydrophobicContact CG-CB 4.17Å; R250-R256 HydrophobicContact CB-CG 3.95Å; R250-R256 HydrophobicContact CG-CG 4.5Å; R250-R256 PolarHBondContact O-NE 3.2Å; R250-R256 PolarHBondContact O-NH2 3.22Å
251H98.2Very high98.5Very high75 Ų7550.2 Ų50.235%0.34725%0.25SC..SBendtrans-56.4-58.9177.4-177.7-86000110.5E187 T227 V229 P253 R256E187-H251 IonicContact OE1-CD2 2.94Å; E187-H251 IonicContact OE1-CE1 2.82Å; E187-H251 PolarHBondContact OE1-CE1 3.39Å; E187-H251 IonicContact OE1-NE2 3.78Å; E187-H251 PolarHBondContact OE1-NE2 3.48Å; E187-H251 IonicContact OE2-CE1 2.67Å; E187-H251 IonicContact OE2-NE2 3.79Å; T227-H251 PolarHBondContact O-CD2 3.03Å; T227-H251 PolarHBondContact O-NE2 2.98Å; V229-H251 HydrophobicContact CG2-CB 3.7Å; H251-P253 WeakPolarHBondContact O-CD 3.09Å; H251-R256 PolarHBondContact O-NH2 2.84Å
252N97.7Very high98.5Very high66 Ų6650.2 Ų50.235%0.35325%0.25SC..SBendtrans-69.1120.7175.1-179.62.8000110.8I254 D255N252-I254 PolarHBondContact O-N 3.27Å; N252-I254 VanDerWaalsContact O-N 3.15Å; N252-I254 PolarHBondContact OD1-N 2.94Å; N252-D255 WeakPolarHBondContact CB-OD2 3.21Å; N252-D255 PolarHBondContact ND2-OD2 2.89Å; N252-D255 PolarHBondContact O-N 2.9Å; N252-D255 VanDerWaalsContact O-N 3.16Å
253P97.7Very high98.5Very high33 Ų3347.1 Ų47.121%0.21424%0.24CC..G310 helixtrans-59.6-26.9-177.3-2534000115.3E184 K194 H251 D255 R256E184-P253 HydrophobicContact CB-CG 4.49Å; E184-P253 HydrophobicContact CG-CG 4.28Å; K194-P253 HydrophobicContact CB-CB 3.74Å; K194-P253 HydrophobicContact CG-CB 4.25Å; H251-P253 WeakPolarHBondContact O-CD 3.09Å; P253-D255 VanDerWaalsContact C-N 3.3Å; P253-R256 PolarHBondContact O-N 2.82Å
254I97.1Very high98.5Very high130 Ų13047 Ų4767%0.66724%0.239SC*.G310 helixtrans-71.9-30-177.8-60.9173.2000111N252 R256N252-I254 PolarHBondContact O-N 3.27Å; N252-I254 VanDerWaalsContact O-N 3.15Å; N252-I254 PolarHBondContact OD1-N 2.94Å; I254-R256 VanDerWaalsContact C-N 3.26Å; I254-R256 PolarHBondContact O-N 3.33Å
255D98.2Very high98.5Very high88 Ų8847.9 Ų47.947%0.47124%0.243SC..G310 helixtrans-79.7-8.7-177.7-59.6-24.5000112.9R250 N252 P253R250-D255 HydrophobicContact CB-CB 4.02Å; R250-D255 HydrophobicContact CG-CB 4.17Å; N252-D255 WeakPolarHBondContact CB-OD2 3.21Å; N252-D255 PolarHBondContact ND2-OD2 2.89Å; N252-D255 PolarHBondContact O-N 2.9Å; N252-D255 VanDerWaalsContact O-N 3.16Å; P253-D255 VanDerWaalsContact C-N 3.3Å
256R98.8Very high98.4Very high2 Ų255.1 Ų55.11%0.00828%0.277CS..SBendtrans-68.9135-179.2-59.5-177-173.4143.89.1111.1E184 K194 L197 L248 R250 H251 P253 I254 P258E184-R256 IonicContact OE1-CZ 2.76Å; E184-R256 IonicContact OE1-NH1 2.98Å; E184-R256 PolarHBondContact OE1-NH1 3.45Å; E184-R256 IonicContact OE1-NH2 3.21Å; E184-R256 PolarHBondContact OE1-NH2 3.42Å; E184-R256 IonicContact OE2-CZ 3.08Å; E184-R256 IonicContact OE2-NH1 3.36Å; E184-R256 IonicContact OE2-NH2 3.09Å; E184-R256 PolarHBondContact OE2-NH2 3.45Å; K194-R256 PolarHBondContact O-NH1 3.2Å; L197-R256 HydrophobicContact CB-CB 4.22Å; L197-R256 HydrophobicContact CD2-CB 3.98Å; L248-R256 WeakPolarHBondContact O-CG 3.47Å; R250-R256 HydrophobicContact CB-CG 3.95Å; R250-R256 HydrophobicContact CG-CG 4.5Å; R250-R256 PolarHBondContact O-NE 3.2Å; R250-R256 PolarHBondContact O-NH2 3.22Å; H251-R256 PolarHBondContact O-NH2 2.84Å; P253-R256 PolarHBondContact O-N 2.82Å; I254-R256 VanDerWaalsContact C-N 3.26Å; I254-R256 PolarHBondContact O-N 3.33Å; R256-P258 WeakPolarHBondContact O-CD 3.39Å
257L98.6Very high98.4Very high26 Ų2653.9 Ų53.914%0.13627%0.267CS..PPolyproline II helixtrans-54.5121.9179.2-16665.9000111.5L197 L244 K247 L248 N261 V262L197-L257 VanDerWaalsContact CD2-O 3.27Å; L197-L257 WeakPolarHBondContact CD2-O 3.36Å; L244-L257 HydrophobicContact CD1-CD2 3.69Å; K247-L257 HydrophobicContact CB-CB 4.02Å; K247-L257 HydrophobicContact CB-CD2 4.2Å; K247-L257 HydrophobicContact CB-CG 4.49Å; K247-L257 HydrophobicContact CD-CD1 4.45Å; K247-L257 HydrophobicContact CD-CD2 4.46Å; K247-L257 PolarHBondContact O-N 3.4Å; L248-L257 HydrophobicContact CD2-CB 4.12Å; L248-L257 HydrophobicContact CG-CB 4.41Å; L257-N261 HydrophobicContact CD1-CB 3.61Å; L257-N261 HydrophobicContact CD2-CB 4.42Å; L257-N261 HydrophobicContact CG-CB 3.8Å; L257-V262 HydrophobicContact CD2-CG2 4.01Å; L257-V262 HydrophobicContact CG-CG2 4.32Å
258P98.5Very high98.4Very high59 Ų5950.1 Ų50.138%0.38325%0.25SS..PPolyproline II helixtrans-60.4151176.4-23.634000112.6R256 Q260 N261 V262R256-P258 WeakPolarHBondContact O-CD 3.39Å; P258-Q260 VanDerWaalsContact C-N 3.34Å; P258-Q260 PolarHBondContact O-N 2.88Å; P258-N261 CarbonylContact O-C 3.51Å; P258-N261 WeakPolarHBondContact O-CA 3.37Å; P258-N261 WeakPolarHBondContact O-CB 3.41Å; P258-N261 PolarHBondContact O-N 2.9Å; P258-V262 PolarHBondContact O-N 2.96Å; P258-V262 VanDerWaalsContact O-N 3.07Å
259L98.6Very high98.4Very high10 Ų1055.8 Ų55.85%0.05228%0.275CS..Hα-helixtrans-58.3-40.1-175-64.4171000113.6L129 M130 L197 I200 N261 V262 I263L129-L259 HydrophobicContact CB-CD1 3.65Å; L129-L259 HydrophobicContact CB-CD2 4.24Å; L129-L259 HydrophobicContact CD1-CD2 4.35Å; M130-L259 HydrophobicContact CB-CD1 4.42Å; M130-L259 HydrophobicContact CG-CB 3.36Å; M130-L259 HydrophobicContact CG-CD1 3.72Å; M130-L259 HydrophobicContact CG-CG 4.19Å; M130-L259 HydrophobicContact SD-CB 3.91Å; L197-L259 HydrophobicContact CD1-CD1 4.4Å; L197-L259 HydrophobicContact CD1-CD2 4.03Å; L197-L259 HydrophobicContact CD1-CG 4Å; L197-L259 HydrophobicContact CG-CD2 4.2Å; L197-L259 HydrophobicContact CG-CG 4.37Å; I200-L259 HydrophobicContact CD1-CD2 3.6Å; L259-N261 VanDerWaalsContact C-N 3.26Å; L259-N261 PolarHBondContact O-N 3.49Å; L259-V262 WeakPolarHBondContact O-CB 3.41Å; L259-V262 PolarHBondContact O-N 3Å; L259-I263 PolarHBondContact O-N 3.04Å
260Q98.4Very high98.4Very high87 Ų8757.7 Ų57.741%0.40730%0.296SS..Hα-helixtrans-58.8-41.4174.2-177.559.458.900111.1M130 P258 V262 I263 D264M130-Q260 HydrophobicContact CE-CB 4.38Å; M130-Q260 VanDerWaalsContact CE-OE1 3.32Å; M130-Q260 HydrophobicContact SD-CB 4.11Å; P258-Q260 VanDerWaalsContact C-N 3.34Å; P258-Q260 PolarHBondContact O-N 2.88Å; Q260-V262 VanDerWaalsContact C-N 3.28Å; Q260-V262 PolarHBondContact O-N 3.48Å; Q260-I263 WeakPolarHBondContact O-CB 3.39Å; Q260-I263 PolarHBondContact O-N 3.47Å; Q260-D264 PolarHBondContact NE2-OD2 3.49Å; Q260-D264 WeakPolarHBondContact O-CB 3.4Å; Q260-D264 PolarHBondContact O-N 3.33Å
261N98.7Very high98.4Very high80 Ų8054.2 Ų54.243%0.42829%0.286SS..Hα-helixtrans-71.8-20177.7-63.468.9000113.3L257 P258 L259 H265L257-N261 HydrophobicContact CD1-CB 3.61Å; L257-N261 HydrophobicContact CD2-CB 4.42Å; L257-N261 HydrophobicContact CG-CB 3.8Å; P258-N261 CarbonylContact O-C 3.51Å; P258-N261 WeakPolarHBondContact O-CA 3.37Å; P258-N261 WeakPolarHBondContact O-CB 3.41Å; P258-N261 PolarHBondContact O-N 2.9Å; L259-N261 VanDerWaalsContact C-N 3.26Å; L259-N261 PolarHBondContact O-N 3.49Å; N261-H265 PolarHBondContact O-N 3.21Å; N261-H265 VanDerWaalsContact O-N 3.07Å
262V98.8Very high98.4Very high0 Ų051.3 Ų51.30%027%0.274CS..Hα-helixtrans-68.7-48.6168.51770000109.8M122 S126 I200 L244 L248 L257 P258 L259 Q260 D264 H265 V268M122-V262 HydrophobicContact CE-CG1 4.09Å; S126-V262 VanDerWaalsContact OG-CG1 3.24Å; S126-V262 WeakPolarHBondContact OG-CG1 3.41Å; I200-V262 HydrophobicContact CD1-CG2 4.29Å; L244-V262 HydrophobicContact CD1-CB 4.49Å; L244-V262 HydrophobicContact CD1-CG1 4.1Å; L244-V262 HydrophobicContact CD1-CG2 4.31Å; L244-V262 HydrophobicContact CD2-CG1 4.49Å; L248-V262 HydrophobicContact CD1-CG2 4.31Å; L248-V262 HydrophobicContact CD2-CG2 3.75Å; L248-V262 HydrophobicContact CG-CG2 4.36Å; L257-V262 HydrophobicContact CD2-CG2 4.01Å; L257-V262 HydrophobicContact CG-CG2 4.32Å; P258-V262 PolarHBondContact O-N 2.96Å; P258-V262 VanDerWaalsContact O-N 3.07Å; L259-V262 WeakPolarHBondContact O-CB 3.41Å; L259-V262 PolarHBondContact O-N 3Å; Q260-V262 VanDerWaalsContact C-N 3.28Å; Q260-V262 PolarHBondContact O-N 3.48Å; V262-D264 VanDerWaalsContact C-N 3.26Å; V262-D264 PolarHBondContact O-N 2.8Å; V262-H265 WeakPolarHBondContact O-CB 3.31Å; V262-H265 PolarHBondContact O-N 3.07Å; V262-H265 VanDerWaalsContact O-N 3.14Å; V262-V268 WeakPolarHBondContact O-CB 3.39Å; V262-V268 VanDerWaalsContact O-CG2 3.32Å; V262-V268 WeakPolarHBondContact O-CG2 3.34Å
263I98.6Very high98.4Very high27 Ų2754.9 Ų54.914%0.13828%0.283CS..Hα-helixtrans-59.7-41.2176-62.7170.4000110.3E123 D127 M130 L259 Q260 H265E123-I263 HydrophobicContact CG-CG1 4.47Å; E123-I263 HydrophobicContact CG-CG2 4.22Å; D127-I263 HydrophobicContact CB-CD1 4.17Å; M130-I263 HydrophobicContact SD-CD1 3.74Å; L259-I263 PolarHBondContact O-N 3.04Å; Q260-I263 WeakPolarHBondContact O-CB 3.39Å; Q260-I263 PolarHBondContact O-N 3.47Å; I263-H265 VanDerWaalsContact C-N 3.27Å; I263-H265 PolarHBondContact O-N 2.97Å
264D98.6Very high98.4Very high61 Ų6155.3 Ų55.333%0.32628%0.28SS..THydrogen-bonded Turntrans-79.6-4.5179.9-70.6-47.2000114.9Q260 V262 Q266 K269Q260-D264 PolarHBondContact NE2-OD2 3.49Å; Q260-D264 WeakPolarHBondContact O-CB 3.4Å; Q260-D264 PolarHBondContact O-N 3.33Å; V262-D264 VanDerWaalsContact C-N 3.26Å; V262-D264 PolarHBondContact O-N 2.8Å; D264-Q266 PolarHBondContact O-N 3.4Å; D264-K269 VanDerWaalsContact OD1-CE 3.31Å; D264-K269 WeakPolarHBondContact OD1-CE 3.46Å; D264-K269 IonicContact OD1-NZ 3.74Å; D264-K269 PolarHBondContact OD1-NZ 2.93Å
265H98.8Very high98.2Very high19 Ų1954.4 Ų54.49%0.08828%0.276CS..  trans-62.6136.2-177.8-161.8-92.5000111G240 D243 L244 N261 V262 I263 W267 V268 K269G240-H265 PolarHBondContact O-CE1 2.91Å; D243-H265 IonicContact OD2-CE1 3.93Å; D243-H265 PolarHBondContact OD2-CE1 3.08Å; D243-H265 IonicContact OD2-NE2 2.71Å; D243-H265 PolarHBondContact OD2-NE2 3.31Å; L244-H265 HydrophobicContact CD1-CB 4.2Å; N261-H265 PolarHBondContact O-N 3.21Å; N261-H265 VanDerWaalsContact O-N 3.07Å; V262-H265 WeakPolarHBondContact O-CB 3.31Å; V262-H265 PolarHBondContact O-N 3.07Å; V262-H265 VanDerWaalsContact O-N 3.14Å; I263-H265 VanDerWaalsContact C-N 3.27Å; I263-H265 PolarHBondContact O-N 2.97Å; H265-W267 VanDerWaalsContact C-N 3.26Å; H265-W267 PolarHBondContact ND1-N 2.89Å; H265-W267 PolarHBondContact O-N 3.36Å; H265-V268 HydrophobicContact CB-CB 4.33Å; H265-V268 HydrophobicContact CB-CG2 4.13Å; H265-V268 PolarHBondContact O-N 3.34Å; H265-K269 PolarHBondContact O-N 3.28Å
266Q98.5Very high97.6Very high153 Ų15355.9 Ų55.972%0.71528%0.283SS*.Hα-helixtrans-56.7-40.5-175.7-66.9-60.1-39.100112.5D264 V268 K269 G270D264-Q266 PolarHBondContact O-N 3.4Å; Q266-V268 PolarHBondContact O-N 3.38Å; Q266-K269 PolarHBondContact O-N 2.85Å; Q266-G270 PolarHBondContact O-N 3.32Å
267W98.8Very high96.8Very high13 Ų1357.3 Ų57.35%0.04929%0.293CS..Hα-helixtrans-63.9-38.2175.7-178.281.6000113D115 T118 A119 L208 S238 A241 L244 H265 N271D115-W267 HydrophobicContact CB-CZ2 3.86Å; D115-W267 PolarHBondContact OD2-NE1 2.91Å; T118-W267 HydrophobicContact CG2-CH2 3.86Å; A119-W267 HydrophobicContact CB-CE3 4.22Å; A119-W267 HydrophobicContact CB-CH2 4Å; A119-W267 HydrophobicContact CB-CZ2 4.47Å; A119-W267 HydrophobicContact CB-CZ3 3.84Å; L208-W267 HydrophobicContact CD1-CH2 4.21Å; L208-W267 HydrophobicContact CD1-CZ2 4.19Å; L208-W267 HydrophobicContact CD2-CZ2 4.4Å; S238-W267 PolarHBondContact OG-NE1 3.3Å; A241-W267 HydrophobicContact CB-CD2 4.11Å; A241-W267 HydrophobicContact CB-CH2 4.31Å; A241-W267 HydrophobicContact CB-CZ2 3.69Å; L244-W267 HydrophobicContact CD2-CE3 3.7Å; L244-W267 HydrophobicContact CD2-CZ3 3.85Å; H265-W267 VanDerWaalsContact C-N 3.26Å; H265-W267 PolarHBondContact ND1-N 2.89Å; H265-W267 PolarHBondContact O-N 3.36Å; W267-N271 VanDerWaalsContact CD1-ND2 3.31Å; W267-N271 PolarHBondContact NE1-ND2 2.98Å; W267-N271 WeakPolarHBondContact O-CB 3.43Å; W267-N271 PolarHBondContact O-N 3.22Å; W267-N271 PolarHBondContact O-ND2 3.34Å
268V98.8Very high95.9Very high1 Ų161.2 Ų61.21%0.00632%0.32CS..Hα-helixtrans-69.4-49.3177.1175.30000110M122 E123 L244 V262 H265 Q266 G270 N271 S272M122-V268 HydrophobicContact CB-CG2 4.38Å; E123-V268 HydrophobicContact CB-CG1 3.97Å; L244-V268 HydrophobicContact CD2-CG2 3.75Å; V262-V268 WeakPolarHBondContact O-CB 3.39Å; V262-V268 VanDerWaalsContact O-CG2 3.32Å; V262-V268 WeakPolarHBondContact O-CG2 3.34Å; H265-V268 HydrophobicContact CB-CB 4.33Å; H265-V268 HydrophobicContact CB-CG2 4.13Å; H265-V268 PolarHBondContact O-N 3.34Å; Q266-V268 PolarHBondContact O-N 3.38Å; V268-G270 VanDerWaalsContact C-N 3.31Å; V268-G270 PolarHBondContact O-N 3.18Å; V268-N271 PolarHBondContact O-N 2.9Å; V268-S272 WeakPolarHBondContact O-CB 3.34Å; V268-S272 PolarHBondContact O-N 3.42Å
269K98.4Very high94.9Very high118 Ų11864.7 Ų64.751%0.51334%0.34SS..Hα-helixtrans-60-37.4177.9-77.3-175.9166.6160.20113.6D264 H265 Q266D264-K269 VanDerWaalsContact OD1-CE 3.31Å; D264-K269 WeakPolarHBondContact OD1-CE 3.46Å; D264-K269 IonicContact OD1-NZ 3.74Å; D264-K269 PolarHBondContact OD1-NZ 2.93Å; H265-K269 PolarHBondContact O-N 3.28Å; Q266-K269 PolarHBondContact O-N 2.85Å
270G98.4Very high93.2Very high45 Ų4569.7 Ų69.746%0.46438%0.375SS..Hα-helixtrans-70.3-34.9178.800000113.6Q266 V268 R273Q266-G270 PolarHBondContact O-N 3.32Å; V268-G270 VanDerWaalsContact C-N 3.31Å; V268-G270 PolarHBondContact O-N 3.18Å; G270-R273 PolarHBondContact O-NH1 3.17Å
271N98.6Very high90.8Very high45 Ų4570.9 Ų70.924%0.24139%0.39CS..Hα-helixtrans-106.9-28.5-169.2-69-70.5000114.5Q116 A119 W267 V268Q116-N271 VanDerWaalsContact CG-O 3.26Å; Q116-N271 WeakPolarHBondContact CG-O 3.49Å; A119-N271 HydrophobicContact CB-CB 3.51Å; W267-N271 VanDerWaalsContact CD1-ND2 3.31Å; W267-N271 PolarHBondContact NE1-ND2 2.98Å; W267-N271 WeakPolarHBondContact O-CB 3.43Å; W267-N271 PolarHBondContact O-N 3.22Å; W267-N271 PolarHBondContact O-ND2 3.34Å; V268-N271 PolarHBondContact O-N 2.9Å
272S98.6Very high88.5Confident14 Ų1473.1 Ų73.110%0.09841%0.407CS..  trans-62.7143.3-176.2-1790000112.4T120 E123 V268 R274T120-S272 WeakPolarHBondContact CA-OG 3.34Å; E123-S272 WeakPolarHBondContact OE2-CB 3.38Å; E123-S272 PolarHBondContact OE2-OG 2.95Å; V268-S272 WeakPolarHBondContact O-CB 3.34Å; V268-S272 PolarHBondContact O-N 3.42Å; S272-R274 PolarHBondContact OG-N 2.92Å
273R97.8Very high85.7Confident142 Ų14282.9 Ų82.954%0.53645%0.449SS..  trans-127.934.9173.3-58.9-64.3178.1-104.8-0110.7Q116 T120 G270 L275Q116-R273 HydrophobicContact CG-CB 4.47Å; Q116-R273 HydrophobicContact CG-CG 3.6Å; T120-R273 PolarHBondContact OG1-N 3.44Å; G270-R273 PolarHBondContact O-NH1 3.17Å; R273-L275 PolarHBondContact O-N 3.1Å
274R97.2Very high82.6Confident41 Ų4190.7 Ų90.716%0.15548%0.482CS..  trans-54.6132.8-178.2-172.1-180-176.1-160-1111.5N77 T120 E123 E124 D127 S272N77-R274 PolarHBondContact OD1-NH2 3.47Å; T120-R274 HydrophobicContact CG2-CB 4.22Å; E123-R274 VanDerWaalsContact CD-CD 3.41Å; E123-R274 WeakPolarHBondContact OE1-CD 3.45Å; E123-R274 IonicContact OE1-NH1 2.65Å; E123-R274 WeakPolarHBondContact OE2-CB 3.45Å; E124-R274 HydrophobicContact CG-CG 3.77Å; D127-R274 IonicContact OD2-CZ 2.72Å; D127-R274 IonicContact OD2-NH1 3.02Å; D127-R274 PolarHBondContact OD2-NH1 3.17Å; D127-R274 IonicContact OD2-NH2 3.26Å; D127-R274 PolarHBondContact OD2-NH2 3.44Å; S272-R274 PolarHBondContact OG-N 2.92Å
275L92.2Very high80.1Confident112 Ų11297.3 Ų97.359%0.58653%0.528SS*.  trans-123.6122.9174.1-65.2176.3000108.8R273R273-L275 PolarHBondContact O-N 3.1Å
276L86.6Confident79.2Confident119 Ų119101.3 Ų101.362%0.62355%0.55SS**PPolyproline II helixtrans-70.8135.6175.1-66.6178.5000110.4P76P76-L276 HydrophobicContact CG-CD2 4.23Å
277P80.4Confident78.2Confident31 Ų3198.5 Ų98.520%0.20154%0.542CS..PPolyproline II helixtrans-59147.3172.7-23.333.2000111.3P76 E154 T279P76-P277 HydrophobicContact CB-CG 4.09Å; E154-P277 HydrophobicContact CG-CG 4.17Å; P277-T279 PolarHBondContact O-N 2.96Å
278P80.1Confident77Confident109 Ų109103.3 Ų103.371%0.70857%0.569SS**PPolyproline II helixtrans-56.5128.7172.4-2030.6000110.3
279T78Confident75.8Confident131 Ų131109.3 Ų109.380%0.80460%0.602SS**PPolyproline II helixtrans-87.2139.7172.453.10000109.6P277P277-T279 PolarHBondContact O-N 2.96Å
280C62.3Low74.3Confident116 Ų116108.8 Ų108.878%0.78461%0.608SS**PPolyproline II helixtrans-68.3126168.2-166.90000107.3T282C280-T282 PolarHBondContact O-N 3.12Å; C280-T282 VanDerWaalsContact O-N 3.12Å
281P49.6Very low72.7Confident112 Ų112113 Ų11373%0.72762%0.617SS**PPolyproline II helixtrans-57.2123.6178.520.6-29.6000108.6K283P281-K283 PolarHBondContact O-N 2.83Å; P281-K283 VanDerWaalsContact O-N 3.1Å
282T49.1Very low70.9Confident127 Ų127117.9 Ų117.978%0.77964%0.644SS**PPolyproline II helixtrans-60.5119.1170.442.80000106.6C280 K284C280-T282 PolarHBondContact O-N 3.12Å; C280-T282 VanDerWaalsContact O-N 3.12Å; T282-K284 PolarHBondContact O-N 2.91Å
283K40.8Very low68.8Low204 Ų204125.8 Ų125.889%0.88769%0.686SS**  trans-54.9113.1161.1-75.2-173177.2-175.40104.8P281P281-K283 PolarHBondContact O-N 2.83Å; P281-K283 VanDerWaalsContact O-N 3.1Å
284K33.5Very low66.3Low192 Ų192124.5 Ų124.584%0.83570%0.699SS**  trans-52.4136.8170.5-75.6-177.1176.9-179.60107T282T282-K284 PolarHBondContact O-N 2.91Å
285P46.2Very low63.5Low200 Ų200132.1 Ų132.1100%1.29975%0.748SS**  trans-56.20174.525.8-33.3000111

Retrieved 285 of 285 residues in 87.5 ms (Link to these results)

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