A0A096NVB7_PAPAN Loading...

Actin-related protein 10

Part of the dynactin complex that activates the molecular motor dynein for ultra-processive transport along microtubules.

AlphaFold DB , UniProt , Accession A0A096NVB7, Species PAPAN (Papio anubis, Olive baboon), Gene ACTR10, Length 417 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
1M33.5Very low43.5Very low230 Ų230127.1 Ų127.1100%1.13378%0.779SS**  0128.30-62.1-171.3-154.100107.5L3M1-L3 PolarHBondContact O-N 3.19Å
2P43.5Very low45.1Very low86 Ų86126 Ų12656%0.55876%0.759SS**  trans-73.6123178.71.415000109.2Y4P2-Y4 PolarHBondContact O-N 3.29Å
3L42.5Very low47.5Very low168 Ų168123.8 Ų123.888%0.8873%0.733SS**SBendtrans-70.713.2-171.5-88.3150.4000116.1M1M1-L3 PolarHBondContact O-N 3.19Å
4Y46.6Very low50.3Low194 Ų194118.5 Ų118.576%0.76170%0.702SS**  trans-144.962.7-178.8-85.7-90.1000110.1P2 G6P2-Y4 PolarHBondContact O-N 3.29Å; Y4-G6 PolarHBondContact O-N 2.71Å
5E46.4Very low53Low141 Ų141110.9 Ų110.966%0.65966%0.658SS**  trans-71.3105.1148.7-88.2-174.3153.700106.3L7 R87E5-L7 PolarHBondContact O-N 3.03Å; E5-R87 IonicContact OE1-NH2 3.79Å; E5-R87 PolarHBondContact OE1-NH2 2.94Å
6G44.7Very low55.6Low61 Ų61103.9 Ų103.963%0.62962%0.617SS**  trans-52.4125.8163.700000107.7Y4 G8Y4-G6 PolarHBondContact O-N 2.71Å; G6-G8 PolarHBondContact O-N 3.29Å
7L42.9Very low57.9Low184 Ų18497.8 Ų97.896%0.96358%0.58SS**  trans-58.682.1175-82.4146.6000109.4E5 S9E5-L7 PolarHBondContact O-N 3.03Å; L7-S9 PolarHBondContact O-N 3.37Å
8G43.7Very low60Low48 Ų4892.7 Ų92.750%0.49555%0.55SS..  trans-70.2111.2164.400000107.7G6 G10G6-G8 PolarHBondContact O-N 3.29Å; G8-G10 PolarHBondContact O-N 3.02Å
9S40.1Very low61.9Low137 Ų13788.9 Ų88.996%0.95853%0.527SS*.THydrogen-bonded Turntrans-62.399.1171.8-174.80000108.7L7L7-S9 PolarHBondContact O-N 3.37Å
10G45.5Very low63.4Low66 Ų6685.8 Ų85.868%0.6851%0.507SS*.THydrogen-bonded Turntrans143.93.4174.800000117.9G8 E12G8-G10 PolarHBondContact O-N 3.02Å; G10-E12 PolarHBondContact O-N 3.41Å
11G49Very low64.7Low83 Ų8382.7 Ų82.786%0.85649%0.494SS*.SBendtrans68.81.6178.200000115
12E62.3Low67.4Low114 Ų11472.9 Ų72.953%0.53345%0.445SS..PPolyproline II helixtrans-90131.6177.1-67.4-171.5153.500111.2G10G10-E12 PolarHBondContact O-N 3.41Å
13K77.4Confident69.7Low97 Ų9769.4 Ų69.442%0.42242%0.423SS..PPolyproline II helixtrans-74.7129.4-178.1-64.8177.4177.7171.80110.2A15 D86 R87K13-A15 PolarHBondContact O-N 2.71Å; K13-D86 HydrophobicContact CD-CB 3.84Å; K13-D86 WeakPolarHBondContact CD-O 3.41Å; K13-D86 IonicContact NZ-OD1 3.56Å; K13-D86 IonicContact NZ-OD2 3.24Å; K13-D86 PolarHBondContact NZ-OD2 2.83Å; K13-R87 HydrophobicContact CB-CG 3.79Å; K13-R87 HydrophobicContact CD-CG 4.28Å
14T86.2Confident72.1Confident50 Ų5065 Ų6531%0.30740%0.397SS..PPolyproline II helixtrans-54.1135.2175.653.90000112.2F29 R87T14-F29 WeakPolarHBondContact OG1-CD1 3.45Å; T14-R87 WeakPolarHBondContact O-CD 3.5Å; T14-R87 PolarHBondContact O-NH1 3.07Å; T14-R87 PolarHBondContact OG1-NH1 2.72Å
15A90.8Very high74.4Confident4 Ų455.8 Ų55.83%0.03336%0.361CS..PPolyproline II helixtrans-68.4153.2178.200000111.5K13 F29 A30 R88 L368K13-A15 PolarHBondContact O-N 2.71Å; A15-F29 WeakPolarHBondContact O-CA 3.45Å; A15-A30 HydrophobicContact CB-CB 4.05Å; A15-A30 PolarHBondContact O-N 3.43Å; A15-R88 CarbonylContact C-O 3.59Å; A15-R88 WeakPolarHBondContact CA-O 3.15Å; A15-R88 HydrophobicContact CB-CB 4.26Å; A15-L368 HydrophobicContact CB-CD1 3.84Å
16V94.1Very high76.7Confident0 Ų049.4 Ų49.40%033%0.331CS..EExtended strand (participates in β ladder)trans-92.9135.1174.8175.50000109.2I18 F29 Y76 L80 R87 R88 V89 V90V16-I18 HydrophobicContact CG1-CD1 4.3Å; V16-I18 HydrophobicContact CG1-CG1 3.92Å; V16-F29 HydrophobicContact CG2-CD1 4.3Å; V16-F29 HydrophobicContact CG2-CE1 4.09Å; V16-Y76 HydrophobicContact CG1-CE1 4.27Å; V16-Y76 HydrophobicContact CG2-CE1 4.03Å; V16-L80 HydrophobicContact CB-CD1 4.48Å; V16-L80 HydrophobicContact CG1-CD1 3.45Å; V16-L80 VanDerWaalsContact CG1-CD1 3.45Å; V16-L80 HydrophobicContact CG2-CD1 4.16Å; V16-R87 HydrophobicContact CG2-CB 4.31Å; V16-R88 PolarHBondContact N-O 2.77Å; V16-V89 CarbonylContact O-C 3.59Å; V16-V89 WeakPolarHBondContact O-CA 3.37Å; V16-V90 PolarHBondContact O-N 3.18Å
17V95.8Very high79.1Confident0 Ų046.5 Ų46.50%030%0.301CS..EExtended strand (participates in β ladder)trans-114.4123.1178-174.50000109.4C27 G28 A30 V90 I92 W355 A359V17-C27 WeakPolarHBondContact O-CA 3.36Å; V17-C27 PolarHBondContact O-SG 3.32Å; V17-G28 PolarHBondContact N-O 3.07Å; V17-G28 PolarHBondContact O-N 3.36Å; V17-G28 VanDerWaalsContact O-N 3.17Å; V17-A30 HydrophobicContact CG2-CB 4.06Å; V17-V90 CarbonylContact C-O 3.5Å; V17-V90 WeakPolarHBondContact CA-O 3.32Å; V17-V90 HydrophobicContact CG2-CB 4.29Å; V17-I92 HydrophobicContact CG1-CD1 3.6Å; V17-I92 HydrophobicContact CG1-CG1 4.35Å; V17-W355 HydrophobicContact CB-CZ2 4.26Å; V17-W355 HydrophobicContact CG1-CG 4.49Å; V17-W355 PolarHBondContact O-NE1 2.98Å; V17-A359 HydrophobicContact CG2-CB 4.41Å
18I95.9Very high81.6Confident5 Ų537.7 Ų37.73%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-123122.3-179.9-49.7-178000108.5V16 L20 T25 L75 Y76 V89 V90 I91 I92V16-I18 HydrophobicContact CG1-CD1 4.3Å; V16-I18 HydrophobicContact CG1-CG1 3.92Å; I18-L20 HydrophobicContact CG2-CD2 3.84Å; I18-L20 HydrophobicContact CG2-CG 3.87Å; I18-T25 HydrophobicContact CG2-CG2 4.07Å; I18-L75 HydrophobicContact CD1-CD1 4.49Å; I18-L75 HydrophobicContact CD1-CD2 4.1Å; I18-L75 HydrophobicContact CG2-CD1 4.07Å; I18-Y76 HydrophobicContact CD1-CE2 4.16Å; I18-V89 HydrophobicContact CD1-CG1 3.95Å; I18-V89 HydrophobicContact CG1-CG1 4.24Å; I18-V90 PolarHBondContact N-O 2.87Å; I18-I91 CarbonylContact O-C 3.54Å; I18-I91 VanDerWaalsContact O-CA 3.32Å; I18-I91 WeakPolarHBondContact O-CA 3.42Å; I18-I92 PolarHBondContact O-N 2.72Å
19D95.5Very high84Confident21 Ų2136 Ų3611%0.11223%0.234CC..EExtended strand (participates in β ladder)trans-110.8105.1173-177.8-9.4000107.9T25 K26 I92 W355D19-T25 CarbonylContact O-C 3.55Å; D19-T25 VanDerWaalsContact O-CA 3.25Å; D19-T25 WeakPolarHBondContact O-CA 3.21Å; D19-T25 WeakPolarHBondContact O-CG2 3.16Å; D19-K26 HydrophobicContact CB-CB 4.15Å; D19-K26 HydrophobicContact CB-CD 4.08Å; D19-K26 PolarHBondContact N-O 2.96Å; D19-K26 PolarHBondContact O-N 3.24Å; D19-K26 WeakPolarHBondContact OD2-CD 3.24Å; D19-I92 HydrophobicContact CB-CB 4.12Å; D19-I92 HydrophobicContact CB-CD1 4.02Å; D19-W355 HydrophobicContact CB-CB 4.28Å
20L92.6Very high86.4Confident26 Ų2629.8 Ų29.814%0.13619%0.191CC..EExtended strand (participates in β ladder)trans-93.2117.1-174.5-69.5172.6000110.6I18 T25 F71 I91 F101 L105I18-L20 HydrophobicContact CG2-CD2 3.84Å; I18-L20 HydrophobicContact CG2-CG 3.87Å; L20-T25 HydrophobicContact CD2-CG2 3.78Å; L20-F71 HydrophobicContact CD2-CD1 4.43Å; L20-F71 HydrophobicContact CD2-CE1 3.84Å; L20-I91 HydrophobicContact CD1-CG2 4.41Å; L20-F101 HydrophobicContact CD1-CE1 4.38Å; L20-F101 HydrophobicContact CD1-CZ 4.4Å; L20-L105 HydrophobicContact CD1-CD1 3.22Å
21G90.1Very high88.4Confident22 Ų2229.4 Ų29.423%0.22719%0.187CC..  trans-122163.5172.200000112.9A23 F24 S41 V55G21-A23 VanDerWaalsContact C-N 3.32Å; G21-A23 PolarHBondContact O-N 3.26Å; G21-F24 WeakPolarHBondContact CA-O 3.46Å; G21-F24 PolarHBondContact N-O 3.41Å; G21-S41 WeakPolarHBondContact O-CB 3.31Å; G21-S41 PolarHBondContact O-OG 2.84Å; G21-V55 WeakPolarHBondContact O-CG2 3.41Å
22E90.2Very high90.4Very high24 Ų2427.9 Ų27.911%0.11216%0.158CC..SBendtrans-68.9-27.5178-168.5178.9-170.800113.4R53 Y143 R144E22-R53 PolarHBondContact O-NH1 3.02Å; E22-Y143 HydrophobicContact CB-CD1 4.03Å; E22-Y143 HydrophobicContact CG-CD1 4.06Å; E22-Y143 HydrophobicContact CG-CE1 4.39Å; E22-R144 WeakPolarHBondContact OE2-CB 3.16Å
23A91Very high91.6Very high12 Ų1229 Ų2910%0.09917%0.172CC..SBendtrans-98.4-54.1177.300000112.4G21 P40 S41 Y143G21-A23 VanDerWaalsContact C-N 3.32Å; G21-A23 PolarHBondContact O-N 3.26Å; A23-P40 CarbonylContact O-C 3.5Å; A23-P40 WeakPolarHBondContact O-CA 3.2Å; A23-S41 PolarHBondContact O-N 3.18Å; A23-Y143 HydrophobicContact CB-CD1 4.33Å; A23-Y143 HydrophobicContact CB-CD2 3.56Å; A23-Y143 HydrophobicContact CB-CE2 4.12Å; A23-Y143 HydrophobicContact CB-CG 3.68Å
24F93.3Very high92.2Very high76 Ų7625.8 Ų25.833%0.33317%0.167SC..EExtended strand (participates in β ladder)trans-129.6146.6-176.6-63.3-81.5000110.8G21 I38 I39 P40G21-F24 WeakPolarHBondContact CA-O 3.46Å; G21-F24 PolarHBondContact N-O 3.41Å; F24-I38 HydrophobicContact CB-CG2 4.12Å; F24-I38 HydrophobicContact CD1-CG2 4.27Å; F24-I38 HydrophobicContact CG-CG2 4.46Å; F24-I39 CarbonylContact C-O 3.46Å; F24-I39 WeakPolarHBondContact CA-O 3.34Å; F24-P40 HydrophobicContact CD1-CB 4.49Å; F24-P40 HydrophobicContact CE1-CB 4.42Å
25T95Very high92.6Very high0 Ų024.8 Ų24.80%016%0.161CC..EExtended strand (participates in β ladder)trans-113.4128.3170.2-65.90000108.7I18 D19 L20 I38 I39 S41 F71 L75I18-T25 HydrophobicContact CG2-CG2 4.07Å; D19-T25 CarbonylContact O-C 3.55Å; D19-T25 VanDerWaalsContact O-CA 3.25Å; D19-T25 WeakPolarHBondContact O-CA 3.21Å; D19-T25 WeakPolarHBondContact O-CG2 3.16Å; L20-T25 HydrophobicContact CD2-CG2 3.78Å; T25-I38 WeakPolarHBondContact O-CA 3.24Å; T25-I39 PolarHBondContact N-O 3.26Å; T25-I39 PolarHBondContact O-N 3.46Å; T25-S41 PolarHBondContact N-OG 3.46Å; T25-S41 PolarHBondContact OG1-OG 3.43Å; T25-F71 HydrophobicContact CG2-CE1 3.94Å; T25-F71 HydrophobicContact CG2-CZ 4Å; T25-F71 WeakPolarHBondContact OG1-CZ 3.01Å; T25-L75 HydrophobicContact CG2-CD1 3.95Å
26K95.3Very high92.7Very high7 Ų730.1 Ų30.13%0.0318%0.181CC..EExtended strand (participates in β ladder)trans-100.6137.3172.2-53.5120-166.2-58.80109.6D19 P35 I38 N351 W355D19-K26 HydrophobicContact CB-CB 4.15Å; D19-K26 HydrophobicContact CB-CD 4.08Å; D19-K26 PolarHBondContact N-O 2.96Å; D19-K26 PolarHBondContact O-N 3.24Å; D19-K26 WeakPolarHBondContact OD2-CD 3.24Å; K26-P35 HydrophobicContact CB-CB 4.08Å; K26-P35 HydrophobicContact CB-CG 4.33Å; K26-I38 HydrophobicContact CB-CG1 4.44Å; K26-I38 HydrophobicContact CG-CD1 4.31Å; K26-I38 HydrophobicContact CG-CG1 3.96Å; K26-I38 HydrophobicContact CG-CG2 4.2Å; K26-N351 WeakPolarHBondContact CE-O 3.42Å; K26-N351 VanDerWaalsContact CE-OD1 3.3Å; K26-N351 WeakPolarHBondContact CE-OD1 3.07Å; K26-N351 PolarHBondContact NZ-ND2 3.45Å; K26-N351 PolarHBondContact NZ-O 3.46Å; K26-N351 PolarHBondContact NZ-OD1 3.02Å; K26-W355 HydrophobicContact CB-CB 4.24Å; K26-W355 HydrophobicContact CB-CG 3.98Å; K26-W355 HydrophobicContact CD-CB 4.33Å
27C94.9Very high92.6Very high0 Ų030.9 Ų30.90%019%0.186CC..EExtended strand (participates in β ladder)trans-144.5146.2178.9-168.80000112.6V17 R36 C37 L75V17-C27 WeakPolarHBondContact O-CA 3.36Å; V17-C27 PolarHBondContact O-SG 3.32Å; C27-R36 PolarHBondContact O-N 3.21Å; C27-C37 PolarHBondContact N-O 3.36Å; C27-C37 PolarHBondContact O-N 3.35Å; C27-L75 HydrophobicContact CB-CD1 4Å; C27-L75 HydrophobicContact CB-CD2 4.3Å; C27-L75 HydrophobicContact CB-CG 4.14Å; C27-L75 WeakPolarHBondContact SG-CD2 3.4Å
28G94.7Very high92.5Very high0 Ų034.7 Ų34.70%021%0.205CC..EExtended strand (participates in β ladder)trans179.9-159.8175.400000111.2V17V17-G28 PolarHBondContact N-O 3.07Å; V17-G28 PolarHBondContact O-N 3.36Å; V17-G28 VanDerWaalsContact O-N 3.17Å
29F93.3Very high92.4Very high12 Ų1235.3 Ų35.35%0.05321%0.208CC..EExtended strand (participates in β ladder)trans-104.3150.6179.6-65.2-90000112T14 A15 V16 E32 R36 L80 V82T14-F29 WeakPolarHBondContact OG1-CD1 3.45Å; A15-F29 WeakPolarHBondContact O-CA 3.45Å; V16-F29 HydrophobicContact CG2-CD1 4.3Å; V16-F29 HydrophobicContact CG2-CE1 4.09Å; F29-E32 HydrophobicContact CB-CG 4.19Å; F29-E32 PolarHBondContact N-OE2 3.48Å; F29-E32 PolarHBondContact O-N 3.21Å; F29-R36 HydrophobicContact CD2-CG 4.49Å; F29-R36 VanDerWaalsContact CD2-NE 3.33Å; F29-L80 HydrophobicContact CD2-CD2 4.46Å; F29-L80 HydrophobicContact CE2-CD2 3.95Å; F29-L80 HydrophobicContact CZ-CB 4.37Å; F29-L80 HydrophobicContact CZ-CD2 4.28Å; F29-V82 HydrophobicContact CE1-CG1 4.24Å; F29-V82 HydrophobicContact CZ-CB 4.41Å; F29-V82 HydrophobicContact CZ-CG1 4.06Å
30A91.6Very high92.3Very high6 Ų637.4 Ų37.45%0.0522%0.223CC..THydrogen-bonded Turntrans-61.8142.616900000110.7A15 V17 E32 G362A15-A30 HydrophobicContact CB-CB 4.05Å; A15-A30 PolarHBondContact O-N 3.43Å; V17-A30 HydrophobicContact CG2-CB 4.06Å; A30-E32 VanDerWaalsContact C-N 3.29Å; A30-G362 VanDerWaalsContact CB-C 3.45Å
31G87.1Confident92.2Very high58 Ų5836.2 Ų36.260%0.59822%0.217SC*.THydrogen-bonded Turntrans84.3-9.6-175.200000115.2A359G31-A359 PolarHBondContact N-O 3.33Å; G31-A359 VanDerWaalsContact N-O 3.07Å
32E90.3Very high92.3Very high52 Ų5237.5 Ų37.524%0.24322%0.221CC..  trans-80.3145.7172.2-65.1-178.3154.500111.2F29 A30 G34 R36 W355F29-E32 HydrophobicContact CB-CG 4.19Å; F29-E32 PolarHBondContact N-OE2 3.48Å; F29-E32 PolarHBondContact O-N 3.21Å; A30-E32 VanDerWaalsContact C-N 3.29Å; E32-G34 PolarHBondContact O-N 3.07Å; E32-R36 IonicContact OE1-CZ 3.87Å; E32-R36 IonicContact OE1-NE 3.04Å; E32-R36 PolarHBondContact OE1-NE 3.18Å; E32-R36 IonicContact OE1-NH2 3.41Å; E32-R36 PolarHBondContact OE1-NH2 3.37Å; E32-R36 WeakPolarHBondContact OE2-CG 3.38Å; E32-R36 IonicContact OE2-NE 2.71Å; E32-R36 PolarHBondContact OE2-NE 3.21Å; E32-W355 HydrophobicContact CB-CH2 4.28Å
33T87.8Confident92.3Very high136 Ų13636.4 Ų36.483%0.83422%0.216SC*.SBendtrans-74.3-9.5-177.455.60000113.8
34G90.8Very high92.1Very high30 Ų3044.5 Ų44.531%0.30925%0.248SC..SBendtrans-165.6161.2179.400000111.5E32 W355E32-G34 PolarHBondContact O-N 3.07Å; G34-W355 VanDerWaalsContact CA-CZ3 3.42Å; G34-W355 VanDerWaalsContact O-CH2 3.22Å; G34-W355 WeakPolarHBondContact O-CH2 3.49Å; G34-W355 WeakPolarHBondContact O-CZ3 3.3Å
35P94.1Very high91.5Very high30 Ų3044.9 Ų44.920%0.19525%0.248CC..  trans-67.1141.9-17827.4-33.4000110.7K26 C37 I38 W355K26-P35 HydrophobicContact CB-CB 4.08Å; K26-P35 HydrophobicContact CB-CG 4.33Å; P35-C37 VanDerWaalsContact C-N 3.32Å; P35-I38 HydrophobicContact CB-CG1 4.42Å; P35-I38 HydrophobicContact CG-CD1 3.99Å; P35-I38 HydrophobicContact CG-CG1 3.88Å; P35-W355 HydrophobicContact CB-CD2 3.75Å; P35-W355 HydrophobicContact CB-CE3 4.08Å; P35-W355 HydrophobicContact CB-CG 4.24Å; P35-W355 HydrophobicContact CB-CH2 4.39Å; P35-W355 HydrophobicContact CB-CZ2 4.06Å; P35-W355 HydrophobicContact CB-CZ3 4.41Å; P35-W355 HydrophobicContact CG-CD2 4.26Å; P35-W355 HydrophobicContact CG-CE3 4.28Å
36R92.3Very high90.7Very high115 Ų11550.2 Ų50.243%0.43429%0.292SS..SBendtrans-67-36.5174.4-67.8-161.3170.9-159.71.1112.3C27 F29 E32C27-R36 PolarHBondContact O-N 3.21Å; F29-R36 HydrophobicContact CD2-CG 4.49Å; F29-R36 VanDerWaalsContact CD2-NE 3.33Å; E32-R36 IonicContact OE1-CZ 3.87Å; E32-R36 IonicContact OE1-NE 3.04Å; E32-R36 PolarHBondContact OE1-NE 3.18Å; E32-R36 IonicContact OE1-NH2 3.41Å; E32-R36 PolarHBondContact OE1-NH2 3.37Å; E32-R36 WeakPolarHBondContact OE2-CG 3.38Å; E32-R36 IonicContact OE2-NE 2.71Å; E32-R36 PolarHBondContact OE2-NE 3.21Å
37C92.7Very high89.8Confident16 Ų1653.9 Ų53.911%0.10833%0.331CS..EExtended strand (participates in β ladder)trans-140.7144.6178.964.50000111.5C27 P35 I39 H79C27-C37 PolarHBondContact N-O 3.36Å; C27-C37 PolarHBondContact O-N 3.35Å; P35-C37 VanDerWaalsContact C-N 3.32Å; C37-I39 HydrophobicContact CB-CG2 4.38Å; C37-H79 HydrophobicContact CB-CB 4.14Å; C37-H79 VanDerWaalsContact SG-CB 3.52Å
38I94.6Very high89.2Confident80 Ų8057.5 Ų57.541%0.4135%0.349SS..EExtended strand (participates in β ladder)trans-123.1112.6167.3-55.2178.2000105.3F24 T25 K26 P35F24-I38 HydrophobicContact CB-CG2 4.12Å; F24-I38 HydrophobicContact CD1-CG2 4.27Å; F24-I38 HydrophobicContact CG-CG2 4.46Å; T25-I38 WeakPolarHBondContact O-CA 3.24Å; K26-I38 HydrophobicContact CB-CG1 4.44Å; K26-I38 HydrophobicContact CG-CD1 4.31Å; K26-I38 HydrophobicContact CG-CG1 3.96Å; K26-I38 HydrophobicContact CG-CG2 4.2Å; P35-I38 HydrophobicContact CB-CG1 4.42Å; P35-I38 HydrophobicContact CG-CD1 3.99Å; P35-I38 HydrophobicContact CG-CG1 3.88Å
39I93.5Very high88.4Confident18 Ų1863.9 Ų63.99%0.09239%0.391CS..EExtended strand (participates in β ladder)trans-117.1148-176.861174.4000110.1F24 T25 C37 F71 H79F24-I39 CarbonylContact C-O 3.46Å; F24-I39 WeakPolarHBondContact CA-O 3.34Å; T25-I39 PolarHBondContact N-O 3.26Å; T25-I39 PolarHBondContact O-N 3.46Å; C37-I39 HydrophobicContact CB-CG2 4.38Å; I39-F71 HydrophobicContact CD1-CE2 3.68Å; I39-F71 HydrophobicContact CD1-CZ 3.72Å; I39-F71 HydrophobicContact CG1-CE2 4.32Å; I39-F71 HydrophobicContact CG1-CZ 4.13Å; I39-H79 VanDerWaalsContact CG2-CE1 3.42Å; I39-H79 WeakPolarHBondContact CG2-CE1 3.38Å
40P92.6Very high87.9Confident66 Ų6671.2 Ų71.243%0.42942%0.423SS..EExtended strand (participates in β ladder)trans-63.7140.2170.228.9-34.5000109.3A23 F24 V42A23-P40 CarbonylContact O-C 3.5Å; A23-P40 WeakPolarHBondContact O-CA 3.2Å; F24-P40 HydrophobicContact CD1-CB 4.49Å; F24-P40 HydrophobicContact CE1-CB 4.42Å; P40-V42 HydrophobicContact CB-CG2 3.98Å; P40-V42 HydrophobicContact CG-CG2 4.03Å; P40-V42 PolarHBondContact O-N 2.77Å
41S91.9Very high87.6Confident0 Ų074.9 Ų74.90%045%0.446CS..SBendtrans-79.251.9-177.8-59.90000111.8G21 A23 T25 R53 V54G21-S41 WeakPolarHBondContact O-CB 3.31Å; G21-S41 PolarHBondContact O-OG 2.84Å; A23-S41 PolarHBondContact O-N 3.18Å; T25-S41 PolarHBondContact N-OG 3.46Å; T25-S41 PolarHBondContact OG1-OG 3.43Å; S41-R53 WeakPolarHBondContact O-CA 3.18Å; S41-V54 PolarHBondContact O-N 3.21Å
42V91.5Very high87.7Confident50 Ų5073.3 Ų73.330%0.30342%0.424SS..EExtended strand (participates in β ladder)trans-129.4146.9-176.7-57.80000111.2P40 P51 V52 R53P40-V42 HydrophobicContact CB-CG2 3.98Å; P40-V42 HydrophobicContact CG-CG2 4.03Å; P40-V42 PolarHBondContact O-N 2.77Å; V42-P51 HydrophobicContact CB-CB 4.11Å; V42-P51 HydrophobicContact CG2-CB 4.2Å; V42-V52 CarbonylContact C-O 3.55Å; V42-V52 VanDerWaalsContact CA-O 3.23Å; V42-V52 WeakPolarHBondContact CA-O 3.45Å; V42-R53 HydrophobicContact CG1-CG 4.16Å
43I89.9Confident87.7Confident1 Ų172.6 Ų72.61%0.00542%0.42CS..EExtended strand (participates in β ladder)trans-115141.6172.352.3170000109.8V52 V54 Y67 F71I43-V52 HydrophobicContact CG1-CB 4.21Å; I43-V52 PolarHBondContact N-O 2.66Å; I43-V52 PolarHBondContact O-N 3.32Å; I43-V54 HydrophobicContact CB-CG2 4.32Å; I43-V54 HydrophobicContact CG1-CG2 4.1Å; I43-V54 HydrophobicContact CG2-CG2 3.6Å; I43-Y67 HydrophobicContact CD1-CD1 3.55Å; I43-Y67 HydrophobicContact CD1-CE1 4.17Å; I43-Y67 HydrophobicContact CD1-CG 3.89Å; I43-F71 HydrophobicContact CG2-CB 3.99Å; I43-F71 HydrophobicContact CG2-CD2 4.07Å
44K86.6Confident87.7Confident182 Ų18266.1 Ų66.179%0.79138%0.38SS*.  trans-108.9107.3175.9-172177.3-177.7176.90108.6
45R81.1Confident87.6Confident83 Ų8364.8 Ų64.831%0.31337%0.366SS..  trans-93.4141.2177.2-76.2-173.6139.2-163.2-6.2111.8G47 M48 S66 E70R45-G47 PolarHBondContact O-N 3.06Å; R45-M48 PolarHBondContact O-N 3.44Å; R45-S66 PolarHBondContact NH2-OG 3.48Å; R45-E70 WeakPolarHBondContact CG-OE1 3.34Å; R45-E70 IonicContact CZ-OE2 3.17Å; R45-E70 IonicContact NE-OE2 3.49Å; R45-E70 PolarHBondContact NE-OE2 3.18Å; R45-E70 IonicContact NH2-OE2 2.95Å; R45-E70 PolarHBondContact NH2-OE2 2.83Å
46A78.3Confident87.2Confident112 Ų11266.2 Ų66.293%0.92637%0.37SS*.THydrogen-bonded Turntrans-60.8124.4169.600000109.2
47G77.2Confident86.9Confident84 Ų8463.5 Ų63.587%0.86636%0.36SS*.THydrogen-bonded Turntrans97.8-9-178.300000115.7R45R45-G47 PolarHBondContact O-N 3.06Å
48M82.2Confident86.6Confident76 Ų7670.3 Ų70.337%0.37440%0.395SS..  trans-104.4129.1169.3-70.4-168.7-153.800111.2R45 V52R45-M48 PolarHBondContact O-N 3.44Å; M48-V52 HydrophobicContact SD-CG2 3.48Å; M48-V52 WeakPolarHBondContact SD-CG2 3.47Å
49P77.6Confident86.3Confident134 Ų13467.8 Ų67.887%0.8738%0.383SS*.SBendtrans-72.9-29.2-179.327.6-33.1000112.6
50K81.6Confident86.3Confident167 Ų16771.5 Ų71.573%0.72640%0.402SS*.SBendtrans-107.7142.4-179.6-67.2-173.4179-175.70111.2
51P86.5Confident86.2Confident83 Ų8371 Ų7154%0.53940%0.399SS..PPolyproline II helixtrans-65.5142.3172.429.7-34.2000110.2V42V42-P51 HydrophobicContact CB-CB 4.11Å; V42-P51 HydrophobicContact CG2-CB 4.2Å
52V88.2Confident86.2Confident24 Ų2478 Ų7815%0.14543%0.431CS..EExtended strand (participates in β ladder)trans-102132.9-178.9-178.50000109.2V42 I43 M48 Y67V42-V52 CarbonylContact C-O 3.55Å; V42-V52 VanDerWaalsContact CA-O 3.23Å; V42-V52 WeakPolarHBondContact CA-O 3.45Å; I43-V52 HydrophobicContact CG1-CB 4.21Å; I43-V52 PolarHBondContact N-O 2.66Å; I43-V52 PolarHBondContact O-N 3.32Å; M48-V52 HydrophobicContact SD-CG2 3.48Å; M48-V52 WeakPolarHBondContact SD-CG2 3.47Å; V52-Y67 HydrophobicContact CG1-CE2 3.99Å
53R90Very high86.2Confident38 Ų3879.5 Ų79.514%0.14344%0.435CS..EExtended strand (participates in β ladder)trans-69.7136.4174.4-69.5179.1178.4-102.82.5110.6E22 S41 V42 Q56 Y143 E204E22-R53 PolarHBondContact O-NH1 3.02Å; S41-R53 WeakPolarHBondContact O-CA 3.18Å; V42-R53 HydrophobicContact CG1-CG 4.16Å; R53-Q56 HydrophobicContact CB-CG 4.4Å; R53-Q56 WeakPolarHBondContact O-CG 3.09Å; R53-Q56 PolarHBondContact O-NE2 2.82Å; R53-Y143 PolarHBondContact NH2-OH 3.22Å; R53-E204 IonicContact CZ-OE2 3.1Å; R53-E204 IonicContact NE-OE2 3.57Å; R53-E204 PolarHBondContact NE-OE2 2.87Å; R53-E204 IonicContact NH2-OE1 2.69Å; R53-E204 PolarHBondContact NH2-OE1 3.37Å; R53-E204 IonicContact NH2-OE2 2.8Å; R53-E204 PolarHBondContact NH2-OE2 3.42Å
54V89.1Confident86.3Confident0 Ų079.5 Ų79.50%044%0.435CS..SBendtrans-82.2-44.6-176.5178.30000111.6S41 I43 Q56 L68 F71S41-V54 PolarHBondContact O-N 3.21Å; I43-V54 HydrophobicContact CB-CG2 4.32Å; I43-V54 HydrophobicContact CG1-CG2 4.1Å; I43-V54 HydrophobicContact CG2-CG2 3.6Å; V54-Q56 PolarHBondContact O-N 3.13Å; V54-Q56 VanDerWaalsContact O-N 3.14Å; V54-L68 HydrophobicContact CG1-CD2 3.96Å; V54-F71 HydrophobicContact CB-CB 4.39Å; V54-F71 HydrophobicContact CB-CD2 4.5Å; V54-F71 HydrophobicContact CB-CG 4.25Å; V54-F71 HydrophobicContact CG1-CB 3.74Å; V54-F71 HydrophobicContact CG1-CD1 3.99Å; V54-F71 HydrophobicContact CG1-CG 3.88Å; V54-F71 HydrophobicContact CG2-CB 3.81Å; V54-F71 HydrophobicContact CG2-CD1 4.49Å; V54-F71 HydrophobicContact CG2-CD2 3.68Å; V54-F71 HydrophobicContact CG2-CE2 4.35Å; V54-F71 HydrophobicContact CG2-CG 3.75Å
55V87.6Confident86.6Confident2 Ų273.5 Ų73.51%0.01241%0.407CS..  trans-83.994.4-179.6-175.60000108.1G21 Y57 F101G21-V55 WeakPolarHBondContact O-CG2 3.41Å; V55-Y57 HydrophobicContact CG1-CE1 4.04Å; V55-F101 HydrophobicContact CB-CE2 4.48Å; V55-F101 HydrophobicContact CG1-CE2 4.07Å; V55-F101 HydrophobicContact CG1-CZ 4.07Å; V55-F101 HydrophobicContact CG2-CZ 4.18Å
56Q86.9Confident87.3Confident59 Ų5971.1 Ų71.128%0.27640%0.403SS..  trans-124.1149.2175.2-60.4-174.911.600109.9R53 V54 I59R53-Q56 HydrophobicContact CB-CG 4.4Å; R53-Q56 WeakPolarHBondContact O-CG 3.09Å; R53-Q56 PolarHBondContact O-NE2 2.82Å; V54-Q56 PolarHBondContact O-N 3.13Å; V54-Q56 VanDerWaalsContact O-N 3.14Å; Q56-I59 HydrophobicContact CB-CG2 4.42Å
57Y85.6Confident88Confident58 Ų5866.3 Ų66.323%0.22736%0.362CS..SBendtrans-113.5150.5177.5-49.4-52.7000109.5V55 P98 F101 R144V55-Y57 HydrophobicContact CG1-CE1 4.04Å; Y57-P98 HydrophobicContact CD1-CG 3.75Å; Y57-P98 HydrophobicContact CE1-CG 4.17Å; Y57-P98 HydrophobicContact CG-CG 4.04Å; Y57-F101 HydrophobicContact CD1-CB 4.46Å; Y57-F101 HydrophobicContact CE1-CB 4.49Å; Y57-F101 HydrophobicContact CE1-CD2 4.43Å; Y57-F101 HydrophobicContact CE1-CG 4.36Å; Y57-R144 VanDerWaalsContact CD2-NH1 3.32Å
58N85.3Confident88.8Confident159 Ų15962.3 Ų62.385%0.8532%0.32SS*.SBendtrans64.137.4-179.3-51.4-25000114.8
59I89.4Confident89.4Confident28 Ų2862 Ų6214%0.14432%0.317CS..  trans-108.5161.9174.2-172163.2000110.7Q56 E63 L64 Y67 H100Q56-I59 HydrophobicContact CB-CG2 4.42Å; I59-E63 HydrophobicContact CD1-CB 4.42Å; I59-E63 HydrophobicContact CD1-CG 4.01Å; I59-E63 HydrophobicContact CG1-CB 4.34Å; I59-E63 HydrophobicContact CG1-CG 4.42Å; I59-L64 HydrophobicContact CG2-CB 3.77Å; I59-L64 HydrophobicContact CG2-CD1 4.1Å; I59-L64 HydrophobicContact CG2-CD2 4.19Å; I59-L64 HydrophobicContact CG2-CG 4.23Å; I59-Y67 HydrophobicContact CD1-CD2 4.46Å; I59-Y67 HydrophobicContact CD1-CE2 3.95Å; I59-H100 PolarHBondContact O-NE2 3.12Å
60N92.9Very high90.2Very high95 Ų9558 Ų5851%0.50829%0.286SS..  trans-57.1140.6174.8-170.819.2000111.6E62 E63 L64N60-E62 PolarHBondContact O-N 3.12Å; N60-E63 HydrophobicContact CB-CB 4.27Å; N60-E63 PolarHBondContact O-N 3.4Å; N60-L64 WeakPolarHBondContact O-CB 3.45Å; N60-L64 PolarHBondContact O-N 3.28Å
61T90.3Very high90.8Very high57 Ų5750.1 Ų50.135%0.3525%0.252SS..Hα-helixtrans-59-45.3-176.652.70000112.6Y65 H100T61-Y65 VanDerWaalsContact O-CB 3.23Å; T61-Y65 WeakPolarHBondContact O-CB 3.32Å; T61-Y65 PolarHBondContact O-N 3.23Å; T61-H100 WeakPolarHBondContact CG2-CE1 3.33Å
62E91.8Very high91.2Very high145 Ų14546.4 Ų46.468%0.67823%0.228SC*.Hα-helixtrans-69.8-36-176.3-62.2-173.516900112.2N60 Y65 S66N60-E62 PolarHBondContact O-N 3.12Å; E62-Y65 PolarHBondContact O-N 2.91Å; E62-S66 WeakPolarHBondContact O-CB 3.31Å; E62-S66 PolarHBondContact O-N 3.49Å
63E91.3Very high91.5Very high82 Ų8249 Ų4938%0.38324%0.238SC..Hα-helixtrans-68.7-47.6176.9-170177.7177.300110.6I59 N60 Y65 S66 Y67I59-E63 HydrophobicContact CD1-CB 4.42Å; I59-E63 HydrophobicContact CD1-CG 4.01Å; I59-E63 HydrophobicContact CG1-CB 4.34Å; I59-E63 HydrophobicContact CG1-CG 4.42Å; N60-E63 HydrophobicContact CB-CB 4.27Å; N60-E63 PolarHBondContact O-N 3.4Å; E63-Y65 VanDerWaalsContact C-N 3.29Å; E63-Y65 PolarHBondContact O-N 3.01Å; E63-S66 VanDerWaalsContact O-CB 3.32Å; E63-S66 WeakPolarHBondContact O-CB 3.43Å; E63-S66 PolarHBondContact O-N 3.43Å; E63-S66 VanDerWaalsContact O-N 3.09Å; E63-Y67 HydrophobicContact CG-CD2 4.41Å; E63-Y67 HydrophobicContact CG-CE1 4.15Å; E63-Y67 HydrophobicContact CG-CE2 3.76Å; E63-Y67 PolarHBondContact O-N 3.39Å; E63-Y67 VanDerWaalsContact OE1-CZ 3.3Å; E63-Y67 PolarHBondContact OE1-OH 3Å
64L92.4Very high91.7Very high1 Ų150 Ų501%0.00525%0.246CC..Hα-helixtrans-59.4-41.5174.3-175.859.8000112I59 N60 S66 Y67 L68 F101 T104I59-L64 HydrophobicContact CG2-CB 3.77Å; I59-L64 HydrophobicContact CG2-CD1 4.1Å; I59-L64 HydrophobicContact CG2-CD2 4.19Å; I59-L64 HydrophobicContact CG2-CG 4.23Å; N60-L64 WeakPolarHBondContact O-CB 3.45Å; N60-L64 PolarHBondContact O-N 3.28Å; L64-S66 VanDerWaalsContact C-N 3.3Å; L64-S66 PolarHBondContact O-N 3.06Å; L64-Y67 PolarHBondContact O-N 3.2Å; L64-L68 HydrophobicContact CD1-CD1 4.16Å; L64-L68 HydrophobicContact CD1-CG 4.27Å; L64-L68 HydrophobicContact CG-CD1 3.94Å; L64-L68 HydrophobicContact CG-CG 4.47Å; L64-L68 WeakPolarHBondContact O-CB 3.47Å; L64-L68 WeakPolarHBondContact O-CG 3.41Å; L64-L68 PolarHBondContact O-N 3.41Å; L64-F101 HydrophobicContact CD1-CD2 4.17Å; L64-F101 HydrophobicContact CD1-CE2 4.16Å; L64-F101 HydrophobicContact CD2-CD2 4.01Å; L64-T104 HydrophobicContact CB-CG2 4.16Å; L64-T104 HydrophobicContact CD2-CG2 4.01Å; L64-T104 HydrophobicContact CG-CG2 3.9Å
65Y94.5Very high91.9Very high56 Ų5650 Ų5022%0.2225%0.246CC..Hα-helixtrans-59.1-42.9175-177.3-89000111.3T61 E62 E63 K69 T104 R107 V108T61-Y65 VanDerWaalsContact O-CB 3.23Å; T61-Y65 WeakPolarHBondContact O-CB 3.32Å; T61-Y65 PolarHBondContact O-N 3.23Å; E62-Y65 PolarHBondContact O-N 2.91Å; E63-Y65 VanDerWaalsContact C-N 3.29Å; E63-Y65 PolarHBondContact O-N 3.01Å; Y65-K69 VanDerWaalsContact O-CB 3.23Å; Y65-K69 WeakPolarHBondContact O-CB 3.41Å; Y65-K69 PolarHBondContact O-N 3.23Å; Y65-T104 HydrophobicContact CD2-CG2 4.45Å; Y65-R107 HydrophobicContact CD2-CG 4.33Å; Y65-R107 HydrophobicContact CE2-CB 4.3Å; Y65-R107 HydrophobicContact CE2-CG 3.9Å; Y65-V108 HydrophobicContact CD2-CB 4.43Å; Y65-V108 HydrophobicContact CD2-CG2 3.27Å; Y65-V108 HydrophobicContact CE2-CB 4.18Å; Y65-V108 HydrophobicContact CE2-CG2 3.43Å; Y65-V108 VanDerWaalsContact CE2-CG2 3.43Å; Y65-V108 HydrophobicContact CG-CG2 3.9Å
66S93.9Very high92.1Very high33 Ų3349.9 Ų49.923%0.23125%0.245CC..Hα-helixtrans-63.5-45.2176.6-159.70000112R45 E62 E63 L64 K69 E70R45-S66 PolarHBondContact NH2-OG 3.48Å; E62-S66 WeakPolarHBondContact O-CB 3.31Å; E62-S66 PolarHBondContact O-N 3.49Å; E63-S66 VanDerWaalsContact O-CB 3.32Å; E63-S66 WeakPolarHBondContact O-CB 3.43Å; E63-S66 PolarHBondContact O-N 3.43Å; E63-S66 VanDerWaalsContact O-N 3.09Å; L64-S66 VanDerWaalsContact C-N 3.3Å; L64-S66 PolarHBondContact O-N 3.06Å; S66-K69 PolarHBondContact O-N 3.19Å; S66-E70 WeakPolarHBondContact O-CB 3.46Å; S66-E70 PolarHBondContact O-N 3.22Å
67Y93.6Very high92.4Very high12 Ų1251.5 Ų51.55%0.04725%0.252CS..Hα-helixtrans-65.1-45.9179.2-66.3-11.9000112.5I43 V52 I59 E63 L64 K69 E70 F71I43-Y67 HydrophobicContact CD1-CD1 3.55Å; I43-Y67 HydrophobicContact CD1-CE1 4.17Å; I43-Y67 HydrophobicContact CD1-CG 3.89Å; V52-Y67 HydrophobicContact CG1-CE2 3.99Å; I59-Y67 HydrophobicContact CD1-CD2 4.46Å; I59-Y67 HydrophobicContact CD1-CE2 3.95Å; E63-Y67 HydrophobicContact CG-CD2 4.41Å; E63-Y67 HydrophobicContact CG-CE1 4.15Å; E63-Y67 HydrophobicContact CG-CE2 3.76Å; E63-Y67 PolarHBondContact O-N 3.39Å; E63-Y67 VanDerWaalsContact OE1-CZ 3.3Å; E63-Y67 PolarHBondContact OE1-OH 3Å; L64-Y67 PolarHBondContact O-N 3.2Å; Y67-K69 VanDerWaalsContact C-N 3.35Å; Y67-K69 PolarHBondContact O-N 2.92Å; Y67-E70 PolarHBondContact O-N 3.45Å; Y67-F71 VanDerWaalsContact O-CB 3.32Å; Y67-F71 WeakPolarHBondContact O-CB 3.37Å; Y67-F71 PolarHBondContact O-N 3.09Å
68L94.5Very high92.6Very high0 Ų058 Ų580%028%0.275CS..Hα-helixtrans-63.8-40.4176.6-74.8169.8000111.6V54 L64 F71 I72 F101 T104 L105 V108V54-L68 HydrophobicContact CG1-CD2 3.96Å; L64-L68 HydrophobicContact CD1-CD1 4.16Å; L64-L68 HydrophobicContact CD1-CG 4.27Å; L64-L68 HydrophobicContact CG-CD1 3.94Å; L64-L68 HydrophobicContact CG-CG 4.47Å; L64-L68 WeakPolarHBondContact O-CB 3.47Å; L64-L68 WeakPolarHBondContact O-CG 3.41Å; L64-L68 PolarHBondContact O-N 3.41Å; L68-F71 PolarHBondContact O-N 3.35Å; L68-I72 VanDerWaalsContact O-CB 3.29Å; L68-I72 WeakPolarHBondContact O-CB 3.39Å; L68-I72 WeakPolarHBondContact O-CG1 3.46Å; L68-I72 PolarHBondContact O-N 3.09Å; L68-F101 HydrophobicContact CD1-CE2 4.34Å; L68-F101 HydrophobicContact CD2-CE2 4.14Å; L68-F101 HydrophobicContact CD2-CZ 4.03Å; L68-T104 HydrophobicContact CD1-CG2 4.01Å; L68-L105 HydrophobicContact CD1-CB 4.16Å; L68-V108 HydrophobicContact CB-CG2 3.99Å
69K95.2Very high92.8Very high68 Ų6853.1 Ų53.130%0.29625%0.248SC..Hα-helixtrans-59.9-49.5176.2-172.6-17078.1-179.70111.6Y65 S66 Y67 H73 V108 Y112Y65-K69 VanDerWaalsContact O-CB 3.23Å; Y65-K69 WeakPolarHBondContact O-CB 3.41Å; Y65-K69 PolarHBondContact O-N 3.23Å; S66-K69 PolarHBondContact O-N 3.19Å; Y67-K69 VanDerWaalsContact C-N 3.35Å; Y67-K69 PolarHBondContact O-N 2.92Å; K69-H73 VanDerWaalsContact O-CB 3.25Å; K69-H73 WeakPolarHBondContact O-CB 3.43Å; K69-H73 PolarHBondContact O-N 3.37Å; K69-V108 HydrophobicContact CB-CG1 4.38Å; K69-Y112 HydrophobicContact CD-CD1 4.1Å; K69-Y112 HydrophobicContact CD-CD2 3.87Å; K69-Y112 HydrophobicContact CD-CE1 3.93Å; K69-Y112 HydrophobicContact CD-CE2 3.71Å; K69-Y112 HydrophobicContact CD-CG 4.07Å; K69-Y112 HydrophobicContact CG-CD1 3.61Å; K69-Y112 HydrophobicContact CG-CD2 4.31Å; K69-Y112 HydrophobicContact CG-CE1 3.5Å; K69-Y112 VanDerWaalsContact CG-CE1 3.5Å; K69-Y112 HydrophobicContact CG-CE2 4.24Å; K69-Y112 HydrophobicContact CG-CG 4.01Å
70E94Very high92.9Very high50 Ų5052 Ų5223%0.23424%0.242CC..Hα-helixtrans-62.5-45.1179.9-168.7174.5149.400111.1R45 S66 Y67 H73 I74R45-E70 WeakPolarHBondContact CG-OE1 3.34Å; R45-E70 IonicContact CZ-OE2 3.17Å; R45-E70 IonicContact NE-OE2 3.49Å; R45-E70 PolarHBondContact NE-OE2 3.18Å; R45-E70 IonicContact NH2-OE2 2.95Å; R45-E70 PolarHBondContact NH2-OE2 2.83Å; S66-E70 WeakPolarHBondContact O-CB 3.46Å; S66-E70 PolarHBondContact O-N 3.22Å; Y67-E70 PolarHBondContact O-N 3.45Å; E70-H73 PolarHBondContact O-N 3.31Å; E70-I74 WeakPolarHBondContact O-CG1 3.34Å; E70-I74 PolarHBondContact O-N 2.86Å; E70-I74 VanDerWaalsContact O-N 3.12Å
71F94.9Very high92.9Very high3 Ų353 Ų531%0.01325%0.246CC..Hα-helixtrans-66.1-47.8179.8-175.8-112.1000113.3L20 T25 I39 I43 V54 Y67 L68 H73 I74 L75L20-F71 HydrophobicContact CD2-CD1 4.43Å; L20-F71 HydrophobicContact CD2-CE1 3.84Å; T25-F71 HydrophobicContact CG2-CE1 3.94Å; T25-F71 HydrophobicContact CG2-CZ 4Å; T25-F71 WeakPolarHBondContact OG1-CZ 3.01Å; I39-F71 HydrophobicContact CD1-CE2 3.68Å; I39-F71 HydrophobicContact CD1-CZ 3.72Å; I39-F71 HydrophobicContact CG1-CE2 4.32Å; I39-F71 HydrophobicContact CG1-CZ 4.13Å; I43-F71 HydrophobicContact CG2-CB 3.99Å; I43-F71 HydrophobicContact CG2-CD2 4.07Å; V54-F71 HydrophobicContact CB-CB 4.39Å; V54-F71 HydrophobicContact CB-CD2 4.5Å; V54-F71 HydrophobicContact CB-CG 4.25Å; V54-F71 HydrophobicContact CG1-CB 3.74Å; V54-F71 HydrophobicContact CG1-CD1 3.99Å; V54-F71 HydrophobicContact CG1-CG 3.88Å; V54-F71 HydrophobicContact CG2-CB 3.81Å; V54-F71 HydrophobicContact CG2-CD1 4.49Å; V54-F71 HydrophobicContact CG2-CD2 3.68Å; V54-F71 HydrophobicContact CG2-CE2 4.35Å; V54-F71 HydrophobicContact CG2-CG 3.75Å; Y67-F71 VanDerWaalsContact O-CB 3.32Å; Y67-F71 WeakPolarHBondContact O-CB 3.37Å; Y67-F71 PolarHBondContact O-N 3.09Å; L68-F71 PolarHBondContact O-N 3.35Å; F71-H73 VanDerWaalsContact C-N 3.27Å; F71-H73 PolarHBondContact O-N 3.28Å; F71-I74 PolarHBondContact O-N 3.5Å; F71-L75 HydrophobicContact CE1-CD1 4.35Å; F71-L75 WeakPolarHBondContact O-CB 3.43Å; F71-L75 PolarHBondContact O-N 3.34Å
72I94.8Very high92.9Very high5 Ų551.4 Ų51.43%0.02624%0.237CC..Hα-helixtrans-65-35.1178.8-66.3169.8000110.3L68 L75 Y76 V108 L109 F113L68-I72 VanDerWaalsContact O-CB 3.29Å; L68-I72 WeakPolarHBondContact O-CB 3.39Å; L68-I72 WeakPolarHBondContact O-CG1 3.46Å; L68-I72 PolarHBondContact O-N 3.09Å; I72-L75 PolarHBondContact O-N 2.96Å; I72-Y76 HydrophobicContact CG2-CD2 3.52Å; I72-Y76 HydrophobicContact CG2-CE2 3.63Å; I72-Y76 WeakPolarHBondContact O-CD2 3.22Å; I72-Y76 PolarHBondContact O-N 3.22Å; I72-V108 HydrophobicContact CD1-CG1 3.92Å; I72-L109 HydrophobicContact CD1-CD2 4.23Å; I72-F113 HydrophobicContact CB-CD2 4.48Å; I72-F113 HydrophobicContact CB-CE2 3.6Å; I72-F113 HydrophobicContact CB-CZ 3.84Å; I72-F113 HydrophobicContact CD1-CE2 4.47Å; I72-F113 HydrophobicContact CG2-CD2 3.81Å; I72-F113 HydrophobicContact CG2-CE1 4.22Å; I72-F113 HydrophobicContact CG2-CE2 3.3Å; I72-F113 HydrophobicContact CG2-CG 4.47Å; I72-F113 HydrophobicContact CG2-CZ 3.53Å
73H94.3Very high92.9Very high79 Ų7948.9 Ų48.937%0.36623%0.228SC..Hα-helixtrans-60.9-47.4174.5-17293.1000111.3K69 E70 F71 L75 Y76 F77 F113K69-H73 VanDerWaalsContact O-CB 3.25Å; K69-H73 WeakPolarHBondContact O-CB 3.43Å; K69-H73 PolarHBondContact O-N 3.37Å; E70-H73 PolarHBondContact O-N 3.31Å; F71-H73 VanDerWaalsContact C-N 3.27Å; F71-H73 PolarHBondContact O-N 3.28Å; H73-L75 VanDerWaalsContact C-N 3.31Å; H73-L75 PolarHBondContact O-N 2.93Å; H73-Y76 PolarHBondContact O-N 3.34Å; H73-F77 AromaticContact CD2-CD2 3.82Å; H73-F77 AromaticContact CE1-CD2 3.31Å; H73-F77 WeakPolarHBondContact CE1-CD2 3.2Å; H73-F77 AromaticContact CE1-CE2 3.34Å; H73-F77 WeakPolarHBondContact CE1-CE2 3.34Å; H73-F77 AromaticContact CG-CD2 3.74Å; H73-F77 AromaticContact ND1-CD2 3.43Å; H73-F77 WeakPolarHBondContact ND1-CD2 3.48Å; H73-F77 AromaticContact ND1-CE2 3.37Å; H73-F77 WeakPolarHBondContact ND1-CE2 3.44Å; H73-F77 AromaticContact NE2-CD2 3.56Å; H73-F77 WeakPolarHBondContact O-CB 3.05Å; H73-F77 VanDerWaalsContact O-CD2 3.32Å; H73-F77 WeakPolarHBondContact O-CD2 3.34Å; H73-F77 PolarHBondContact O-N 2.91Å; H73-F113 HydrophobicContact CB-CZ 4.16Å
74I93Very high92.9Very high58 Ų5845.3 Ų45.330%0.29721%0.212SC..Hα-helixtrans-59.5-44.5174.8-66165000110.5E70 F71 R78E70-I74 WeakPolarHBondContact O-CG1 3.34Å; E70-I74 PolarHBondContact O-N 2.86Å; E70-I74 VanDerWaalsContact O-N 3.12Å; F71-I74 PolarHBondContact O-N 3.5Å; I74-R78 HydrophobicContact CG2-CB 4.27Å; I74-R78 WeakPolarHBondContact O-CA 3.39Å; I74-R78 WeakPolarHBondContact O-CB 3.42Å; I74-R78 PolarHBondContact O-N 2.79Å
75L93.5Very high92.9Very high0 Ų052.1 Ų52.10%024%0.238CC..Iπ-helixtrans-60.6-49-178.7-177.8157.1000112.3I18 T25 C27 F71 I72 H73 H79 L80I18-L75 HydrophobicContact CD1-CD1 4.49Å; I18-L75 HydrophobicContact CD1-CD2 4.1Å; I18-L75 HydrophobicContact CG2-CD1 4.07Å; T25-L75 HydrophobicContact CG2-CD1 3.95Å; C27-L75 HydrophobicContact CB-CD1 4Å; C27-L75 HydrophobicContact CB-CD2 4.3Å; C27-L75 HydrophobicContact CB-CG 4.14Å; C27-L75 WeakPolarHBondContact SG-CD2 3.4Å; F71-L75 HydrophobicContact CE1-CD1 4.35Å; F71-L75 WeakPolarHBondContact O-CB 3.43Å; F71-L75 PolarHBondContact O-N 3.34Å; I72-L75 PolarHBondContact O-N 2.96Å; H73-L75 VanDerWaalsContact C-N 3.31Å; H73-L75 PolarHBondContact O-N 2.93Å; L75-H79 WeakPolarHBondContact O-CB 3.33Å; L75-H79 PolarHBondContact O-N 2.98Å; L75-L80 HydrophobicContact CD2-CD1 3.67Å; L75-L80 HydrophobicContact CD2-CG 4.2Å; L75-L80 PolarHBondContact O-N 3.04Å; L75-L80 VanDerWaalsContact O-N 3.12Å
76Y93.1Very high92.6Very high0 Ų053.1 Ų53.10%025%0.247CC..Iπ-helixtrans-70.9-48.4179.6-85.4-86.8000113.1V16 I18 I72 H73 L80 L81 V82 P84 V89V16-Y76 HydrophobicContact CG1-CE1 4.27Å; V16-Y76 HydrophobicContact CG2-CE1 4.03Å; I18-Y76 HydrophobicContact CD1-CE2 4.16Å; I72-Y76 HydrophobicContact CG2-CD2 3.52Å; I72-Y76 HydrophobicContact CG2-CE2 3.63Å; I72-Y76 WeakPolarHBondContact O-CD2 3.22Å; I72-Y76 PolarHBondContact O-N 3.22Å; H73-Y76 PolarHBondContact O-N 3.34Å; Y76-L80 HydrophobicContact CD1-CD1 3.82Å; Y76-L80 HydrophobicContact CE1-CD1 3.86Å; Y76-L80 HydrophobicContact CG-CD1 4.27Å; Y76-L80 CarbonylContact O-C 3.57Å; Y76-L80 PolarHBondContact O-N 2.9Å; Y76-L81 PolarHBondContact O-N 3.17Å; Y76-V82 HydrophobicContact CD1-CG1 3.99Å; Y76-V82 HydrophobicContact CE1-CG1 4.31Å; Y76-P84 HydrophobicContact CD1-CB 3.83Å; Y76-P84 HydrophobicContact CD1-CG 4.29Å; Y76-P84 HydrophobicContact CD2-CB 4.35Å; Y76-P84 HydrophobicContact CE1-CB 3.62Å; Y76-P84 HydrophobicContact CE2-CB 4.18Å; Y76-P84 HydrophobicContact CG-CB 4.19Å; Y76-P84 HydrophobicContact CG-CG 4.37Å; Y76-V89 WeakPolarHBondContact OH-CG2 3.41Å
77F92.1Very high92.3Very high93 Ų9352.5 Ų52.541%0.40824%0.239SC..Iπ-helixtrans-85.1-26.6-170.5-70.2-73.4000114H73 L81H73-F77 AromaticContact CD2-CD2 3.82Å; H73-F77 AromaticContact CE1-CD2 3.31Å; H73-F77 WeakPolarHBondContact CE1-CD2 3.2Å; H73-F77 AromaticContact CE1-CE2 3.34Å; H73-F77 WeakPolarHBondContact CE1-CE2 3.34Å; H73-F77 AromaticContact CG-CD2 3.74Å; H73-F77 AromaticContact ND1-CD2 3.43Å; H73-F77 WeakPolarHBondContact ND1-CD2 3.48Å; H73-F77 AromaticContact ND1-CE2 3.37Å; H73-F77 WeakPolarHBondContact ND1-CE2 3.44Å; H73-F77 AromaticContact NE2-CD2 3.56Å; H73-F77 WeakPolarHBondContact O-CB 3.05Å; H73-F77 VanDerWaalsContact O-CD2 3.32Å; H73-F77 WeakPolarHBondContact O-CD2 3.34Å; H73-F77 PolarHBondContact O-N 2.91Å; F77-L81 VanDerWaalsContact O-CD2 3.32Å; F77-L81 WeakPolarHBondContact O-CD2 3.48Å
78R90.7Very high92.1Very high193 Ų19355.7 Ų55.773%0.72825%0.251SS*.Iπ-helixtrans-93.8-38.1178.3-167.8177177.9153.5-0.8112.7I74I74-R78 HydrophobicContact CG2-CB 4.27Å; I74-R78 WeakPolarHBondContact O-CA 3.39Å; I74-R78 WeakPolarHBondContact O-CB 3.42Å; I74-R78 PolarHBondContact O-N 2.79Å
79H89.6Confident92Very high58 Ų5855.8 Ų55.827%0.26925%0.252SS..Iπ-helixtrans-103.8-49.8-172.2-62.3-81000113.4C37 I39 L75C37-H79 HydrophobicContact CB-CB 4.14Å; C37-H79 VanDerWaalsContact SG-CB 3.52Å; I39-H79 VanDerWaalsContact CG2-CE1 3.42Å; I39-H79 WeakPolarHBondContact CG2-CE1 3.38Å; L75-H79 WeakPolarHBondContact O-CB 3.33Å; L75-H79 PolarHBondContact O-N 2.98Å
80L90.8Very high92Very high5 Ų552.6 Ų52.63%0.02624%0.238CC..Iπ-helixtrans-83.2-24.3-177.2-61.8177.4000113.8V16 F29 L75 Y76 V82V16-L80 HydrophobicContact CB-CD1 4.48Å; V16-L80 HydrophobicContact CG1-CD1 3.45Å; V16-L80 VanDerWaalsContact CG1-CD1 3.45Å; V16-L80 HydrophobicContact CG2-CD1 4.16Å; F29-L80 HydrophobicContact CD2-CD2 4.46Å; F29-L80 HydrophobicContact CE2-CD2 3.95Å; F29-L80 HydrophobicContact CZ-CB 4.37Å; F29-L80 HydrophobicContact CZ-CD2 4.28Å; L75-L80 HydrophobicContact CD2-CD1 3.67Å; L75-L80 HydrophobicContact CD2-CG 4.2Å; L75-L80 PolarHBondContact O-N 3.04Å; L75-L80 VanDerWaalsContact O-N 3.12Å; Y76-L80 HydrophobicContact CD1-CD1 3.82Å; Y76-L80 HydrophobicContact CE1-CD1 3.86Å; Y76-L80 HydrophobicContact CG-CD1 4.27Å; Y76-L80 CarbonylContact O-C 3.57Å; Y76-L80 PolarHBondContact O-N 2.9Å; L80-V82 HydrophobicContact CB-CG1 3.79Å; L80-V82 HydrophobicContact CD1-CG1 4.47Å; L80-V82 PolarHBondContact O-N 3.46Å
81L92.2Very high92Very high114 Ų11450.4 Ų50.460%0.59723%0.228SC*.  trans53.937.1-178.9-56171.3000112.8Y76 F77Y76-L81 PolarHBondContact O-N 3.17Å; F77-L81 VanDerWaalsContact O-CD2 3.32Å; F77-L81 WeakPolarHBondContact O-CD2 3.48Å
82V91Very high92Very high25 Ų2550.2 Ų50.215%0.15223%0.227CC..SBendtrans-138.8151.3-173.7770000111.9F29 Y76 L80 R87F29-V82 HydrophobicContact CE1-CG1 4.24Å; F29-V82 HydrophobicContact CZ-CB 4.41Å; F29-V82 HydrophobicContact CZ-CG1 4.06Å; Y76-V82 HydrophobicContact CD1-CG1 3.99Å; Y76-V82 HydrophobicContact CE1-CG1 4.31Å; L80-V82 HydrophobicContact CB-CG1 3.79Å; L80-V82 HydrophobicContact CD1-CG1 4.47Å; L80-V82 PolarHBondContact O-N 3.46Å; V82-R87 VanDerWaalsContact CG2-NE 3.33Å
83N92.3Very high91.8Very high91 Ų9150.9 Ų50.949%0.48723%0.23SC..  trans-76.4128.6175.1-74.7-27000110.9R85 D86N83-R85 VanDerWaalsContact C-N 3.3Å; N83-R85 PolarHBondContact O-N 2.85Å; N83-D86 PolarHBondContact O-N 2.78Å
84P91.3Very high91.5Very high8 Ų848.5 Ų48.55%0.05222%0.222CC..G310 helixtrans-68.9-25.5179.222.4-29.3000113.6Y76 D86 F113 V115Y76-P84 HydrophobicContact CD1-CB 3.83Å; Y76-P84 HydrophobicContact CD1-CG 4.29Å; Y76-P84 HydrophobicContact CD2-CB 4.35Å; Y76-P84 HydrophobicContact CE1-CB 3.62Å; Y76-P84 HydrophobicContact CE2-CB 4.18Å; Y76-P84 HydrophobicContact CG-CB 4.19Å; Y76-P84 HydrophobicContact CG-CG 4.37Å; P84-D86 PolarHBondContact O-N 2.93Å; P84-F113 HydrophobicContact CB-CB 4.19Å; P84-F113 HydrophobicContact CB-CD1 4.3Å; P84-F113 HydrophobicContact CG-CB 4.09Å; P84-F113 HydrophobicContact CG-CD1 3.54Å; P84-F113 HydrophobicContact CG-CE1 4.4Å; P84-F113 HydrophobicContact CG-CG 4.19Å; P84-V115 HydrophobicContact CB-CG1 4.07Å
85R91.1Very high91.2Very high144 Ų14446.2 Ų46.254%0.54321%0.211SC..G310 helixtrans-64.3-22.9179.2-68.8-176.7178.4-171.7-5.2114.1N83 F113 E114 P116N83-R85 VanDerWaalsContact C-N 3.3Å; N83-R85 PolarHBondContact O-N 2.85Å; R85-F113 WeakPolarHBondContact CG-O 3.45Å; R85-E114 HydrophobicContact CG-CB 4.21Å; R85-E114 IonicContact CZ-OE2 3.43Å; R85-E114 IonicContact NE-OE2 3.76Å; R85-E114 PolarHBondContact NE-OE2 3.15Å; R85-E114 IonicContact NH1-OE2 2.68Å; R85-E114 IonicContact NH2-OE2 3.64Å; R85-E114 PolarHBondContact NH2-OE2 3.31Å; R85-P116 WeakPolarHBondContact O-CD 3.36Å; R85-P116 WeakPolarHBondContact O-CG 3.42Å
86D88.4Confident90.8Very high77 Ų7748.5 Ų48.541%0.41222%0.223SC..G310 helixtrans-91.3-13.5-170.8-78.24.3000113.3K13 N83 P84K13-D86 HydrophobicContact CD-CB 3.84Å; K13-D86 WeakPolarHBondContact CD-O 3.41Å; K13-D86 IonicContact NZ-OD1 3.56Å; K13-D86 IonicContact NZ-OD2 3.24Å; K13-D86 PolarHBondContact NZ-OD2 2.83Å; N83-D86 PolarHBondContact O-N 2.78Å; P84-D86 PolarHBondContact O-N 2.93Å
87R87.8Confident90.6Very high19 Ų1948.9 Ų48.97%0.07223%0.225CC..SBendtrans-136.4142.7-164.9-67.9176.5-177.5-101.53.9111.2E5 K13 T14 V16 V82 P116E5-R87 IonicContact OE1-NH2 3.79Å; E5-R87 PolarHBondContact OE1-NH2 2.94Å; K13-R87 HydrophobicContact CB-CG 3.79Å; K13-R87 HydrophobicContact CD-CG 4.28Å; T14-R87 WeakPolarHBondContact O-CD 3.5Å; T14-R87 PolarHBondContact O-NH1 3.07Å; T14-R87 PolarHBondContact OG1-NH1 2.72Å; V16-R87 HydrophobicContact CG2-CB 4.31Å; V82-R87 VanDerWaalsContact CG2-NE 3.33Å; R87-P116 VanDerWaalsContact O-CD 3.31Å; R87-P116 WeakPolarHBondContact O-CD 3.49Å
88R90.3Very high90.4Very high80 Ų8046.7 Ų46.730%0.30222%0.22SC..  trans-69.7152.2173.3-55.5-176.7-176.1150.64.4110.2A15 V16 S117A15-R88 CarbonylContact C-O 3.59Å; A15-R88 WeakPolarHBondContact CA-O 3.15Å; A15-R88 HydrophobicContact CB-CB 4.26Å; V16-R88 PolarHBondContact N-O 2.77Å; R88-S117 WeakPolarHBondContact CB-OG 3.46Å; R88-S117 WeakPolarHBondContact CD-OG 3.32Å; R88-S117 VanDerWaalsContact CG-OG 3.24Å; R88-S117 WeakPolarHBondContact CG-OG 3.03Å
89V92.8Very high90.3Very high1 Ų139.2 Ų39.21%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-121.6129-177.8-169.20000110.9V16 I18 Y76 I91 V115 S117 V118 L119V16-V89 CarbonylContact O-C 3.59Å; V16-V89 WeakPolarHBondContact O-CA 3.37Å; I18-V89 HydrophobicContact CD1-CG1 3.95Å; I18-V89 HydrophobicContact CG1-CG1 4.24Å; Y76-V89 WeakPolarHBondContact OH-CG2 3.41Å; V89-I91 HydrophobicContact CG1-CD1 4.16Å; V89-I91 HydrophobicContact CG1-CG1 3.81Å; V89-V115 HydrophobicContact CG2-CB 4.19Å; V89-V115 HydrophobicContact CG2-CG1 3.91Å; V89-S117 PolarHBondContact N-O 3.22Å; V89-V118 CarbonylContact O-C 3.55Å; V89-V118 WeakPolarHBondContact O-CA 3.29Å; V89-L119 PolarHBondContact O-N 3.19Å
90V94.1Very high90.3Very high1 Ų140 Ų401%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-106.1124169.9-178.40000108.1V16 V17 I18 L119 A121 L368V16-V90 PolarHBondContact O-N 3.18Å; V17-V90 CarbonylContact C-O 3.5Å; V17-V90 WeakPolarHBondContact CA-O 3.32Å; V17-V90 HydrophobicContact CG2-CB 4.29Å; I18-V90 PolarHBondContact N-O 2.87Å; V90-L119 HydrophobicContact CG1-CD2 4.11Å; V90-L119 HydrophobicContact CG2-CD2 4.31Å; V90-A121 HydrophobicContact CG1-CB 4.47Å; V90-L368 HydrophobicContact CG2-CD2 3.67Å
91I94.9Very high90.3Very high4 Ų440 Ų402%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-116.1118.1-177.6-58179.4000107I18 L20 V89 L105 L109 L119 L120 A121I18-I91 CarbonylContact O-C 3.54Å; I18-I91 VanDerWaalsContact O-CA 3.32Å; I18-I91 WeakPolarHBondContact O-CA 3.42Å; L20-I91 HydrophobicContact CD1-CG2 4.41Å; V89-I91 HydrophobicContact CG1-CD1 4.16Å; V89-I91 HydrophobicContact CG1-CG1 3.81Å; I91-L105 HydrophobicContact CD1-CD1 4.43Å; I91-L105 HydrophobicContact CD1-CD2 3.58Å; I91-L105 HydrophobicContact CD1-CG 4.33Å; I91-L105 HydrophobicContact CG2-CD1 4.25Å; I91-L109 HydrophobicContact CD1-CD1 3.18Å; I91-L119 PolarHBondContact N-O 2.83Å; I91-L120 HydrophobicContact CB-CD2 3.86Å; I91-L120 HydrophobicContact CD1-CD2 4.29Å; I91-L120 HydrophobicContact CG2-CD2 4.08Å; I91-L120 WeakPolarHBondContact O-CA 3.35Å; I91-A121 PolarHBondContact O-N 3.02Å
92I94.2Very high90.2Very high0 Ų035.2 Ų35.20%018%0.175CC..EExtended strand (participates in β ladder)trans-92122.2177.1-58.1156.8000106.6V17 I18 D19 A121 M126 A354 W355V17-I92 HydrophobicContact CG1-CD1 3.6Å; V17-I92 HydrophobicContact CG1-CG1 4.35Å; I18-I92 PolarHBondContact O-N 2.72Å; D19-I92 HydrophobicContact CB-CB 4.12Å; D19-I92 HydrophobicContact CB-CD1 4.02Å; I92-A121 WeakPolarHBondContact CA-O 3.18Å; I92-M126 HydrophobicContact CG1-CG 4.45Å; I92-A354 WeakPolarHBondContact CD1-O 3.48Å; I92-A354 HydrophobicContact CG2-CB 4.16Å; I92-W355 VanDerWaalsContact CD1-CA 3.46Å; I92-W355 HydrophobicContact CD1-CB 4.4Å
93E90.4Very high90.2Very high18 Ų1837.2 Ų37.28%0.08418%0.183CC..EExtended strand (participates in β ladder)trans-127155.3178.762.3178.9-168.100110.7C97 R102 A121 P122 S123E93-C97 HydrophobicContact CB-CB 4.47Å; E93-R102 WeakPolarHBondContact OE1-CD 3.39Å; E93-R102 IonicContact OE1-NH1 2.9Å; E93-R102 WeakPolarHBondContact OE2-CD 3.23Å; E93-R102 WeakPolarHBondContact OE2-CG 3.25Å; E93-A121 PolarHBondContact N-O 2.77Å; E93-P122 WeakPolarHBondContact O-CA 3.19Å; E93-S123 PolarHBondContact O-N 3.23Å
94S88.3Confident90.2Very high29 Ų2933.4 Ų33.420%0.20316%0.163CC..  trans-67.4148.4165.762.30000109.1L96 C97S94-L96 VanDerWaalsContact C-N 3.28Å; S94-L96 PolarHBondContact O-N 3.47Å; S94-C97 WeakPolarHBondContact O-CB 3.35Å; S94-C97 PolarHBondContact O-N 2.91Å
95V86.8Confident90.3Very high10 Ų1033.1 Ų33.16%0.06116%0.161CC..THydrogen-bonded Turntrans-56.9-48.9176.7179.50000108.6C97 P122 L149 L158 W387V95-C97 PolarHBondContact O-N 3.1Å; V95-P122 HydrophobicContact CG2-CB 3.66Å; V95-L149 HydrophobicContact CG2-CD2 3.68Å; V95-L158 HydrophobicContact CG1-CD2 3.8Å; V95-W387 HydrophobicContact CG1-CD2 4.07Å; V95-W387 HydrophobicContact CG1-CE3 3.84Å; V95-W387 HydrophobicContact CG1-CH2 3.81Å; V95-W387 HydrophobicContact CG1-CZ2 4.12Å; V95-W387 HydrophobicContact CG1-CZ3 3.62Å; V95-W387 VanDerWaalsContact O-CE2 3.3Å; V95-W387 WeakPolarHBondContact O-CH2 3.44Å; V95-W387 WeakPolarHBondContact O-CZ2 3.45Å
96L85.6Confident90.4Very high48 Ų4826.4 Ų26.425%0.25114%0.136SC..THydrogen-bonded Turntrans-72.513.2-176-53.8176.1000116S94 L147 W161 A163S94-L96 VanDerWaalsContact C-N 3.28Å; S94-L96 PolarHBondContact O-N 3.47Å; L96-L147 HydrophobicContact CD1-CD1 3.68Å; L96-L147 HydrophobicContact CD1-CD2 4.01Å; L96-L147 HydrophobicContact CD1-CG 4.46Å; L96-L147 HydrophobicContact CG-CD1 4.25Å; L96-L147 HydrophobicContact CG-CD2 3.99Å; L96-W161 HydrophobicContact CD1-CE3 3.69Å; L96-W161 HydrophobicContact CD1-CH2 4.02Å; L96-W161 HydrophobicContact CD1-CZ3 3.27Å; L96-W161 HydrophobicContact CD2-CD2 4.23Å; L96-W161 HydrophobicContact CD2-CE3 3.95Å; L96-W161 HydrophobicContact CD2-CH2 4.04Å; L96-W161 HydrophobicContact CD2-CZ2 4.33Å; L96-W161 HydrophobicContact CD2-CZ3 3.86Å; L96-W161 HydrophobicContact CG-CE3 4.35Å; L96-W161 HydrophobicContact CG-CZ3 4.19Å; L96-A163 HydrophobicContact CD1-CB 3.95Å
97C87.1Confident90.7Very high8 Ų829 Ų295%0.05414%0.14CC..  trans-63.1127.7-179.9-167.30000111.5E93 S94 V95 S99 F101 R102E93-C97 HydrophobicContact CB-CB 4.47Å; S94-C97 WeakPolarHBondContact O-CB 3.35Å; S94-C97 PolarHBondContact O-N 2.91Å; V95-C97 PolarHBondContact O-N 3.1Å; C97-S99 PolarHBondContact O-N 3.41Å; C97-F101 VanDerWaalsContact SG-CD1 3.53Å; C97-R102 PolarHBondContact O-NE 3.28Å
98P89Confident91Very high47 Ų4728.1 Ų28.131%0.30514%0.137SC..  trans-56.2135.1-179.8-27.335.3000112.8Y57 H100 F101 R102Y57-P98 HydrophobicContact CD1-CG 3.75Å; Y57-P98 HydrophobicContact CE1-CG 4.17Å; Y57-P98 HydrophobicContact CG-CG 4.04Å; P98-H100 PolarHBondContact O-N 3.25Å; P98-F101 WeakPolarHBondContact O-CB 3.49Å; P98-F101 PolarHBondContact O-N 3.39Å; P98-R102 PolarHBondContact O-N 3.01Å
99S87.6Confident91.3Very high37 Ų3724.3 Ų24.326%0.25912%0.123SC..Hα-helixtrans-59-31.8179.4-46.10000112.4C97 F101 R102 E103 D386C97-S99 PolarHBondContact O-N 3.41Å; S99-F101 VanDerWaalsContact C-N 3.33Å; S99-F101 PolarHBondContact O-N 2.94Å; S99-R102 PolarHBondContact O-N 2.88Å; S99-R102 PolarHBondContact OG-NH2 3.45Å; S99-E103 WeakPolarHBondContact O-CG 3.19Å; S99-E103 PolarHBondContact O-N 3.19Å; S99-D386 PolarHBondContact OG-OD2 3.48Å
100H89.9Confident91.4Very high73 Ų7324.3 Ų24.334%0.33812%0.122SC..Hα-helixtrans-55.7-43.5172-179.182.2000113.7I59 T61 P98 T104I59-H100 PolarHBondContact O-NE2 3.12Å; T61-H100 WeakPolarHBondContact CG2-CE1 3.33Å; P98-H100 PolarHBondContact O-N 3.25Å; H100-T104 PolarHBondContact O-N 2.94Å; H100-T104 VanDerWaalsContact O-N 3.14Å; H100-T104 PolarHBondContact O-OG1 3.22Å
101F91.3Very high91.3Very high7 Ų729.4 Ų29.43%0.03114%0.144CC..Hα-helixtrans-67.5-43.6178.2-179.1-93.4000110.4L20 V55 Y57 L64 L68 C97 P98 S99 T104 L105L20-F101 HydrophobicContact CD1-CE1 4.38Å; L20-F101 HydrophobicContact CD1-CZ 4.4Å; V55-F101 HydrophobicContact CB-CE2 4.48Å; V55-F101 HydrophobicContact CG1-CE2 4.07Å; V55-F101 HydrophobicContact CG1-CZ 4.07Å; V55-F101 HydrophobicContact CG2-CZ 4.18Å; Y57-F101 HydrophobicContact CD1-CB 4.46Å; Y57-F101 HydrophobicContact CE1-CB 4.49Å; Y57-F101 HydrophobicContact CE1-CD2 4.43Å; Y57-F101 HydrophobicContact CE1-CG 4.36Å; L64-F101 HydrophobicContact CD1-CD2 4.17Å; L64-F101 HydrophobicContact CD1-CE2 4.16Å; L64-F101 HydrophobicContact CD2-CD2 4.01Å; L68-F101 HydrophobicContact CD1-CE2 4.34Å; L68-F101 HydrophobicContact CD2-CE2 4.14Å; L68-F101 HydrophobicContact CD2-CZ 4.03Å; C97-F101 VanDerWaalsContact SG-CD1 3.53Å; P98-F101 WeakPolarHBondContact O-CB 3.49Å; P98-F101 PolarHBondContact O-N 3.39Å; S99-F101 VanDerWaalsContact C-N 3.33Å; S99-F101 PolarHBondContact O-N 2.94Å; F101-T104 PolarHBondContact O-N 3.42Å; F101-L105 HydrophobicContact CE1-CD1 3.92Å; F101-L105 HydrophobicContact CZ-CD1 4.43Å; F101-L105 VanDerWaalsContact O-CB 3.31Å; F101-L105 WeakPolarHBondContact O-CB 3.39Å; F101-L105 PolarHBondContact O-N 3.12Å
102R90.4Very high91.3Very high12 Ų1234 Ų345%0.04516%0.162CC..Hα-helixtrans-62.8-43.8178.8-66.2-174.6-72.5164.2-11.2112.9E93 C97 P98 S99 T104 L105 T106 L120 D386E93-R102 WeakPolarHBondContact OE1-CD 3.39Å; E93-R102 IonicContact OE1-NH1 2.9Å; E93-R102 WeakPolarHBondContact OE2-CD 3.23Å; E93-R102 WeakPolarHBondContact OE2-CG 3.25Å; C97-R102 PolarHBondContact O-NE 3.28Å; P98-R102 PolarHBondContact O-N 3.01Å; S99-R102 PolarHBondContact O-N 2.88Å; S99-R102 PolarHBondContact OG-NH2 3.45Å; R102-T104 VanDerWaalsContact C-N 3.35Å; R102-T104 PolarHBondContact O-N 3.05Å; R102-L105 PolarHBondContact O-N 3.12Å; R102-T106 VanDerWaalsContact O-CB 3.26Å; R102-T106 WeakPolarHBondContact O-CB 3.36Å; R102-T106 PolarHBondContact O-N 3.24Å; R102-T106 PolarHBondContact O-OG1 3.16Å; R102-L120 HydrophobicContact CB-CD1 4.24Å; R102-L120 HydrophobicContact CG-CD1 4.36Å; R102-D386 IonicContact CZ-OD1 3.08Å; R102-D386 IonicContact CZ-OD2 2.73Å; R102-D386 IonicContact NH1-OD1 3.61Å; R102-D386 PolarHBondContact NH1-OD1 2.98Å; R102-D386 IonicContact NH1-OD2 2.96Å; R102-D386 IonicContact NH2-OD1 3.74Å; R102-D386 PolarHBondContact NH2-OD1 3.3Å; R102-D386 IonicContact NH2-OD2 3.06Å; R102-D386 PolarHBondContact NH2-OD2 2.81Å
103E90.3Very high91.4Very high68 Ų6834.3 Ų34.332%0.31816%0.164SC..Hα-helixtrans-61.5-44175.4-74.4-178.3-166.600111.4S99 T106 R107 R383S99-E103 WeakPolarHBondContact O-CG 3.19Å; S99-E103 PolarHBondContact O-N 3.19Å; E103-T106 PolarHBondContact O-N 2.59Å; E103-R107 WeakPolarHBondContact O-CB 3.46Å; E103-R107 PolarHBondContact O-N 3.32Å; E103-R383 VanDerWaalsContact OE1-CD 3.27Å; E103-R383 WeakPolarHBondContact OE1-CD 3.46Å; E103-R383 IonicContact OE1-CZ 3.15Å; E103-R383 IonicContact OE1-NE 3.54Å; E103-R383 PolarHBondContact OE1-NE 2.93Å; E103-R383 VanDerWaalsContact OE1-NE 3.1Å; E103-R383 IonicContact OE1-NH1 3.32Å; E103-R383 PolarHBondContact OE1-NH1 2.83Å; E103-R383 VanDerWaalsContact OE1-NH1 3.08Å; E103-R383 IonicContact OE1-NH2 3.67Å; E103-R383 IonicContact OE2-CZ 3.83Å; E103-R383 IonicContact OE2-NE 3.26Å; E103-R383 IonicContact OE2-NH2 3.16Å
104T92.9Very high91.6Very high10 Ų1036.9 Ų36.96%0.06118%0.176CC..Hα-helixtrans-65.8-45.3179.3-53.60000111.6L64 Y65 L68 H100 F101 R102 T106 R107 V108L64-T104 HydrophobicContact CB-CG2 4.16Å; L64-T104 HydrophobicContact CD2-CG2 4.01Å; L64-T104 HydrophobicContact CG-CG2 3.9Å; Y65-T104 HydrophobicContact CD2-CG2 4.45Å; L68-T104 HydrophobicContact CD1-CG2 4.01Å; H100-T104 PolarHBondContact O-N 2.94Å; H100-T104 VanDerWaalsContact O-N 3.14Å; H100-T104 PolarHBondContact O-OG1 3.22Å; F101-T104 PolarHBondContact O-N 3.42Å; R102-T104 VanDerWaalsContact C-N 3.35Å; R102-T104 PolarHBondContact O-N 3.05Å; T104-T106 VanDerWaalsContact C-N 3.35Å; T104-T106 PolarHBondContact O-N 3.49Å; T104-R107 WeakPolarHBondContact O-CB 3.12Å; T104-R107 PolarHBondContact O-N 3.15Å; T104-V108 WeakPolarHBondContact O-CG2 3.48Å; T104-V108 PolarHBondContact O-N 3.42Å
105L93.5Very high91.8Very high3 Ų335.5 Ų35.52%0.01617%0.166CC..Hα-helixtrans-60.5-44.3176.3168.9149.9000111.8L20 L68 I91 F101 R102 R107 V108 L109 L120L20-L105 HydrophobicContact CD1-CD1 3.22Å; L68-L105 HydrophobicContact CD1-CB 4.16Å; I91-L105 HydrophobicContact CD1-CD1 4.43Å; I91-L105 HydrophobicContact CD1-CD2 3.58Å; I91-L105 HydrophobicContact CD1-CG 4.33Å; I91-L105 HydrophobicContact CG2-CD1 4.25Å; F101-L105 HydrophobicContact CE1-CD1 3.92Å; F101-L105 HydrophobicContact CZ-CD1 4.43Å; F101-L105 VanDerWaalsContact O-CB 3.31Å; F101-L105 WeakPolarHBondContact O-CB 3.39Å; F101-L105 PolarHBondContact O-N 3.12Å; R102-L105 PolarHBondContact O-N 3.12Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 2.92Å; L105-V108 PolarHBondContact O-N 3.5Å; L105-L109 HydrophobicContact CD2-CD1 3.67Å; L105-L109 HydrophobicContact CG-CD1 4.09Å; L105-L109 WeakPolarHBondContact O-CG 3.45Å; L105-L109 PolarHBondContact O-N 2.93Å; L105-L120 HydrophobicContact CD2-CD2 4.07Å
106T93Very high92Very high2 Ų237.4 Ų37.41%0.01218%0.179CC..Hα-helixtrans-62.2-42.9176.5-59.80000111.4R102 E103 T104 V108 L109 F110 Y378 I384R102-T106 VanDerWaalsContact O-CB 3.26Å; R102-T106 WeakPolarHBondContact O-CB 3.36Å; R102-T106 PolarHBondContact O-N 3.24Å; R102-T106 PolarHBondContact O-OG1 3.16Å; E103-T106 PolarHBondContact O-N 2.59Å; T104-T106 VanDerWaalsContact C-N 3.35Å; T104-T106 PolarHBondContact O-N 3.49Å; T106-V108 VanDerWaalsContact C-N 3.34Å; T106-V108 PolarHBondContact O-N 3.26Å; T106-L109 PolarHBondContact O-N 3.47Å; T106-F110 HydrophobicContact CG2-CD2 3.5Å; T106-F110 VanDerWaalsContact CG2-CD2 3.5Å; T106-F110 HydrophobicContact CG2-CE2 3.7Å; T106-F110 PolarHBondContact O-N 3.15Å; T106-Y378 HydrophobicContact CG2-CD2 3.64Å; T106-Y378 HydrophobicContact CG2-CE1 4.46Å; T106-Y378 HydrophobicContact CG2-CE2 3.34Å; T106-Y378 HydrophobicContact CG2-CG 4.34Å; T106-I384 HydrophobicContact CG2-CD1 3.42Å; T106-I384 VanDerWaalsContact CG2-CD1 3.42Å; T106-I384 HydrophobicContact CG2-CG1 3.78Å; T106-I384 WeakPolarHBondContact OG1-CD1 3.26Å
107R93.8Very high92.2Very high132 Ų13235.5 Ų35.550%0.49817%0.169SC..Hα-helixtrans-60-43.8176.3-169.6-176.6175.8175.6-1.7111.3Y65 E103 T104 L105 K111Y65-R107 HydrophobicContact CD2-CG 4.33Å; Y65-R107 HydrophobicContact CE2-CB 4.3Å; Y65-R107 HydrophobicContact CE2-CG 3.9Å; E103-R107 WeakPolarHBondContact O-CB 3.46Å; E103-R107 PolarHBondContact O-N 3.32Å; T104-R107 WeakPolarHBondContact O-CB 3.12Å; T104-R107 PolarHBondContact O-N 3.15Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 2.92Å; R107-K111 HydrophobicContact CG-CG 4.08Å; R107-K111 WeakPolarHBondContact O-CB 3.46Å; R107-K111 PolarHBondContact O-N 3.08Å
108V95.4Very high92.5Very high0 Ų035.2 Ų35.20%017%0.167CC..Iπ-helixtrans-61.3-45.9177.2173.40000111Y65 L68 K69 I72 T104 L105 T106 Y112 F113Y65-V108 HydrophobicContact CD2-CB 4.43Å; Y65-V108 HydrophobicContact CD2-CG2 3.27Å; Y65-V108 HydrophobicContact CE2-CB 4.18Å; Y65-V108 HydrophobicContact CE2-CG2 3.43Å; Y65-V108 VanDerWaalsContact CE2-CG2 3.43Å; Y65-V108 HydrophobicContact CG-CG2 3.9Å; L68-V108 HydrophobicContact CB-CG2 3.99Å; K69-V108 HydrophobicContact CB-CG1 4.38Å; I72-V108 HydrophobicContact CD1-CG1 3.92Å; T104-V108 WeakPolarHBondContact O-CG2 3.48Å; T104-V108 PolarHBondContact O-N 3.42Å; L105-V108 PolarHBondContact O-N 3.5Å; T106-V108 VanDerWaalsContact C-N 3.34Å; T106-V108 PolarHBondContact O-N 3.26Å; V108-Y112 WeakPolarHBondContact O-CB 3.32Å; V108-Y112 PolarHBondContact O-N 2.98Å; V108-Y112 VanDerWaalsContact O-N 3.12Å; V108-F113 HydrophobicContact CG1-CD2 3.84Å; V108-F113 HydrophobicContact CG1-CE2 3.7Å; V108-F113 PolarHBondContact O-N 3.35Å
109L95.1Very high92.6Very high1 Ų133.8 Ų33.81%0.00516%0.157CC..Iπ-helixtrans-67.8-45.8-176.5-69.7163.8000112.9I72 I91 L105 T106 F113 E114 V115 V118I72-L109 HydrophobicContact CD1-CD2 4.23Å; I91-L109 HydrophobicContact CD1-CD1 3.18Å; L105-L109 HydrophobicContact CD2-CD1 3.67Å; L105-L109 HydrophobicContact CG-CD1 4.09Å; L105-L109 WeakPolarHBondContact O-CG 3.45Å; L105-L109 PolarHBondContact O-N 2.93Å; T106-L109 PolarHBondContact O-N 3.47Å; L109-F113 CarbonylContact O-C 3.6Å; L109-E114 PolarHBondContact O-N 3.25Å; L109-V115 HydrophobicContact CB-CG2 3.93Å; L109-V115 HydrophobicContact CD2-CG1 4.36Å; L109-V115 PolarHBondContact O-N 3.48Å; L109-V118 HydrophobicContact CB-CG1 4.15Å; L109-V118 HydrophobicContact CD1-CG1 4.04Å
110F94.9Very high92.7Very high1 Ų133.5 Ų33.50%0.00415%0.152CC..Iπ-helixtrans-82.7-38.3-177.8-74.5-55.6000114.1T106 E114 V115 V118 V373 K375 Y378 I384T106-F110 HydrophobicContact CG2-CD2 3.5Å; T106-F110 VanDerWaalsContact CG2-CD2 3.5Å; T106-F110 HydrophobicContact CG2-CE2 3.7Å; T106-F110 PolarHBondContact O-N 3.15Å; F110-E114 WeakPolarHBondContact O-CA 3.42Å; F110-V115 HydrophobicContact CD1-CG2 3.95Å; F110-V115 HydrophobicContact CE1-CG2 4.07Å; F110-V118 HydrophobicContact CE1-CG1 4.15Å; F110-V118 HydrophobicContact CE1-CG2 4.48Å; F110-V118 HydrophobicContact CE2-CB 4.49Å; F110-V118 HydrophobicContact CE2-CG1 4.22Å; F110-V118 HydrophobicContact CE2-CG2 3.49Å; F110-V118 VanDerWaalsContact CE2-CG2 3.49Å; F110-V118 HydrophobicContact CZ-CB 4.2Å; F110-V118 HydrophobicContact CZ-CG1 3.9Å; F110-V118 HydrophobicContact CZ-CG2 3.48Å; F110-V118 VanDerWaalsContact CZ-CG2 3.48Å; F110-V373 HydrophobicContact CE2-CG1 4.5Å; F110-V373 HydrophobicContact CZ-CG1 4.36Å; F110-V373 WeakPolarHBondContact CZ-O 3.25Å; F110-K375 HydrophobicContact CD1-CB 3.79Å; F110-K375 HydrophobicContact CD1-CG 3.89Å; F110-K375 VanDerWaalsContact CE1-CA 3.46Å; F110-K375 HydrophobicContact CE1-CB 3.84Å; F110-K375 HydrophobicContact CE1-CG 4.45Å; F110-Y378 HydrophobicContact CB-CD1 3.55Å; F110-Y378 HydrophobicContact CB-CE1 3.81Å; F110-Y378 HydrophobicContact CB-CG 4.4Å; F110-Y378 AromaticContact CD2-CD1 3.34Å; F110-Y378 HydrophobicContact CD2-CD1 3.34Å; F110-Y378 AromaticContact CD2-CD2 3.88Å; F110-Y378 HydrophobicContact CD2-CD2 3.88Å; F110-Y378 AromaticContact CD2-CE1 3.9Å; F110-Y378 HydrophobicContact CD2-CE1 3.9Å; F110-Y378 HydrophobicContact CD2-CE2 4.4Å; F110-Y378 AromaticContact CD2-CG 3.31Å; F110-Y378 HydrophobicContact CD2-CG 3.31Å; F110-Y378 HydrophobicContact CE2-CD1 4.16Å; F110-Y378 HydrophobicContact CE2-CD2 4.08Å; F110-Y378 AromaticContact CE2-CG 3.66Å; F110-Y378 HydrophobicContact CE2-CG 3.66Å; F110-Y378 AromaticContact CG-CD1 3.67Å; F110-Y378 HydrophobicContact CG-CD1 3.67Å; F110-Y378 HydrophobicContact CG-CE1 4.28Å; F110-Y378 HydrophobicContact CG-CG 4.04Å; F110-I384 HydrophobicContact CE2-CD1 4.41Å
111K93.6Very high92.7Very high107 Ų10730.1 Ų30.147%0.46514%0.137SC..Iπ-helixtrans-86.8-37.6-175.3-59.5-60.8-171.9-173.70113.4R107 N379R107-K111 HydrophobicContact CG-CG 4.08Å; R107-K111 WeakPolarHBondContact O-CB 3.46Å; R107-K111 PolarHBondContact O-N 3.08Å; K111-N379 PolarHBondContact NZ-OD1 2.76Å
112Y95.1Very high92.7Very high100 Ų10031.6 Ų31.639%0.39215%0.148SC..Iπ-helixtrans-95.6-51.6-179-179.1-100.3000112.4K69 V108K69-Y112 HydrophobicContact CD-CD1 4.1Å; K69-Y112 HydrophobicContact CD-CD2 3.87Å; K69-Y112 HydrophobicContact CD-CE1 3.93Å; K69-Y112 HydrophobicContact CD-CE2 3.71Å; K69-Y112 HydrophobicContact CD-CG 4.07Å; K69-Y112 HydrophobicContact CG-CD1 3.61Å; K69-Y112 HydrophobicContact CG-CD2 4.31Å; K69-Y112 HydrophobicContact CG-CE1 3.5Å; K69-Y112 VanDerWaalsContact CG-CE1 3.5Å; K69-Y112 HydrophobicContact CG-CE2 4.24Å; K69-Y112 HydrophobicContact CG-CG 4.01Å; V108-Y112 WeakPolarHBondContact O-CB 3.32Å; V108-Y112 PolarHBondContact O-N 2.98Å; V108-Y112 VanDerWaalsContact O-N 3.12Å
113F94.6Very high92.9Very high8 Ų831.3 Ų31.34%0.03515%0.147CC..SBendtrans-84.6-17.5-178.1-70.1-71.8000114I72 H73 P84 R85 V108 L109 V115I72-F113 HydrophobicContact CB-CD2 4.48Å; I72-F113 HydrophobicContact CB-CE2 3.6Å; I72-F113 HydrophobicContact CB-CZ 3.84Å; I72-F113 HydrophobicContact CD1-CE2 4.47Å; I72-F113 HydrophobicContact CG2-CD2 3.81Å; I72-F113 HydrophobicContact CG2-CE1 4.22Å; I72-F113 HydrophobicContact CG2-CE2 3.3Å; I72-F113 HydrophobicContact CG2-CG 4.47Å; I72-F113 HydrophobicContact CG2-CZ 3.53Å; H73-F113 HydrophobicContact CB-CZ 4.16Å; P84-F113 HydrophobicContact CB-CB 4.19Å; P84-F113 HydrophobicContact CB-CD1 4.3Å; P84-F113 HydrophobicContact CG-CB 4.09Å; P84-F113 HydrophobicContact CG-CD1 3.54Å; P84-F113 HydrophobicContact CG-CE1 4.4Å; P84-F113 HydrophobicContact CG-CG 4.19Å; R85-F113 WeakPolarHBondContact CG-O 3.45Å; V108-F113 HydrophobicContact CG1-CD2 3.84Å; V108-F113 HydrophobicContact CG1-CE2 3.7Å; V108-F113 PolarHBondContact O-N 3.35Å; L109-F113 CarbonylContact O-C 3.6Å; F113-V115 VanDerWaalsContact C-N 3.32Å; F113-V115 HydrophobicContact CB-CG1 4.11Å; F113-V115 PolarHBondContact O-N 2.92Å
114E94.6Very high93.1Very high71 Ų7128.1 Ų28.133%0.33213%0.132SC..  trans54.144.5178.4-62-174.1153.100113.6R85 L109 F110 K375R85-E114 HydrophobicContact CG-CB 4.21Å; R85-E114 IonicContact CZ-OE2 3.43Å; R85-E114 IonicContact NE-OE2 3.76Å; R85-E114 PolarHBondContact NE-OE2 3.15Å; R85-E114 IonicContact NH1-OE2 2.68Å; R85-E114 IonicContact NH2-OE2 3.64Å; R85-E114 PolarHBondContact NH2-OE2 3.31Å; L109-E114 PolarHBondContact O-N 3.25Å; F110-E114 WeakPolarHBondContact O-CA 3.42Å; E114-K375 IonicContact OE1-NZ 2.72Å
115V93.6Very high93.1Very high0 Ų028.9 Ų28.90%014%0.136CC..  trans-65.3148.3178.3-57.40000111.6P84 V89 L109 F110 F113 V118P84-V115 HydrophobicContact CB-CG1 4.07Å; V89-V115 HydrophobicContact CG2-CB 4.19Å; V89-V115 HydrophobicContact CG2-CG1 3.91Å; L109-V115 HydrophobicContact CB-CG2 3.93Å; L109-V115 HydrophobicContact CD2-CG1 4.36Å; L109-V115 PolarHBondContact O-N 3.48Å; F110-V115 HydrophobicContact CD1-CG2 3.95Å; F110-V115 HydrophobicContact CE1-CG2 4.07Å; F113-V115 VanDerWaalsContact C-N 3.32Å; F113-V115 HydrophobicContact CB-CG1 4.11Å; F113-V115 PolarHBondContact O-N 2.92Å; V115-V118 HydrophobicContact CG2-CG1 3.41Å; V115-V118 VanDerWaalsContact CG2-CG1 3.41Å
116P91Very high93Very high51 Ų5128.9 Ų28.933%0.33114%0.136SC..SBendtrans-65.3-46.7-179.6-21.833.2000113.1R85 R87 K375R85-P116 WeakPolarHBondContact O-CD 3.36Å; R85-P116 WeakPolarHBondContact O-CG 3.42Å; R87-P116 VanDerWaalsContact O-CD 3.31Å; R87-P116 WeakPolarHBondContact O-CD 3.49Å; P116-K375 PolarHBondContact O-N 2.97Å
117S90.4Very high93.1Very high8 Ų828.8 Ų28.86%0.05614%0.135CC..EExtended strand (participates in β ladder)trans-150.5152.3179.9760000111.6R88 V89 S372 V373R88-S117 WeakPolarHBondContact CB-OG 3.46Å; R88-S117 WeakPolarHBondContact CD-OG 3.32Å; R88-S117 VanDerWaalsContact CG-OG 3.24Å; R88-S117 WeakPolarHBondContact CG-OG 3.03Å; V89-S117 PolarHBondContact N-O 3.22Å; S117-S372 WeakPolarHBondContact CB-OG 3.32Å; S117-S372 PolarHBondContact OG-OG 3.17Å; S117-V373 CarbonylContact C-O 3.52Å; S117-V373 WeakPolarHBondContact CA-O 3.4Å; S117-V373 WeakPolarHBondContact CB-O 3.32Å
118V91.9Very high93.1Very high1 Ų122.6 Ų22.61%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-128.1143.6174.8-54.60000110.3V89 L109 F110 V115 V373 I384V89-V118 CarbonylContact O-C 3.55Å; V89-V118 WeakPolarHBondContact O-CA 3.29Å; L109-V118 HydrophobicContact CB-CG1 4.15Å; L109-V118 HydrophobicContact CD1-CG1 4.04Å; F110-V118 HydrophobicContact CE1-CG1 4.15Å; F110-V118 HydrophobicContact CE1-CG2 4.48Å; F110-V118 HydrophobicContact CE2-CB 4.49Å; F110-V118 HydrophobicContact CE2-CG1 4.22Å; F110-V118 HydrophobicContact CE2-CG2 3.49Å; F110-V118 VanDerWaalsContact CE2-CG2 3.49Å; F110-V118 HydrophobicContact CZ-CB 4.2Å; F110-V118 HydrophobicContact CZ-CG1 3.9Å; F110-V118 HydrophobicContact CZ-CG2 3.48Å; F110-V118 VanDerWaalsContact CZ-CG2 3.48Å; V115-V118 HydrophobicContact CG2-CG1 3.41Å; V115-V118 VanDerWaalsContact CG2-CG1 3.41Å; V118-V373 HydrophobicContact CG2-CB 4.43Å; V118-V373 PolarHBondContact N-O 2.87Å; V118-V373 PolarHBondContact O-N 2.96Å; V118-I384 HydrophobicContact CG2-CD1 3.42Å; V118-I384 VanDerWaalsContact CG2-CD1 3.42Å
119L90.8Very high92.9Very high17 Ų1725.1 Ų25.19%0.08913%0.126CC..EExtended strand (participates in β ladder)trans-125.2124.4171.7173.270.5000108.8V89 V90 I91 A121 F361 L368V89-L119 PolarHBondContact O-N 3.19Å; V90-L119 HydrophobicContact CG1-CD2 4.11Å; V90-L119 HydrophobicContact CG2-CD2 4.31Å; I91-L119 PolarHBondContact N-O 2.83Å; L119-A121 HydrophobicContact CD2-CB 4.46Å; L119-A121 HydrophobicContact CG-CB 4.45Å; L119-F361 HydrophobicContact CD2-CD1 3.52Å; L119-F361 HydrophobicContact CD2-CE1 3.26Å; L119-F361 HydrophobicContact CD2-CZ 4.42Å; L119-L368 HydrophobicContact CD2-CD2 3.82Å
120L91.2Very high92.8Very high31 Ų3125.9 Ų25.916%0.16213%0.13CC..EExtended strand (participates in β ladder)trans-94.3113.4169-57-176.1000108.3I91 R102 L105 I384I91-L120 HydrophobicContact CB-CD2 3.86Å; I91-L120 HydrophobicContact CD1-CD2 4.29Å; I91-L120 HydrophobicContact CG2-CD2 4.08Å; I91-L120 WeakPolarHBondContact O-CA 3.35Å; R102-L120 HydrophobicContact CB-CD1 4.24Å; R102-L120 HydrophobicContact CG-CD1 4.36Å; L105-L120 HydrophobicContact CD2-CD2 4.07Å; L120-I384 HydrophobicContact CD1-CD1 4.22Å; L120-I384 HydrophobicContact CD1-CG2 4Å; L120-I384 HydrophobicContact CG-CD1 4.37Å
121A89.6Confident92.7Very high3 Ų327.9 Ų27.93%0.02514%0.141CC..EExtended strand (participates in β ladder)trans-116.8132.8-174.600000111V90 I91 I92 E93 L119 S123 M126V90-A121 HydrophobicContact CG1-CB 4.47Å; I91-A121 PolarHBondContact O-N 3.02Å; I92-A121 WeakPolarHBondContact CA-O 3.18Å; E93-A121 PolarHBondContact N-O 2.77Å; L119-A121 HydrophobicContact CD2-CB 4.46Å; L119-A121 HydrophobicContact CG-CB 4.45Å; A121-S123 PolarHBondContact O-N 3.26Å; A121-M126 HydrophobicContact CB-CE 3.76Å; A121-M126 HydrophobicContact CB-CG 3.95Å; A121-M126 HydrophobicContact CB-SD 3.9Å
122P91.8Very high92.5Very high38 Ų3824.9 Ų24.925%0.24714%0.14CC..EExtended strand (participates in β ladder)trans-73.713018027.4-31.3000111.7E93 V95 H124 L125 M126E93-P122 WeakPolarHBondContact O-CA 3.19Å; V95-P122 HydrophobicContact CG2-CB 3.66Å; P122-H124 VanDerWaalsContact C-N 3.32Å; P122-H124 PolarHBondContact O-N 2.84Å; P122-L125 HydrophobicContact CG-CB 3.87Å; P122-L125 HydrophobicContact CG-CD2 4.22Å; P122-L125 PolarHBondContact O-N 2.89Å; P122-L125 VanDerWaalsContact O-N 3.17Å; P122-M126 WeakPolarHBondContact O-CG 3.37Å; P122-M126 PolarHBondContact O-N 2.92Å; P122-M126 VanDerWaalsContact O-N 3.15Å
123S93.9Very high92.4Very high6 Ų622.4 Ų22.44%0.04213%0.133CC..Hα-helixtrans-48.3-46.3-178172.90000113.8E93 A121 L125 M126 A127 D140 A354E93-S123 PolarHBondContact O-N 3.23Å; A121-S123 PolarHBondContact O-N 3.26Å; S123-L125 PolarHBondContact O-N 3.47Å; S123-M126 PolarHBondContact O-N 3.26Å; S123-A127 WeakPolarHBondContact O-CB 3.2Å; S123-A127 PolarHBondContact O-N 2.7Å; S123-D140 PolarHBondContact OG-OD2 3.46Å; S123-A354 VanDerWaalsContact OG-CB 3.3Å; S123-A354 WeakPolarHBondContact OG-CB 3.37Å
124H93.9Very high92.3Very high0 Ų025.5 Ų25.50%015%0.15CC..Hα-helixtrans-64.7-40.5-175.7-59.270.9000112.4P122 A127 L128 V138 D140 L147 L149 I151P122-H124 VanDerWaalsContact C-N 3.32Å; P122-H124 PolarHBondContact O-N 2.84Å; H124-A127 PolarHBondContact O-N 3.43Å; H124-L128 PolarHBondContact O-N 3.27Å; H124-L128 VanDerWaalsContact O-N 3.09Å; H124-V138 HydrophobicContact CB-CB 4.22Å; H124-V138 HydrophobicContact CB-CG1 4.17Å; H124-D140 WeakPolarHBondContact NE2-CB 3.33Å; H124-L147 WeakPolarHBondContact CE1-CD2 3.31Å; H124-L149 HydrophobicContact CB-CB 4.24Å; H124-L149 HydrophobicContact CB-CD2 3.94Å; H124-I151 HydrophobicContact CB-CD1 4.03Å; H124-I151 WeakPolarHBondContact O-CD1 3.41Å
125L92.4Very high92.3Very high27 Ų2722.3 Ų22.314%0.14114%0.136CC..Hα-helixtrans-69-42.4177.7-175.663.3000110.6P122 S123 A127 L128 L129 I151P122-L125 HydrophobicContact CG-CB 3.87Å; P122-L125 HydrophobicContact CG-CD2 4.22Å; P122-L125 PolarHBondContact O-N 2.89Å; P122-L125 VanDerWaalsContact O-N 3.17Å; S123-L125 PolarHBondContact O-N 3.47Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 2.9Å; L125-L128 WeakPolarHBondContact O-CB 3.49Å; L125-L128 PolarHBondContact O-N 2.95Å; L125-L129 WeakPolarHBondContact O-CG 3.38Å; L125-L129 PolarHBondContact O-N 3.4Å; L125-I151 HydrophobicContact CB-CD1 4.28Å; L125-I151 HydrophobicContact CD1-CD1 4.29Å; L125-I151 HydrophobicContact CD1-CG2 4.23Å
126M93.1Very high92.5Very high2 Ų222.3 Ų22.31%0.0114%0.136CC..Hα-helixtrans-60.4-45.2175.7-63.4-56.311400110.7I92 A121 P122 S123 L128 L129 A354 G357 F361I92-M126 HydrophobicContact CG1-CG 4.45Å; A121-M126 HydrophobicContact CB-CE 3.76Å; A121-M126 HydrophobicContact CB-CG 3.95Å; A121-M126 HydrophobicContact CB-SD 3.9Å; P122-M126 WeakPolarHBondContact O-CG 3.37Å; P122-M126 PolarHBondContact O-N 2.92Å; P122-M126 VanDerWaalsContact O-N 3.15Å; S123-M126 PolarHBondContact O-N 3.26Å; M126-L128 VanDerWaalsContact C-N 3.29Å; M126-L128 PolarHBondContact O-N 3.46Å; M126-L129 HydrophobicContact CE-CD1 4.04Å; M126-L129 WeakPolarHBondContact O-CB 3.41Å; M126-L129 PolarHBondContact O-N 3.03Å; M126-L129 HydrophobicContact SD-CD1 4.14Å; M126-A354 WeakPolarHBondContact CB-O 3.26Å; M126-G357 WeakPolarHBondContact O-CA 3.28Å; M126-F361 HydrophobicContact CE-CB 4.48Å; M126-F361 HydrophobicContact CE-CD1 4.47Å; M126-F361 HydrophobicContact CE-CD2 3.81Å; M126-F361 HydrophobicContact CE-CE2 4.01Å; M126-F361 HydrophobicContact CE-CG 4.01Å; M126-F361 HydrophobicContact CE-CZ 4.43Å; M126-F361 HydrophobicContact SD-CB 3.7Å; M126-F361 HydrophobicContact SD-CD1 4.48Å; M126-F361 HydrophobicContact SD-CD2 4.14Å; M126-F361 HydrophobicContact SD-CG 3.86Å
127A94Very high92.7Very high0 Ų020 Ų200%012%0.121CC..Hα-helixtrans-59.2-40.9177.900000112.8S123 H124 L125 L129 T130 I306 V353S123-A127 WeakPolarHBondContact O-CB 3.2Å; S123-A127 PolarHBondContact O-N 2.7Å; H124-A127 PolarHBondContact O-N 3.43Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 2.9Å; A127-L129 VanDerWaalsContact C-N 3.33Å; A127-L129 PolarHBondContact O-N 3.48Å; A127-T130 WeakPolarHBondContact O-CB 3.45Å; A127-T130 PolarHBondContact O-N 2.98Å; A127-T130 PolarHBondContact O-OG1 2.91Å; A127-I306 HydrophobicContact CB-CD1 3.54Å; A127-I306 HydrophobicContact CB-CG2 3.94Å; A127-V353 HydrophobicContact CB-CG1 3.84Å
128L94.3Very high93Very high3 Ų319.7 Ų19.72%0.01612%0.118CC..Hα-helixtrans-61.6-40.1177.5-175.460.3000112.9H124 L125 M126 T130 L131 G132 I133 A136 I151H124-L128 PolarHBondContact O-N 3.27Å; H124-L128 VanDerWaalsContact O-N 3.09Å; L125-L128 WeakPolarHBondContact O-CB 3.49Å; L125-L128 PolarHBondContact O-N 2.95Å; M126-L128 VanDerWaalsContact C-N 3.29Å; M126-L128 PolarHBondContact O-N 3.46Å; L128-T130 PolarHBondContact O-N 3.4Å; L128-T130 VanDerWaalsContact O-N 3.16Å; L128-L131 PolarHBondContact O-N 3.3Å; L128-G132 PolarHBondContact O-N 3Å; L128-I133 HydrophobicContact CD1-CD1 3.96Å; L128-I133 HydrophobicContact CD1-CG1 3.43Å; L128-I133 VanDerWaalsContact CD1-CG1 3.43Å; L128-I133 WeakPolarHBondContact CD1-O 3.23Å; L128-I133 HydrophobicContact CG-CG1 4.45Å; L128-I133 VanDerWaalsContact CG-O 3.24Å; L128-I133 WeakPolarHBondContact CG-O 3.47Å; L128-A136 HydrophobicContact CD1-CB 3.36Å; L128-I151 HydrophobicContact CB-CD1 4.18Å; L128-I151 HydrophobicContact CD2-CB 3.77Å; L128-I151 HydrophobicContact CD2-CD1 3.95Å; L128-I151 HydrophobicContact CD2-CG1 4.46Å; L128-I151 HydrophobicContact CD2-CG2 3.48Å; L128-I151 VanDerWaalsContact CD2-CG2 3.48Å
129L91.7Very high93.2Very high53 Ų5319.6 Ų19.628%0.27712%0.118SC..Hα-helixtrans-59.7-27.8179.5-68.1171.8000112.9L125 M126 A127 L131 G132 F361L125-L129 WeakPolarHBondContact O-CG 3.38Å; L125-L129 PolarHBondContact O-N 3.4Å; M126-L129 HydrophobicContact CE-CD1 4.04Å; M126-L129 WeakPolarHBondContact O-CB 3.41Å; M126-L129 PolarHBondContact O-N 3.03Å; M126-L129 HydrophobicContact SD-CD1 4.14Å; A127-L129 VanDerWaalsContact C-N 3.33Å; A127-L129 PolarHBondContact O-N 3.48Å; L129-L131 PolarHBondContact O-N 3.49Å; L129-G132 PolarHBondContact O-N 3.24Å; L129-F361 HydrophobicContact CD1-CB 4.34Å; L129-F361 HydrophobicContact CD1-CD2 3.53Å; L129-F361 HydrophobicContact CD1-CE2 4.27Å; L129-F361 HydrophobicContact CD1-CG 4.39Å
130T92.7Very high93.4Very high17 Ų1720 Ų2010%0.10412%0.12CC..THydrogen-bonded Turntrans-65.3-26.6177.270.80000113.5A127 L128 V353 L356 I360A127-T130 WeakPolarHBondContact O-CB 3.45Å; A127-T130 PolarHBondContact O-N 2.98Å; A127-T130 PolarHBondContact O-OG1 2.91Å; L128-T130 PolarHBondContact O-N 3.4Å; L128-T130 VanDerWaalsContact O-N 3.16Å; T130-V353 HydrophobicContact CG2-CG1 4.03Å; T130-V353 WeakPolarHBondContact CG2-O 3.49Å; T130-V353 WeakPolarHBondContact OG1-CG1 3.32Å; T130-L356 HydrophobicContact CG2-CB 4.03Å; T130-L356 HydrophobicContact CG2-CD2 4.09Å; T130-L356 HydrophobicContact CG2-CG 3.99Å; T130-I360 HydrophobicContact CG2-CD1 4.43Å
131L91.6Very high93.6Very high42 Ų4218.6 Ų18.622%0.2211%0.113CC..THydrogen-bonded Turntrans-89.4-15.9178.3-73.4176.7000112.9L128 L129 I133 V304 H344 P346L128-L131 PolarHBondContact O-N 3.3Å; L129-L131 PolarHBondContact O-N 3.49Å; L131-I133 VanDerWaalsContact C-N 3.26Å; L131-I133 HydrophobicContact CB-CD1 4.24Å; L131-I133 HydrophobicContact CB-CG1 4.01Å; L131-I133 HydrophobicContact CD1-CD1 4.08Å; L131-I133 PolarHBondContact O-N 2.95Å; L131-V304 HydrophobicContact CD1-CB 4.37Å; L131-V304 HydrophobicContact CD1-CG1 4.02Å; L131-V304 HydrophobicContact CD1-CG2 3.4Å; L131-H344 HydrophobicContact CD1-CB 3.85Å; L131-H344 HydrophobicContact CD2-CB 4.41Å; L131-P346 HydrophobicContact CD2-CB 4.43Å
132G90Very high93.7Very high45 Ų4519.4 Ų19.446%0.46412%0.121SC..THydrogen-bonded Turntrans67.524.1-177.900000114.2L128 L129L128-G132 PolarHBondContact O-N 3Å; L129-G132 PolarHBondContact O-N 3.24Å
133I93.1Very high93.8Very high47 Ų4718.8 Ų18.824%0.24111%0.114CC..  trans-110.7147.9175.565.3-178.9000109.9L128 L131 A136 N302L128-I133 HydrophobicContact CD1-CD1 3.96Å; L128-I133 HydrophobicContact CD1-CG1 3.43Å; L128-I133 VanDerWaalsContact CD1-CG1 3.43Å; L128-I133 WeakPolarHBondContact CD1-O 3.23Å; L128-I133 HydrophobicContact CG-CG1 4.45Å; L128-I133 VanDerWaalsContact CG-O 3.24Å; L128-I133 WeakPolarHBondContact CG-O 3.47Å; L131-I133 VanDerWaalsContact C-N 3.26Å; L131-I133 HydrophobicContact CB-CD1 4.24Å; L131-I133 HydrophobicContact CB-CG1 4.01Å; L131-I133 HydrophobicContact CD1-CD1 4.08Å; L131-I133 PolarHBondContact O-N 2.95Å; I133-A136 HydrophobicContact CD1-CB 3.99Å; I133-N302 HydrophobicContact CD1-CB 4.1Å
134N92.8Very high93.7Very high73 Ų7323.6 Ų23.639%0.3913%0.131SC..SBendtrans-89.2-24.7-175.6-59.1-16000113.9E153 G154N134-E153 PolarHBondContact ND2-OE2 3.09Å; N134-E153 PolarHBondContact O-N 2.85Å; N134-G154 PolarHBondContact O-N 3.44Å
135S95.1Very high93.6Very high5 Ų526 Ų264%0.03514%0.143CC..  trans-128.3120-172.7-61.90000110.3I151 E153 Q298 N302S135-I151 CarbonylContact C-O 3.47Å; S135-I151 VanDerWaalsContact CA-O 3.27Å; S135-I151 WeakPolarHBondContact CA-O 3.48Å; S135-E153 PolarHBondContact OG-N 2.99Å; S135-Q298 PolarHBondContact OG-OE1 2.97Å; S135-N302 WeakPolarHBondContact O-CB 3.34Å; S135-N302 PolarHBondContact O-ND2 2.94Å
136A96.3Very high93.7Very high0 Ų024.8 Ų24.80%014%0.136CC..EExtended strand (participates in β ladder)trans-158.5153.4176.200000112.7L128 I133 I151 L299 N302 V304L128-A136 HydrophobicContact CD1-CB 3.36Å; I133-A136 HydrophobicContact CD1-CB 3.99Å; A136-I151 PolarHBondContact N-O 2.79Å; A136-I151 PolarHBondContact O-N 3.4Å; A136-I151 VanDerWaalsContact O-O 3.13Å; A136-L299 VanDerWaalsContact C-CD2 3.43Å; A136-L299 WeakPolarHBondContact O-CD2 3.24Å; A136-N302 CarbonylContact C-O 3.59Å; A136-N302 VanDerWaalsContact CA-O 3.28Å; A136-N302 WeakPolarHBondContact CA-O 3.47Å; A136-N302 HydrophobicContact CB-CB 3.97Å; A136-N302 WeakPolarHBondContact CB-O 3.3Å; A136-V304 HydrophobicContact CB-CG2 3.87Å
137M95.7Very high93.8Very high3 Ų325 Ų252%0.01514%0.137CC..EExtended strand (participates in β ladder)trans-86121.9163.7-176.764.178.600108.8V148 P150 I284 S287 L288 L299 N302 L303 V304M137-V148 HydrophobicContact CG-CG1 4.22Å; M137-V148 HydrophobicContact SD-CG1 3.36Å; M137-V148 WeakPolarHBondContact SD-CG1 3.42Å; M137-P150 HydrophobicContact CE-CB 3.8Å; M137-P150 HydrophobicContact CE-CG 4.25Å; M137-P150 HydrophobicContact SD-CB 3.78Å; M137-P150 HydrophobicContact SD-CG 4.26Å; M137-I284 HydrophobicContact CG-CG2 4.18Å; M137-S287 WeakPolarHBondContact CE-OG 3.46Å; M137-L288 HydrophobicContact CE-CB 4.15Å; M137-L288 HydrophobicContact CE-CD1 3.97Å; M137-L299 HydrophobicContact CB-CB 4.42Å; M137-L299 WeakPolarHBondContact CB-O 3.44Å; M137-N302 PolarHBondContact N-O 3.46Å; M137-L303 HydrophobicContact CB-CD1 3.79Å; M137-L303 HydrophobicContact CG-CD1 3.64Å; M137-V304 PolarHBondContact O-N 3.42Å
138V96.4Very high93.9Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans-111.3123.2-179.4-173.70000109.8H124 V148 L149 I151 V304 I306H124-V138 HydrophobicContact CB-CB 4.22Å; H124-V138 HydrophobicContact CB-CG1 4.17Å; V138-V148 WeakPolarHBondContact O-CA 3.3Å; V138-L149 PolarHBondContact N-O 3.21Å; V138-L149 PolarHBondContact O-N 3.46Å; V138-I151 HydrophobicContact CG2-CD1 4.15Å; V138-V304 WeakPolarHBondContact CA-O 3.44Å; V138-V304 HydrophobicContact CG2-CB 4.29Å; V138-I306 HydrophobicContact CG1-CD1 3.91Å; V138-I306 HydrophobicContact CG1-CG1 4.24Å
139L96.3Very high94Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans-105.2116.6170.3169.267.1000109.1V148 V280 I284 V304 V305 I306 L319L139-V148 HydrophobicContact CB-CG2 4.22Å; L139-V148 HydrophobicContact CD1-CG2 3.41Å; L139-V148 VanDerWaalsContact CD1-CG2 3.41Å; L139-V148 HydrophobicContact CG-CG2 4.4Å; L139-V280 HydrophobicContact CD1-CG1 4.12Å; L139-V280 HydrophobicContact CD2-CG1 3.63Å; L139-I284 HydrophobicContact CB-CD1 4.43Å; L139-I284 HydrophobicContact CB-CG1 4.5Å; L139-I284 HydrophobicContact CD2-CD1 3.84Å; L139-I284 HydrophobicContact CD2-CG1 4.45Å; L139-V304 PolarHBondContact N-O 3.36Å; L139-V305 HydrophobicContact CD2-CG1 4.26Å; L139-I306 PolarHBondContact O-N 3.37Å; L139-L319 HydrophobicContact CD2-CD2 3.92Å
140D95.8Very high94.2Very high26 Ų2622.4 Ų22.414%0.13912%0.124CC..EExtended strand (participates in β ladder)trans-104.2104.2173.1-172.43.7000111S123 H124 G142 S146 L147 I306 G307S123-D140 PolarHBondContact OG-OD2 3.46Å; H124-D140 WeakPolarHBondContact NE2-CB 3.33Å; D140-G142 PolarHBondContact O-N 3.44Å; D140-S146 CarbonylContact O-C 3.56Å; D140-S146 VanDerWaalsContact O-CA 3.3Å; D140-S146 WeakPolarHBondContact O-CA 3.37Å; D140-L147 PolarHBondContact N-O 3.03Å; D140-L147 PolarHBondContact O-N 3.36Å; D140-I306 HydrophobicContact CB-CD1 3.92Å; D140-I306 HydrophobicContact CB-CG1 3.68Å; D140-G307 WeakPolarHBondContact OD1-CA 3.1Å
141C94.8Very high94.3Very high0 Ų021.6 Ų21.60%012%0.119CC..EExtended strand (participates in β ladder)trans-92.785175.7-66.10000111.1S146 I306 G307 G308 T309C141-S146 PolarHBondContact SG-OG 2.67Å; C141-S146 VanDerWaalsContact SG-OG 3.39Å; C141-I306 PolarHBondContact N-O 3.22Å; C141-I306 VanDerWaalsContact N-O 3.11Å; C141-G307 CarbonylContact O-C 3.57Å; C141-G307 WeakPolarHBondContact O-CA 3.49Å; C141-G308 PolarHBondContact O-N 3.23Å; C141-G308 VanDerWaalsContact O-N 3.12Å; C141-T309 PolarHBondContact O-N 3.24Å; C141-T309 VanDerWaalsContact O-N 3.14Å; C141-T309 PolarHBondContact O-OG1 2.9Å
142G92.5Very high94.5Very high20 Ų2023 Ų2321%0.20612%0.122CC..  trans-81.6-163.6-177.900000115D140 E145 G168 T309D140-G142 PolarHBondContact O-N 3.44Å; G142-E145 WeakPolarHBondContact CA-O 3.46Å; G142-E145 PolarHBondContact N-O 3.18Å; G142-G168 PolarHBondContact O-N 3.17Å; G142-G168 VanDerWaalsContact O-N 3.1Å; G142-T309 PolarHBondContact O-OG1 2.83Å
143Y93Very high94.6Very high26 Ų2625.2 Ų25.210%0.10212%0.12CC..SBendtrans-77.9-51.3176.6-176.2-104000112E22 A23 R53 G167 G168 K169 H172E22-Y143 HydrophobicContact CB-CD1 4.03Å; E22-Y143 HydrophobicContact CG-CD1 4.06Å; E22-Y143 HydrophobicContact CG-CE1 4.39Å; A23-Y143 HydrophobicContact CB-CD1 4.33Å; A23-Y143 HydrophobicContact CB-CD2 3.56Å; A23-Y143 HydrophobicContact CB-CE2 4.12Å; A23-Y143 HydrophobicContact CB-CG 3.68Å; R53-Y143 PolarHBondContact NH2-OH 3.22Å; Y143-G167 CarbonylContact O-C 3.55Å; Y143-G168 CarbonylContact O-C 3.59Å; Y143-G168 PolarHBondContact O-N 3.07Å; Y143-K169 HydrophobicContact CD1-CB 4.22Å; Y143-K169 HydrophobicContact CE1-CB 3.89Å; Y143-K169 HydrophobicContact CE1-CD 4.3Å; Y143-K169 HydrophobicContact CE1-CG 4.23Å; Y143-K169 WeakPolarHBondContact O-CB 3.46Å; Y143-K169 PolarHBondContact O-N 3.18Å; Y143-H172 AromaticContact CE2-CD2 3.45Å; Y143-H172 VanDerWaalsContact CE2-CD2 3.45Å; Y143-H172 WeakPolarHBondContact CE2-CD2 3.33Å; Y143-H172 AromaticContact CE2-NE2 3.71Å; Y143-H172 AromaticContact CZ-CD2 3.96Å
144R91.9Very high94.3Very high106 Ų10623.8 Ų23.840%0.412%0.117SC..SBendtrans-79.2-44.4-175.8-168.1176.2174116.8-6.1112.9E22 Y57E22-R144 WeakPolarHBondContact OE2-CB 3.16Å; Y57-R144 VanDerWaalsContact CD2-NH1 3.32Å
145E92.2Very high94.2Very high52 Ų5226 Ų2624%0.24313%0.127CC..  trans-145.9158.4-168.563.2-169.3171.700110.5G142 L164G142-E145 WeakPolarHBondContact CA-O 3.46Å; G142-E145 PolarHBondContact N-O 3.18Å; E145-L164 CarbonylContact C-O 3.55Å; E145-L164 VanDerWaalsContact CA-O 3.24Å; E145-L164 WeakPolarHBondContact CA-O 3.34Å; E145-L164 WeakPolarHBondContact CB-O 3.09Å
146S94.5Very high94Very high0 Ų027.7 Ų27.70%014%0.138CC..EExtended strand (participates in β ladder)trans-103.5121.4164-70.70000108.7D140 C141 A163 L164 L166 L283D140-S146 CarbonylContact O-C 3.56Å; D140-S146 VanDerWaalsContact O-CA 3.3Å; D140-S146 WeakPolarHBondContact O-CA 3.37Å; C141-S146 PolarHBondContact SG-OG 2.67Å; C141-S146 VanDerWaalsContact SG-OG 3.39Å; S146-A163 VanDerWaalsContact O-CA 3.29Å; S146-A163 WeakPolarHBondContact O-CA 3.4Å; S146-L164 PolarHBondContact N-O 2.86Å; S146-L164 PolarHBondContact O-N 2.86Å; S146-L166 VanDerWaalsContact CB-O 3.29Å; S146-L166 WeakPolarHBondContact CB-O 3.37Å; S146-L166 PolarHBondContact N-O 3.15Å; S146-L166 PolarHBondContact OG-O 3.43Å; S146-L283 WeakPolarHBondContact O-CD2 3.47Å
147L95.3Very high93.9Very high6 Ų628.9 Ų28.93%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-114.1133.4-176.117754.3000109.7L96 H124 D140 W161 G162 A163L96-L147 HydrophobicContact CD1-CD1 3.68Å; L96-L147 HydrophobicContact CD1-CD2 4.01Å; L96-L147 HydrophobicContact CD1-CG 4.46Å; L96-L147 HydrophobicContact CG-CD1 4.25Å; L96-L147 HydrophobicContact CG-CD2 3.99Å; H124-L147 WeakPolarHBondContact CE1-CD2 3.31Å; D140-L147 PolarHBondContact N-O 3.03Å; D140-L147 PolarHBondContact O-N 3.36Å; L147-W161 HydrophobicContact CD1-CE3 3.86Å; L147-G162 WeakPolarHBondContact CD1-O 3.45Å; L147-A163 HydrophobicContact CD1-CB 4.1Å
148V96.2Very high93.6Very high0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-112.5129.6171175.70000108.5M137 V138 L139 W161 G162 L283 I284M137-V148 HydrophobicContact CG-CG1 4.22Å; M137-V148 HydrophobicContact SD-CG1 3.36Å; M137-V148 WeakPolarHBondContact SD-CG1 3.42Å; V138-V148 WeakPolarHBondContact O-CA 3.3Å; L139-V148 HydrophobicContact CB-CG2 4.22Å; L139-V148 HydrophobicContact CD1-CG2 3.41Å; L139-V148 VanDerWaalsContact CD1-CG2 3.41Å; L139-V148 HydrophobicContact CG-CG2 4.4Å; V148-W161 WeakPolarHBondContact O-CA 3.08Å; V148-G162 PolarHBondContact N-O 2.95Å; V148-G162 PolarHBondContact O-N 3.17Å; V148-G162 VanDerWaalsContact O-N 3.11Å; V148-L283 HydrophobicContact CB-CD2 4.32Å; V148-L283 HydrophobicContact CB-CG 4.17Å; V148-L283 HydrophobicContact CG2-CB 4.21Å; V148-L283 HydrophobicContact CG2-CD2 3.64Å; V148-L283 HydrophobicContact CG2-CG 3.66Å; V148-I284 HydrophobicContact CG2-CG1 4.03Å
149L95.7Very high93.3Very high3 Ų337.6 Ų37.62%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-138116.3173.9-173.765.5000110.3V95 H124 V138 P156 L158 W161V95-L149 HydrophobicContact CG2-CD2 3.68Å; H124-L149 HydrophobicContact CB-CB 4.24Å; H124-L149 HydrophobicContact CB-CD2 3.94Å; V138-L149 PolarHBondContact N-O 3.21Å; V138-L149 PolarHBondContact O-N 3.46Å; L149-P156 HydrophobicContact CD2-CB 3.88Å; L149-P156 HydrophobicContact CG-CB 4.3Å; L149-L158 HydrophobicContact CD1-CD2 4.3Å; L149-W161 HydrophobicContact CD1-CB 4.07Å
150P96.2Very high93.2Very high0 Ų037.6 Ų37.60%019%0.192CC..EExtended strand (participates in β ladder)trans-75.1138.6171.523.1-24.7000111M137 V157 C160 S287 L299M137-P150 HydrophobicContact CE-CB 3.8Å; M137-P150 HydrophobicContact CE-CG 4.25Å; M137-P150 HydrophobicContact SD-CB 3.78Å; M137-P150 HydrophobicContact SD-CG 4.26Å; P150-V157 HydrophobicContact CG-CB 4.19Å; P150-V157 PolarHBondContact O-N 3.42Å; P150-C160 HydrophobicContact CG-CB 3.66Å; P150-S287 WeakPolarHBondContact CD-OG 3.48Å; P150-L299 HydrophobicContact CB-CD1 3.82Å; P150-L299 HydrophobicContact CB-CD2 4.1Å
151I95.5Very high93Very high0 Ų041.7 Ų41.70%021%0.205CC..EExtended strand (participates in β ladder)trans-123.3128.5175.2-54.1177.9000107.7H124 L125 L128 S135 A136 V138 I155 P156 L299H124-I151 HydrophobicContact CB-CD1 4.03Å; H124-I151 WeakPolarHBondContact O-CD1 3.41Å; L125-I151 HydrophobicContact CB-CD1 4.28Å; L125-I151 HydrophobicContact CD1-CD1 4.29Å; L125-I151 HydrophobicContact CD1-CG2 4.23Å; L128-I151 HydrophobicContact CB-CD1 4.18Å; L128-I151 HydrophobicContact CD2-CB 3.77Å; L128-I151 HydrophobicContact CD2-CD1 3.95Å; L128-I151 HydrophobicContact CD2-CG1 4.46Å; L128-I151 HydrophobicContact CD2-CG2 3.48Å; L128-I151 VanDerWaalsContact CD2-CG2 3.48Å; S135-I151 CarbonylContact C-O 3.47Å; S135-I151 VanDerWaalsContact CA-O 3.27Å; S135-I151 WeakPolarHBondContact CA-O 3.48Å; A136-I151 PolarHBondContact N-O 2.79Å; A136-I151 PolarHBondContact O-N 3.4Å; A136-I151 VanDerWaalsContact O-O 3.13Å; V138-I151 HydrophobicContact CG2-CD1 4.15Å; I151-I155 WeakPolarHBondContact CA-O 3.4Å; I151-P156 HydrophobicContact CG1-CB 4.47Å; I151-L299 VanDerWaalsContact O-CD2 3.27Å; I151-L299 WeakPolarHBondContact O-CD2 3.3Å
152Y95.1Very high93Very high71 Ų7142.2 Ų42.228%0.27821%0.211SC..EExtended strand (participates in β ladder)trans-127.8125.6179.8-172.3-96.7000109.6G154 I155 T295 Q298Y152-G154 PolarHBondContact O-N 3.34Å; Y152-G154 VanDerWaalsContact O-N 3.17Å; Y152-I155 PolarHBondContact N-O 3.01Å; Y152-I155 PolarHBondContact O-N 3.17Å; Y152-T295 HydrophobicContact CD1-CG2 4.02Å; Y152-T295 HydrophobicContact CD2-CG2 3.65Å; Y152-T295 HydrophobicContact CE1-CG2 4.08Å; Y152-T295 HydrophobicContact CE2-CG2 3.71Å; Y152-T295 HydrophobicContact CG-CG2 3.8Å; Y152-Q298 VanDerWaalsContact CE2-OE1 3.23Å
153E93.2Very high93Very high92 Ų9242.8 Ų42.843%0.4321%0.214SC..THydrogen-bonded Turntrans47.541.9-176.9-64-59.6152.900113.7N134 S135 I155N134-E153 PolarHBondContact ND2-OE2 3.09Å; N134-E153 PolarHBondContact O-N 2.85Å; S135-E153 PolarHBondContact OG-N 2.99Å; E153-I155 VanDerWaalsContact C-N 3.27Å; E153-I155 PolarHBondContact O-N 3.46Å
154G86.5Confident93.1Very high16 Ų1642.3 Ų42.317%0.16521%0.213CC..THydrogen-bonded Turntrans78.41.3179.500000115.4N134 Y152N134-G154 PolarHBondContact O-N 3.44Å; Y152-G154 PolarHBondContact O-N 3.34Å; Y152-G154 VanDerWaalsContact O-N 3.17Å
155I90.3Very high93.1Very high119 Ų11942.3 Ų42.361%0.6123%0.227SC*.EExtended strand (participates in β ladder)trans-107.4124.2178.8-58.6173.2000109.5I151 Y152 E153 V157I151-I155 WeakPolarHBondContact CA-O 3.4Å; Y152-I155 PolarHBondContact N-O 3.01Å; Y152-I155 PolarHBondContact O-N 3.17Å; E153-I155 VanDerWaalsContact C-N 3.27Å; E153-I155 PolarHBondContact O-N 3.46Å; I155-V157 PolarHBondContact O-N 3.33Å
156P91.8Very high93Very high41 Ų4140.9 Ų40.927%0.26622%0.221SC..EExtended strand (participates in β ladder)trans-70.5127.717428.7-32.5000110.4L149 I151 L158L149-P156 HydrophobicContact CD2-CB 3.88Å; L149-P156 HydrophobicContact CG-CB 4.3Å; I151-P156 HydrophobicContact CG1-CB 4.47Å; P156-L158 PolarHBondContact O-N 3.27Å; P156-L158 VanDerWaalsContact O-N 3.1Å
157V92.4Very high92.8Very high26 Ų2640.9 Ų40.916%0.15822%0.221CC..  trans-86.883.3179.3-175.40000108.5P150 I155 N159 C160P150-V157 HydrophobicContact CG-CB 4.19Å; P150-V157 PolarHBondContact O-N 3.42Å; I155-V157 PolarHBondContact O-N 3.33Å; V157-N159 VanDerWaalsContact C-N 3.27Å; V157-N159 WeakPolarHBondContact CG1-OD1 3.46Å; V157-N159 PolarHBondContact O-N 3.09Å; V157-C160 HydrophobicContact CG1-CB 4.03Å; V157-C160 VanDerWaalsContact CG1-SG 3.52Å; V157-C160 PolarHBondContact O-N 3.46Å; V157-C160 VanDerWaalsContact O-N 3.14Å
158L90.4Very high92.6Very high69 Ų6940.7 Ų40.736%0.36122%0.22SC..G310 helixtrans-63.2-25.4-170.5-73.1174.8000114.5V95 L149 P156 C160 W387V95-L158 HydrophobicContact CG1-CD2 3.8Å; L149-L158 HydrophobicContact CD1-CD2 4.3Å; P156-L158 PolarHBondContact O-N 3.27Å; P156-L158 VanDerWaalsContact O-N 3.1Å; L158-C160 PolarHBondContact O-N 3.45Å; L158-W387 HydrophobicContact CD1-CE3 4.29Å; L158-W387 HydrophobicContact CD2-CE3 4.42Å
159N90.5Very high92.5Very high116 Ų11645.4 Ų45.462%0.6224%0.24SC*.G310 helixtrans-76.4-11.7178.663.5-58.8000113.4V157 Q290V157-N159 VanDerWaalsContact C-N 3.27Å; V157-N159 WeakPolarHBondContact CG1-OD1 3.46Å; V157-N159 PolarHBondContact O-N 3.09Å; N159-Q290 PolarHBondContact O-OE1 3.25Å
160C93.1Very high92.4Very high0 Ų046.3 Ų46.30%025%0.248CC..G310 helixtrans-109.120.2-176.2-55.90000112.7P150 V157 L158 S287 Q290P150-C160 HydrophobicContact CG-CB 3.66Å; V157-C160 HydrophobicContact CG1-CB 4.03Å; V157-C160 VanDerWaalsContact CG1-SG 3.52Å; V157-C160 PolarHBondContact O-N 3.46Å; V157-C160 VanDerWaalsContact O-N 3.14Å; L158-C160 PolarHBondContact O-N 3.45Å; C160-S287 WeakPolarHBondContact O-CB 3.36Å; C160-S287 PolarHBondContact O-OG 3.38Å; C160-Q290 HydrophobicContact CB-CB 3.96Å; C160-Q290 PolarHBondContact SG-O 3.45Å
161W93.1Very high92.2Very high112 Ų11246.4 Ų46.442%0.42425%0.249SC..  trans-75159.5178.575.7-69.4000112.1L96 L147 V148 L149 A163L96-W161 HydrophobicContact CD1-CE3 3.69Å; L96-W161 HydrophobicContact CD1-CH2 4.02Å; L96-W161 HydrophobicContact CD1-CZ3 3.27Å; L96-W161 HydrophobicContact CD2-CD2 4.23Å; L96-W161 HydrophobicContact CD2-CE3 3.95Å; L96-W161 HydrophobicContact CD2-CH2 4.04Å; L96-W161 HydrophobicContact CD2-CZ2 4.33Å; L96-W161 HydrophobicContact CD2-CZ3 3.86Å; L96-W161 HydrophobicContact CG-CE3 4.35Å; L96-W161 HydrophobicContact CG-CZ3 4.19Å; L147-W161 HydrophobicContact CD1-CE3 3.86Å; V148-W161 WeakPolarHBondContact O-CA 3.08Å; L149-W161 HydrophobicContact CD1-CB 4.07Å; W161-A163 HydrophobicContact CE3-CB 4.11Å; W161-A163 HydrophobicContact CZ3-CB 3.58Å
162G93.6Very high92.1Very high12 Ų1246.8 Ų46.812%0.12425%0.251CS..EExtended strand (participates in β ladder)trans-147.8140.8167.700000110.5L147 V148L147-G162 WeakPolarHBondContact CD1-O 3.45Å; V148-G162 PolarHBondContact N-O 2.95Å; V148-G162 PolarHBondContact O-N 3.17Å; V148-G162 VanDerWaalsContact O-N 3.11Å
163A93.8Very high92Very high31 Ų3150.6 Ų50.626%0.25627%0.268SS..EExtended strand (participates in β ladder)trans-131.2147171.700000111.6L96 S146 L147 W161L96-A163 HydrophobicContact CD1-CB 3.95Å; S146-A163 VanDerWaalsContact O-CA 3.29Å; S146-A163 WeakPolarHBondContact O-CA 3.4Å; L147-A163 HydrophobicContact CD1-CB 4.1Å; W161-A163 HydrophobicContact CE3-CB 4.11Å; W161-A163 HydrophobicContact CZ3-CB 3.58Å
164L93.3Very high91.9Very high16 Ų1648.3 Ų48.38%0.08426%0.258CS..EExtended strand (participates in β ladder)trans-127.3143.4171-63.4173.6000109.4E145 S146 L166 K278 S279 L283E145-L164 CarbonylContact C-O 3.55Å; E145-L164 VanDerWaalsContact CA-O 3.24Å; E145-L164 WeakPolarHBondContact CA-O 3.34Å; E145-L164 WeakPolarHBondContact CB-O 3.09Å; S146-L164 PolarHBondContact N-O 2.86Å; S146-L164 PolarHBondContact O-N 2.86Å; L164-L166 HydrophobicContact CB-CB 4.22Å; L164-L166 HydrophobicContact CB-CD1 4.27Å; L164-L166 HydrophobicContact CB-CG 4.28Å; L164-L166 HydrophobicContact CD1-CD1 4.08Å; L164-L166 PolarHBondContact O-N 3.26Å; L164-K278 HydrophobicContact CD1-CB 4.38Å; L164-K278 HydrophobicContact CD2-CB 4.03Å; L164-K278 HydrophobicContact CD2-CD 3.93Å; L164-K278 HydrophobicContact CD2-CG 4.38Å; L164-S279 WeakPolarHBondContact CD1-O 3.47Å; L164-L283 HydrophobicContact CD1-CB 4.09Å; L164-L283 HydrophobicContact CD1-CD1 4.2Å; L164-L283 HydrophobicContact CD1-CD2 4.12Å; L164-L283 HydrophobicContact CD1-CG 4.38Å; L164-L283 HydrophobicContact CD2-CD1 4.48Å; L164-L283 HydrophobicContact CG-CD1 3.92Å; L164-L283 HydrophobicContact CG-CD2 4Å; L164-L283 HydrophobicContact CG-CG 4.42Å
165P92.2Very high92.2Very high107 Ų10747.7 Ų47.770%0.69525%0.251SS*.SBendtrans-73.531.7172.634.7-37000112.3
166L90.4Very high92.2Very high22 Ų2245.4 Ų45.412%0.11524%0.238CC..  trans-103.297.4177.1-68.5172.7000107.8S146 L164 A170S146-L166 VanDerWaalsContact CB-O 3.29Å; S146-L166 WeakPolarHBondContact CB-O 3.37Å; S146-L166 PolarHBondContact N-O 3.15Å; S146-L166 PolarHBondContact OG-O 3.43Å; L164-L166 HydrophobicContact CB-CB 4.22Å; L164-L166 HydrophobicContact CB-CD1 4.27Å; L164-L166 HydrophobicContact CB-CG 4.28Å; L164-L166 HydrophobicContact CD1-CD1 4.08Å; L164-L166 PolarHBondContact O-N 3.26Å; L166-A170 HydrophobicContact CD2-CB 4.45Å
167G90.1Very high92.1Very high0 Ų046.1 Ų46.10%024%0.241CC..SBendtrans-147.7-159177.900000111.4Y143 K169 A170 L171Y143-G167 CarbonylContact O-C 3.55Å; G167-K169 PolarHBondContact O-N 2.7Å; G167-A170 PolarHBondContact O-N 3.4Å; G167-L171 PolarHBondContact O-N 3.21Å
168G92.2Very high92Very high1 Ų146 Ų461%0.0124%0.239CC..Hα-helixtrans-54.4-37.4175.700000114G142 Y143 L171 H172G142-G168 PolarHBondContact O-N 3.17Å; G142-G168 VanDerWaalsContact O-N 3.1Å; Y143-G168 CarbonylContact O-C 3.59Å; Y143-G168 PolarHBondContact O-N 3.07Å; G168-L171 WeakPolarHBondContact O-CB 3.37Å; G168-L171 PolarHBondContact O-N 3.19Å; G168-H172 PolarHBondContact O-CD2 2.85Å; G168-H172 PolarHBondContact O-N 3.06Å
169K93.2Very high91.8Very high99 Ų9942.8 Ų42.843%0.4322%0.222SC..Hα-helixtrans-67.9-38-179.6-171174.6-174.9170.60112.8Y143 G167 H172 K173Y143-K169 HydrophobicContact CD1-CB 4.22Å; Y143-K169 HydrophobicContact CE1-CB 3.89Å; Y143-K169 HydrophobicContact CE1-CD 4.3Å; Y143-K169 HydrophobicContact CE1-CG 4.23Å; Y143-K169 WeakPolarHBondContact O-CB 3.46Å; Y143-K169 PolarHBondContact O-N 3.18Å; G167-K169 PolarHBondContact O-N 2.7Å; K169-H172 PolarHBondContact O-N 3.5Å; K169-K173 PolarHBondContact O-N 2.84Å
170A93.3Very high91.6Very high23 Ų2341.1 Ų41.119%0.1921%0.213CC..Hα-helixtrans-65.3-43.9174.800000110.6L166 G167 H172 K173 E174 I269L166-A170 HydrophobicContact CD2-CB 4.45Å; G167-A170 PolarHBondContact O-N 3.4Å; A170-H172 VanDerWaalsContact C-N 3.33Å; A170-H172 PolarHBondContact O-N 2.87Å; A170-K173 PolarHBondContact O-N 3.49Å; A170-E174 PolarHBondContact O-N 2.85Å; A170-I269 HydrophobicContact CB-CD1 4.48Å
171L93.2Very high91.2Very high1 Ų147.4 Ų47.41%0.00524%0.242CC..Hα-helixtrans-59.1-42.4173.4-71.3174.7000112.3G167 G168 E174 L175 K211 V266 I269 L270 T309 L312G167-L171 PolarHBondContact O-N 3.21Å; G168-L171 WeakPolarHBondContact O-CB 3.37Å; G168-L171 PolarHBondContact O-N 3.19Å; L171-E174 PolarHBondContact O-N 3.01Å; L171-L175 VanDerWaalsContact O-CB 3.24Å; L171-L175 WeakPolarHBondContact O-CB 3.13Å; L171-L175 PolarHBondContact O-N 3.22Å; L171-K211 HydrophobicContact CB-CD 4.12Å; L171-K211 HydrophobicContact CD1-CD 4.13Å; L171-V266 HydrophobicContact CD2-CG1 3.95Å; L171-V266 WeakPolarHBondContact CD2-O 3.1Å; L171-I269 HydrophobicContact CD2-CD1 3.99Å; L171-I269 HydrophobicContact CD2-CG1 4.16Å; L171-L270 HydrophobicContact CD1-CD1 3.98Å; L171-L270 HydrophobicContact CD2-CD1 3.36Å; L171-L270 HydrophobicContact CG-CD1 3.63Å; L171-T309 HydrophobicContact CD1-CG2 3.64Å; L171-L312 HydrophobicContact CD1-CD1 4.2Å
172H93.1Very high90.6Very high9 Ų945.5 Ų45.54%0.04224%0.238CC..Hα-helixtrans-60.4-49.8175.6-76.8-56.5000112Y143 G168 K169 A170 E174 L175 E176 L207 E208 K211Y143-H172 AromaticContact CE2-CD2 3.45Å; Y143-H172 VanDerWaalsContact CE2-CD2 3.45Å; Y143-H172 WeakPolarHBondContact CE2-CD2 3.33Å; Y143-H172 AromaticContact CE2-NE2 3.71Å; Y143-H172 AromaticContact CZ-CD2 3.96Å; G168-H172 PolarHBondContact O-CD2 2.85Å; G168-H172 PolarHBondContact O-N 3.06Å; K169-H172 PolarHBondContact O-N 3.5Å; A170-H172 VanDerWaalsContact C-N 3.33Å; A170-H172 PolarHBondContact O-N 2.87Å; H172-E174 VanDerWaalsContact C-N 3.3Å; H172-E174 PolarHBondContact O-N 3.05Å; H172-L175 PolarHBondContact O-N 2.81Å; H172-E176 WeakPolarHBondContact O-CB 3.22Å; H172-E176 PolarHBondContact O-N 2.87Å; H172-L207 HydrophobicContact CB-CD2 3.74Å; H172-L207 WeakPolarHBondContact ND1-CD2 2.96Å; H172-L207 WeakPolarHBondContact ND1-CG 3.45Å; H172-L207 WeakPolarHBondContact O-CD2 3.43Å; H172-E208 WeakPolarHBondContact CE1-CG 3.32Å; H172-E208 WeakPolarHBondContact NE2-CG 3.47Å; H172-K211 PolarHBondContact CE1-NZ 3.45Å; H172-K211 PolarHBondContact NE2-NZ 3.12Å
173K92.7Very high89.8Confident150 Ų15045.1 Ų45.165%0.65223%0.233SC*.Hα-helixtrans-58.1-45.2179.7-171.9-178.3177.2-170.80111.4K169 A170 E176 T177K169-K173 PolarHBondContact O-N 2.84Å; A170-K173 PolarHBondContact O-N 3.49Å; K173-E176 PolarHBondContact O-N 2.75Å; K173-T177 PolarHBondContact O-N 3.46Å; K173-T177 PolarHBondContact O-OG1 3.36Å; K173-T177 VanDerWaalsContact O-OG1 3.09Å
174E91.5Very high89.2Confident45 Ų4545.9 Ų45.921%0.2124%0.235CC..Hα-helixtrans-65.3-43.1178.4-173.561.6-156.500112.1A170 L171 H172 E176 T177 Q178 V266 I269A170-E174 PolarHBondContact O-N 2.85Å; L171-E174 PolarHBondContact O-N 3.01Å; H172-E174 VanDerWaalsContact C-N 3.3Å; H172-E174 PolarHBondContact O-N 3.05Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 3.23Å; E174-T177 PolarHBondContact O-N 2.73Å; E174-Q178 HydrophobicContact CG-CG 4.26Å; E174-Q178 WeakPolarHBondContact O-CB 3.47Å; E174-Q178 VanDerWaalsContact O-CG 3.26Å; E174-Q178 WeakPolarHBondContact O-CG 3.39Å; E174-Q178 PolarHBondContact O-N 3.44Å; E174-Q178 WeakPolarHBondContact OE1-CG 3.27Å; E174-Q178 PolarHBondContact OE1-NE2 2.99Å; E174-V266 HydrophobicContact CG-CB 4.47Å; E174-V266 HydrophobicContact CG-CG2 4.17Å; E174-I269 HydrophobicContact CB-CD1 3.63Å; E174-I269 HydrophobicContact CG-CD1 4.01Å; E174-I269 HydrophobicContact CG-CG2 3.9Å
175L91.6Very high88.7Confident2 Ų245.1 Ų45.11%0.0123%0.231CC..Hα-helixtrans-61.8-42.5177.6-151.4173.8000110.5L171 H172 L179 L207 I210 K211 V266L171-L175 VanDerWaalsContact O-CB 3.24Å; L171-L175 WeakPolarHBondContact O-CB 3.13Å; L171-L175 PolarHBondContact O-N 3.22Å; H172-L175 PolarHBondContact O-N 2.81Å; L175-L179 HydrophobicContact CD2-CD1 3.22Å; L175-L179 HydrophobicContact CD2-CD2 4.2Å; L175-L179 HydrophobicContact CD2-CG 3.45Å; L175-L179 VanDerWaalsContact CD2-CG 3.45Å; L175-L179 VanDerWaalsContact O-CB 3.3Å; L175-L179 WeakPolarHBondContact O-CB 3.48Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 3.22Å; L175-L207 HydrophobicContact CB-CD1 3.9Å; L175-L207 HydrophobicContact CB-CG 4.36Å; L175-L207 HydrophobicContact CD1-CD1 3.93Å; L175-L207 HydrophobicContact CD1-CG 4.25Å; L175-L207 HydrophobicContact CD2-CD1 3.38Å; L175-L207 HydrophobicContact CG-CD1 3.9Å; L175-I210 HydrophobicContact CD1-CG2 4.18Å; L175-I210 HydrophobicContact CD2-CG2 4.15Å; L175-K211 HydrophobicContact CD1-CB 4.02Å; L175-V266 HydrophobicContact CB-CG1 4.09Å; L175-V266 HydrophobicContact CB-CG2 4.24Å; L175-V266 HydrophobicContact CG-CG1 4.31Å; L175-V266 HydrophobicContact CG-CG2 4.26Å
176E91.2Very high88.1Confident72 Ų7241.6 Ų41.634%0.33621%0.206SC..Hα-helixtrans-61.3-45.9175.6-174.2173.8-154.700111.6H172 K173 E174 L180 S201 L207H172-E176 WeakPolarHBondContact O-CB 3.22Å; H172-E176 PolarHBondContact O-N 2.87Å; K173-E176 PolarHBondContact O-N 2.75Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 3.23Å; E176-L180 WeakPolarHBondContact O-CB 3.23Å; E176-L180 PolarHBondContact O-N 2.87Å; E176-S201 PolarHBondContact OE1-OG 2.6Å; E176-L207 HydrophobicContact CB-CD2 4.31Å
177T90.4Very high87.5Confident56 Ų5642.1 Ų42.134%0.34421%0.21SC..Hα-helixtrans-61.5-50.4176.9-59.50000111.9K173 E174 L179 L180 E181K173-T177 PolarHBondContact O-N 3.46Å; K173-T177 PolarHBondContact O-OG1 3.36Å; K173-T177 VanDerWaalsContact O-OG1 3.09Å; E174-T177 PolarHBondContact O-N 2.73Å; T177-L179 PolarHBondContact O-N 3.06Å; T177-L180 PolarHBondContact O-N 3.5Å; T177-E181 WeakPolarHBondContact O-CG 3.35Å; T177-E181 PolarHBondContact O-N 3.21Å
178Q88.6Confident86.6Confident23 Ų2347.2 Ų47.211%0.10725%0.246CC..Hα-helixtrans-66.7-37.7-177.5-66.8-70.2-20.600112.6E174 E181 Q182 I262 V266E174-Q178 HydrophobicContact CG-CG 4.26Å; E174-Q178 WeakPolarHBondContact O-CB 3.47Å; E174-Q178 VanDerWaalsContact O-CG 3.26Å; E174-Q178 WeakPolarHBondContact O-CG 3.39Å; E174-Q178 PolarHBondContact O-N 3.44Å; E174-Q178 WeakPolarHBondContact OE1-CG 3.27Å; E174-Q178 PolarHBondContact OE1-NE2 2.99Å; Q178-E181 PolarHBondContact O-N 3.29Å; Q178-Q182 PolarHBondContact O-N 3.14Å; Q178-Q182 VanDerWaalsContact O-N 3.13Å; Q178-I262 HydrophobicContact CB-CG1 4.34Å; Q178-I262 HydrophobicContact CB-CG2 3.7Å; Q178-V266 HydrophobicContact CB-CG2 4.4Å; Q178-V266 HydrophobicContact CG-CG2 4.18Å
179L87.3Confident85.4Confident1 Ų151.7 Ų51.71%0.00528%0.283CS..Hα-helixtrans-62.7-46.8174.1-75.8-178.4000110.8L175 T177 E181 Q182 C183 L195 L207 I210 L256 V258 I262L175-L179 HydrophobicContact CD2-CD1 3.22Å; L175-L179 HydrophobicContact CD2-CD2 4.2Å; L175-L179 HydrophobicContact CD2-CG 3.45Å; L175-L179 VanDerWaalsContact CD2-CG 3.45Å; L175-L179 VanDerWaalsContact O-CB 3.3Å; L175-L179 WeakPolarHBondContact O-CB 3.48Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 3.22Å; T177-L179 PolarHBondContact O-N 3.06Å; L179-E181 PolarHBondContact O-N 2.89Å; L179-Q182 PolarHBondContact O-N 3.14Å; L179-C183 HydrophobicContact CB-CB 4.38Å; L179-C183 HydrophobicContact CD2-CB 3.91Å; L179-C183 WeakPolarHBondContact O-CB 3.44Å; L179-C183 PolarHBondContact O-N 3.28Å; L179-L195 HydrophobicContact CB-CD1 3.81Å; L179-L195 WeakPolarHBondContact O-CD1 3.49Å; L179-L207 HydrophobicContact CD1-CD1 4.09Å; L179-I210 HydrophobicContact CD1-CD1 4.25Å; L179-L256 HydrophobicContact CD2-CD2 4.12Å; L179-V258 HydrophobicContact CD2-CG1 4.49Å; L179-V258 HydrophobicContact CD2-CG2 4.5Å; L179-I262 HydrophobicContact CD2-CD1 4.33Å
180L86.4Confident84.1Confident81 Ų8148.6 Ų48.642%0.42428%0.276SS..Hα-helixtrans-59.8-34.9-178-168.967000112.5E176 T177 P196E176-L180 WeakPolarHBondContact O-CB 3.23Å; E176-L180 PolarHBondContact O-N 2.87Å; T177-L180 PolarHBondContact O-N 3.5Å; L180-P196 HydrophobicContact CD1-CB 3.75Å; L180-P196 HydrophobicContact CD1-CG 4.34Å; L180-P196 HydrophobicContact CG-CB 4.49Å; L180-P196 WeakPolarHBondContact O-CD 3.5Å
181E84.3Confident82.8Confident132 Ų13255.7 Ų55.762%0.61730%0.302SS*.Hα-helixtrans-79.6-41.5-178.6-70.5177.1-176.500113.9T177 Q178 L179T177-E181 WeakPolarHBondContact O-CG 3.35Å; T177-E181 PolarHBondContact O-N 3.21Å; Q178-E181 PolarHBondContact O-N 3.29Å; L179-E181 PolarHBondContact O-N 2.89Å
182Q81.2Confident81.5Confident72 Ų7262.9 Ų62.934%0.33634%0.336SS..Hα-helixtrans-122.2-6.8-160.6-66.6166.132.900114.5Q178 L179 L259 I262Q178-Q182 PolarHBondContact O-N 3.14Å; Q178-Q182 VanDerWaalsContact O-N 3.13Å; L179-Q182 PolarHBondContact O-N 3.14Å; Q182-L259 HydrophobicContact CB-CD1 4.23Å; Q182-L259 WeakPolarHBondContact O-CD1 3.42Å; Q182-I262 HydrophobicContact CB-CD1 3.96Å; Q182-I262 HydrophobicContact CB-CG1 4.46Å
183C76.7Confident80.3Confident4 Ų466 Ų663%0.02735%0.35CS..  trans-97.8141.2-171.6-165.60000112.9L179 L195 L256 H257L179-C183 HydrophobicContact CB-CB 4.38Å; L179-C183 HydrophobicContact CD2-CB 3.91Å; L179-C183 WeakPolarHBondContact O-CB 3.44Å; L179-C183 PolarHBondContact O-N 3.28Å; C183-L195 HydrophobicContact CB-CD1 3.5Å; C183-L195 HydrophobicContact CB-CG 4.16Å; C183-L195 PolarHBondContact O-N 2.84Å; C183-L256 WeakPolarHBondContact SG-CD2 3.37Å; C183-L256 VanDerWaalsContact SG-CG 3.5Å; C183-H257 PolarHBondContact SG-O 2.95Å
184T79.8Confident79.1Confident47 Ų4762 Ų6229%0.28834%0.341SS..EExtended strand (participates in β ladder)trans-105149.917453.80000111.2Q193 H257T184-Q193 CarbonylContact C-O 3.56Å; T184-Q193 WeakPolarHBondContact CA-O 3.27Å; T184-H257 PolarHBondContact O-N 2.77Å
185V82.8Confident77.8Confident0 Ų060 Ų600%033%0.332CS..EExtended strand (participates in β ladder)trans-122.3130.3177-176.60000109.7T187 Q193 L195 K254 I255V185-T187 HydrophobicContact CG1-CG2 4.46Å; V185-Q193 PolarHBondContact N-O 3.38Å; V185-Q193 PolarHBondContact O-N 3.49Å; V185-L195 HydrophobicContact CG2-CD2 3.15Å; V185-L195 HydrophobicContact CG2-CG 3.58Å; V185-K254 HydrophobicContact CG1-CB 4.33Å; V185-I255 WeakPolarHBondContact CA-O 3.48Å
186D81Confident76.4Confident34 Ų3463.3 Ų63.318%0.18235%0.353CS..EExtended strand (participates in β ladder)trans-93.6125.7168-816.1000109.2K191 E192 K254 I255 H257D186-K191 WeakPolarHBondContact OD1-CA 3.42Å; D186-E192 PolarHBondContact OD1-N 3.38Å; D186-K254 WeakPolarHBondContact O-CA 3.3Å; D186-I255 HydrophobicContact CB-CB 4.38Å; D186-I255 PolarHBondContact N-O 3.08Å; D186-I255 PolarHBondContact O-N 3.39Å; D186-H257 VanDerWaalsContact CG-NE2 3.32Å; D186-H257 IonicContact OD1-CD2 2.74Å; D186-H257 IonicContact OD1-NE2 3.32Å; D186-H257 IonicContact OD2-NE2 3.61Å; D186-H257 PolarHBondContact OD2-NE2 2.85Å
187T78.1Confident75Confident33 Ų3364.8 Ų64.820%0.20237%0.372CS..EExtended strand (participates in β ladder)trans-107158.6168.363.40000109.3V185 A189 A190 K254V185-T187 HydrophobicContact CG1-CG2 4.46Å; T187-A189 PolarHBondContact O-N 2.94Å; T187-A190 PolarHBondContact N-O 3.1Å; T187-A190 CarbonylContact O-C 3.57Å; T187-A190 PolarHBondContact O-N 3.43Å; T187-A190 PolarHBondContact OG1-N 2.88Å; T187-A190 PolarHBondContact OG1-O 2.84Å; T187-K254 HydrophobicContact CG2-CG 4.43Å
188S69.7Low73.8Confident106 Ų10664.5 Ų64.574%0.74137%0.37SS*.SBendtrans-54.3-24.5174.153.90000113.9
189A67.7Low72.8Confident96 Ų9665.2 Ų65.279%0.79337%0.374SS*.SBendtrans-99.1-26.1-178.700000114.5T187T187-A189 PolarHBondContact O-N 2.94Å
190A64.6Low71.9Confident33 Ų3368.5 Ų68.527%0.27341%0.407SS..  trans-152.6132.9-176.300000111.5T187 Q193T187-A190 PolarHBondContact N-O 3.1Å; T187-A190 CarbonylContact O-C 3.57Å; T187-A190 PolarHBondContact O-N 3.43Å; T187-A190 PolarHBondContact OG1-N 2.88Å; T187-A190 PolarHBondContact OG1-O 2.84Å; A190-Q193 HydrophobicContact CB-CG 4.22Å; A190-Q193 VanDerWaalsContact CB-NE2 3.32Å
191K66.6Low71.4Confident173 Ų17368.2 Ų68.275%0.75241%0.413SS*.SBendtrans-87.3149.5174.8-64.9-177.4175.6-175.20110.8D186D186-K191 WeakPolarHBondContact OD1-CA 3.42Å
192E65.4Low71.2Confident152 Ų15262.6 Ų62.671%0.7139%0.387SS*.SBendtrans60.544171.8-57.8-178169.600116D186D186-E192 PolarHBondContact OD1-N 3.38Å
193Q69.1Low71.5Confident74 Ų7462.6 Ų62.635%0.34639%0.393SS..EExtended strand (participates in β ladder)trans-82.1138.9170.4-65.9-176-19.200111.1T184 V185 A190 V198T184-Q193 CarbonylContact C-O 3.56Å; T184-Q193 WeakPolarHBondContact CA-O 3.27Å; V185-Q193 PolarHBondContact N-O 3.38Å; V185-Q193 PolarHBondContact O-N 3.49Å; A190-Q193 HydrophobicContact CB-CG 4.22Å; A190-Q193 VanDerWaalsContact CB-NE2 3.32Å; Q193-V198 HydrophobicContact CB-CG2 3.78Å; Q193-V198 VanDerWaalsContact OE1-CG2 3.31Å
194S66.8Low71.9Confident66 Ų6667.1 Ų67.146%0.46241%0.414SS..EExtended strand (participates in β ladder)trans-65.4136.1173.4-52.70000110.9P196 S197S194-P196 VanDerWaalsContact C-CD 3.41Å; S194-S197 WeakPolarHBondContact O-CB 3.27Å; S194-S197 PolarHBondContact O-N 3.22Å; S194-S197 VanDerWaalsContact O-N 3.09Å
195L65.1Low72.3Confident4 Ų467.2 Ų67.22%0.02142%0.424CS..Hα-helixtrans-45.4-47.7175.2-89.3178.5000115.6L179 C183 V185 S197 V198 M199 L256L179-L195 HydrophobicContact CB-CD1 3.81Å; L179-L195 WeakPolarHBondContact O-CD1 3.49Å; C183-L195 HydrophobicContact CB-CD1 3.5Å; C183-L195 HydrophobicContact CB-CG 4.16Å; C183-L195 PolarHBondContact O-N 2.84Å; V185-L195 HydrophobicContact CG2-CD2 3.15Å; V185-L195 HydrophobicContact CG2-CG 3.58Å; L195-S197 PolarHBondContact O-N 3.29Å; L195-S197 VanDerWaalsContact O-N 3.13Å; L195-V198 PolarHBondContact O-N 2.6Å; L195-M199 PolarHBondContact O-N 3.02Å; L195-M199 VanDerWaalsContact O-O 3.1Å; L195-L256 HydrophobicContact CD1-CD1 3.97Å; L195-L256 HydrophobicContact CD2-CD1 3.97Å; L195-L256 HydrophobicContact CG-CD1 4.49Å
196P62.7Low72.6Confident70 Ų7068.4 Ų68.446%0.45543%0.432SS..Hα-helixtrans-61.1-25.2-177.220.8-33.4000113.8L180 S194 V198L180-P196 HydrophobicContact CD1-CB 3.75Å; L180-P196 HydrophobicContact CD1-CG 4.34Å; L180-P196 HydrophobicContact CG-CB 4.49Å; L180-P196 WeakPolarHBondContact O-CD 3.5Å; S194-P196 VanDerWaalsContact C-CD 3.41Å; P196-V198 VanDerWaalsContact C-N 3.34Å
197S61Low73.1Confident104 Ų10467 Ų6773%0.72742%0.424SS*.Hα-helixtrans-79.6-18.5178.6-55.10000112.9S194 L195S194-S197 WeakPolarHBondContact O-CB 3.27Å; S194-S197 PolarHBondContact O-N 3.22Å; S194-S197 VanDerWaalsContact O-N 3.09Å; L195-S197 PolarHBondContact O-N 3.29Å; L195-S197 VanDerWaalsContact O-N 3.13Å
198V65.6Low73.7Confident49 Ų4967.2 Ų67.230%0.29742%0.423SS..Hα-helixtrans-109.8-42.3-173.4-173.80000111.9Q193 L195 P196Q193-V198 HydrophobicContact CB-CG2 3.78Å; Q193-V198 VanDerWaalsContact OE1-CG2 3.31Å; L195-V198 PolarHBondContact O-N 2.6Å; P196-V198 VanDerWaalsContact C-N 3.34Å
199M66.8Low74.7Confident39 Ų3965.1 Ų65.119%0.19240%0.403CS..  trans-145.1127178.9-67.4-171.3-6200110.8L195 L250L195-M199 PolarHBondContact O-N 3.02Å; L195-M199 VanDerWaalsContact O-O 3.1Å; M199-L250 HydrophobicContact CE-CD1 3.63Å; M199-L250 HydrophobicContact CE-CD2 3.86Å; M199-L250 HydrophobicContact CE-CG 4.39Å; M199-L250 HydrophobicContact SD-CD2 4.49Å
200G68.4Low75.8Confident69 Ų6960.5 Ų60.571%0.71137%0.365SS*.SBendtrans-73.5-24.5-178.700000115.2
201S76.5Confident77.1Confident76 Ų7660.2 Ų60.253%0.53136%0.358SS..SBendtrans-156.3141.5175.7175.80000110.4E176E176-S201 PolarHBondContact OE1-OG 2.6Å
202V80.7Confident78.4Confident13 Ų1357.2 Ų57.28%0.07935%0.354CS..  trans-89.6135.5-179.9-177.30000108.9V206V202-V206 HydrophobicContact CG1-CB 4.06Å; V202-V206 HydrophobicContact CG1-CG1 3.86Å
203P86.3Confident79.5Confident72 Ų7256.5 Ų56.547%0.46834%0.344SS..  trans-62.5139.9178.324.9-33.4000111.8G205 V206 L207P203-G205 PolarHBondContact O-N 3.34Å; P203-G205 VanDerWaalsContact O-N 3.15Å; P203-V206 HydrophobicContact CG-CB 4.02Å; P203-V206 HydrophobicContact CG-CG2 3.7Å; P203-V206 PolarHBondContact O-N 2.92Å; P203-L207 PolarHBondContact O-N 2.92Å
204E85.6Confident80.4Confident99 Ų9953.5 Ų53.546%0.46333%0.331SS..Hα-helixtrans-56-36-175.6-64.7-177.7141.900113.2R53 V206 L207 E208R53-E204 IonicContact CZ-OE2 3.1Å; R53-E204 IonicContact NE-OE2 3.57Å; R53-E204 PolarHBondContact NE-OE2 2.87Å; R53-E204 IonicContact NH2-OE1 2.69Å; R53-E204 PolarHBondContact NH2-OE1 3.37Å; R53-E204 IonicContact NH2-OE2 2.8Å; R53-E204 PolarHBondContact NH2-OE2 3.42Å; E204-V206 VanDerWaalsContact C-N 3.33Å; E204-V206 PolarHBondContact O-N 2.88Å; E204-L207 WeakPolarHBondContact O-CB 3.35Å; E204-L207 PolarHBondContact O-N 2.87Å; E204-L207 VanDerWaalsContact O-N 3.17Å; E204-E208 WeakPolarHBondContact O-CG 3.5Å; E204-E208 PolarHBondContact O-N 2.94Å
205G87.2Confident81.5Confident49 Ų4950.6 Ų50.651%0.50531%0.311SS..Hα-helixtrans-65.2-34178.300000113.7P203 D209P203-G205 PolarHBondContact O-N 3.34Å; P203-G205 VanDerWaalsContact O-N 3.15Å; G205-D209 PolarHBondContact O-N 2.86Å
206V89.4Confident82.7Confident25 Ų2552.9 Ų52.915%0.15232%0.321CS..Hα-helixtrans-71.7-38.6173.5170.20000110V202 P203 E204 E208 D209 I210 Y248V202-V206 HydrophobicContact CG1-CB 4.06Å; V202-V206 HydrophobicContact CG1-CG1 3.86Å; P203-V206 HydrophobicContact CG-CB 4.02Å; P203-V206 HydrophobicContact CG-CG2 3.7Å; P203-V206 PolarHBondContact O-N 2.92Å; E204-V206 VanDerWaalsContact C-N 3.33Å; E204-V206 PolarHBondContact O-N 2.88Å; V206-E208 VanDerWaalsContact C-N 3.33Å; V206-E208 PolarHBondContact O-N 3.39Å; V206-D209 PolarHBondContact O-N 3.2Å; V206-I210 HydrophobicContact CG1-CD1 3.89Å; V206-I210 HydrophobicContact CG1-CG1 4.35Å; V206-I210 VanDerWaalsContact O-CG1 3.32Å; V206-I210 WeakPolarHBondContact O-CG1 3.47Å; V206-I210 PolarHBondContact O-N 2.94Å; V206-Y248 HydrophobicContact CG1-CE1 3.62Å
207L91.1Very high84.1Confident4 Ų450 Ų502%0.02130%0.302CS..Hα-helixtrans-65.2-36.8177.4-15864000112.3H172 L175 E176 L179 P203 E204 K211H172-L207 HydrophobicContact CB-CD2 3.74Å; H172-L207 WeakPolarHBondContact ND1-CD2 2.96Å; H172-L207 WeakPolarHBondContact ND1-CG 3.45Å; H172-L207 WeakPolarHBondContact O-CD2 3.43Å; L175-L207 HydrophobicContact CB-CD1 3.9Å; L175-L207 HydrophobicContact CB-CG 4.36Å; L175-L207 HydrophobicContact CD1-CD1 3.93Å; L175-L207 HydrophobicContact CD1-CG 4.25Å; L175-L207 HydrophobicContact CD2-CD1 3.38Å; L175-L207 HydrophobicContact CG-CD1 3.9Å; E176-L207 HydrophobicContact CB-CD2 4.31Å; L179-L207 HydrophobicContact CD1-CD1 4.09Å; P203-L207 PolarHBondContact O-N 2.92Å; E204-L207 WeakPolarHBondContact O-CB 3.35Å; E204-L207 PolarHBondContact O-N 2.87Å; E204-L207 VanDerWaalsContact O-N 3.17Å; L207-K211 VanDerWaalsContact O-CB 3.3Å; L207-K211 WeakPolarHBondContact O-CB 3.48Å; L207-K211 PolarHBondContact O-N 3.03Å
208E90.9Very high85.6Confident39 Ų3945.2 Ų45.218%0.18227%0.268CS..Hα-helixtrans-61.1-44.5170.4-76.4-177.9169.600111.7H172 E204 V206 K211 V212H172-E208 WeakPolarHBondContact CE1-CG 3.32Å; H172-E208 WeakPolarHBondContact NE2-CG 3.47Å; E204-E208 WeakPolarHBondContact O-CG 3.5Å; E204-E208 PolarHBondContact O-N 2.94Å; V206-E208 VanDerWaalsContact C-N 3.33Å; V206-E208 PolarHBondContact O-N 3.39Å; E208-K211 PolarHBondContact O-N 3.11Å; E208-V212 VanDerWaalsContact O-CG2 3.32Å; E208-V212 WeakPolarHBondContact O-CG2 3.34Å; E208-V212 PolarHBondContact O-N 2.64Å
209D91.9Very high86.8Confident61 Ų6147.3 Ų47.333%0.32628%0.278SS..Hα-helixtrans-68.9-42.7-179-164.412.2000112.4G205 V206 K211 V212 R213 Y248G205-D209 PolarHBondContact O-N 2.86Å; V206-D209 PolarHBondContact O-N 3.2Å; D209-K211 VanDerWaalsContact C-N 3.31Å; D209-K211 PolarHBondContact O-N 2.81Å; D209-V212 PolarHBondContact O-N 3.03Å; D209-R213 WeakPolarHBondContact O-CB 2.6Å; D209-R213 WeakPolarHBondContact O-CG 3.03Å; D209-R213 PolarHBondContact O-N 2.75Å; D209-R213 WeakPolarHBondContact OD1-CD 3.46Å; D209-R213 IonicContact OD1-CZ 3.49Å; D209-R213 IonicContact OD1-NE 3.86Å; D209-R213 PolarHBondContact OD1-NE 3.17Å; D209-R213 IonicContact OD1-NH2 2.85Å; D209-R213 IonicContact OD2-CZ 2.77Å; D209-R213 IonicContact OD2-NE 3.75Å; D209-R213 PolarHBondContact OD2-NE 3.19Å; D209-R213 IonicContact OD2-NH2 3.24Å; D209-R213 PolarHBondContact OD2-NH2 3.39Å; D209-Y248 PolarHBondContact OD2-OH 3.26Å
210I91.2Very high88Confident0 Ų046.9 Ų46.90%028%0.276CS..Hα-helixtrans-56.7-47.6171.2-66.7167.6000109.8L175 L179 V206 V212 R213 T214 Y248 V258L175-I210 HydrophobicContact CD1-CG2 4.18Å; L175-I210 HydrophobicContact CD2-CG2 4.15Å; L179-I210 HydrophobicContact CD1-CD1 4.25Å; V206-I210 HydrophobicContact CG1-CD1 3.89Å; V206-I210 HydrophobicContact CG1-CG1 4.35Å; V206-I210 VanDerWaalsContact O-CG1 3.32Å; V206-I210 WeakPolarHBondContact O-CG1 3.47Å; V206-I210 PolarHBondContact O-N 2.94Å; I210-V212 VanDerWaalsContact C-N 3.35Å; I210-V212 PolarHBondContact O-N 3.3Å; I210-R213 PolarHBondContact O-N 2.99Å; I210-T214 HydrophobicContact CG2-CG2 4.34Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.25Å; I210-T214 WeakPolarHBondContact O-CB 3.42Å; I210-T214 PolarHBondContact O-N 2.86Å; I210-T214 PolarHBondContact O-OG1 2.91Å; I210-Y248 HydrophobicContact CB-CE2 4.41Å; I210-Y248 HydrophobicContact CD1-CD1 4.24Å; I210-Y248 HydrophobicContact CD1-CE1 4.36Å; I210-Y248 HydrophobicContact CD1-CG 4.34Å; I210-Y248 HydrophobicContact CG1-CD1 4.08Å; I210-Y248 HydrophobicContact CG1-CD2 3.54Å; I210-Y248 HydrophobicContact CG1-CE1 4.08Å; I210-Y248 HydrophobicContact CG1-CE2 3.45Å; I210-Y248 VanDerWaalsContact CG1-CE2 3.45Å; I210-Y248 HydrophobicContact CG1-CG 3.84Å; I210-V258 HydrophobicContact CG2-CG2 4.41Å
211K91.9Very high89.1Confident27 Ų2751.8 Ų51.812%0.11728%0.278CS..Hα-helixtrans-60.7-42.7-179.9-178-179.166.9-173.40112.2L171 H172 L175 L207 E208 D209 C215L171-K211 HydrophobicContact CB-CD 4.12Å; L171-K211 HydrophobicContact CD1-CD 4.13Å; H172-K211 PolarHBondContact CE1-NZ 3.45Å; H172-K211 PolarHBondContact NE2-NZ 3.12Å; L175-K211 HydrophobicContact CD1-CB 4.02Å; L207-K211 VanDerWaalsContact O-CB 3.3Å; L207-K211 WeakPolarHBondContact O-CB 3.48Å; L207-K211 PolarHBondContact O-N 3.03Å; E208-K211 PolarHBondContact O-N 3.11Å; D209-K211 VanDerWaalsContact C-N 3.31Å; D209-K211 PolarHBondContact O-N 2.81Å; K211-C215 VanDerWaalsContact O-CB 3.29Å; K211-C215 WeakPolarHBondContact O-CB 3.34Å; K211-C215 PolarHBondContact O-N 3.1Å
212V92.1Very high89.6Confident109 Ų10951.4 Ų51.466%0.66127%0.265SS*.Hα-helixtrans-71.6-39.1-179.21720000111.9E208 D209 I210E208-V212 VanDerWaalsContact O-CG2 3.32Å; E208-V212 WeakPolarHBondContact O-CG2 3.34Å; E208-V212 PolarHBondContact O-N 2.64Å; D209-V212 PolarHBondContact O-N 3.03Å; I210-V212 VanDerWaalsContact C-N 3.35Å; I210-V212 PolarHBondContact O-N 3.3Å
213R89.4Confident90Very high137 Ų13750.8 Ų50.852%0.51726%0.261SS..Hα-helixtrans-84.6-35.6-174.9-68.5-164.3-87.1158.7-13.1114.2D209 I210 Y248D209-R213 WeakPolarHBondContact O-CB 2.6Å; D209-R213 WeakPolarHBondContact O-CG 3.03Å; D209-R213 PolarHBondContact O-N 2.75Å; D209-R213 WeakPolarHBondContact OD1-CD 3.46Å; D209-R213 IonicContact OD1-CZ 3.49Å; D209-R213 IonicContact OD1-NE 3.86Å; D209-R213 PolarHBondContact OD1-NE 3.17Å; D209-R213 IonicContact OD1-NH2 2.85Å; D209-R213 IonicContact OD2-CZ 2.77Å; D209-R213 IonicContact OD2-NE 3.75Å; D209-R213 PolarHBondContact OD2-NE 3.19Å; D209-R213 IonicContact OD2-NH2 3.24Å; D209-R213 PolarHBondContact OD2-NH2 3.39Å; I210-R213 PolarHBondContact O-N 2.99Å; R213-Y248 PolarHBondContact NH2-OH 3.24Å
214T88.2Confident90Very high12 Ų1250.1 Ų50.17%0.07425%0.253CS..Hα-helixtrans-110.2-34.4-16771.20000114.1I210 V246I210-T214 HydrophobicContact CG2-CG2 4.34Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.25Å; I210-T214 WeakPolarHBondContact O-CB 3.42Å; I210-T214 PolarHBondContact O-N 2.86Å; I210-T214 PolarHBondContact O-OG1 2.91Å; T214-V246 HydrophobicContact CG2-CB 4.48Å; T214-V246 HydrophobicContact CG2-CG1 4.18Å
215C90Very high90.1Very high5 Ų551.3 Ų51.33%0.03426%0.257CS..  trans-76.9140.7-175.9-62.80000111.3K211 V267K211-C215 VanDerWaalsContact O-CB 3.29Å; K211-C215 WeakPolarHBondContact O-CB 3.34Å; K211-C215 PolarHBondContact O-N 3.1Å; C215-V267 HydrophobicContact CB-CG2 3.85Å
216F90Very high90Very high52 Ų5250 Ų5023%0.22824%0.238CC..  trans-141.4157.6173.671.6-79.3000109.9P243 R263 D264 P313F216-P243 HydrophobicContact CE1-CB 4.29Å; F216-P243 HydrophobicContact CE1-CG 3.89Å; F216-P243 HydrophobicContact CZ-CB 4.32Å; F216-P243 HydrophobicContact CZ-CG 3.82Å; F216-R263 HydrophobicContact CE1-CG 4.15Å; F216-R263 VanDerWaalsContact CE1-NE 3.26Å; F216-D264 WeakPolarHBondContact CE1-OD1 3.47Å; F216-D264 WeakPolarHBondContact CZ-OD1 3.37Å; F216-P313 HydrophobicContact CB-CG 3.85Å
217V92.4Very high89.8Confident9 Ų950.1 Ų50.16%0.05524%0.237CC..PPolyproline II helixtrans-88125.6-178.2-175.80000109.1V267 F271 L312 P313 F315 R318V217-V267 HydrophobicContact CB-CG1 4.19Å; V217-V267 HydrophobicContact CG1-CG1 4.31Å; V217-V267 HydrophobicContact CG2-CG1 3.65Å; V217-F271 HydrophobicContact CG1-CE2 3.9Å; V217-L312 HydrophobicContact CG2-CB 3.73Å; V217-L312 HydrophobicContact CG2-CD1 4.39Å; V217-P313 WeakPolarHBondContact CB-O 3.45Å; V217-P313 PolarHBondContact N-O 3.03Å; V217-F315 HydrophobicContact CG2-CB 3.97Å; V217-F315 HydrophobicContact CG2-CD2 4.11Å; V217-R318 HydrophobicContact CG1-CB 3.45Å; V217-R318 VanDerWaalsContact CG1-CB 3.45Å; V217-R318 HydrophobicContact CG1-CG 3.65Å
218S91.1Very high89.4Confident3 Ų351.9 Ų51.92%0.02125%0.252CS..PPolyproline II helixtrans-75.7149.2175.4-75.70000112.3R318S218-R318 VanDerWaalsContact O-CD 3.26Å; S218-R318 WeakPolarHBondContact O-CD 3.4Å; S218-R318 WeakPolarHBondContact O-CG 3.45Å; S218-R318 PolarHBondContact O-NH1 3.01Å
219D92.4Very high89Confident93 Ų9350.4 Ų50.450%0.49725%0.247SC..PPolyproline II helixtrans-63.8156.4171.5-72.7-35.9000112.6K221 R222 G223 H317D219-K221 PolarHBondContact O-N 2.94Å; D219-R222 WeakPolarHBondContact O-CB 3.25Å; D219-R222 PolarHBondContact O-N 3.43Å; D219-G223 PolarHBondContact O-N 3.15Å; D219-H317 IonicContact OD1-CE1 3.6Å; D219-H317 IonicContact OD1-ND1 3.51Å; D219-H317 PolarHBondContact OD1-ND1 2.87Å
220L91.4Very high88.3Confident30 Ų3050.8 Ų50.816%0.15725%0.245CC..Hα-helixtrans-50.8-50.4-179177.566.5000113.2R222 G223 L224 A321 E322 Y325L220-R222 VanDerWaalsContact C-N 3.25Å; L220-R222 PolarHBondContact O-N 2.68Å; L220-G223 PolarHBondContact O-N 2.68Å; L220-L224 HydrophobicContact CD1-CD1 4.32Å; L220-L224 HydrophobicContact CD1-CG 4.33Å; L220-L224 HydrophobicContact CG-CD1 4.24Å; L220-L224 WeakPolarHBondContact O-CG 3.1Å; L220-L224 PolarHBondContact O-N 3.4Å; L220-A321 HydrophobicContact CB-CB 4.14Å; L220-A321 HydrophobicContact CD2-CB 4.28Å; L220-E322 WeakPolarHBondContact CD1-OE2 3.02Å; L220-Y325 HydrophobicContact CD2-CG 4.19Å
221K90.6Very high87.2Confident173 Ų17357.1 Ų57.175%0.75227%0.273SS*.Hα-helixtrans-62-34.5-179.3-64.9-178.3-178178.50112.5D219 K225D219-K221 PolarHBondContact O-N 2.94Å; K221-K225 WeakPolarHBondContact O-CG 3.26Å; K221-K225 PolarHBondContact O-N 2.76Å
222R88.6Confident86Confident67 Ų6758.5 Ų58.525%0.25328%0.282SS..Hα-helixtrans-74.5-44.8178-175.5179.9179.8117.38.6110D219 L220 L224 K225 I226 P240 S241 P243 D264D219-R222 WeakPolarHBondContact O-CB 3.25Å; D219-R222 PolarHBondContact O-N 3.43Å; L220-R222 VanDerWaalsContact C-N 3.25Å; L220-R222 PolarHBondContact O-N 2.68Å; R222-L224 PolarHBondContact O-N 2.98Å; R222-K225 WeakPolarHBondContact O-CB 3.42Å; R222-K225 PolarHBondContact O-N 2.96Å; R222-K225 VanDerWaalsContact O-N 3.14Å; R222-I226 HydrophobicContact CG-CD1 4.06Å; R222-I226 WeakPolarHBondContact O-CG1 3.31Å; R222-I226 PolarHBondContact O-N 3.41Å; R222-P240 HydrophobicContact CG-CG 4.3Å; R222-S241 PolarHBondContact NH2-O 3.33Å; R222-P243 VanDerWaalsContact NH2-CD 3.32Å; R222-D264 IonicContact CZ-OD2 3.56Å; R222-D264 IonicContact NE-OD2 3.1Å; R222-D264 PolarHBondContact NE-OD2 3.3Å; R222-D264 IonicContact NH2-OD2 2.69Å; R222-D264 PolarHBondContact NH2-OD2 3.14Å
223G87.7Confident84.2Confident0 Ų061 Ų610%029%0.29CS..Hα-helixtrans-55.3-48.3174.800000112.4D219 L220 K225 I226 Q227 E268D219-G223 PolarHBondContact O-N 3.15Å; L220-G223 PolarHBondContact O-N 2.68Å; G223-K225 VanDerWaalsContact C-N 3.3Å; G223-K225 PolarHBondContact O-N 2.81Å; G223-I226 WeakPolarHBondContact O-CA 3.28Å; G223-I226 WeakPolarHBondContact O-CB 3.42Å; G223-I226 PolarHBondContact O-N 3.42Å; G223-Q227 WeakPolarHBondContact O-CG 3.39Å; G223-Q227 PolarHBondContact O-N 2.67Å; G223-E268 WeakPolarHBondContact CA-OE1 3.37Å; G223-E268 WeakPolarHBondContact CA-OE2 3.35Å
224L87.6Confident82.4Confident58 Ų5861.2 Ų61.230%0.30430%0.301SS..Hα-helixtrans-59-38.3176.5-69172.9000113.1L220 R222 A228L220-L224 HydrophobicContact CD1-CD1 4.32Å; L220-L224 HydrophobicContact CD1-CG 4.33Å; L220-L224 HydrophobicContact CG-CD1 4.24Å; L220-L224 WeakPolarHBondContact O-CG 3.1Å; L220-L224 PolarHBondContact O-N 3.4Å; R222-L224 PolarHBondContact O-N 2.98Å; L224-A228 WeakPolarHBondContact O-CB 3.31Å; L224-A228 PolarHBondContact O-N 3.17Å
225K87.6Confident80.8Confident125 Ų12563.9 Ų63.954%0.54333%0.331SS..Hα-helixtrans-68.3-38.1174.6-71.8-179.8177.2-168.40112.2K221 R222 G223 A229 P240K221-K225 WeakPolarHBondContact O-CG 3.26Å; K221-K225 PolarHBondContact O-N 2.76Å; R222-K225 WeakPolarHBondContact O-CB 3.42Å; R222-K225 PolarHBondContact O-N 2.96Å; R222-K225 VanDerWaalsContact O-N 3.14Å; G223-K225 VanDerWaalsContact C-N 3.3Å; G223-K225 PolarHBondContact O-N 2.81Å; K225-A229 VanDerWaalsContact O-CB 3.3Å; K225-A229 WeakPolarHBondContact O-CB 3.34Å; K225-A229 PolarHBondContact O-N 3.21Å; K225-P240 HydrophobicContact CB-CG 4.27Å
226I85.3Confident79.3Confident20 Ų2070.6 Ų70.610%0.10337%0.367CS..Hα-helixtrans-63.9-47.1175.8-67.1164.5000109.7R222 G223 A229 K230 P240 D264 E268R222-I226 HydrophobicContact CG-CD1 4.06Å; R222-I226 WeakPolarHBondContact O-CG1 3.31Å; R222-I226 PolarHBondContact O-N 3.41Å; G223-I226 WeakPolarHBondContact O-CA 3.28Å; G223-I226 WeakPolarHBondContact O-CB 3.42Å; G223-I226 PolarHBondContact O-N 3.42Å; I226-A229 CarbonylContact O-C 3.56Å; I226-A229 PolarHBondContact O-N 3.38Å; I226-A229 VanDerWaalsContact O-N 3.17Å; I226-K230 WeakPolarHBondContact O-CG 3.36Å; I226-K230 PolarHBondContact O-N 3.03Å; I226-P240 HydrophobicContact CG1-CG 4.01Å; I226-D264 HydrophobicContact CD1-CB 4.11Å; I226-E268 HydrophobicContact CG2-CG 4.31Å
227Q84.3Confident78Confident28 Ų2872.4 Ų72.413%0.13138%0.379CS..Hα-helixtrans-59.6-49176.3-68.2175.57.300111.2G223 A229 K230 F231 E268G223-Q227 WeakPolarHBondContact O-CG 3.39Å; G223-Q227 PolarHBondContact O-N 2.67Å; Q227-A229 PolarHBondContact O-N 3.29Å; Q227-K230 PolarHBondContact O-N 3.38Å; Q227-K230 VanDerWaalsContact O-N 3.08Å; Q227-F231 WeakPolarHBondContact O-CD2 3.27Å; Q227-F231 PolarHBondContact O-N 2.98Å; Q227-E268 HydrophobicContact CG-CG 4.18Å; Q227-E268 PolarHBondContact NE2-OE1 3.31Å
228A83.4Confident76.6Confident41 Ų4180.4 Ų80.434%0.33942%0.416SS..Hα-helixtrans-57.3-38.1175.700000112.2L224 N232L224-A228 WeakPolarHBondContact O-CB 3.31Å; L224-A228 PolarHBondContact O-N 3.17Å; A228-N232 PolarHBondContact O-N 2.86Å; A228-N232 PolarHBondContact O-OD1 3.08Å
229A80.8Confident75.6Confident8 Ų888.2 Ų88.27%0.06644%0.444CS..Hα-helixtrans-75-25.117800000114.4K225 I226 Q227 R239K225-A229 VanDerWaalsContact O-CB 3.3Å; K225-A229 WeakPolarHBondContact O-CB 3.34Å; K225-A229 PolarHBondContact O-N 3.21Å; I226-A229 CarbonylContact O-C 3.56Å; I226-A229 PolarHBondContact O-N 3.38Å; I226-A229 VanDerWaalsContact O-N 3.17Å; Q227-A229 PolarHBondContact O-N 3.29Å; A229-R239 HydrophobicContact CB-CG 3.49Å; A229-R239 VanDerWaalsContact CB-CG 3.49Å
230K77.1Confident74.9Confident69 Ų6985.2 Ų85.230%0.343%0.43SS..Hα-helixtrans-69.8-41.9172.7-75.3-174-178.1-174.90111.2I226 Q227 N232 S265 E272I226-K230 WeakPolarHBondContact O-CG 3.36Å; I226-K230 PolarHBondContact O-N 3.03Å; Q227-K230 PolarHBondContact O-N 3.38Å; Q227-K230 VanDerWaalsContact O-N 3.08Å; K230-N232 PolarHBondContact O-N 2.94Å; K230-S265 WeakPolarHBondContact CE-OG 3.41Å; K230-E272 IonicContact NZ-OE2 3.75Å; K230-E272 PolarHBondContact NZ-OE2 2.98Å
231F70.1Confident74.3Confident134 Ų13488.4 Ų88.459%0.58846%0.455SS*.SBendtrans-93.818.8-177-65.2-75000114.2Q227 I233 E272Q227-F231 WeakPolarHBondContact O-CD2 3.27Å; Q227-F231 PolarHBondContact O-N 2.98Å; F231-I233 PolarHBondContact O-N 3.46Å; F231-E272 WeakPolarHBondContact CE2-OE1 3.4Å
232N64.8Low73.8Confident55 Ų5584 Ų8429%0.29444%0.444SS..  trans-62102.6-179.2-92.8-18.8000112.5A228 K230 N237A228-N232 PolarHBondContact O-N 2.86Å; A228-N232 PolarHBondContact O-OD1 3.08Å; K230-N232 PolarHBondContact O-N 2.94Å; N232-N237 PolarHBondContact ND2-O 3.43Å; N232-N237 WeakPolarHBondContact OD1-CB 3.39Å; N232-N237 PolarHBondContact OD1-ND2 3.14Å
233I54.5Low73.5Confident162 Ų16281.5 Ų81.583%0.83144%0.437SS*.SBendtrans-85.2-31.8164.5-66.9161.7000110.6F231F231-I233 PolarHBondContact O-N 3.46Å
234D51.8Low73.5Confident142 Ų14285.9 Ų85.976%0.75947%0.465SS*.SBendtrans-1027.9-168.3-67.9-32.5000115.5N236D234-N236 PolarHBondContact O-N 3.2Å
235G56.2Low73.5Confident68 Ų6887.6 Ų87.670%0.70148%0.475SS*.SBendtrans65-0.8171.200000117.6
236N57.6Low73.5Confident145 Ų14584.2 Ų84.278%0.77546%0.464SS*.  trans-99.1-11.4-170.3-113.72.6000115.5D234 E238D234-N236 PolarHBondContact O-N 3.2Å; N236-E238 PolarHBondContact O-N 3.04Å
237N62.4Low73.6Confident90 Ų9087.8 Ų87.848%0.48148%0.483SS..  trans-91.2108.4179.4-54.4-46.3000110.7N232N232-N237 PolarHBondContact ND2-O 3.43Å; N232-N237 WeakPolarHBondContact OD1-CB 3.39Å; N232-N237 PolarHBondContact OD1-ND2 3.14Å
238E63.9Low73.8Confident178 Ų17887 Ų8783%0.83248%0.479SS*.PPolyproline II helixtrans-67.4131.4174.1-65.2-178.2168.600111.1N236N236-E238 PolarHBondContact O-N 3.04Å
239R69.9Low74Confident166 Ų16688.6 Ų88.663%0.62649%0.486SS*.PPolyproline II helixtrans-60.8136.6168.6-77.9-177.5179.2-179.70.1108.7A229A229-R239 HydrophobicContact CB-CG 3.49Å; A229-R239 VanDerWaalsContact CB-CG 3.49Å
240P77.2Confident74Confident31 Ų3189.2 Ų89.220%0.20149%0.488CS..PPolyproline II helixtrans-59.1150.1173.626.3-32.5000109.7R222 K225 I226 P242R222-P240 HydrophobicContact CG-CG 4.3Å; K225-P240 HydrophobicContact CB-CG 4.27Å; I226-P240 HydrophobicContact CG1-CG 4.01Å; P240-P242 VanDerWaalsContact O-N 3.11Å
241S79.5Confident73.9Confident96 Ų9690.6 Ų90.667%0.67150%0.499SS*.PPolyproline II helixtrans-50.7121.4179.757.60000110.1R222R222-S241 PolarHBondContact NH2-O 3.33Å
242P79.1Confident73.8Confident80 Ų8088.1 Ų88.152%0.51951%0.511SS..PPolyproline II helixtrans-65.1152.8-176.127.6-34000109.3P240P240-P242 VanDerWaalsContact O-N 3.11Å
243P82.7Confident74.4Confident16 Ų1692.4 Ų92.410%0.10453%0.529CS..PPolyproline II helixtrans-66.3172.4169.91.812000112.1F216 R222 G260 R263 D264F216-P243 HydrophobicContact CE1-CB 4.29Å; F216-P243 HydrophobicContact CE1-CG 3.89Å; F216-P243 HydrophobicContact CZ-CB 4.32Å; F216-P243 HydrophobicContact CZ-CG 3.82Å; R222-P243 VanDerWaalsContact NH2-CD 3.32Å; P243-G260 VanDerWaalsContact CD-C 3.49Å; P243-G260 VanDerWaalsContact CD-O 3.25Å; P243-G260 WeakPolarHBondContact CD-O 3.29Å; P243-G260 WeakPolarHBondContact CG-O 3.45Å; P243-R263 VanDerWaalsContact CB-NE 3.28Å; P243-R263 HydrophobicContact CG-CG 4.48Å; P243-D264 VanDerWaalsContact CG-CG 3.45Å; P243-D264 WeakPolarHBondContact CG-OD1 3.15Å; P243-D264 VanDerWaalsContact CG-OD2 3.3Å; P243-D264 WeakPolarHBondContact CG-OD2 3.39Å
244P86.9Confident75.8Confident92 Ų9286.9 Ų86.960%0.59750%0.499SS*.PPolyproline II helixtrans-62.3141.6175.427.2-34.7000111.7R263P244-R263 PolarHBondContact O-NH1 3.23Å
245N87.9Confident77.5Confident94 Ų9483.5 Ų83.550%0.50348%0.48SS..PPolyproline II helixtrans-68.2151170.5-58-24.2000109.7V258 L259 G260N245-V258 WeakPolarHBondContact CA-O 3.3Å; N245-L259 WeakPolarHBondContact OD1-CA 3.38Å; N245-G260 PolarHBondContact OD1-N 3.39Å
246V87.6Confident78.9Confident54 Ų5480.2 Ų80.233%0.32745%0.447SS..EExtended strand (participates in β ladder)trans-131129.8-179.1-179.70000109.4T214 V258T214-V246 HydrophobicContact CG2-CB 4.48Å; T214-V246 HydrophobicContact CG2-CG1 4.18Å; V246-V258 PolarHBondContact N-O 3.19Å; V246-V258 WeakPolarHBondContact O-CA 3.42Å; V246-V258 WeakPolarHBondContact O-CB 3.32Å; V246-V258 PolarHBondContact O-N 3.38Å
247D88.4Confident80.3Confident94 Ų9475.2 Ų75.250%0.50342%0.419SS..EExtended strand (participates in β ladder)trans-89.5123.6178.8-55-15.7000109.1I255 H257D247-I255 HydrophobicContact CB-CG2 3.86Å; D247-H257 VanDerWaalsContact CG-CE1 3.46Å; D247-H257 IonicContact OD1-CE1 3.69Å; D247-H257 PolarHBondContact OD1-CE1 3.24Å; D247-H257 IonicContact OD1-CG 3.95Å; D247-H257 IonicContact OD1-ND1 2.75Å; D247-H257 PolarHBondContact OD1-ND1 3.14Å; D247-H257 IonicContact OD2-CE1 2.64Å; D247-H257 IonicContact OD2-ND1 3.3Å
248Y87.9Confident81.5Confident12 Ų1271.1 Ų71.15%0.04740%0.397CS..EExtended strand (participates in β ladder)trans-108.6115.9-178.1-175.1-84.4000110.2V206 D209 I210 R213 L250 L256V206-Y248 HydrophobicContact CG1-CE1 3.62Å; D209-Y248 PolarHBondContact OD2-OH 3.26Å; I210-Y248 HydrophobicContact CB-CE2 4.41Å; I210-Y248 HydrophobicContact CD1-CD1 4.24Å; I210-Y248 HydrophobicContact CD1-CE1 4.36Å; I210-Y248 HydrophobicContact CD1-CG 4.34Å; I210-Y248 HydrophobicContact CG1-CD1 4.08Å; I210-Y248 HydrophobicContact CG1-CD2 3.54Å; I210-Y248 HydrophobicContact CG1-CE1 4.08Å; I210-Y248 HydrophobicContact CG1-CE2 3.45Å; I210-Y248 VanDerWaalsContact CG1-CE2 3.45Å; I210-Y248 HydrophobicContact CG1-CG 3.84Å; R213-Y248 PolarHBondContact NH2-OH 3.24Å; Y248-L250 PolarHBondContact O-N 3.19Å; Y248-L256 PolarHBondContact N-O 2.86Å; Y248-L256 PolarHBondContact O-N 2.81Å
249P87.6Confident82.6Confident75 Ų7565.1 Ų65.149%0.48737%0.37SS..EExtended strand (participates in β ladder)trans-74.4123.4175.329.6-32.4000110.2
250L81.3Confident83.4Confident20 Ų2057.2 Ų57.211%0.10534%0.34CS..SBendtrans-90.4-66.9-174.9-139147000111M199 Y248 K254 L256M199-L250 HydrophobicContact CE-CD1 3.63Å; M199-L250 HydrophobicContact CE-CD2 3.86Å; M199-L250 HydrophobicContact CE-CG 4.39Å; M199-L250 HydrophobicContact SD-CD2 4.49Å; Y248-L250 PolarHBondContact O-N 3.19Å; L250-K254 HydrophobicContact CB-CB 4.19Å; L250-K254 PolarHBondContact N-O 3.44Å; L250-L256 HydrophobicContact CD1-CB 4.07Å; L250-L256 HydrophobicContact CD1-CD1 3.65Å
251D74.8Confident83.8Confident99 Ų9957.8 Ų57.853%0.52935%0.345SS..SBendtrans-13554.7-178.4-60.5-38000111.3E253 K254D251-E253 PolarHBondContact O-N 3.26Å; D251-K254 WeakPolarHBondContact OD2-CE 3.39Å; D251-K254 IonicContact OD2-NZ 3.7Å; D251-K254 PolarHBondContact OD2-NZ 3.49Å
252G67.6Low84.2Confident81 Ų8153.3 Ų53.384%0.83531%0.314SS*.SBendtrans66.5-32.9175.500000117.1
253E78.6Confident84.5Confident145 Ų14551.1 Ų51.168%0.67830%0.295SS*.SBendtrans-113.8-16.2-177.1-60.4-177.717100112.6D251D251-E253 PolarHBondContact O-N 3.26Å
254K82.9Confident84.6Confident46 Ų4650.7 Ų50.720%0.229%0.292CS..EExtended strand (participates in β ladder)trans-112.7123.1180-65.9175.5-68-179.40109.7V185 D186 T187 L250 D251V185-K254 HydrophobicContact CG1-CB 4.33Å; D186-K254 WeakPolarHBondContact O-CA 3.3Å; T187-K254 HydrophobicContact CG2-CG 4.43Å; L250-K254 HydrophobicContact CB-CB 4.19Å; L250-K254 PolarHBondContact N-O 3.44Å; D251-K254 WeakPolarHBondContact OD2-CE 3.39Å; D251-K254 IonicContact OD2-NZ 3.7Å; D251-K254 PolarHBondContact OD2-NZ 3.49Å
255I86.6Confident84.7Confident71 Ų7147.2 Ų47.236%0.36427%0.27SS..EExtended strand (participates in β ladder)trans-112.2129174.8-59175.2000108.2V185 D186 D247V185-I255 WeakPolarHBondContact CA-O 3.48Å; D186-I255 HydrophobicContact CB-CB 4.38Å; D186-I255 PolarHBondContact N-O 3.08Å; D186-I255 PolarHBondContact O-N 3.39Å; D247-I255 HydrophobicContact CB-CG2 3.86Å
256L86.4Confident84.8Confident0 Ų042.8 Ų42.80%025%0.246CC..EExtended strand (participates in β ladder)trans-105.3120.2-179.1-178.6157.3000108.8L179 C183 L195 Y248 L250 V258L179-L256 HydrophobicContact CD2-CD2 4.12Å; C183-L256 WeakPolarHBondContact SG-CD2 3.37Å; C183-L256 VanDerWaalsContact SG-CG 3.5Å; L195-L256 HydrophobicContact CD1-CD1 3.97Å; L195-L256 HydrophobicContact CD2-CD1 3.97Å; L195-L256 HydrophobicContact CG-CD1 4.49Å; Y248-L256 PolarHBondContact N-O 2.86Å; Y248-L256 PolarHBondContact O-N 2.81Å; L250-L256 HydrophobicContact CD1-CB 4.07Å; L250-L256 HydrophobicContact CD1-CD1 3.65Å; L256-V258 HydrophobicContact CD2-CB 4.32Å; L256-V258 HydrophobicContact CD2-CG2 3.2Å; L256-V258 PolarHBondContact O-N 2.92Å
257H87.1Confident85Confident40 Ų4040.4 Ų40.419%0.18523%0.232CC..EExtended strand (participates in β ladder)trans-88.993.6-178-68.5-74000111C183 T184 D186 D247 L259C183-H257 PolarHBondContact SG-O 2.95Å; T184-H257 PolarHBondContact O-N 2.77Å; D186-H257 VanDerWaalsContact CG-NE2 3.32Å; D186-H257 IonicContact OD1-CD2 2.74Å; D186-H257 IonicContact OD1-NE2 3.32Å; D186-H257 IonicContact OD2-NE2 3.61Å; D186-H257 PolarHBondContact OD2-NE2 2.85Å; D247-H257 VanDerWaalsContact CG-CE1 3.46Å; D247-H257 IonicContact OD1-CE1 3.69Å; D247-H257 PolarHBondContact OD1-CE1 3.24Å; D247-H257 IonicContact OD1-CG 3.95Å; D247-H257 IonicContact OD1-ND1 2.75Å; D247-H257 PolarHBondContact OD1-ND1 3.14Å; D247-H257 IonicContact OD2-CE1 2.64Å; D247-H257 IonicContact OD2-ND1 3.3Å; H257-L259 PolarHBondContact O-N 2.88Å
258V86.9Confident85.1Confident3 Ų336 Ų362%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-77.2117.7179.2-1720000109.7L179 I210 N245 V246 L256L179-V258 HydrophobicContact CD2-CG1 4.49Å; L179-V258 HydrophobicContact CD2-CG2 4.5Å; I210-V258 HydrophobicContact CG2-CG2 4.41Å; N245-V258 WeakPolarHBondContact CA-O 3.3Å; V246-V258 PolarHBondContact N-O 3.19Å; V246-V258 WeakPolarHBondContact O-CA 3.42Å; V246-V258 WeakPolarHBondContact O-CB 3.32Å; V246-V258 PolarHBondContact O-N 3.38Å; L256-V258 HydrophobicContact CD2-CB 4.32Å; L256-V258 HydrophobicContact CD2-CG2 3.2Å; L256-V258 PolarHBondContact O-N 2.92Å
259L88.4Confident85.2Confident52 Ų5236.6 Ų36.627%0.27221%0.212SC..  trans-70.8143.7176.9-60.4179.4000112.2Q182 N245 H257 S261 I262Q182-L259 HydrophobicContact CB-CD1 4.23Å; Q182-L259 WeakPolarHBondContact O-CD1 3.42Å; N245-L259 WeakPolarHBondContact OD1-CA 3.38Å; H257-L259 PolarHBondContact O-N 2.88Å; L259-S261 PolarHBondContact O-N 2.95Å; L259-I262 HydrophobicContact CB-CD1 4.01Å; L259-I262 HydrophobicContact CB-CG1 4.15Å; L259-I262 HydrophobicContact CG-CD1 4.4Å; L259-I262 PolarHBondContact O-N 3.41Å; L259-I262 VanDerWaalsContact O-N 3.14Å
260G86.7Confident85.4Confident0 Ų033 Ų330%019%0.189CC..Hα-helixtrans-58.7-31.5174.500000113.4P243 N245 I262 R263P243-G260 VanDerWaalsContact CD-C 3.49Å; P243-G260 VanDerWaalsContact CD-O 3.25Å; P243-G260 WeakPolarHBondContact CD-O 3.29Å; P243-G260 WeakPolarHBondContact CG-O 3.45Å; N245-G260 PolarHBondContact OD1-N 3.39Å; G260-I262 VanDerWaalsContact C-N 3.32Å; G260-I262 PolarHBondContact O-N 3.27Å; G260-R263 WeakPolarHBondContact O-CG 3.42Å
261S85.6Confident85.9Confident44 Ų4432 Ų3231%0.30818%0.184SC..Hα-helixtrans-66-34.5178-560000112.7L259 S265L259-S261 PolarHBondContact O-N 2.95Å; S261-S265 VanDerWaalsContact O-CB 3.28Å; S261-S265 WeakPolarHBondContact O-CB 3.19Å; S261-S265 PolarHBondContact O-N 3.06Å; S261-S265 VanDerWaalsContact O-N 3.08Å
262I86.9Confident86.4Confident2 Ų228.5 Ų28.51%0.0116%0.164CC..Hα-helixtrans-69.1-49.1-178.1-63.4171000109.7Q178 L179 Q182 L259 G260 D264 S265 V266Q178-I262 HydrophobicContact CB-CG1 4.34Å; Q178-I262 HydrophobicContact CB-CG2 3.7Å; L179-I262 HydrophobicContact CD2-CD1 4.33Å; Q182-I262 HydrophobicContact CB-CD1 3.96Å; Q182-I262 HydrophobicContact CB-CG1 4.46Å; L259-I262 HydrophobicContact CB-CD1 4.01Å; L259-I262 HydrophobicContact CB-CG1 4.15Å; L259-I262 HydrophobicContact CG-CD1 4.4Å; L259-I262 PolarHBondContact O-N 3.41Å; L259-I262 VanDerWaalsContact O-N 3.14Å; G260-I262 VanDerWaalsContact C-N 3.32Å; G260-I262 PolarHBondContact O-N 3.27Å; I262-D264 PolarHBondContact O-N 3.38Å; I262-S265 PolarHBondContact O-N 3.37Å; I262-S265 VanDerWaalsContact O-N 3.16Å; I262-V266 HydrophobicContact CG2-CG2 3.87Å; I262-V266 WeakPolarHBondContact O-CB 3.45Å; I262-V266 WeakPolarHBondContact O-CG2 3.33Å; I262-V266 PolarHBondContact O-N 3.4Å
263R85.8Confident86.8Confident34 Ų3426.9 Ų26.913%0.12813%0.134CC..Hα-helixtrans-60.5-29.9-177.459.9179.8-147.7168.434.7113.4F216 P243 P244 G260F216-R263 HydrophobicContact CE1-CG 4.15Å; F216-R263 VanDerWaalsContact CE1-NE 3.26Å; P243-R263 VanDerWaalsContact CB-NE 3.28Å; P243-R263 HydrophobicContact CG-CG 4.48Å; P244-R263 PolarHBondContact O-NH1 3.23Å; G260-R263 WeakPolarHBondContact O-CG 3.42Å
264D84.9Confident86.4Confident7 Ų724.1 Ų24.14%0.03713%0.125CC..Hα-helixtrans-79-47.2174.6-69.618.7000111.3F216 R222 I226 P243 I262 V266 V267 E268F216-D264 WeakPolarHBondContact CE1-OD1 3.47Å; F216-D264 WeakPolarHBondContact CZ-OD1 3.37Å; R222-D264 IonicContact CZ-OD2 3.56Å; R222-D264 IonicContact NE-OD2 3.1Å; R222-D264 PolarHBondContact NE-OD2 3.3Å; R222-D264 IonicContact NH2-OD2 2.69Å; R222-D264 PolarHBondContact NH2-OD2 3.14Å; I226-D264 HydrophobicContact CD1-CB 4.11Å; P243-D264 VanDerWaalsContact CG-CG 3.45Å; P243-D264 WeakPolarHBondContact CG-OD1 3.15Å; P243-D264 VanDerWaalsContact CG-OD2 3.3Å; P243-D264 WeakPolarHBondContact CG-OD2 3.39Å; I262-D264 PolarHBondContact O-N 3.38Å; D264-V266 PolarHBondContact O-N 2.86Å; D264-V267 PolarHBondContact O-N 3.11Å; D264-E268 PolarHBondContact O-N 2.77Å
265S88Confident86Confident19 Ų1930.1 Ų30.113%0.13316%0.159CC..Hα-helixtrans-64.6-38.7-174.9-172.30000112.5K230 S261 I262 V267 E268K230-S265 WeakPolarHBondContact CE-OG 3.41Å; S261-S265 VanDerWaalsContact O-CB 3.28Å; S261-S265 WeakPolarHBondContact O-CB 3.19Å; S261-S265 PolarHBondContact O-N 3.06Å; S261-S265 VanDerWaalsContact O-N 3.08Å; I262-S265 PolarHBondContact O-N 3.37Å; I262-S265 VanDerWaalsContact O-N 3.16Å; S265-V267 VanDerWaalsContact C-N 3.34Å; S265-V267 PolarHBondContact O-N 2.8Å; S265-E268 WeakPolarHBondContact O-CB 3.41Å; S265-E268 PolarHBondContact O-N 3.4Å
266V91.2Very high85.4Confident1 Ų133 Ų331%0.00617%0.171CC..Hα-helixtrans-61.5-41.3-178.1167.80000111.6L171 E174 L175 Q178 I262 D264 E268 I269L171-V266 HydrophobicContact CD2-CG1 3.95Å; L171-V266 WeakPolarHBondContact CD2-O 3.1Å; E174-V266 HydrophobicContact CG-CB 4.47Å; E174-V266 HydrophobicContact CG-CG2 4.17Å; L175-V266 HydrophobicContact CB-CG1 4.09Å; L175-V266 HydrophobicContact CB-CG2 4.24Å; L175-V266 HydrophobicContact CG-CG1 4.31Å; L175-V266 HydrophobicContact CG-CG2 4.26Å; Q178-V266 HydrophobicContact CB-CG2 4.4Å; Q178-V266 HydrophobicContact CG-CG2 4.18Å; I262-V266 HydrophobicContact CG2-CG2 3.87Å; I262-V266 WeakPolarHBondContact O-CB 3.45Å; I262-V266 WeakPolarHBondContact O-CG2 3.33Å; I262-V266 PolarHBondContact O-N 3.4Å; D264-V266 PolarHBondContact O-N 2.86Å; V266-E268 VanDerWaalsContact C-N 3.34Å; V266-I269 WeakPolarHBondContact O-CD1 3.21Å; V266-I269 VanDerWaalsContact O-CG1 3.29Å; V266-I269 WeakPolarHBondContact O-CG1 3.36Å
267V91.3Very high85.1Confident3 Ų337.6 Ų37.62%0.01819%0.192CC..Hα-helixtrans-79.2-22.5-178.1-1770000111.8C215 V217 D264 S265 I269 L270 L312C215-V267 HydrophobicContact CB-CG2 3.85Å; V217-V267 HydrophobicContact CB-CG1 4.19Å; V217-V267 HydrophobicContact CG1-CG1 4.31Å; V217-V267 HydrophobicContact CG2-CG1 3.65Å; D264-V267 PolarHBondContact O-N 3.11Å; S265-V267 VanDerWaalsContact C-N 3.34Å; S265-V267 PolarHBondContact O-N 2.8Å; V267-I269 PolarHBondContact O-N 3.02Å; V267-L270 PolarHBondContact O-N 2.88Å; V267-L312 HydrophobicContact CG1-CD1 4.19Å; V267-L312 HydrophobicContact CG2-CD1 4.41Å
268E91.4Very high85.1Confident2 Ų239.6 Ų39.61%0.00920%0.2CC..Hα-helixtrans-63.9-27.8-179.2-167.156.9-151.100112.3G223 I226 Q227 D264 S265 V266 L270 F271 E272 R318G223-E268 WeakPolarHBondContact CA-OE1 3.37Å; G223-E268 WeakPolarHBondContact CA-OE2 3.35Å; I226-E268 HydrophobicContact CG2-CG 4.31Å; Q227-E268 HydrophobicContact CG-CG 4.18Å; Q227-E268 PolarHBondContact NE2-OE1 3.31Å; D264-E268 PolarHBondContact O-N 2.77Å; S265-E268 WeakPolarHBondContact O-CB 3.41Å; S265-E268 PolarHBondContact O-N 3.4Å; V266-E268 VanDerWaalsContact C-N 3.34Å; E268-L270 PolarHBondContact O-N 2.83Å; E268-F271 CarbonylContact O-C 3.59Å; E268-F271 PolarHBondContact O-N 3.36Å; E268-E272 WeakPolarHBondContact O-CB 3.39Å; E268-E272 PolarHBondContact O-N 2.96Å; E268-R318 IonicContact OE1-CZ 2.76Å; E268-R318 IonicContact OE1-NH1 3.45Å; E268-R318 IonicContact OE1-NH2 2.67Å; E268-R318 PolarHBondContact OE1-NH2 3.31Å; E268-R318 IonicContact OE2-CZ 2.68Å; E268-R318 IonicContact OE2-NH1 3.4Å; E268-R318 PolarHBondContact OE2-NH1 2.96Å; E268-R318 IonicContact OE2-NH2 3.31Å; E268-R318 PolarHBondContact OE2-NH2 3.46Å
269I89.8Confident85.3Confident24 Ų2439.5 Ų39.512%0.12320%0.199CC..THydrogen-bonded Turntrans-59.2-19.8178.677.8-173.5000113.7A170 L171 E174 V266 V267 F271A170-I269 HydrophobicContact CB-CD1 4.48Å; L171-I269 HydrophobicContact CD2-CD1 3.99Å; L171-I269 HydrophobicContact CD2-CG1 4.16Å; E174-I269 HydrophobicContact CB-CD1 3.63Å; E174-I269 HydrophobicContact CG-CD1 4.01Å; E174-I269 HydrophobicContact CG-CG2 3.9Å; V266-I269 WeakPolarHBondContact O-CD1 3.21Å; V266-I269 VanDerWaalsContact O-CG1 3.29Å; V266-I269 WeakPolarHBondContact O-CG1 3.36Å; V267-I269 PolarHBondContact O-N 3.02Å; I269-F271 VanDerWaalsContact C-N 3.34Å
270L91.6Very high85.6Confident0 Ų037 Ų370%019%0.187CC..THydrogen-bonded Turntrans-74.6-27.2175.7-91.373.6000113L171 V267 E268 V280 T309 F315L171-L270 HydrophobicContact CD1-CD1 3.98Å; L171-L270 HydrophobicContact CD2-CD1 3.36Å; L171-L270 HydrophobicContact CG-CD1 3.63Å; V267-L270 PolarHBondContact O-N 2.88Å; E268-L270 PolarHBondContact O-N 2.83Å; L270-V280 HydrophobicContact CB-CG2 4.28Å; L270-V280 HydrophobicContact CD2-CG2 4.47Å; L270-V280 HydrophobicContact CG-CG2 4.28Å; L270-V280 WeakPolarHBondContact O-CG2 3.43Å; L270-V280 PolarHBondContact O-N 2.88Å; L270-T309 HydrophobicContact CD2-CG2 3.63Å; L270-F315 HydrophobicContact CD2-CE2 3.84Å
271F90.6Very high85.9Confident0 Ų037 Ų370%019%0.187CC..THydrogen-bonded Turntrans-114.6-9.5-173.9-60.5-77.4000112.4V217 E268 I269 Q273 F315 R318 L319 E322V217-F271 HydrophobicContact CG1-CE2 3.9Å; E268-F271 CarbonylContact O-C 3.59Å; E268-F271 PolarHBondContact O-N 3.36Å; I269-F271 VanDerWaalsContact C-N 3.34Å; F271-Q273 PolarHBondContact O-N 3.1Å; F271-F315 HydrophobicContact CE2-CD2 4.25Å; F271-F315 HydrophobicContact CE2-CE2 4.08Å; F271-F315 AromaticContact CZ-CD2 3.94Å; F271-F315 HydrophobicContact CZ-CD2 3.94Å; F271-F315 AromaticContact CZ-CE2 3.63Å; F271-F315 HydrophobicContact CZ-CE2 3.63Å; F271-F315 HydrophobicContact CZ-CZ 4.21Å; F271-R318 HydrophobicContact CD1-CG 4.18Å; F271-R318 HydrophobicContact CD2-CG 3.96Å; F271-R318 HydrophobicContact CE1-CG 4.01Å; F271-R318 HydrophobicContact CE2-CG 3.78Å; F271-R318 HydrophobicContact CG-CG 4.16Å; F271-R318 HydrophobicContact CZ-CB 4.36Å; F271-R318 HydrophobicContact CZ-CG 3.8Å; F271-L319 HydrophobicContact CE1-CB 4.19Å; F271-L319 HydrophobicContact CE1-CD1 3.98Å; F271-L319 HydrophobicContact CZ-CB 4.49Å; F271-E322 HydrophobicContact CD1-CB 4.43Å; F271-E322 HydrophobicContact CD1-CG 4.24Å
272E85.4Confident86.3Confident25 Ų2535 Ų3512%0.11717%0.173CC..  trans-59.6129.3168.3-168.4158.5-169.100109.1K230 F231 E268 D274K230-E272 IonicContact NZ-OE2 3.75Å; K230-E272 PolarHBondContact NZ-OE2 2.98Å; F231-E272 WeakPolarHBondContact CE2-OE1 3.4Å; E268-E272 WeakPolarHBondContact O-CB 3.39Å; E268-E272 PolarHBondContact O-N 2.96Å; E272-D274 PolarHBondContact O-N 2.78Å
273Q76.3Confident86.6Confident46 Ų4635.6 Ų35.622%0.21518%0.175CC..  trans-83.5110.5172.6-77.1165.850.500106.6F271F271-Q273 PolarHBondContact O-N 3.1Å
274D69.8Low87.1Confident88 Ų8834.1 Ų34.147%0.47117%0.17SC..  trans-58.5173.3172-73.7-28.6000110.6E272 E276 E277 K278E272-D274 PolarHBondContact O-N 2.78Å; D274-E276 PolarHBondContact O-N 2.88Å; D274-E277 WeakPolarHBondContact O-CA 3.33Å; D274-E277 PolarHBondContact O-N 3.42Å; D274-K278 PolarHBondContact N-O 2.98Å
275N75.9Confident87.5Confident171 Ų17133.8 Ų33.891%0.91417%0.168SC*.THydrogen-bonded Turntrans-54-19.9170.9-66.7-17.2000113.2
276E74.4Confident87.7Confident133 Ų13334.9 Ų34.962%0.62117%0.173SC*.THydrogen-bonded Turntrans-90.96.4174.8-58.5-169.4174.300114D274 K278D274-E276 PolarHBondContact O-N 2.88Å; E276-K278 HydrophobicContact CB-CD 4.1Å; E276-K278 HydrophobicContact CB-CG 4.21Å; E276-K278 PolarHBondContact O-N 2.82Å; E276-K278 VanDerWaalsContact O-N 3.14Å; E276-K278 WeakPolarHBondContact OE2-CD 3.27Å; E276-K278 WeakPolarHBondContact OE2-CE 3.37Å; E276-K278 IonicContact OE2-NZ 3.37Å; E276-K278 PolarHBondContact OE2-NZ 3.17Å
277E79.7Confident87.9Confident96 Ų9634.9 Ų34.945%0.44917%0.173SC..  trans56.519.4-173.7-58.7-169.7154.100115.1D274 T282D274-E277 WeakPolarHBondContact O-CA 3.33Å; D274-E277 PolarHBondContact O-N 3.42Å; E277-T282 VanDerWaalsContact O-CG2 3.32Å; E277-T282 WeakPolarHBondContact O-CG2 3.5Å; E277-T282 PolarHBondContact O-OG1 3.37Å; E277-T282 VanDerWaalsContact O-OG1 3.05Å
278K86.8Confident88Confident82 Ų8234.8 Ų34.836%0.35717%0.172SC..  trans-88.5134.8-179.1-69.2173.1-174.9166.40110.5L164 D274 E276L164-K278 HydrophobicContact CD1-CB 4.38Å; L164-K278 HydrophobicContact CD2-CB 4.03Å; L164-K278 HydrophobicContact CD2-CD 3.93Å; L164-K278 HydrophobicContact CD2-CG 4.38Å; D274-K278 PolarHBondContact N-O 2.98Å; E276-K278 HydrophobicContact CB-CD 4.1Å; E276-K278 HydrophobicContact CB-CG 4.21Å; E276-K278 PolarHBondContact O-N 2.82Å; E276-K278 VanDerWaalsContact O-N 3.14Å; E276-K278 WeakPolarHBondContact OE2-CD 3.27Å; E276-K278 WeakPolarHBondContact OE2-CE 3.37Å; E276-K278 IonicContact OE2-NZ 3.37Å; E276-K278 PolarHBondContact OE2-NZ 3.17Å
279S91.8Very high88.1Confident0 Ų037.1 Ų37.10%018%0.184CC..  trans-150.7170.217372.20000108.6L164 A281 T282 L283L164-S279 WeakPolarHBondContact CD1-O 3.47Å; S279-A281 PolarHBondContact O-N 2.74Å; S279-A281 PolarHBondContact OG-N 3.17Å; S279-T282 PolarHBondContact N-OG1 3Å; S279-T282 PolarHBondContact O-N 3.48Å; S279-T282 PolarHBondContact OG-N 3.47Å; S279-T282 VanDerWaalsContact OG-N 3.07Å; S279-T282 PolarHBondContact OG-OG1 2.86Å; S279-L283 PolarHBondContact O-N 3.43Å
280V93.1Very high88.2Confident0 Ų040.7 Ų40.70%020%0.2CC..Hα-helixtrans-58.4-36.2175.7176.80000111.7L139 L270 L283 L319L139-V280 HydrophobicContact CD1-CG1 4.12Å; L139-V280 HydrophobicContact CD2-CG1 3.63Å; L270-V280 HydrophobicContact CB-CG2 4.28Å; L270-V280 HydrophobicContact CD2-CG2 4.47Å; L270-V280 HydrophobicContact CG-CG2 4.28Å; L270-V280 WeakPolarHBondContact O-CG2 3.43Å; L270-V280 PolarHBondContact O-N 2.88Å; V280-L283 WeakPolarHBondContact O-CB 3.38Å; V280-L319 HydrophobicContact CG1-CD1 4.26Å
281A93.8Very high88.3Confident0 Ų040.7 Ų40.70%020%0.201CC..Hα-helixtrans-72.5-41.5177.100000112.1S279 L283 I284 L319 E322 I323 L326S279-A281 PolarHBondContact O-N 2.74Å; S279-A281 PolarHBondContact OG-N 3.17Å; A281-L283 PolarHBondContact O-N 2.67Å; A281-I284 PolarHBondContact O-N 3.31Å; A281-L319 HydrophobicContact CB-CD1 4.09Å; A281-E322 HydrophobicContact CB-CB 3.89Å; A281-E322 HydrophobicContact CB-CG 3.61Å; A281-I323 HydrophobicContact CB-CG1 4.12Å; A281-L326 HydrophobicContact CB-CD1 3.71Å
282T93.6Very high88.4Confident3 Ų344.1 Ų44.12%0.01822%0.223CC..Hα-helixtrans-59.9-38.5176-45.90000110.8E277 S279 I284 L285 D286 Y332E277-T282 VanDerWaalsContact O-CG2 3.32Å; E277-T282 WeakPolarHBondContact O-CG2 3.5Å; E277-T282 PolarHBondContact O-OG1 3.37Å; E277-T282 VanDerWaalsContact O-OG1 3.05Å; S279-T282 PolarHBondContact N-OG1 3Å; S279-T282 PolarHBondContact O-N 3.48Å; S279-T282 PolarHBondContact OG-N 3.47Å; S279-T282 VanDerWaalsContact OG-N 3.07Å; S279-T282 PolarHBondContact OG-OG1 2.86Å; T282-I284 VanDerWaalsContact C-N 3.3Å; T282-I284 PolarHBondContact O-N 3.34Å; T282-L285 PolarHBondContact O-N 3.4Å; T282-D286 PolarHBondContact O-N 3.46Å; T282-Y332 WeakPolarHBondContact CG2-OH 2.86Å
283L94.4Very high88.6Confident13 Ų1349.1 Ų49.17%0.06825%0.249CC..Hα-helixtrans-57.3-40.9-178.6-166.262.4000112.9S146 V148 L164 S279 V280 A281 S287S146-L283 WeakPolarHBondContact O-CD2 3.47Å; V148-L283 HydrophobicContact CB-CD2 4.32Å; V148-L283 HydrophobicContact CB-CG 4.17Å; V148-L283 HydrophobicContact CG2-CB 4.21Å; V148-L283 HydrophobicContact CG2-CD2 3.64Å; V148-L283 HydrophobicContact CG2-CG 3.66Å; L164-L283 HydrophobicContact CD1-CB 4.09Å; L164-L283 HydrophobicContact CD1-CD1 4.2Å; L164-L283 HydrophobicContact CD1-CD2 4.12Å; L164-L283 HydrophobicContact CD1-CG 4.38Å; L164-L283 HydrophobicContact CD2-CD1 4.48Å; L164-L283 HydrophobicContact CG-CD1 3.92Å; L164-L283 HydrophobicContact CG-CD2 4Å; L164-L283 HydrophobicContact CG-CG 4.42Å; S279-L283 PolarHBondContact O-N 3.43Å; V280-L283 WeakPolarHBondContact O-CB 3.38Å; A281-L283 PolarHBondContact O-N 2.67Å; L283-S287 WeakPolarHBondContact O-CB 3.4Å; L283-S287 PolarHBondContact O-N 3.42Å
284I94.8Very high89.3Confident3 Ų353.6 Ų53.62%0.01527%0.274CS..Hα-helixtrans-64.3-44.8176.3-67.1163.4000110.6M137 L139 V148 A281 T282 L288 L303 L319 I323M137-I284 HydrophobicContact CG-CG2 4.18Å; L139-I284 HydrophobicContact CB-CD1 4.43Å; L139-I284 HydrophobicContact CB-CG1 4.5Å; L139-I284 HydrophobicContact CD2-CD1 3.84Å; L139-I284 HydrophobicContact CD2-CG1 4.45Å; V148-I284 HydrophobicContact CG2-CG1 4.03Å; A281-I284 PolarHBondContact O-N 3.31Å; T282-I284 VanDerWaalsContact C-N 3.3Å; T282-I284 PolarHBondContact O-N 3.34Å; I284-L288 WeakPolarHBondContact O-CB 3.33Å; I284-L288 PolarHBondContact O-N 3.02Å; I284-L303 HydrophobicContact CD1-CD1 4.14Å; I284-L303 HydrophobicContact CD1-CD2 4.09Å; I284-L303 HydrophobicContact CG1-CD1 4.44Å; I284-L303 HydrophobicContact CG2-CD1 4.02Å; I284-L319 HydrophobicContact CD1-CD1 4.22Å; I284-L319 HydrophobicContact CD1-CD2 4.34Å; I284-I323 HydrophobicContact CD1-CD1 3.77Å
285L93.5Very high90.4Very high0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-69.3-39.9-177.6-64.3175.8000112.1T282 L288 I289 I323 L326 V327 Y332 L336 F341T282-L285 PolarHBondContact O-N 3.4Å; L285-L288 WeakPolarHBondContact O-CB 3.17Å; L285-L288 PolarHBondContact O-N 3.14Å; L285-I289 WeakPolarHBondContact O-CG1 3.36Å; L285-I289 PolarHBondContact O-N 3.43Å; L285-I323 HydrophobicContact CD2-CG2 4.25Å; L285-L326 HydrophobicContact CD1-CB 3.39Å; L285-L326 HydrophobicContact CD1-CD1 4.02Å; L285-L326 HydrophobicContact CD1-CG 4.36Å; L285-V327 HydrophobicContact CD1-CG2 4.31Å; L285-V327 HydrophobicContact CD2-CG2 3.72Å; L285-Y332 HydrophobicContact CB-CD1 3.73Å; L285-Y332 HydrophobicContact CB-CE1 3.48Å; L285-Y332 VanDerWaalsContact CB-CE1 3.48Å; L285-Y332 HydrophobicContact CD1-CD1 4.08Å; L285-Y332 HydrophobicContact CD1-CD2 4.24Å; L285-Y332 HydrophobicContact CD1-CE1 4.23Å; L285-Y332 HydrophobicContact CD1-CE2 4.36Å; L285-Y332 HydrophobicContact CD1-CG 4.13Å; L285-Y332 HydrophobicContact CG-CD1 4.43Å; L285-Y332 HydrophobicContact CG-CE1 4.49Å; L285-L336 HydrophobicContact CD2-CD1 3.7Å; L285-F341 HydrophobicContact CD2-CE1 4.21Å; L285-F341 HydrophobicContact CD2-CZ 3.94Å
286D93.3Very high91.1Very high42 Ų4244.1 Ų44.123%0.22522%0.221CC..Hα-helixtrans-66.2-42177.5-70-14.1000111T282 L288 I289 Q290 Y332T282-D286 PolarHBondContact O-N 3.46Å; D286-L288 VanDerWaalsContact C-N 3.31Å; D286-L288 PolarHBondContact O-N 2.93Å; D286-I289 PolarHBondContact O-N 3.2Å; D286-Q290 WeakPolarHBondContact O-CG 3.47Å; D286-Q290 PolarHBondContact O-N 3.33Å; D286-Q290 VanDerWaalsContact O-N 3.11Å; D286-Y332 WeakPolarHBondContact OD1-CE1 3.18Å; D286-Y332 PolarHBondContact OD1-OH 2.87Å
287S94.5Very high91.9Very high1 Ų143.5 Ų43.51%0.00722%0.216CC..Hα-helixtrans-59.9-41.4171.9176.40000111.8M137 P150 C160 L283 I289 Q290 C291M137-S287 WeakPolarHBondContact CE-OG 3.46Å; P150-S287 WeakPolarHBondContact CD-OG 3.48Å; C160-S287 WeakPolarHBondContact O-CB 3.36Å; C160-S287 PolarHBondContact O-OG 3.38Å; L283-S287 WeakPolarHBondContact O-CB 3.4Å; L283-S287 PolarHBondContact O-N 3.42Å; S287-I289 PolarHBondContact O-N 3.17Å; S287-Q290 PolarHBondContact O-N 2.99Å; S287-C291 PolarHBondContact O-N 2.89Å; S287-C291 PolarHBondContact O-SG 3.21Å
288L93.9Very high92.5Very high1 Ų142.4 Ų42.41%0.00521%0.211CC..Hα-helixtrans-67.3-35.6178-166.367.7000112.8M137 I284 L285 D286 C291 R296 L299 A300 L336 F341M137-L288 HydrophobicContact CE-CB 4.15Å; M137-L288 HydrophobicContact CE-CD1 3.97Å; I284-L288 WeakPolarHBondContact O-CB 3.33Å; I284-L288 PolarHBondContact O-N 3.02Å; L285-L288 WeakPolarHBondContact O-CB 3.17Å; L285-L288 PolarHBondContact O-N 3.14Å; D286-L288 VanDerWaalsContact C-N 3.31Å; D286-L288 PolarHBondContact O-N 2.93Å; L288-C291 WeakPolarHBondContact O-CB 3.29Å; L288-C291 PolarHBondContact O-N 2.97Å; L288-R296 HydrophobicContact CD1-CB 4.16Å; L288-R296 HydrophobicContact CD1-CG 4.29Å; L288-R296 HydrophobicContact CG-CB 4.37Å; L288-R296 HydrophobicContact CG-CG 4.31Å; L288-R296 WeakPolarHBondContact O-CD 3.24Å; L288-R296 WeakPolarHBondContact O-CG 3.36Å; L288-R296 PolarHBondContact O-NE 3.42Å; L288-L299 HydrophobicContact CD1-CB 3.74Å; L288-L299 HydrophobicContact CD1-CD1 4.47Å; L288-A300 HydrophobicContact CD2-CB 4.01Å; L288-L336 HydrophobicContact CD2-CD1 4.47Å; L288-L336 HydrophobicContact CD2-CD2 3.81Å; L288-L336 HydrophobicContact CG-CD2 4.11Å; L288-F341 HydrophobicContact CD2-CE1 4.11Å; L288-F341 HydrophobicContact CD2-CZ 4.34Å
289I92.6Very high92.9Very high51 Ų5138.5 Ų38.526%0.26219%0.194SC..Hα-helixtrans-66.5-39.3174.5-71.8173.6000111L285 D286 S287 C291 R296 Y332 A335 L336L285-I289 WeakPolarHBondContact O-CG1 3.36Å; L285-I289 PolarHBondContact O-N 3.43Å; D286-I289 PolarHBondContact O-N 3.2Å; S287-I289 PolarHBondContact O-N 3.17Å; I289-C291 PolarHBondContact O-N 3.3Å; I289-R296 PolarHBondContact O-NH2 2.63Å; I289-Y332 HydrophobicContact CD1-CD1 3.53Å; I289-Y332 HydrophobicContact CD1-CE1 3.58Å; I289-A335 HydrophobicContact CD1-CB 4.01Å; I289-A335 HydrophobicContact CG1-CB 4.06Å; I289-L336 HydrophobicContact CG1-CD2 4.14Å; I289-L336 HydrophobicContact CG1-CG 4.42Å
290Q93.4Very high92.9Very high99 Ų9938.6 Ų38.646%0.46320%0.195SC..Hα-helixtrans-65.6-25.9177.6-68.5172.84100112.2N159 C160 D286 S287N159-Q290 PolarHBondContact O-OE1 3.25Å; C160-Q290 HydrophobicContact CB-CB 3.96Å; C160-Q290 PolarHBondContact SG-O 3.45Å; D286-Q290 WeakPolarHBondContact O-CG 3.47Å; D286-Q290 PolarHBondContact O-N 3.33Å; D286-Q290 VanDerWaalsContact O-N 3.11Å; S287-Q290 PolarHBondContact O-N 2.99Å
291C93Very high92.9Very high1 Ų140.8 Ų40.81%0.00721%0.205CC..SBendtrans-66.2146.9176.8-67.80000112.2S287 L288 I289 R296 L299S287-C291 PolarHBondContact O-N 2.89Å; S287-C291 PolarHBondContact O-SG 3.21Å; L288-C291 WeakPolarHBondContact O-CB 3.29Å; L288-C291 PolarHBondContact O-N 2.97Å; I289-C291 PolarHBondContact O-N 3.3Å; C291-R296 HydrophobicContact CB-CG 4.24Å; C291-R296 PolarHBondContact O-NE 2.92Å; C291-R296 PolarHBondContact O-NH2 3.5Å; C291-L299 HydrophobicContact CB-CD1 4.1Å
292P92.4Very high92.9Very high71 Ų7142.4 Ų42.446%0.46121%0.214SC..  trans-55.1147.8170.2-23.833.1000112.5D294 T295 R296P292-D294 VanDerWaalsContact C-N 3.25Å; P292-D294 PolarHBondContact O-N 2.98Å; P292-D294 VanDerWaalsContact O-N 3.17Å; P292-T295 PolarHBondContact O-N 3.33Å; P292-T295 VanDerWaalsContact O-N 3.14Å; P292-T295 PolarHBondContact O-OG1 3.29Å; P292-T295 VanDerWaalsContact O-OG1 3.04Å; P292-R296 WeakPolarHBondContact O-CG 3.47Å; P292-R296 PolarHBondContact O-N 3.06Å
293I90.2Very high93Very high130 Ų13042.3 Ų42.367%0.66721%0.213SC*.Hα-helixtrans-56-39.8-171.6-62.3170000112.2T295 R296I293-T295 VanDerWaalsContact C-N 3.35Å; I293-T295 PolarHBondContact O-N 3.24Å; I293-R296 PolarHBondContact O-N 2.61Å
294D91.5Very high93.1Very high141 Ų14141.7 Ų41.775%0.75421%0.21SC*.Hα-helixtrans-68.3-31.6-176-58.3-40.9000113.2P292P292-D294 VanDerWaalsContact C-N 3.25Å; P292-D294 PolarHBondContact O-N 2.98Å; P292-D294 VanDerWaalsContact O-N 3.17Å
295T91.9Very high93.2Very high15 Ų1541.9 Ų41.99%0.09221%0.211CC..Hα-helixtrans-82.2-23.1-177.868.10000112.3Y152 P292 I293 K297 Q298 L299Y152-T295 HydrophobicContact CD1-CG2 4.02Å; Y152-T295 HydrophobicContact CD2-CG2 3.65Å; Y152-T295 HydrophobicContact CE1-CG2 4.08Å; Y152-T295 HydrophobicContact CE2-CG2 3.71Å; Y152-T295 HydrophobicContact CG-CG2 3.8Å; P292-T295 PolarHBondContact O-N 3.33Å; P292-T295 VanDerWaalsContact O-N 3.14Å; P292-T295 PolarHBondContact O-OG1 3.29Å; P292-T295 VanDerWaalsContact O-OG1 3.04Å; I293-T295 VanDerWaalsContact C-N 3.35Å; I293-T295 PolarHBondContact O-N 3.24Å; T295-K297 VanDerWaalsContact C-N 3.3Å; T295-K297 PolarHBondContact O-N 2.92Å; T295-Q298 PolarHBondContact O-N 3.34Å; T295-L299 VanDerWaalsContact O-CG 3.31Å; T295-L299 WeakPolarHBondContact O-CG 3.29Å; T295-L299 PolarHBondContact O-N 3.24Å; T295-L299 VanDerWaalsContact O-N 3.08Å
296R91.8Very high93.2Very high44 Ų4441.9 Ų41.917%0.16621%0.211CC..Hα-helixtrans-57.3-37.7-173.4-67.3-178-168.7167.24.9113.8L288 I289 C291 P292 I293 A300 A335L288-R296 HydrophobicContact CD1-CB 4.16Å; L288-R296 HydrophobicContact CD1-CG 4.29Å; L288-R296 HydrophobicContact CG-CB 4.37Å; L288-R296 HydrophobicContact CG-CG 4.31Å; L288-R296 WeakPolarHBondContact O-CD 3.24Å; L288-R296 WeakPolarHBondContact O-CG 3.36Å; L288-R296 PolarHBondContact O-NE 3.42Å; I289-R296 PolarHBondContact O-NH2 2.63Å; C291-R296 HydrophobicContact CB-CG 4.24Å; C291-R296 PolarHBondContact O-NE 2.92Å; C291-R296 PolarHBondContact O-NH2 3.5Å; P292-R296 WeakPolarHBondContact O-CG 3.47Å; P292-R296 PolarHBondContact O-N 3.06Å; I293-R296 PolarHBondContact O-N 2.61Å; R296-A300 WeakPolarHBondContact O-CB 3.35Å; R296-A300 PolarHBondContact O-N 3.43Å; R296-A335 PolarHBondContact NH1-O 3.46Å; R296-A335 VanDerWaalsContact NH1-O 3.11Å
297K91.1Very high93.2Very high120 Ų12040.2 Ų40.252%0.52220%0.204SC..Hα-helixtrans-64.9-50.3-178.2-176.4-177.7174.2-1740111.6T295 A300 E301 T338T295-K297 VanDerWaalsContact C-N 3.3Å; T295-K297 PolarHBondContact O-N 2.92Å; K297-A300 PolarHBondContact O-N 2.61Å; K297-E301 WeakPolarHBondContact CE-OE1 3.37Å; K297-E301 WeakPolarHBondContact O-CG 3.24Å; K297-E301 PolarHBondContact O-N 3.31Å; K297-T338 HydrophobicContact CB-CG2 4.04Å; K297-T338 HydrophobicContact CG-CG2 4.11Å
298Q92.3Very high93Very high73 Ų7341.7 Ų41.734%0.34122%0.219SC..Hα-helixtrans-65.2-41.9179.9-66.4-171.31.100111.5S135 Y152 T295 A300 E301 N302S135-Q298 PolarHBondContact OG-OE1 2.97Å; Y152-Q298 VanDerWaalsContact CE2-OE1 3.23Å; T295-Q298 PolarHBondContact O-N 3.34Å; Q298-A300 VanDerWaalsContact C-N 3.34Å; Q298-A300 PolarHBondContact O-N 2.68Å; Q298-E301 PolarHBondContact O-N 2.88Å; Q298-N302 WeakPolarHBondContact O-CB 3.37Å; Q298-N302 PolarHBondContact O-N 2.9Å
299L93.5Very high92.9Very high0 Ų042.1 Ų42.10%022%0.222CC..Hα-helixtrans-65.1-35.9178.2-66.4174.6000112.6A136 M137 P150 I151 L288 C291 T295 N302A136-L299 VanDerWaalsContact C-CD2 3.43Å; A136-L299 WeakPolarHBondContact O-CD2 3.24Å; M137-L299 HydrophobicContact CB-CB 4.42Å; M137-L299 WeakPolarHBondContact CB-O 3.44Å; P150-L299 HydrophobicContact CB-CD1 3.82Å; P150-L299 HydrophobicContact CB-CD2 4.1Å; I151-L299 VanDerWaalsContact O-CD2 3.27Å; I151-L299 WeakPolarHBondContact O-CD2 3.3Å; L288-L299 HydrophobicContact CD1-CB 3.74Å; L288-L299 HydrophobicContact CD1-CD1 4.47Å; C291-L299 HydrophobicContact CB-CD1 4.1Å; T295-L299 VanDerWaalsContact O-CG 3.31Å; T295-L299 WeakPolarHBondContact O-CG 3.29Å; T295-L299 PolarHBondContact O-N 3.24Å; T295-L299 VanDerWaalsContact O-N 3.08Å; L299-N302 CarbonylContact O-C 3.59Å
300A92.8Very high92.9Very high3 Ų340.2 Ų40.23%0.02521%0.213CC..Hα-helixtrans-72.3-38.8176.300000112.6L288 R296 K297 Q298 N302 T340 F341L288-A300 HydrophobicContact CD2-CB 4.01Å; R296-A300 WeakPolarHBondContact O-CB 3.35Å; R296-A300 PolarHBondContact O-N 3.43Å; K297-A300 PolarHBondContact O-N 2.61Å; Q298-A300 VanDerWaalsContact C-N 3.34Å; Q298-A300 PolarHBondContact O-N 2.68Å; A300-N302 VanDerWaalsContact C-N 3.32Å; A300-T340 CarbonylContact C-O 3.57Å; A300-F341 HydrophobicContact CB-CD1 4.2Å; A300-F341 HydrophobicContact CB-CE1 3.96Å; A300-F341 HydrophobicContact CB-CZ 4.47Å; A300-F341 WeakPolarHBondContact O-CA 3.29Å
301E92.8Very high92.9Very high46 Ų4639.7 Ų39.722%0.21521%0.212CC..Hα-helixtrans-67.5-35176.4-74.9177-171.600111.6K297 Q298 R342K297-E301 WeakPolarHBondContact CE-OE1 3.37Å; K297-E301 WeakPolarHBondContact O-CG 3.24Å; K297-E301 PolarHBondContact O-N 3.31Å; Q298-E301 PolarHBondContact O-N 2.88Å; E301-R342 VanDerWaalsContact O-CB 3.26Å; E301-R342 WeakPolarHBondContact O-CB 3.45Å; E301-R342 VanDerWaalsContact O-O 3.06Å
302N94.8Very high92.9Very high33 Ų3340.6 Ų40.618%0.17622%0.216CC..SBendtrans-108.678.4-178-61.2-26.7000111.2I133 S135 A136 M137 Q298 L299 A300 H344I133-N302 HydrophobicContact CD1-CB 4.1Å; S135-N302 WeakPolarHBondContact O-CB 3.34Å; S135-N302 PolarHBondContact O-ND2 2.94Å; A136-N302 CarbonylContact C-O 3.59Å; A136-N302 VanDerWaalsContact CA-O 3.28Å; A136-N302 WeakPolarHBondContact CA-O 3.47Å; A136-N302 HydrophobicContact CB-CB 3.97Å; A136-N302 WeakPolarHBondContact CB-O 3.3Å; M137-N302 PolarHBondContact N-O 3.46Å; Q298-N302 WeakPolarHBondContact O-CB 3.37Å; Q298-N302 PolarHBondContact O-N 2.9Å; L299-N302 CarbonylContact O-C 3.59Å; A300-N302 VanDerWaalsContact C-N 3.32Å; N302-H344 PolarHBondContact OD1-NE2 3.19Å
303L95.6Very high92.9Very high2 Ų240.7 Ų40.71%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-93.2128.6172-173.763.8000110.6M137 I284 V305 I323 R342 I343 H344M137-L303 HydrophobicContact CB-CD1 3.79Å; M137-L303 HydrophobicContact CG-CD1 3.64Å; I284-L303 HydrophobicContact CD1-CD1 4.14Å; I284-L303 HydrophobicContact CD1-CD2 4.09Å; I284-L303 HydrophobicContact CG1-CD1 4.44Å; I284-L303 HydrophobicContact CG2-CD1 4.02Å; L303-V305 HydrophobicContact CG-CG2 4.48Å; L303-I323 HydrophobicContact CD2-CD1 3.77Å; L303-R342 WeakPolarHBondContact CB-O 3.48Å; L303-R342 PolarHBondContact N-O 3.16Å; L303-I343 HydrophobicContact CB-CG1 4.38Å; L303-I343 HydrophobicContact CD2-CD1 4.4Å; L303-I343 HydrophobicContact CD2-CG1 4.05Å; L303-I343 HydrophobicContact CG-CG1 4.45Å; L303-I343 CarbonylContact O-C 3.59Å; L303-I343 VanDerWaalsContact O-CA 3.31Å; L303-I343 WeakPolarHBondContact O-CA 3.45Å; L303-H344 PolarHBondContact O-N 3.08Å
304V96Very high93Very high0 Ų036.7 Ų36.70%021%0.208CC..EExtended strand (participates in β ladder)trans-120.3129.1178.9-174.60000108.5L131 A136 M137 V138 L139 I306L131-V304 HydrophobicContact CD1-CB 4.37Å; L131-V304 HydrophobicContact CD1-CG1 4.02Å; L131-V304 HydrophobicContact CD1-CG2 3.4Å; A136-V304 HydrophobicContact CB-CG2 3.87Å; M137-V304 PolarHBondContact O-N 3.42Å; V138-V304 WeakPolarHBondContact CA-O 3.44Å; V138-V304 HydrophobicContact CG2-CB 4.29Å; L139-V304 PolarHBondContact N-O 3.36Å; V304-I306 HydrophobicContact CG1-CG2 4.06Å
305V95.9Very high93.2Very high6 Ų630 Ų304%0.03617%0.172CC..EExtended strand (participates in β ladder)trans-117.8121.4-179.4-176.10000108.7L139 L303 F315 L316 L319 I343L139-V305 HydrophobicContact CD2-CG1 4.26Å; L303-V305 HydrophobicContact CG-CG2 4.48Å; V305-F315 HydrophobicContact CG1-CD1 4.47Å; V305-F315 HydrophobicContact CG1-CE1 3.99Å; V305-L316 HydrophobicContact CB-CD2 3.98Å; V305-L316 HydrophobicContact CG1-CD2 4.1Å; V305-L316 HydrophobicContact CG2-CD2 4.19Å; V305-L319 HydrophobicContact CG2-CD2 3.83Å; V305-I343 HydrophobicContact CG2-CG2 4.3Å
306I94.9Very high93.3Very high1 Ų132.6 Ų32.61%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-125.8179.6179.269.6178.5000110.8A127 V138 L139 D140 C141 V304 S310 V353A127-I306 HydrophobicContact CB-CD1 3.54Å; A127-I306 HydrophobicContact CB-CG2 3.94Å; V138-I306 HydrophobicContact CG1-CD1 3.91Å; V138-I306 HydrophobicContact CG1-CG1 4.24Å; L139-I306 PolarHBondContact O-N 3.37Å; D140-I306 HydrophobicContact CB-CD1 3.92Å; D140-I306 HydrophobicContact CB-CG1 3.68Å; C141-I306 PolarHBondContact N-O 3.22Å; C141-I306 VanDerWaalsContact N-O 3.11Å; V304-I306 HydrophobicContact CG1-CG2 4.06Å; I306-S310 VanDerWaalsContact C-OG 3.28Å; I306-S310 PolarHBondContact O-OG 2.85Å; I306-V353 HydrophobicContact CB-CB 4.46Å; I306-V353 HydrophobicContact CG2-CB 3.82Å; I306-V353 HydrophobicContact CG2-CG1 3.83Å; I306-V353 HydrophobicContact CG2-CG2 4.17Å
307G91.5Very high93.4Very high6 Ų636.3 Ų36.36%0.06220%0.204CC..EExtended strand (participates in β ladder)trans102.2174.9175.600000114.1D140 C141 S310 A350 N351D140-G307 WeakPolarHBondContact OD1-CA 3.1Å; C141-G307 CarbonylContact O-C 3.57Å; C141-G307 WeakPolarHBondContact O-CA 3.49Å; G307-S310 PolarHBondContact O-OG 2.98Å; G307-A350 PolarHBondContact N-O 3.23Å; G307-A350 CarbonylContact O-C 3.56Å; G307-N351 WeakPolarHBondContact O-CA 3.38Å; G307-N351 PolarHBondContact O-N 3.35Å
308G90.4Very high93.6Very high33 Ų3330.7 Ų30.734%0.3418%0.179SC..SBendtrans-76-37.8-177.800000112.8C141 S310 M311C141-G308 PolarHBondContact O-N 3.23Å; C141-G308 VanDerWaalsContact O-N 3.12Å; G308-S310 VanDerWaalsContact C-N 3.33Å; G308-S310 PolarHBondContact O-N 2.9Å; G308-M311 WeakPolarHBondContact O-CB 3.46Å; G308-M311 WeakPolarHBondContact O-CG 3.46Å; G308-M311 PolarHBondContact O-N 2.88Å
309T93Very high93.7Very high10 Ų1027.2 Ų27.26%0.06116%0.163CC..G310 helixtrans-73.8-26.9-173.4-47.60000112.4C141 G142 L171 L270 M311 L312C141-T309 PolarHBondContact O-N 3.24Å; C141-T309 VanDerWaalsContact O-N 3.14Å; C141-T309 PolarHBondContact O-OG1 2.9Å; G142-T309 PolarHBondContact O-OG1 2.83Å; L171-T309 HydrophobicContact CD1-CG2 3.64Å; L270-T309 HydrophobicContact CD2-CG2 3.63Å; T309-M311 PolarHBondContact O-N 3.36Å; T309-L312 HydrophobicContact CG2-CD1 4.07Å; T309-L312 WeakPolarHBondContact O-CG 3.39Å; T309-L312 PolarHBondContact O-N 3.02Å
310S92.9Very high93.8Very high10 Ų1028.7 Ų28.77%0.0717%0.171CC..G310 helixtrans-70.4-7.4175.555.10000114I306 G307 G308 L312I306-S310 VanDerWaalsContact C-OG 3.28Å; I306-S310 PolarHBondContact O-OG 2.85Å; G307-S310 PolarHBondContact O-OG 2.98Å; G308-S310 VanDerWaalsContact C-N 3.33Å; G308-S310 PolarHBondContact O-N 2.9Å; S310-L312 VanDerWaalsContact C-N 3.26Å; S310-L312 PolarHBondContact O-N 3.25Å
311M93.4Very high93.8Very high89 Ų8929.6 Ų29.644%0.43818%0.178SC..G310 helixtrans-76.6-9.9172.8-61.8-17313100113.7G308 T309 K349 A350 N351G308-M311 WeakPolarHBondContact O-CB 3.46Å; G308-M311 WeakPolarHBondContact O-CG 3.46Å; G308-M311 PolarHBondContact O-N 2.88Å; T309-M311 PolarHBondContact O-N 3.36Å; M311-K349 HydrophobicContact CE-CB 3.5Å; M311-K349 HydrophobicContact CE-CG 4.37Å; M311-A350 HydrophobicContact CG-CB 4.25Å; M311-N351 HydrophobicContact CE-CB 3.45Å; M311-N351 VanDerWaalsContact CE-CB 3.45Å; M311-N351 HydrophobicContact CG-CB 4.27Å; M311-N351 HydrophobicContact SD-CB 3.45Å; M311-N351 WeakPolarHBondContact SD-CB 3.45Å
312L93Very high93.9Very high19 Ų1927.4 Ų27.410%0.09917%0.168CC..SBendtrans-59.6138.5177.6-70.2172.1000110.7L171 V217 V267 T309 S310 G314 F315L171-L312 HydrophobicContact CD1-CD1 4.2Å; V217-L312 HydrophobicContact CG2-CB 3.73Å; V217-L312 HydrophobicContact CG2-CD1 4.39Å; V267-L312 HydrophobicContact CG1-CD1 4.19Å; V267-L312 HydrophobicContact CG2-CD1 4.41Å; T309-L312 HydrophobicContact CG2-CD1 4.07Å; T309-L312 WeakPolarHBondContact O-CG 3.39Å; T309-L312 PolarHBondContact O-N 3.02Å; S310-L312 VanDerWaalsContact C-N 3.26Å; S310-L312 PolarHBondContact O-N 3.25Å; L312-G314 PolarHBondContact O-N 3.04Å; L312-F315 HydrophobicContact CB-CB 4.44Å; L312-F315 VanDerWaalsContact O-CB 3.27Å; L312-F315 WeakPolarHBondContact O-CB 3.26Å; L312-F315 PolarHBondContact O-N 2.88Å
313P92.6Very high93.8Very high74 Ų7425.8 Ų25.848%0.48116%0.16SC..THydrogen-bonded Turntrans-65.2130.1-177.826.7-32.9000110.3F216 V217F216-P313 HydrophobicContact CB-CG 3.85Å; V217-P313 WeakPolarHBondContact CB-O 3.45Å; V217-P313 PolarHBondContact N-O 3.03Å
314G91.7Very high93.7Very high45 Ų4532.2 Ų32.246%0.46418%0.184SC..THydrogen-bonded Turntrans86.7-2.9-178.700000115.5L312 L316 H317 R318L312-G314 PolarHBondContact O-N 3.04Å; G314-L316 PolarHBondContact O-N 2.88Å; G314-H317 PolarHBondContact O-N 3.35Å; G314-R318 PolarHBondContact O-N 2.96Å; G314-R318 VanDerWaalsContact O-N 3.14Å
315F94.7Very high93.5Very high1 Ų136.5 Ų36.50%0.00420%0.201CC..Hα-helixtrans-57.1-49.3-174.5-172.8-95.6000113.8V217 L270 F271 V305 L312 H317 R318 L319V217-F315 HydrophobicContact CG2-CB 3.97Å; V217-F315 HydrophobicContact CG2-CD2 4.11Å; L270-F315 HydrophobicContact CD2-CE2 3.84Å; F271-F315 HydrophobicContact CE2-CD2 4.25Å; F271-F315 HydrophobicContact CE2-CE2 4.08Å; F271-F315 AromaticContact CZ-CD2 3.94Å; F271-F315 HydrophobicContact CZ-CD2 3.94Å; F271-F315 AromaticContact CZ-CE2 3.63Å; F271-F315 HydrophobicContact CZ-CE2 3.63Å; F271-F315 HydrophobicContact CZ-CZ 4.21Å; V305-F315 HydrophobicContact CG1-CD1 4.47Å; V305-F315 HydrophobicContact CG1-CE1 3.99Å; L312-F315 HydrophobicContact CB-CB 4.44Å; L312-F315 VanDerWaalsContact O-CB 3.27Å; L312-F315 WeakPolarHBondContact O-CB 3.26Å; L312-F315 PolarHBondContact O-N 2.88Å; F315-H317 PolarHBondContact O-N 3.12Å; F315-R318 PolarHBondContact O-N 3.24Å; F315-L319 HydrophobicContact CE1-CD2 4.03Å; F315-L319 WeakPolarHBondContact O-CB 3.09Å; F315-L319 PolarHBondContact O-N 3.11Å
316L94.3Very high93.3Very high70 Ų7036.3 Ų36.337%0.36620%0.199SC..Hα-helixtrans-64.5-39-176.5-60.9178.7000112.6V305 G314 L320 I343V305-L316 HydrophobicContact CB-CD2 3.98Å; V305-L316 HydrophobicContact CG1-CD2 4.1Å; V305-L316 HydrophobicContact CG2-CD2 4.19Å; G314-L316 PolarHBondContact O-N 2.88Å; L316-L320 WeakPolarHBondContact O-CB 3.38Å; L316-L320 PolarHBondContact O-N 2.76Å; L316-I343 HydrophobicContact CD2-CG2 4.43Å
317H94.1Very high93.1Very high122 Ų12237 Ų3757%0.56520%0.204SC*.Hα-helixtrans-66.4-46.9178.7-178.9-105.5000110.9D219 G314 F315 L320 A321D219-H317 IonicContact OD1-CE1 3.6Å; D219-H317 IonicContact OD1-ND1 3.51Å; D219-H317 PolarHBondContact OD1-ND1 2.87Å; G314-H317 PolarHBondContact O-N 3.35Å; F315-H317 PolarHBondContact O-N 3.12Å; H317-L320 PolarHBondContact O-N 3.4Å; H317-A321 WeakPolarHBondContact O-CB 3.34Å; H317-A321 PolarHBondContact O-N 3.35Å
318R94.9Very high93.1Very high1 Ų143.7 Ų43.70%0.00423%0.233CC..Hα-helixtrans-60.7-48.6176.1175.756.2-178.7-780111.5V217 S218 E268 F271 G314 F315 L320 A321 E322V217-R318 HydrophobicContact CG1-CB 3.45Å; V217-R318 VanDerWaalsContact CG1-CB 3.45Å; V217-R318 HydrophobicContact CG1-CG 3.65Å; S218-R318 VanDerWaalsContact O-CD 3.26Å; S218-R318 WeakPolarHBondContact O-CD 3.4Å; S218-R318 WeakPolarHBondContact O-CG 3.45Å; S218-R318 PolarHBondContact O-NH1 3.01Å; E268-R318 IonicContact OE1-CZ 2.76Å; E268-R318 IonicContact OE1-NH1 3.45Å; E268-R318 IonicContact OE1-NH2 2.67Å; E268-R318 PolarHBondContact OE1-NH2 3.31Å; E268-R318 IonicContact OE2-CZ 2.68Å; E268-R318 IonicContact OE2-NH1 3.4Å; E268-R318 PolarHBondContact OE2-NH1 2.96Å; E268-R318 IonicContact OE2-NH2 3.31Å; E268-R318 PolarHBondContact OE2-NH2 3.46Å; F271-R318 HydrophobicContact CD1-CG 4.18Å; F271-R318 HydrophobicContact CD2-CG 3.96Å; F271-R318 HydrophobicContact CE1-CG 4.01Å; F271-R318 HydrophobicContact CE2-CG 3.78Å; F271-R318 HydrophobicContact CG-CG 4.16Å; F271-R318 HydrophobicContact CZ-CB 4.36Å; F271-R318 HydrophobicContact CZ-CG 3.8Å; G314-R318 PolarHBondContact O-N 2.96Å; G314-R318 VanDerWaalsContact O-N 3.14Å; F315-R318 PolarHBondContact O-N 3.24Å; R318-L320 VanDerWaalsContact C-N 3.34Å; R318-L320 PolarHBondContact O-N 3.23Å; R318-A321 PolarHBondContact O-N 2.95Å; R318-E322 IonicContact CZ-OE2 2.76Å; R318-E322 IonicContact NE-OE2 3.38Å; R318-E322 PolarHBondContact NE-OE2 2.9Å; R318-E322 IonicContact NH2-OE2 2.83Å; R318-E322 PolarHBondContact NH2-OE2 3.15Å; R318-E322 VanDerWaalsContact NH2-OE2 3.15Å; R318-E322 WeakPolarHBondContact O-CB 3.47Å; R318-E322 PolarHBondContact O-N 3.01Å
319L95.3Very high93Very high0 Ų044.7 Ų44.70%023%0.228CC..Hα-helixtrans-57.9-46.4179.5-179.166.5000111.7L139 F271 V280 A281 I284 V305 F315 E322 I323L139-L319 HydrophobicContact CD2-CD2 3.92Å; F271-L319 HydrophobicContact CE1-CB 4.19Å; F271-L319 HydrophobicContact CE1-CD1 3.98Å; F271-L319 HydrophobicContact CZ-CB 4.49Å; V280-L319 HydrophobicContact CG1-CD1 4.26Å; A281-L319 HydrophobicContact CB-CD1 4.09Å; I284-L319 HydrophobicContact CD1-CD1 4.22Å; I284-L319 HydrophobicContact CD1-CD2 4.34Å; V305-L319 HydrophobicContact CG2-CD2 3.83Å; F315-L319 HydrophobicContact CE1-CD2 4.03Å; F315-L319 WeakPolarHBondContact O-CB 3.09Å; F315-L319 PolarHBondContact O-N 3.11Å; L319-E322 PolarHBondContact O-N 2.92Å; L319-I323 HydrophobicContact CD1-CD1 4.22Å; L319-I323 HydrophobicContact CD1-CG1 4.49Å; L319-I323 HydrophobicContact CG-CD1 4Å; L319-I323 VanDerWaalsContact O-CG1 3.27Å; L319-I323 WeakPolarHBondContact O-CG1 3.4Å; L319-I323 PolarHBondContact O-N 2.87Å
320L94.7Very high92.7Very high31 Ų3148.8 Ų48.816%0.16226%0.255CS..Hα-helixtrans-66.3-38.8179.6-174.360.3000112.4L316 H317 R318 R324 F341 I343L316-L320 WeakPolarHBondContact O-CB 3.38Å; L316-L320 PolarHBondContact O-N 2.76Å; H317-L320 PolarHBondContact O-N 3.4Å; R318-L320 VanDerWaalsContact C-N 3.34Å; R318-L320 PolarHBondContact O-N 3.23Å; L320-R324 VanDerWaalsContact O-CG 3.3Å; L320-R324 WeakPolarHBondContact O-CG 2.86Å; L320-R324 PolarHBondContact O-N 2.93Å; L320-R324 VanDerWaalsContact O-N 3.12Å; L320-F341 HydrophobicContact CD1-CB 4.02Å; L320-I343 HydrophobicContact CB-CD1 4.02Å; L320-I343 HydrophobicContact CD1-CD1 4.29Å; L320-I343 HydrophobicContact CD1-CG1 4.42Å
321A94.1Very high92.4Very high22 Ų2253.3 Ų53.318%0.18227%0.273CS..Hα-helixtrans-65.1-42.5175.100000111.6L220 H317 R318 R324 Y325L220-A321 HydrophobicContact CB-CB 4.14Å; L220-A321 HydrophobicContact CD2-CB 4.28Å; H317-A321 WeakPolarHBondContact O-CB 3.34Å; H317-A321 PolarHBondContact O-N 3.35Å; R318-A321 PolarHBondContact O-N 2.95Å; A321-R324 PolarHBondContact O-N 3.05Å; A321-Y325 WeakPolarHBondContact O-CB 3.25Å; A321-Y325 PolarHBondContact O-N 2.85Å
322E93.5Very high92.2Very high0 Ų049.3 Ų49.30%025%0.253CS..Hα-helixtrans-63.9-45.3177.6-159.473.3-127.400111.3L220 F271 A281 R318 L319 R324 Y325 L326L220-E322 WeakPolarHBondContact CD1-OE2 3.02Å; F271-E322 HydrophobicContact CD1-CB 4.43Å; F271-E322 HydrophobicContact CD1-CG 4.24Å; A281-E322 HydrophobicContact CB-CB 3.89Å; A281-E322 HydrophobicContact CB-CG 3.61Å; R318-E322 IonicContact CZ-OE2 2.76Å; R318-E322 IonicContact NE-OE2 3.38Å; R318-E322 PolarHBondContact NE-OE2 2.9Å; R318-E322 IonicContact NH2-OE2 2.83Å; R318-E322 PolarHBondContact NH2-OE2 3.15Å; R318-E322 VanDerWaalsContact NH2-OE2 3.15Å; R318-E322 WeakPolarHBondContact O-CB 3.47Å; R318-E322 PolarHBondContact O-N 3.01Å; L319-E322 PolarHBondContact O-N 2.92Å; E322-R324 VanDerWaalsContact C-N 3.33Å; E322-R324 PolarHBondContact O-N 3.11Å; E322-Y325 WeakPolarHBondContact O-CB 3.46Å; E322-Y325 PolarHBondContact O-N 3.3Å; E322-L326 HydrophobicContact CG-CD1 4.42Å; E322-L326 WeakPolarHBondContact O-CB 3.37Å; E322-L326 WeakPolarHBondContact O-CG 3.3Å; E322-L326 PolarHBondContact O-N 2.81Å
323I93.5Very high92Very high0 Ų055.3 Ų55.30%028%0.279CS..Hα-helixtrans-57.9-46.6175.4-71.2168.9000110.6A281 I284 L285 L303 L319 Y325 L326 V327 F341A281-I323 HydrophobicContact CB-CG1 4.12Å; I284-I323 HydrophobicContact CD1-CD1 3.77Å; L285-I323 HydrophobicContact CD2-CG2 4.25Å; L303-I323 HydrophobicContact CD2-CD1 3.77Å; L319-I323 HydrophobicContact CD1-CD1 4.22Å; L319-I323 HydrophobicContact CD1-CG1 4.49Å; L319-I323 HydrophobicContact CG-CD1 4Å; L319-I323 VanDerWaalsContact O-CG1 3.27Å; L319-I323 WeakPolarHBondContact O-CG1 3.4Å; L319-I323 PolarHBondContact O-N 2.87Å; I323-Y325 VanDerWaalsContact C-N 3.34Å; I323-Y325 PolarHBondContact O-N 2.8Å; I323-L326 PolarHBondContact O-N 3.36Å; I323-V327 HydrophobicContact CG2-CG2 4.3Å; I323-V327 WeakPolarHBondContact O-CB 3.44Å; I323-V327 WeakPolarHBondContact O-CG2 3.43Å; I323-V327 PolarHBondContact O-N 3.36Å; I323-F341 HydrophobicContact CG2-CD1 3.81Å; I323-F341 HydrophobicContact CG2-CD2 3.97Å; I323-F341 HydrophobicContact CG2-CE1 3.94Å; I323-F341 HydrophobicContact CG2-CE2 4.12Å; I323-F341 HydrophobicContact CG2-CG 3.82Å; I323-F341 HydrophobicContact CG2-CZ 4.09Å
324R92.6Very high91.6Very high136 Ų13661 Ų6151%0.51330%0.296SS..Hα-helixtrans-62.1-42.1178.4-72.9171-179.8171.60.4111.9L320 A321 E322 V327L320-R324 VanDerWaalsContact O-CG 3.3Å; L320-R324 WeakPolarHBondContact O-CG 2.86Å; L320-R324 PolarHBondContact O-N 2.93Å; L320-R324 VanDerWaalsContact O-N 3.12Å; A321-R324 PolarHBondContact O-N 3.05Å; E322-R324 VanDerWaalsContact C-N 3.33Å; E322-R324 PolarHBondContact O-N 3.11Å; R324-V327 PolarHBondContact O-N 2.93Å
325Y92.5Very high91.1Very high91 Ų9160.5 Ų60.536%0.35729%0.288SS..Hα-helixtrans-62.8-44.3176178.4-110.6000112.2L220 A321 E322 I323 V327 E328L220-Y325 HydrophobicContact CD2-CG 4.19Å; A321-Y325 WeakPolarHBondContact O-CB 3.25Å; A321-Y325 PolarHBondContact O-N 2.85Å; E322-Y325 WeakPolarHBondContact O-CB 3.46Å; E322-Y325 PolarHBondContact O-N 3.3Å; I323-Y325 VanDerWaalsContact C-N 3.34Å; I323-Y325 PolarHBondContact O-N 2.8Å; Y325-V327 PolarHBondContact O-N 3.2Å; Y325-E328 PolarHBondContact O-N 2.77Å
326L91.3Very high90.4Very high2 Ų261 Ų611%0.0129%0.29CS..Hα-helixtrans-67.9-34.6179-71.1176.7000112.9A281 L285 E322 I323 E328 K329 Y332A281-L326 HydrophobicContact CB-CD1 3.71Å; L285-L326 HydrophobicContact CD1-CB 3.39Å; L285-L326 HydrophobicContact CD1-CD1 4.02Å; L285-L326 HydrophobicContact CD1-CG 4.36Å; E322-L326 HydrophobicContact CG-CD1 4.42Å; E322-L326 WeakPolarHBondContact O-CB 3.37Å; E322-L326 WeakPolarHBondContact O-CG 3.3Å; E322-L326 PolarHBondContact O-N 2.81Å; I323-L326 PolarHBondContact O-N 3.36Å; L326-E328 PolarHBondContact O-N 3.07Å; L326-K329 HydrophobicContact CD2-CD 3.98Å; L326-K329 VanDerWaalsContact O-CB 3.3Å; L326-K329 WeakPolarHBondContact O-CB 3.37Å; L326-K329 PolarHBondContact O-N 2.69Å; L326-Y332 VanDerWaalsContact O-CD2 3.28Å; L326-Y332 WeakPolarHBondContact O-CD2 3.37Å
327V91.6Very high89.1Confident16 Ų1661.4 Ų61.410%0.09731%0.312CS..Hα-helixtrans-62.8-28177.1169.50000111.9L285 I323 R324 Y325 K329 L336 F341L285-V327 HydrophobicContact CD1-CG2 4.31Å; L285-V327 HydrophobicContact CD2-CG2 3.72Å; I323-V327 HydrophobicContact CG2-CG2 4.3Å; I323-V327 WeakPolarHBondContact O-CB 3.44Å; I323-V327 WeakPolarHBondContact O-CG2 3.43Å; I323-V327 PolarHBondContact O-N 3.36Å; R324-V327 PolarHBondContact O-N 2.93Å; Y325-V327 PolarHBondContact O-N 3.2Å; V327-K329 VanDerWaalsContact C-N 3.31Å; V327-L336 HydrophobicContact CG2-CD1 4.41Å; V327-F341 HydrophobicContact CG1-CE2 4.44Å; V327-F341 HydrophobicContact CG2-CD2 4.47Å; V327-F341 HydrophobicContact CG2-CE2 3.49Å; V327-F341 VanDerWaalsContact CG2-CE2 3.49Å; V327-F341 HydrophobicContact CG2-CZ 3.72Å
328E90.1Very high87.9Confident146 Ų14657 Ų5768%0.68229%0.294SS*.Hα-helixtrans-74.2-20.6176-67.6179.5178.800113.2Y325 L326Y325-E328 PolarHBondContact O-N 2.77Å; L326-E328 PolarHBondContact O-N 3.07Å
329K89.3Confident86.7Confident54 Ų5465.3 Ų65.324%0.23533%0.33CS..SBendtrans-61.9144.5177.2-71.5-170.9171.7-170.30111L326 V327 K331 Y332 K333L326-K329 HydrophobicContact CD2-CD 3.98Å; L326-K329 VanDerWaalsContact O-CB 3.3Å; L326-K329 WeakPolarHBondContact O-CB 3.37Å; L326-K329 PolarHBondContact O-N 2.69Å; V327-K329 VanDerWaalsContact C-N 3.31Å; K329-K331 PolarHBondContact O-N 2.96Å; K329-K331 VanDerWaalsContact O-N 3.12Å; K329-Y332 HydrophobicContact CB-CD2 4.39Å; K329-Y332 PolarHBondContact O-N 3.19Å; K329-Y332 VanDerWaalsContact O-N 3.1Å; K329-K333 WeakPolarHBondContact O-CB 3.45Å; K329-K333 PolarHBondContact O-N 3.25Å
330P87.4Confident86.3Confident96 Ų9668.4 Ų68.462%0.62335%0.349SS*.Hα-helixtrans-60.6-29.5-173.923.2-34000113.7K334P330-K334 WeakPolarHBondContact O-CG 3.03Å; P330-K334 PolarHBondContact O-N 3.4Å
331K86.9Confident86.2Confident105 Ų10567.5 Ų67.546%0.45734%0.343SS..Hα-helixtrans-58.5-50.5175.2-176.3-176.2177.9-1680111.4K329K329-K331 PolarHBondContact O-N 2.96Å; K329-K331 VanDerWaalsContact O-N 3.12Å
332Y88.8Confident86.1Confident4 Ų473.4 Ų73.42%0.01636%0.361CS..Hα-helixtrans-83.4-35.7-176.3-65.1-72.8000112.3T282 L285 D286 I289 L326 K329 K334 A335 L336T282-Y332 WeakPolarHBondContact CG2-OH 2.86Å; L285-Y332 HydrophobicContact CB-CD1 3.73Å; L285-Y332 HydrophobicContact CB-CE1 3.48Å; L285-Y332 VanDerWaalsContact CB-CE1 3.48Å; L285-Y332 HydrophobicContact CD1-CD1 4.08Å; L285-Y332 HydrophobicContact CD1-CD2 4.24Å; L285-Y332 HydrophobicContact CD1-CE1 4.23Å; L285-Y332 HydrophobicContact CD1-CE2 4.36Å; L285-Y332 HydrophobicContact CD1-CG 4.13Å; L285-Y332 HydrophobicContact CG-CD1 4.43Å; L285-Y332 HydrophobicContact CG-CE1 4.49Å; D286-Y332 WeakPolarHBondContact OD1-CE1 3.18Å; D286-Y332 PolarHBondContact OD1-OH 2.87Å; I289-Y332 HydrophobicContact CD1-CD1 3.53Å; I289-Y332 HydrophobicContact CD1-CE1 3.58Å; L326-Y332 VanDerWaalsContact O-CD2 3.28Å; L326-Y332 WeakPolarHBondContact O-CD2 3.37Å; K329-Y332 HydrophobicContact CB-CD2 4.39Å; K329-Y332 PolarHBondContact O-N 3.19Å; K329-Y332 VanDerWaalsContact O-N 3.1Å; Y332-K334 VanDerWaalsContact C-N 3.25Å; Y332-K334 PolarHBondContact O-N 3.27Å; Y332-A335 PolarHBondContact O-N 2.87Å; Y332-L336 HydrophobicContact CD1-CD1 4.18Å; Y332-L336 WeakPolarHBondContact O-CB 3.48Å; Y332-L336 PolarHBondContact O-N 3.26Å
333K87.5Confident86.2Confident145 Ų14575.3 Ų75.363%0.6337%0.371SS*.Hα-helixtrans-59.4-32179.8-170.1175.6-177.8177.20114K329K329-K333 WeakPolarHBondContact O-CB 3.45Å; K329-K333 PolarHBondContact O-N 3.25Å
334K84.5Confident86.1Confident193 Ų19378.4 Ų78.484%0.83939%0.385SS*.Hα-helixtrans-75.1-31.9176-70.3179.6-177.6-178.40112.7P330 Y332P330-K334 WeakPolarHBondContact O-CG 3.03Å; P330-K334 PolarHBondContact O-N 3.4Å; Y332-K334 VanDerWaalsContact C-N 3.25Å; Y332-K334 PolarHBondContact O-N 3.27Å
335A82.3Confident86Confident36 Ų3677 Ų7730%0.29839%0.391SS..Hα-helixtrans-95.8-30.1-173.100000113.5I289 R296 Y332I289-A335 HydrophobicContact CD1-CB 4.01Å; I289-A335 HydrophobicContact CG1-CB 4.06Å; R296-A335 PolarHBondContact NH1-O 3.46Å; R296-A335 VanDerWaalsContact NH1-O 3.11Å; Y332-A335 PolarHBondContact O-N 2.87Å
336L80Confident85.9Confident10 Ų1073.8 Ų73.85%0.05238%0.382CS..  trans-107.2108.5-176.6-59.9178.2000109.6L285 L288 I289 V327 Y332 T338L285-L336 HydrophobicContact CD2-CD1 3.7Å; L288-L336 HydrophobicContact CD2-CD1 4.47Å; L288-L336 HydrophobicContact CD2-CD2 3.81Å; L288-L336 HydrophobicContact CG-CD2 4.11Å; I289-L336 HydrophobicContact CG1-CD2 4.14Å; I289-L336 HydrophobicContact CG1-CG 4.42Å; V327-L336 HydrophobicContact CG2-CD1 4.41Å; Y332-L336 HydrophobicContact CD1-CD1 4.18Å; Y332-L336 WeakPolarHBondContact O-CB 3.48Å; Y332-L336 PolarHBondContact O-N 3.26Å; L336-T338 VanDerWaalsContact C-N 3.31Å
337G66.1Low85.9Confident80 Ų8078.4 Ų78.483%0.82541%0.412SS*.  trans-80-12.6171.500000113.6
338T69.2Low85.9Confident30 Ų3078.8 Ų78.818%0.18442%0.417CS..  trans-99.6132.5-173.951.50000111.5K297 L336K297-T338 HydrophobicContact CB-CG2 4.04Å; K297-T338 HydrophobicContact CG-CG2 4.11Å; L336-T338 VanDerWaalsContact C-N 3.31Å
339K69.6Low86Confident175 Ų17579.4 Ų79.476%0.76142%0.417SS*.  trans-110.6-5.8-179.7-66.3-175.7177.7-176.30113.8F341K339-F341 PolarHBondContact O-N 3.14Å
340T86.6Confident86.1Confident65 Ų6577.9 Ų77.940%0.39942%0.415SS..  trans-97.198.1-172.948.80000110.4A300A300-T340 CarbonylContact C-O 3.57Å
341F92.1Very high86.4Confident11 Ų1175.3 Ų75.35%0.04840%0.396CS..  trans-101.7122.9170-65.2-90.2000109.3L285 L288 A300 L320 I323 V327 K339L285-F341 HydrophobicContact CD2-CE1 4.21Å; L285-F341 HydrophobicContact CD2-CZ 3.94Å; L288-F341 HydrophobicContact CD2-CE1 4.11Å; L288-F341 HydrophobicContact CD2-CZ 4.34Å; A300-F341 HydrophobicContact CB-CD1 4.2Å; A300-F341 HydrophobicContact CB-CE1 3.96Å; A300-F341 HydrophobicContact CB-CZ 4.47Å; A300-F341 WeakPolarHBondContact O-CA 3.29Å; L320-F341 HydrophobicContact CD1-CB 4.02Å; I323-F341 HydrophobicContact CG2-CD1 3.81Å; I323-F341 HydrophobicContact CG2-CD2 3.97Å; I323-F341 HydrophobicContact CG2-CE1 3.94Å; I323-F341 HydrophobicContact CG2-CE2 4.12Å; I323-F341 HydrophobicContact CG2-CG 3.82Å; I323-F341 HydrophobicContact CG2-CZ 4.09Å; V327-F341 HydrophobicContact CG1-CE2 4.44Å; V327-F341 HydrophobicContact CG2-CD2 4.47Å; V327-F341 HydrophobicContact CG2-CE2 3.49Å; V327-F341 VanDerWaalsContact CG2-CE2 3.49Å; V327-F341 HydrophobicContact CG2-CZ 3.72Å; K339-F341 PolarHBondContact O-N 3.14Å
342R92.9Very high86.7Confident147 Ų14771.2 Ų71.256%0.55538%0.38SS*.  trans-123.8136.5173.2-44.7175.9177.6157.50.3109.2E301 L303E301-R342 VanDerWaalsContact O-CB 3.26Å; E301-R342 WeakPolarHBondContact O-CB 3.45Å; E301-R342 VanDerWaalsContact O-O 3.06Å; L303-R342 WeakPolarHBondContact CB-O 3.48Å; L303-R342 PolarHBondContact N-O 3.16Å
343I94.9Very high87Confident39 Ų3971 Ų7120%0.238%0.379CS..EExtended strand (participates in β ladder)trans-102.1119178.2-59.6-179.7000107.5L303 V305 L316 L320L303-I343 HydrophobicContact CB-CG1 4.38Å; L303-I343 HydrophobicContact CD2-CD1 4.4Å; L303-I343 HydrophobicContact CD2-CG1 4.05Å; L303-I343 HydrophobicContact CG-CG1 4.45Å; L303-I343 CarbonylContact O-C 3.59Å; L303-I343 VanDerWaalsContact O-CA 3.31Å; L303-I343 WeakPolarHBondContact O-CA 3.45Å; V305-I343 HydrophobicContact CG2-CG2 4.3Å; L316-I343 HydrophobicContact CD2-CG2 4.43Å; L320-I343 HydrophobicContact CB-CD1 4.02Å; L320-I343 HydrophobicContact CD1-CD1 4.29Å; L320-I343 HydrophobicContact CD1-CG1 4.42Å
344H92.8Very high87.4Confident66 Ų6664.4 Ų64.431%0.30635%0.352SS..EExtended strand (participates in β ladder)trans-89.4122.4174.6-70.1-94.4000109.3L131 N302 L303L131-H344 HydrophobicContact CD1-CB 3.85Å; L131-H344 HydrophobicContact CD2-CB 4.41Å; N302-H344 PolarHBondContact OD1-NE2 3.19Å; L303-H344 PolarHBondContact O-N 3.08Å
345T89.9Confident87.9Confident105 Ų10555.2 Ų55.264%0.64431%0.312SS*.PPolyproline II helixtrans-84.2124.1176.851.80000109.9
346P91Very high88.5Confident24 Ų2454.5 Ų54.516%0.15630%0.303CS..PPolyproline II helixtrans-69.8160.5177.126.5-30.1000111.9L131 A348 V353L131-P346 HydrophobicContact CD2-CB 4.43Å; P346-A348 VanDerWaalsContact C-N 3.34Å; P346-A348 PolarHBondContact O-N 2.95Å; P346-V353 HydrophobicContact CB-CB 4.43Å; P346-V353 HydrophobicContact CB-CG1 3.72Å; P346-V353 HydrophobicContact CB-CG2 3.72Å; P346-V353 HydrophobicContact CG-CB 4.37Å; P346-V353 HydrophobicContact CG-CG1 4.05Å; P346-V353 HydrophobicContact CG-CG2 3.35Å
347P89.9Confident89.2Confident99 Ų9954 Ų5464%0.64330%0.301SS*.SBendtrans-68.2-32.8-179.125.9-34000112.9L356P347-L356 HydrophobicContact CG-CD2 3.99Å
348A91.5Very high90.4Very high24 Ų2450.2 Ų50.220%0.19826%0.261CS..SBendtrans-89.5163.9174.100000111.9P346 L356P346-A348 VanDerWaalsContact C-N 3.34Å; P346-A348 PolarHBondContact O-N 2.95Å; A348-L356 HydrophobicContact CB-CB 4.35Å; A348-L356 HydrophobicContact CB-CD2 3.7Å
349K92.5Very high91.5Very high159 Ų15948.9 Ų48.969%0.69125%0.253SS*.  trans-57.5140.2170-62.8-64.2-173.3-179.60110.4M311 N351 C352 V353M311-K349 HydrophobicContact CE-CB 3.5Å; M311-K349 HydrophobicContact CE-CG 4.37Å; K349-N351 PolarHBondContact O-N 3.41Å; K349-C352 PolarHBondContact O-N 3.27Å; K349-V353 WeakPolarHBondContact O-CG2 3.22Å; K349-V353 PolarHBondContact O-N 3.23Å
350A92Very high92.6Very high23 Ų2343.7 Ų43.719%0.1923%0.233CC..G310 helixtrans-46.5-40.1-172.100000115.4G307 M311 C352 V353G307-A350 PolarHBondContact N-O 3.23Å; G307-A350 CarbonylContact O-C 3.56Å; M311-A350 HydrophobicContact CG-CB 4.25Å; A350-C352 VanDerWaalsContact C-N 3.33Å; A350-C352 PolarHBondContact O-N 3.27Å; A350-V353 WeakPolarHBondContact O-CG2 3.3Å
351N92.6Very high92.7Very high42 Ų4241.4 Ų41.423%0.22522%0.218CC..G310 helixtrans-70.5-22.3178.9-171.320000113.7K26 G307 M311 K349K26-N351 WeakPolarHBondContact CE-O 3.42Å; K26-N351 VanDerWaalsContact CE-OD1 3.3Å; K26-N351 WeakPolarHBondContact CE-OD1 3.07Å; K26-N351 PolarHBondContact NZ-ND2 3.45Å; K26-N351 PolarHBondContact NZ-O 3.46Å; K26-N351 PolarHBondContact NZ-OD1 3.02Å; G307-N351 WeakPolarHBondContact O-CA 3.38Å; G307-N351 PolarHBondContact O-N 3.35Å; M311-N351 HydrophobicContact CE-CB 3.45Å; M311-N351 VanDerWaalsContact CE-CB 3.45Å; M311-N351 HydrophobicContact CG-CB 4.27Å; M311-N351 HydrophobicContact SD-CB 3.45Å; M311-N351 WeakPolarHBondContact SD-CB 3.45Å; K349-N351 PolarHBondContact O-N 3.41Å
352C94.4Very high92.4Very high18 Ų1841 Ų4112%0.12222%0.216CC..G310 helixtrans-106.26.5-177.1-63.60000113.4K349 A350 W355 L356K349-C352 PolarHBondContact O-N 3.27Å; A350-C352 VanDerWaalsContact C-N 3.33Å; A350-C352 PolarHBondContact O-N 3.27Å; C352-W355 PolarHBondContact O-N 3.11Å; C352-L356 PolarHBondContact O-N 3.37Å
353V95.6Very high92.1Very high0 Ų036 Ų360%021%0.207CC..Hα-helixtrans-68.2-44.3-174.8-1760000111.2A127 T130 I306 P346 K349 A350 W355 L356 G357A127-V353 HydrophobicContact CB-CG1 3.84Å; T130-V353 HydrophobicContact CG2-CG1 4.03Å; T130-V353 WeakPolarHBondContact CG2-O 3.49Å; T130-V353 WeakPolarHBondContact OG1-CG1 3.32Å; I306-V353 HydrophobicContact CB-CB 4.46Å; I306-V353 HydrophobicContact CG2-CB 3.82Å; I306-V353 HydrophobicContact CG2-CG1 3.83Å; I306-V353 HydrophobicContact CG2-CG2 4.17Å; P346-V353 HydrophobicContact CB-CB 4.43Å; P346-V353 HydrophobicContact CB-CG1 3.72Å; P346-V353 HydrophobicContact CB-CG2 3.72Å; P346-V353 HydrophobicContact CG-CB 4.37Å; P346-V353 HydrophobicContact CG-CG1 4.05Å; P346-V353 HydrophobicContact CG-CG2 3.35Å; K349-V353 WeakPolarHBondContact O-CG2 3.22Å; K349-V353 PolarHBondContact O-N 3.23Å; A350-V353 WeakPolarHBondContact O-CG2 3.3Å; V353-W355 VanDerWaalsContact C-N 3.33Å; V353-W355 PolarHBondContact O-N 3.27Å; V353-L356 PolarHBondContact O-N 2.8Å; V353-G357 PolarHBondContact O-N 3.35Å
354A94.4Very high91.5Very high7 Ų738.4 Ų38.46%0.05822%0.219CC..Hα-helixtrans-58.9-46.7175.400000111.1I92 S123 M126 G357 G358I92-A354 WeakPolarHBondContact CD1-O 3.48Å; I92-A354 HydrophobicContact CG2-CB 4.16Å; S123-A354 VanDerWaalsContact OG-CB 3.3Å; S123-A354 WeakPolarHBondContact OG-CB 3.37Å; M126-A354 WeakPolarHBondContact CB-O 3.26Å; A354-G357 PolarHBondContact O-N 3.03Å; A354-G358 PolarHBondContact O-N 3.07Å; A354-G358 VanDerWaalsContact O-N 3.08Å
355W95.9Very high90Very high0 Ų038.8 Ų38.80%022%0.221CC..Hα-helixtrans-57.4-49174.5-172.188.9000113.3V17 D19 K26 E32 G34 P35 I92 C352 V353 G357 G358 A359V17-W355 HydrophobicContact CB-CZ2 4.26Å; V17-W355 HydrophobicContact CG1-CG 4.49Å; V17-W355 PolarHBondContact O-NE1 2.98Å; D19-W355 HydrophobicContact CB-CB 4.28Å; K26-W355 HydrophobicContact CB-CB 4.24Å; K26-W355 HydrophobicContact CB-CG 3.98Å; K26-W355 HydrophobicContact CD-CB 4.33Å; E32-W355 HydrophobicContact CB-CH2 4.28Å; G34-W355 VanDerWaalsContact CA-CZ3 3.42Å; G34-W355 VanDerWaalsContact O-CH2 3.22Å; G34-W355 WeakPolarHBondContact O-CH2 3.49Å; G34-W355 WeakPolarHBondContact O-CZ3 3.3Å; P35-W355 HydrophobicContact CB-CD2 3.75Å; P35-W355 HydrophobicContact CB-CE3 4.08Å; P35-W355 HydrophobicContact CB-CG 4.24Å; P35-W355 HydrophobicContact CB-CH2 4.39Å; P35-W355 HydrophobicContact CB-CZ2 4.06Å; P35-W355 HydrophobicContact CB-CZ3 4.41Å; P35-W355 HydrophobicContact CG-CD2 4.26Å; P35-W355 HydrophobicContact CG-CE3 4.28Å; I92-W355 VanDerWaalsContact CD1-CA 3.46Å; I92-W355 HydrophobicContact CD1-CB 4.4Å; C352-W355 PolarHBondContact O-N 3.11Å; V353-W355 VanDerWaalsContact C-N 3.33Å; V353-W355 PolarHBondContact O-N 3.27Å; W355-G357 VanDerWaalsContact C-N 3.26Å; W355-G357 PolarHBondContact O-N 3.44Å; W355-G358 PolarHBondContact O-N 3.26Å; W355-G358 VanDerWaalsContact O-N 3.15Å; W355-A359 HydrophobicContact CE3-CB 4.25Å; W355-A359 HydrophobicContact CH2-CB 3.8Å; W355-A359 HydrophobicContact CZ2-CB 4.32Å; W355-A359 HydrophobicContact CZ3-CB 3.74Å; W355-A359 PolarHBondContact O-N 3.46Å
356L95.2Very high88.8Confident21 Ų2140.7 Ų40.711%0.1123%0.228CC..Hα-helixtrans-60.8-39.8178.9177.964000111.2T130 P347 A348 C352 V353 G358 A359 I360T130-L356 HydrophobicContact CG2-CB 4.03Å; T130-L356 HydrophobicContact CG2-CD2 4.09Å; T130-L356 HydrophobicContact CG2-CG 3.99Å; P347-L356 HydrophobicContact CG-CD2 3.99Å; A348-L356 HydrophobicContact CB-CB 4.35Å; A348-L356 HydrophobicContact CB-CD2 3.7Å; C352-L356 PolarHBondContact O-N 3.37Å; V353-L356 PolarHBondContact O-N 2.8Å; L356-G358 PolarHBondContact O-N 2.93Å; L356-A359 WeakPolarHBondContact O-CB 3.35Å; L356-A359 PolarHBondContact O-N 2.74Å; L356-A359 VanDerWaalsContact O-N 3.15Å; L356-I360 HydrophobicContact CG-CD1 4.19Å; L356-I360 WeakPolarHBondContact O-CG1 3.44Å; L356-I360 PolarHBondContact O-N 2.89Å
357G93.5Very high87.6Confident0 Ų041.9 Ų41.90%023%0.232CC..Hα-helixtrans-56.8-4717400000113M126 V353 A354 W355 A359 I360 F361M126-G357 WeakPolarHBondContact O-CA 3.28Å; V353-G357 PolarHBondContact O-N 3.35Å; A354-G357 PolarHBondContact O-N 3.03Å; W355-G357 VanDerWaalsContact C-N 3.26Å; W355-G357 PolarHBondContact O-N 3.44Å; G357-A359 VanDerWaalsContact C-N 3.32Å; G357-A359 PolarHBondContact O-N 3.25Å; G357-I360 PolarHBondContact O-N 3.09Å; G357-F361 WeakPolarHBondContact O-CB 3.49Å; G357-F361 PolarHBondContact O-N 3.02Å
358G92.1Very high86.3Confident0 Ų037.3 Ų37.30%020%0.202CC..Hα-helixtrans-68.2-29.2175.100000113.5A354 W355 L356 F361 G362A354-G358 PolarHBondContact O-N 3.07Å; A354-G358 VanDerWaalsContact O-N 3.08Å; W355-G358 PolarHBondContact O-N 3.26Å; W355-G358 VanDerWaalsContact O-N 3.15Å; L356-G358 PolarHBondContact O-N 2.93Å; G358-F361 PolarHBondContact O-N 3.45Å; G358-G362 PolarHBondContact O-N 3.39Å
359A92.9Very high85Confident1 Ų138.4 Ų38.41%0.00822%0.216CC..Hα-helixtrans-68.7-38172.800000112.9V17 G31 W355 L356 G357 A363V17-A359 HydrophobicContact CG2-CB 4.41Å; G31-A359 PolarHBondContact N-O 3.33Å; G31-A359 VanDerWaalsContact N-O 3.07Å; W355-A359 HydrophobicContact CE3-CB 4.25Å; W355-A359 HydrophobicContact CH2-CB 3.8Å; W355-A359 HydrophobicContact CZ2-CB 4.32Å; W355-A359 HydrophobicContact CZ3-CB 3.74Å; W355-A359 PolarHBondContact O-N 3.46Å; L356-A359 WeakPolarHBondContact O-CB 3.35Å; L356-A359 PolarHBondContact O-N 2.74Å; L356-A359 VanDerWaalsContact O-N 3.15Å; G357-A359 VanDerWaalsContact C-N 3.32Å; G357-A359 PolarHBondContact O-N 3.25Å; A359-A363 WeakPolarHBondContact O-CB 3.35Å; A359-A363 PolarHBondContact O-N 2.91Å
360I91.6Very high83.9Confident67 Ų6732.2 Ų32.234%0.34419%0.193SC..Hα-helixtrans-67.4-49.6171.3-65.1165.5000109.4T130 L356 G357 G362 A363 L364T130-I360 HydrophobicContact CG2-CD1 4.43Å; L356-I360 HydrophobicContact CG-CD1 4.19Å; L356-I360 WeakPolarHBondContact O-CG1 3.44Å; L356-I360 PolarHBondContact O-N 2.89Å; G357-I360 PolarHBondContact O-N 3.09Å; I360-G362 VanDerWaalsContact C-N 3.3Å; I360-G362 PolarHBondContact O-N 3.28Å; I360-A363 PolarHBondContact O-N 3.09Å; I360-A363 VanDerWaalsContact O-N 3.07Å; I360-L364 HydrophobicContact CG2-CD1 4.38Å; I360-L364 WeakPolarHBondContact O-CG 3.42Å; I360-L364 PolarHBondContact O-N 2.99Å
361F89.1Confident83.2Confident17 Ų1736.5 Ų36.58%0.07520%0.204CC..Hα-helixtrans-60-40.7-179.2-164-91.1000112.3L119 M126 L129 G357 G358 A363 L364 I367L119-F361 HydrophobicContact CD2-CD1 3.52Å; L119-F361 HydrophobicContact CD2-CE1 3.26Å; L119-F361 HydrophobicContact CD2-CZ 4.42Å; M126-F361 HydrophobicContact CE-CB 4.48Å; M126-F361 HydrophobicContact CE-CD1 4.47Å; M126-F361 HydrophobicContact CE-CD2 3.81Å; M126-F361 HydrophobicContact CE-CE2 4.01Å; M126-F361 HydrophobicContact CE-CG 4.01Å; M126-F361 HydrophobicContact CE-CZ 4.43Å; M126-F361 HydrophobicContact SD-CB 3.7Å; M126-F361 HydrophobicContact SD-CD1 4.48Å; M126-F361 HydrophobicContact SD-CD2 4.14Å; M126-F361 HydrophobicContact SD-CG 3.86Å; L129-F361 HydrophobicContact CD1-CB 4.34Å; L129-F361 HydrophobicContact CD1-CD2 3.53Å; L129-F361 HydrophobicContact CD1-CE2 4.27Å; L129-F361 HydrophobicContact CD1-CG 4.39Å; G357-F361 WeakPolarHBondContact O-CB 3.49Å; G357-F361 PolarHBondContact O-N 3.02Å; G358-F361 PolarHBondContact O-N 3.45Å; F361-A363 VanDerWaalsContact C-N 3.31Å; F361-A363 PolarHBondContact O-N 3.13Å; F361-L364 PolarHBondContact O-N 3.27Å; F361-I367 HydrophobicContact CD1-CG2 4.25Å; F361-I367 HydrophobicContact CD2-CG2 4.34Å; F361-I367 HydrophobicContact CE1-CB 4.5Å; F361-I367 HydrophobicContact CE1-CG2 3.43Å; F361-I367 VanDerWaalsContact CE1-CG2 3.43Å; F361-I367 HydrophobicContact CE2-CD1 4.48Å; F361-I367 HydrophobicContact CE2-CG2 3.62Å; F361-I367 HydrophobicContact CZ-CB 4.44Å; F361-I367 HydrophobicContact CZ-CG2 3.12Å
362G86Confident82.8Confident1 Ų135.1 Ų35.11%0.0120%0.197CC..Hα-helixtrans-75.2-15.4177.700000114.6A30 G358 I360 L368A30-G362 VanDerWaalsContact CB-C 3.45Å; G358-G362 PolarHBondContact O-N 3.39Å; I360-G362 VanDerWaalsContact C-N 3.3Å; I360-G362 PolarHBondContact O-N 3.28Å; G362-L368 WeakPolarHBondContact O-CD1 3.41Å
363A86.4Confident82.5Confident44 Ų4434.6 Ų34.636%0.36419%0.194SC..Hα-helixtrans-83.4-24.7174.500000111.8A359 I360 F361 Q365A359-A363 WeakPolarHBondContact O-CB 3.35Å; A359-A363 PolarHBondContact O-N 2.91Å; I360-A363 PolarHBondContact O-N 3.09Å; I360-A363 VanDerWaalsContact O-N 3.07Å; F361-A363 VanDerWaalsContact C-N 3.31Å; F361-A363 PolarHBondContact O-N 3.13Å; A363-Q365 PolarHBondContact O-N 2.92Å
364L81.6Confident82.3Confident88 Ų8836.4 Ų36.446%0.46121%0.207SC..  trans-79.199.1179.6-63.2170.6000110.2I360 F361 D366 I367 L368I360-L364 HydrophobicContact CG2-CD1 4.38Å; I360-L364 WeakPolarHBondContact O-CG 3.42Å; I360-L364 PolarHBondContact O-N 2.99Å; F361-L364 PolarHBondContact O-N 3.27Å; L364-D366 PolarHBondContact O-N 3.3Å; L364-I367 HydrophobicContact CB-CB 4.47Å; L364-I367 HydrophobicContact CB-CD1 3.8Å; L364-I367 HydrophobicContact CB-CG1 4.1Å; L364-I367 HydrophobicContact CD1-CD1 3.7Å; L364-I367 HydrophobicContact CG-CD1 4.39Å; L364-I367 PolarHBondContact O-N 3.46Å; L364-L368 PolarHBondContact O-N 3.21Å
365Q62.5Low82.1Confident75 Ų7538.4 Ų38.435%0.3521%0.214SC..Hα-helixtrans-62.1-38.8-169.7-65-57.7-23.400114.3A363 I367 L368 G369A363-Q365 PolarHBondContact O-N 2.92Å; Q365-I367 PolarHBondContact O-N 3.06Å; Q365-L368 PolarHBondContact O-N 2.86Å; Q365-G369 PolarHBondContact O-N 3.27Å
366D64Low81.8Confident145 Ų14544.2 Ų44.278%0.77524%0.241SC*.Hα-helixtrans-61.1-30.6179.8-62.7-31.1000112.1L364 S370L364-D366 PolarHBondContact O-N 3.3Å; D366-S370 PolarHBondContact O-OG 3.49Å
367I65.3Low81.4Confident48 Ų4843.5 Ų43.525%0.24624%0.237CC..Hα-helixtrans-83.3-43.6-175-53.3-179.6000110.6F361 L364 Q365 S370 R371F361-I367 HydrophobicContact CD1-CG2 4.25Å; F361-I367 HydrophobicContact CD2-CG2 4.34Å; F361-I367 HydrophobicContact CE1-CB 4.5Å; F361-I367 HydrophobicContact CE1-CG2 3.43Å; F361-I367 VanDerWaalsContact CE1-CG2 3.43Å; F361-I367 HydrophobicContact CE2-CD1 4.48Å; F361-I367 HydrophobicContact CE2-CG2 3.62Å; F361-I367 HydrophobicContact CZ-CB 4.44Å; F361-I367 HydrophobicContact CZ-CG2 3.12Å; L364-I367 HydrophobicContact CB-CB 4.47Å; L364-I367 HydrophobicContact CB-CD1 3.8Å; L364-I367 HydrophobicContact CB-CG1 4.1Å; L364-I367 HydrophobicContact CD1-CD1 3.7Å; L364-I367 HydrophobicContact CG-CD1 4.39Å; L364-I367 PolarHBondContact O-N 3.46Å; Q365-I367 PolarHBondContact O-N 3.06Å; I367-S370 PolarHBondContact O-N 2.8Å; I367-R371 WeakPolarHBondContact O-CB 3.37Å; I367-R371 PolarHBondContact O-N 3.1Å
368L62.9Low81.2Confident3 Ų344.3 Ų44.32%0.01624%0.24CC..Hα-helixtrans-64.9-39.1176.4-75.7-169.9000112.4A15 V90 L119 G362 L364 Q365 S370 S372A15-L368 HydrophobicContact CB-CD1 3.84Å; V90-L368 HydrophobicContact CG2-CD2 3.67Å; L119-L368 HydrophobicContact CD2-CD2 3.82Å; G362-L368 WeakPolarHBondContact O-CD1 3.41Å; L364-L368 PolarHBondContact O-N 3.21Å; Q365-L368 PolarHBondContact O-N 2.86Å; L368-S370 VanDerWaalsContact C-N 3.31Å; L368-S370 PolarHBondContact O-N 3.04Å; L368-S372 VanDerWaalsContact O-CB 3.24Å; L368-S372 WeakPolarHBondContact O-CB 3.37Å; L368-S372 PolarHBondContact O-N 2.93Å; L368-S372 PolarHBondContact O-OG 3.22Å
369G64.1Low81.1Confident48 Ų4848.3 Ų48.350%0.49526%0.261SS..Hα-helixtrans-64.6-34.1-179.700000113.5Q365Q365-G369 PolarHBondContact O-N 3.27Å
370S69.6Low80.8Confident28 Ų2855.1 Ų55.120%0.19629%0.293CS..Hα-helixtrans-96.4-33.3-176.5-60.20000114.2D366 I367 L368 F399D366-S370 PolarHBondContact O-OG 3.49Å; I367-S370 PolarHBondContact O-N 2.8Å; L368-S370 VanDerWaalsContact C-N 3.31Å; L368-S370 PolarHBondContact O-N 3.04Å; S370-F399 WeakPolarHBondContact O-CD1 3.43Å; S370-F399 WeakPolarHBondContact O-CE1 3.5Å
371R77.6Confident80.5Confident113 Ų11354.2 Ų54.243%0.42629%0.291SS..Hα-helixtrans-103-12.8-171.4-62.8-170.3177-167.6-0.5114.8I367I367-R371 WeakPolarHBondContact O-CB 3.37Å; I367-R371 PolarHBondContact O-N 3.1Å
372S85.1Confident80.2Confident13 Ų1355.3 Ų55.39%0.09131%0.307CS..SBendtrans-79.1151.4176.872.10000111.4S117 L368S117-S372 WeakPolarHBondContact CB-OG 3.32Å; S117-S372 PolarHBondContact OG-OG 3.17Å; L368-S372 VanDerWaalsContact O-CB 3.24Å; L368-S372 WeakPolarHBondContact O-CB 3.37Å; L368-S372 PolarHBondContact O-N 2.93Å; L368-S372 PolarHBondContact O-OG 3.22Å
373V88.4Confident79.9Confident8 Ų862 Ų625%0.04833%0.332CS..EExtended strand (participates in β ladder)trans-88.9127.2175.7178.10000109F110 S117 V118 Y377 I384 M398F110-V373 HydrophobicContact CE2-CG1 4.5Å; F110-V373 HydrophobicContact CZ-CG1 4.36Å; F110-V373 WeakPolarHBondContact CZ-O 3.25Å; S117-V373 CarbonylContact C-O 3.52Å; S117-V373 WeakPolarHBondContact CA-O 3.4Å; S117-V373 WeakPolarHBondContact CB-O 3.32Å; V118-V373 HydrophobicContact CG2-CB 4.43Å; V118-V373 PolarHBondContact N-O 2.87Å; V118-V373 PolarHBondContact O-N 2.96Å; V373-Y377 HydrophobicContact CG1-CD1 3.61Å; V373-Y377 HydrophobicContact CG1-CE1 4.46Å; V373-Y377 HydrophobicContact CG1-CG 4.27Å; V373-I384 HydrophobicContact CB-CD1 4.49Å; V373-I384 HydrophobicContact CB-CG1 4.29Å; V373-I384 HydrophobicContact CG1-CG1 4.12Å; V373-I384 HydrophobicContact CG2-CG1 4.19Å; V373-I384 HydrophobicContact CG2-CG2 4.19Å; V373-M398 HydrophobicContact CG2-CE 3.6Å
374S91Very high79.6Confident38 Ų3861.3 Ų61.327%0.26632%0.322SS..EExtended strand (participates in β ladder)trans-82.1161.3176.1690000112.6E376 Y377 Y378S374-E376 VanDerWaalsContact C-N 3.29Å; S374-E376 WeakPolarHBondContact CB-OE2 3.28Å; S374-E376 PolarHBondContact O-N 3.45Å; S374-Y377 PolarHBondContact O-N 2.94Å; S374-Y377 WeakPolarHBondContact OG-CB 3.11Å; S374-Y377 PolarHBondContact OG-N 3.14Å; S374-Y378 PolarHBondContact O-N 3.25Å; S374-Y378 VanDerWaalsContact O-N 3.1Å
375K89.8Confident79.5Confident49 Ų4958.4 Ų58.421%0.21331%0.308CS..Hα-helixtrans-62.2-37.6173.9-172.4-178.4-179.8-173.30111.8F110 E114 P116 Y378 N379F110-K375 HydrophobicContact CD1-CB 3.79Å; F110-K375 HydrophobicContact CD1-CG 3.89Å; F110-K375 VanDerWaalsContact CE1-CA 3.46Å; F110-K375 HydrophobicContact CE1-CB 3.84Å; F110-K375 HydrophobicContact CE1-CG 4.45Å; E114-K375 IonicContact OE1-NZ 2.72Å; P116-K375 PolarHBondContact O-N 2.97Å; K375-Y378 PolarHBondContact O-N 2.96Å; K375-N379 PolarHBondContact O-N 3.29Å; K375-N379 PolarHBondContact O-ND2 3.42Å
376E89.1Confident80Confident122 Ų12255.3 Ų55.357%0.5729%0.294SS*.Hα-helixtrans-60.7-49.1177.3-66.971.4-151.400110.8S374 Y378 N379 Q380S374-E376 VanDerWaalsContact C-N 3.29Å; S374-E376 WeakPolarHBondContact CB-OE2 3.28Å; S374-E376 PolarHBondContact O-N 3.45Å; E376-Y378 PolarHBondContact O-N 2.76Å; E376-N379 PolarHBondContact O-N 3.38Å; E376-Q380 WeakPolarHBondContact O-CG 3.49Å; E376-Q380 PolarHBondContact O-N 2.86Å
377Y87.1Confident80.4Confident6 Ų653.5 Ų53.52%0.02428%0.277CS..Hα-helixtrans-58.4-48.6177.1-174-92.8000111.3V373 S374 N379 Q380 T381 P393 M397 M398V373-Y377 HydrophobicContact CG1-CD1 3.61Å; V373-Y377 HydrophobicContact CG1-CE1 4.46Å; V373-Y377 HydrophobicContact CG1-CG 4.27Å; S374-Y377 PolarHBondContact O-N 2.94Å; S374-Y377 WeakPolarHBondContact OG-CB 3.11Å; S374-Y377 PolarHBondContact OG-N 3.14Å; Y377-N379 VanDerWaalsContact C-N 3.29Å; Y377-N379 PolarHBondContact O-N 2.82Å; Y377-Q380 PolarHBondContact O-N 3.44Å; Y377-Q380 VanDerWaalsContact O-N 3.12Å; Y377-T381 PolarHBondContact O-N 3.05Å; Y377-T381 PolarHBondContact O-OG1 3.37Å; Y377-P393 HydrophobicContact CE1-CG 4.43Å; Y377-P393 WeakPolarHBondContact OH-CG 3.44Å; Y377-M397 HydrophobicContact CD2-CB 4.16Å; Y377-M397 WeakPolarHBondContact CD2-O 3.34Å; Y377-M397 HydrophobicContact CE2-CB 3.61Å; Y377-M397 WeakPolarHBondContact CE2-O 3.3Å; Y377-M398 HydrophobicContact CD2-CG 4.24Å; Y377-M398 HydrophobicContact CE1-CG 3.96Å; Y377-M398 HydrophobicContact CE2-CB 4.19Å; Y377-M398 HydrophobicContact CE2-CG 3.57Å; Y377-M398 WeakPolarHBondContact OH-CG 3.49Å
378Y89.3Confident80.2Confident17 Ų1754.9 Ų54.97%0.06729%0.29CS..Hα-helixtrans-62-34.8179.6-178.7-105.6000113T106 F110 S374 K375 E376 Q380 G382T106-Y378 HydrophobicContact CG2-CD2 3.64Å; T106-Y378 HydrophobicContact CG2-CE1 4.46Å; T106-Y378 HydrophobicContact CG2-CE2 3.34Å; T106-Y378 HydrophobicContact CG2-CG 4.34Å; F110-Y378 HydrophobicContact CB-CD1 3.55Å; F110-Y378 HydrophobicContact CB-CE1 3.81Å; F110-Y378 HydrophobicContact CB-CG 4.4Å; F110-Y378 AromaticContact CD2-CD1 3.34Å; F110-Y378 HydrophobicContact CD2-CD1 3.34Å; F110-Y378 AromaticContact CD2-CD2 3.88Å; F110-Y378 HydrophobicContact CD2-CD2 3.88Å; F110-Y378 AromaticContact CD2-CE1 3.9Å; F110-Y378 HydrophobicContact CD2-CE1 3.9Å; F110-Y378 HydrophobicContact CD2-CE2 4.4Å; F110-Y378 AromaticContact CD2-CG 3.31Å; F110-Y378 HydrophobicContact CD2-CG 3.31Å; F110-Y378 HydrophobicContact CE2-CD1 4.16Å; F110-Y378 HydrophobicContact CE2-CD2 4.08Å; F110-Y378 AromaticContact CE2-CG 3.66Å; F110-Y378 HydrophobicContact CE2-CG 3.66Å; F110-Y378 AromaticContact CG-CD1 3.67Å; F110-Y378 HydrophobicContact CG-CD1 3.67Å; F110-Y378 HydrophobicContact CG-CE1 4.28Å; F110-Y378 HydrophobicContact CG-CG 4.04Å; S374-Y378 PolarHBondContact O-N 3.25Å; S374-Y378 VanDerWaalsContact O-N 3.1Å; K375-Y378 PolarHBondContact O-N 2.96Å; E376-Y378 PolarHBondContact O-N 2.76Å; Y378-Q380 VanDerWaalsContact C-N 3.34Å; Y378-G382 WeakPolarHBondContact CE2-O 3.35Å; Y378-G382 WeakPolarHBondContact O-CA 3.39Å; Y378-G382 PolarHBondContact O-N 3.04Å
379N89.4Confident80.2Confident83 Ų8356.9 Ų56.944%0.44430%0.304SS..Hα-helixtrans-70.5-30177-74.9-33.4000113.1K111 K375 E376 Y377K111-N379 PolarHBondContact NZ-OD1 2.76Å; K375-N379 PolarHBondContact O-N 3.29Å; K375-N379 PolarHBondContact O-ND2 3.42Å; E376-N379 PolarHBondContact O-N 3.38Å; Y377-N379 VanDerWaalsContact C-N 3.29Å; Y377-N379 PolarHBondContact O-N 2.82Å
380Q88.1Confident79.7Confident144 Ų14463 Ų6367%0.67332%0.324SS*.Hα-helixtrans-79.7-45.8177.5-67175.69.700111.8E376 Y377 Y378E376-Q380 WeakPolarHBondContact O-CG 3.49Å; E376-Q380 PolarHBondContact O-N 2.86Å; Y377-Q380 PolarHBondContact O-N 3.44Å; Y377-Q380 VanDerWaalsContact O-N 3.12Å; Y378-Q380 VanDerWaalsContact C-N 3.34Å
381T84.1Confident79.1Confident49 Ų4969.2 Ų69.230%0.30136%0.355SS..Hα-helixtrans-91-28.3-174.2-41.20000113.8Y377 R383 P393Y377-T381 PolarHBondContact O-N 3.05Å; Y377-T381 PolarHBondContact O-OG1 3.37Å; T381-R383 PolarHBondContact O-N 2.65Å; T381-P393 HydrophobicContact CG2-CB 3.6Å; T381-P393 HydrophobicContact CG2-CG 3.41Å; T381-P393 VanDerWaalsContact CG2-CG 3.41Å
382G82Confident78.2Confident40 Ų4066.8 Ų66.841%0.41235%0.351SS..SBendtrans78.3-9.3-177.700000115.8Y378Y378-G382 WeakPolarHBondContact CE2-O 3.35Å; Y378-G382 WeakPolarHBondContact O-CA 3.39Å; Y378-G382 PolarHBondContact O-N 3.04Å
383R79.7Confident76.8Confident142 Ų14267.6 Ų67.654%0.53636%0.355SS..SBendtrans-144.4157178.8-70.4-171.6-175-178.91112.8E103 T381E103-R383 VanDerWaalsContact OE1-CD 3.27Å; E103-R383 WeakPolarHBondContact OE1-CD 3.46Å; E103-R383 IonicContact OE1-CZ 3.15Å; E103-R383 IonicContact OE1-NE 3.54Å; E103-R383 PolarHBondContact OE1-NE 2.93Å; E103-R383 VanDerWaalsContact OE1-NE 3.1Å; E103-R383 IonicContact OE1-NH1 3.32Å; E103-R383 PolarHBondContact OE1-NH1 2.83Å; E103-R383 VanDerWaalsContact OE1-NH1 3.08Å; E103-R383 IonicContact OE1-NH2 3.67Å; E103-R383 IonicContact OE2-CZ 3.83Å; E103-R383 IonicContact OE2-NE 3.26Å; E103-R383 IonicContact OE2-NH2 3.16Å; T381-R383 PolarHBondContact O-N 2.65Å
384I81.9Confident75.2Confident28 Ų2871.2 Ų71.214%0.14438%0.379CS..  trans-88140169.4-71.2178.4000108.5T106 F110 V118 L120 V373 D386T106-I384 HydrophobicContact CG2-CD1 3.42Å; T106-I384 VanDerWaalsContact CG2-CD1 3.42Å; T106-I384 HydrophobicContact CG2-CG1 3.78Å; T106-I384 WeakPolarHBondContact OG1-CD1 3.26Å; F110-I384 HydrophobicContact CE2-CD1 4.41Å; V118-I384 HydrophobicContact CG2-CD1 3.42Å; V118-I384 VanDerWaalsContact CG2-CD1 3.42Å; L120-I384 HydrophobicContact CD1-CD1 4.22Å; L120-I384 HydrophobicContact CD1-CG2 4Å; L120-I384 HydrophobicContact CG-CD1 4.37Å; V373-I384 HydrophobicContact CB-CD1 4.49Å; V373-I384 HydrophobicContact CB-CG1 4.29Å; V373-I384 HydrophobicContact CG1-CG1 4.12Å; V373-I384 HydrophobicContact CG2-CG1 4.19Å; V373-I384 HydrophobicContact CG2-CG2 4.19Å; I384-D386 PolarHBondContact O-N 3.43Å
385P77.8Confident73.5Confident28 Ų2874.5 Ų74.518%0.18239%0.393CS..  trans-62.4134.6174.926.9-36000111N392 M398P385-N392 VanDerWaalsContact CA-OD1 3.22Å; P385-N392 WeakPolarHBondContact CA-OD1 3.41Å; P385-N392 HydrophobicContact CB-CB 4.13Å; P385-M398 HydrophobicContact CG-CE 3.68Å; P385-M398 HydrophobicContact CG-SD 3.69Å
386D74.6Confident71.6Confident10 Ų1080.1 Ų80.15%0.05342%0.42CS..  trans-113.8137.6-176.2172.913.6000109.1S99 R102 I384 C388 S389 N392S99-D386 PolarHBondContact OG-OD2 3.48Å; R102-D386 IonicContact CZ-OD1 3.08Å; R102-D386 IonicContact CZ-OD2 2.73Å; R102-D386 IonicContact NH1-OD1 3.61Å; R102-D386 PolarHBondContact NH1-OD1 2.98Å; R102-D386 IonicContact NH1-OD2 2.96Å; R102-D386 IonicContact NH2-OD1 3.74Å; R102-D386 PolarHBondContact NH2-OD1 3.3Å; R102-D386 IonicContact NH2-OD2 3.06Å; R102-D386 PolarHBondContact NH2-OD2 2.81Å; I384-D386 PolarHBondContact O-N 3.43Å; D386-C388 PolarHBondContact O-N 3.14Å; D386-C388 PolarHBondContact OD1-N 3.18Å; D386-C388 WeakPolarHBondContact OD2-CB 3.39Å; D386-S389 PolarHBondContact O-N 2.79Å; D386-S389 PolarHBondContact OD2-OG 3.46Å; D386-N392 PolarHBondContact N-OD1 3.46Å; D386-N392 PolarHBondContact O-ND2 2.69Å; D386-N392 PolarHBondContact O-OD1 3.13Å
387W72Confident69.6Low107 Ų10779.9 Ų79.941%0.40542%0.42SS..THydrogen-bonded Turntrans-61.7-20.2173.850.5-86.9000112.7V95 L158V95-W387 HydrophobicContact CG1-CD2 4.07Å; V95-W387 HydrophobicContact CG1-CE3 3.84Å; V95-W387 HydrophobicContact CG1-CH2 3.81Å; V95-W387 HydrophobicContact CG1-CZ2 4.12Å; V95-W387 HydrophobicContact CG1-CZ3 3.62Å; V95-W387 VanDerWaalsContact O-CE2 3.3Å; V95-W387 WeakPolarHBondContact O-CH2 3.44Å; V95-W387 WeakPolarHBondContact O-CZ2 3.45Å; L158-W387 HydrophobicContact CD1-CE3 4.29Å; L158-W387 HydrophobicContact CD2-CE3 4.42Å
388C61.1Low67.6Low77 Ų7781 Ų8152%0.5243%0.427SS..THydrogen-bonded Turntrans-88.4-19.1171.8-87.60000114.9D386D386-C388 PolarHBondContact O-N 3.14Å; D386-C388 PolarHBondContact OD1-N 3.18Å; D386-C388 WeakPolarHBondContact OD2-CB 3.39Å
389S62.2Low65.8Low45 Ų4582.9 Ų82.932%0.31544%0.435SS..  trans-100.4113.8-170.7-66.10000110.9D386 N391 N392D386-S389 PolarHBondContact O-N 2.79Å; D386-S389 PolarHBondContact OD2-OG 3.46Å; S389-N391 PolarHBondContact O-N 3.12Å; S389-N392 PolarHBondContact O-ND2 2.93Å; S389-N392 PolarHBondContact O-OD1 3.25Å
390L54.2Low63.5Low176 Ų17685.7 Ų85.792%0.92145%0.45SS*.THydrogen-bonded Turntrans-69.6-22.2174.8-72.3165.1000112.8N392L390-N392 PolarHBondContact O-N 3.29Å
391N56.6Low61Low159 Ų15985.9 Ų85.985%0.8546%0.461SS*.THydrogen-bonded Turntrans-81.734.5176.9-73.7-7.3000112.5S389S389-N391 PolarHBondContact O-N 3.12Å
392N59.8Low59Low62 Ų6287.3 Ų87.333%0.33249%0.485SS..PPolyproline II helixtrans-67.5130.8175.8-75.2-24.6000108.8P385 D386 S389 L390P385-N392 VanDerWaalsContact CA-OD1 3.22Å; P385-N392 WeakPolarHBondContact CA-OD1 3.41Å; P385-N392 HydrophobicContact CB-CB 4.13Å; D386-N392 PolarHBondContact N-OD1 3.46Å; D386-N392 PolarHBondContact O-ND2 2.69Å; D386-N392 PolarHBondContact O-OD1 3.13Å; S389-N392 PolarHBondContact O-ND2 2.93Å; S389-N392 PolarHBondContact O-OD1 3.25Å; L390-N392 PolarHBondContact O-N 3.29Å
393P55.7Low57.2Low29 Ų2992.9 Ų92.919%0.18850%0.498CS..PPolyproline II helixtrans-53.2152.5168.429-42.2000110.9Y377 T381 L395Y377-P393 HydrophobicContact CE1-CG 4.43Å; Y377-P393 WeakPolarHBondContact OH-CG 3.44Å; T381-P393 HydrophobicContact CG2-CB 3.6Å; T381-P393 HydrophobicContact CG2-CG 3.41Å; T381-P393 VanDerWaalsContact CG2-CG 3.41Å; P393-L395 PolarHBondContact O-N 3.2Å
394P54.2Low55.1Low84 Ų8492 Ų9255%0.54551%0.509SS..PPolyproline II helixtrans-56.1127-17920.9-30.9000111.1E396 M397P394-E396 PolarHBondContact O-N 3.08Å; P394-M397 PolarHBondContact O-N 3.17Å
395L54.9Low52.9Low107 Ų10799 Ų9956%0.5654%0.541SS*.G310 helixtrans-57.7-18.7-179.2-69.2170.3000113.2P393 M397 M398 F399P393-L395 PolarHBondContact O-N 3.2Å; L395-M397 PolarHBondContact O-N 2.92Å; L395-M398 HydrophobicContact CD2-SD 3.4Å; L395-M398 WeakPolarHBondContact CD2-SD 3.41Å; L395-M398 WeakPolarHBondContact O-CB 3.34Å; L395-M398 PolarHBondContact O-N 2.95Å; L395-F399 HydrophobicContact CB-CE2 4.47Å; L395-F399 WeakPolarHBondContact O-CD2 3.35Å; L395-F399 WeakPolarHBondContact O-CE2 3.21Å
396E49.3Very low51.2Low168 Ų16899.8 Ų99.879%0.78555%0.545SS*.G310 helixtrans-59.5-25.8177.3-69.4-178.6167.200113.3P394P394-E396 PolarHBondContact O-N 3.08Å
397M47.1Very low49.4Very low116 Ų116104.5 Ų104.557%0.57158%0.577SS**G310 helixtrans-86.3-16176.7-75.3-179.8154.400113.6Y377 P394 L395 F399Y377-M397 HydrophobicContact CD2-CB 4.16Å; Y377-M397 WeakPolarHBondContact CD2-O 3.34Å; Y377-M397 HydrophobicContact CE2-CB 3.61Å; Y377-M397 WeakPolarHBondContact CE2-O 3.3Å; P394-M397 PolarHBondContact O-N 3.17Å; L395-M397 PolarHBondContact O-N 2.92Å; M397-F399 VanDerWaalsContact C-N 3.31Å
398M46.6Very low47.9Very low31 Ų31106.7 Ų106.715%0.15360%0.595CS.*THydrogen-bonded Turntrans-73.2-27.8178.9-73.7-17781.500112.4V373 Y377 P385 L395V373-M398 HydrophobicContact CG2-CE 3.6Å; Y377-M398 HydrophobicContact CD2-CG 4.24Å; Y377-M398 HydrophobicContact CE1-CG 3.96Å; Y377-M398 HydrophobicContact CE2-CB 4.19Å; Y377-M398 HydrophobicContact CE2-CG 3.57Å; Y377-M398 WeakPolarHBondContact OH-CG 3.49Å; P385-M398 HydrophobicContact CG-CE 3.68Å; P385-M398 HydrophobicContact CG-SD 3.69Å; L395-M398 HydrophobicContact CD2-SD 3.4Å; L395-M398 WeakPolarHBondContact CD2-SD 3.41Å; L395-M398 WeakPolarHBondContact O-CB 3.34Å; L395-M398 PolarHBondContact O-N 2.95Å
399F50.1Low46.8Very low55 Ų55109.1 Ų109.124%0.24160%0.601CS.*SBendtrans-91.6123.7178.5-55.7-75.1000108.2S370 L395 M397 V401 P406S370-F399 WeakPolarHBondContact O-CD1 3.43Å; S370-F399 WeakPolarHBondContact O-CE1 3.5Å; L395-F399 HydrophobicContact CB-CE2 4.47Å; L395-F399 WeakPolarHBondContact O-CD2 3.35Å; L395-F399 WeakPolarHBondContact O-CE2 3.21Å; M397-F399 VanDerWaalsContact C-N 3.31Å; F399-V401 PolarHBondContact O-N 2.77Å; F399-V401 VanDerWaalsContact O-N 3.13Å; F399-P406 HydrophobicContact CE1-CG 4.22Å; F399-P406 HydrophobicContact CZ-CG 4.41Å
400D41.5Very low45.6Very low143 Ų143116 Ų11677%0.76563%0.625SS**  trans-51.1122.7171-1473.7000108.1G402 K403D400-G402 VanDerWaalsContact C-N 3.28Å; D400-G402 PolarHBondContact O-N 2.94Å; D400-K403 PolarHBondContact O-N 2.89Å
401V35.8Very low44.9Very low148 Ų148117.3 Ų117.390%0.89762%0.618SS**THydrogen-bonded Turntrans-60.489-172.4-179.90000108.3F399F399-V401 PolarHBondContact O-N 2.77Å; F399-V401 VanDerWaalsContact O-N 3.13Å
402G41.5Very low43.9Very low78 Ų78114.3 Ų114.380%0.80462%0.615SS**THydrogen-bonded Turntrans152.7-12.9-174.200000116.5D400D400-G402 VanDerWaalsContact C-N 3.28Å; D400-G402 PolarHBondContact O-N 2.94Å
403K44.4Very low42.8Very low157 Ų157119 Ų11968%0.68363%0.633SS**SBendtrans-112.6125.3173.6-68.7-174.6-179.6179.60111.3D400D400-K403 PolarHBondContact O-N 2.89Å
404T35.5Very low41.5Very low125 Ų125120.6 Ų120.677%0.76764%0.644SS**  trans-42.6143.7179.543.60000113.4
405Q37.1Very low40.8Very low175 Ų175123.2 Ų123.282%0.81866%0.659SS**  trans-45.9132.9167.2-83.4-177.1-9.700109.7
406P40.9Very low39.9Very low43 Ų43126 Ų12628%0.27967%0.67SS.*  trans-60.9138.7179.824.7-31.8000108.7F399 L408F399-P406 HydrophobicContact CE1-CG 4.22Å; F399-P406 HydrophobicContact CZ-CG 4.41Å; P406-L408 PolarHBondContact O-N 3.04Å; P406-L408 VanDerWaalsContact O-N 3.15Å
407P36.7Very low39.1Very low109 Ų109131.6 Ų131.671%0.70869%0.691SS**  trans-57.6126.7171.223.6-30.2000108.1M409P407-M409 PolarHBondContact O-N 2.78Å
408L40.9Very low38.7Very low153 Ų153132.4 Ų132.480%0.80170%0.697SS**  trans-45.4132.7157.2-74.8162.9000106.4P406 K410P406-L408 PolarHBondContact O-N 3.04Å; P406-L408 VanDerWaalsContact O-N 3.15Å; L408-K410 PolarHBondContact O-N 3.37Å
409M38.3Very low38.3Very low129 Ų129137.7 Ų137.764%0.63573%0.726SS**  trans-43.788.5-178.3-88-170.2-174.900110.8P407P407-M409 PolarHBondContact O-N 2.78Å
410K36.6Very low37.6Very low190 Ų190142.3 Ų142.383%0.82675%0.753SS**  trans-96103.3170.6-90.4-172.9175-178.60104L408 A412L408-K410 PolarHBondContact O-N 3.37Å; K410-A412 PolarHBondContact O-N 3.5Å
411R38.7Very low37.4Very low203 Ų203142.2 Ų142.277%0.76675%0.752SS**  trans30.783.4159.6-68.3-179.4175177.7-2.1114.4F413R411-F413 PolarHBondContact O-N 2.96Å; R411-F413 VanDerWaalsContact O-N 3.09Å
412A35.9Very low37.5Very low96 Ų96141.9 Ų141.979%0.79374%0.743SS**THydrogen-bonded Turntrans-67.43.4161.100000113.2K410K410-A412 PolarHBondContact O-N 3.5Å
413F36.3Very low37.2Very low160 Ų160146.1 Ų146.170%0.70274%0.739SS**THydrogen-bonded Turntrans-134.139.3-178.6-60.5-72.7000113R411 T415R411-F413 PolarHBondContact O-N 2.96Å; R411-F413 VanDerWaalsContact O-N 3.09Å; F413-T415 PolarHBondContact O-N 3.47Å
414S29.7Very low36.7Very low62 Ų62145.4 Ų145.443%0.43474%0.743SS.*  trans-8497.3163.8-158.90000109E416S414-E416 VanDerWaalsContact C-N 3.28Å; S414-E416 PolarHBondContact O-N 2.89Å; S414-E416 VanDerWaalsContact O-N 3.09Å
415T39.8Very low36.8Very low140 Ų140146.9 Ų146.986%0.85974%0.741SS**  trans-7386.4160.450.10000108.1F413F413-T415 PolarHBondContact O-N 3.47Å
416E35.4Very low36.8Very low166 Ų166144.6 Ų144.678%0.77673%0.734SS**  trans-123118.9163.1-74.3-172.9168.800108.3S414S414-E416 VanDerWaalsContact C-N 3.28Å; S414-E416 PolarHBondContact O-N 2.89Å; S414-E416 VanDerWaalsContact O-N 3.09Å
417K32.6Very low36.4Very low284 Ų284153.8 Ų153.8100%1.23578%0.776SS**  trans-78.70163.3-90.9-175.7172.7-178.80109.4

Retrieved 417 of 417 residues in 953.3 ms (Link to these results)

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