A0A090KJ16_HUMAN Loading...

MHC class II antigen

AlphaFold DB (A0A5H2UG79), UniProt , Accession A0A090KJ16, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB1, Length 89 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
1R83.1Confident95.6Very high292 Ų292104.5 Ų104.5100%1.10246%0.457SS*.  01330179.9177.2179.5-178.40.5107.6
2F91.1Very high95.6Very high130 Ų130101.7 Ų101.757%0.5745%0.445SS*.  trans-85141.2177.2169.4-90.1000110.8W4 Y27 N28F2-W4 HydrophobicContact CE1-CB 3.81Å; F2-W4 HydrophobicContact CZ-CB 3.88Å; F2-Y27 AromaticContact CE2-CD1 3.47Å; F2-Y27 HydrophobicContact CE2-CD1 3.47Å; F2-Y27 VanDerWaalsContact CE2-CD1 3.47Å; F2-Y27 AromaticContact CE2-CE1 3.74Å; F2-Y27 HydrophobicContact CE2-CE1 3.74Å; F2-Y27 AromaticContact CZ-CD1 3.69Å; F2-Y27 HydrophobicContact CZ-CD1 3.69Å; F2-Y27 AromaticContact CZ-CE1 3.6Å; F2-Y27 HydrophobicContact CZ-CE1 3.6Å; F2-N28 WeakPolarHBondContact CA-OD1 3.35Å
3L96.3Very high95.6Very high93 Ų93101 Ų10149%0.48744%0.442SS..  trans-135.3127.7172.4178.766.4000109.7N28L3-N28 PolarHBondContact N-OD1 3.46Å; L3-N28 PolarHBondContact O-N 3.39Å
4W96Very high95.4Very high108 Ų108103.7 Ų103.741%0.40946%0.464SS..EExtended strand (participates in β ladder)trans-113130.3167.7-175.984.2000109.1F2 P6 Y25 F26 Y27F2-W4 HydrophobicContact CE1-CB 3.81Å; F2-W4 HydrophobicContact CZ-CB 3.88Å; W4-P6 HydrophobicContact CE3-CG 4.5Å; W4-P6 HydrophobicContact CH2-CB 4.19Å; W4-P6 HydrophobicContact CH2-CG 4.11Å; W4-P6 HydrophobicContact CZ3-CB 4.32Å; W4-P6 HydrophobicContact CZ3-CG 3.77Å; W4-Y25 AromaticContact CH2-CD1 3.96Å; W4-Y25 HydrophobicContact CH2-CD1 3.96Å; W4-Y25 AromaticContact CH2-CE1 3.97Å; W4-Y25 HydrophobicContact CH2-CE1 3.97Å; W4-Y25 AromaticContact CZ2-CD1 3.38Å; W4-Y25 HydrophobicContact CZ2-CD1 3.38Å; W4-Y25 AromaticContact CZ2-CE1 3.77Å; W4-Y25 HydrophobicContact CZ2-CE1 3.77Å; W4-F26 WeakPolarHBondContact CA-O 3.24Å; W4-Y27 AromaticContact CD1-CD1 3.82Å; W4-Y27 AromaticContact CD1-CD2 3.99Å; W4-Y27 AromaticContact CD1-CE1 3.44Å; W4-Y27 VanDerWaalsContact CD1-CE1 3.44Å; W4-Y27 AromaticContact CD1-CE2 3.62Å; W4-Y27 AromaticContact CD1-CZ 3.33Å; W4-Y27 HydrophobicContact CG-CE1 4.4Å; W4-Y27 AromaticContact NE1-CE2 3.67Å; W4-Y27 AromaticContact NE1-CZ 3.58Å
5Q97.8Very high95Very high83 Ų8398.8 Ų98.839%0.38845%0.453SS..EExtended strand (participates in β ladder)trans-138.3122.5-176.8177172.486.200111.3K7 F26Q5-K7 HydrophobicContact CG-CG 4.35Å; Q5-F26 HydrophobicContact CB-CB 4.4Å; Q5-F26 PolarHBondContact N-O 3.42Å; Q5-F26 WeakPolarHBondContact O-CD2 3.32Å; Q5-F26 PolarHBondContact O-N 2.92Å
6P97.2Very high95Very high53 Ų5396.4 Ų96.434%0.34445%0.448SS..EExtended strand (participates in β ladder)trans-87.9145.8165.333.8-30.3000110.8W4 R24 Y25W4-P6 HydrophobicContact CE3-CG 4.5Å; W4-P6 HydrophobicContact CH2-CB 4.19Å; W4-P6 HydrophobicContact CH2-CG 4.11Å; W4-P6 HydrophobicContact CZ3-CB 4.32Å; W4-P6 HydrophobicContact CZ3-CG 3.77Å; P6-R24 CarbonylContact C-O 3.56Å; P6-R24 WeakPolarHBondContact CA-O 3.41Å; P6-Y25 HydrophobicContact CB-CD1 4.14Å; P6-Y25 HydrophobicContact CB-CE1 4.05Å
7K98Very high94.9Very high88 Ų8899.5 Ų99.538%0.38346%0.463SS..EExtended strand (participates in β ladder)trans-131.3119.3171-65.7-168-179.8-1790110.2Q5 E9 D23 R24 F26Q5-K7 HydrophobicContact CG-CG 4.35Å; K7-E9 HydrophobicContact CB-CG 4.38Å; K7-D23 WeakPolarHBondContact O-CA 3.31Å; K7-R24 HydrophobicContact CB-CB 4.4Å; K7-R24 PolarHBondContact N-O 3.18Å; K7-R24 PolarHBondContact O-N 3.17Å; K7-F26 HydrophobicContact CB-CE2 4.09Å; K7-F26 HydrophobicContact CD-CD2 4.39Å; K7-F26 HydrophobicContact CD-CE2 3.7Å; K7-F26 HydrophobicContact CD-CZ 4.23Å; K7-F26 HydrophobicContact CG-CD2 4.21Å; K7-F26 HydrophobicContact CG-CE2 3.81Å
8R97.9Very high95Very high149 Ų149101.6 Ų101.656%0.56247%0.466SS*.EExtended strand (participates in β ladder)trans-105109.3172.7-75.2170.7-87.7143.1-6.3108.1F21 L22 D23R8-F21 HydrophobicContact CB-CE2 4.1Å; R8-F21 HydrophobicContact CB-CZ 4.48Å; R8-F21 HydrophobicContact CG-CE2 4.28Å; R8-F21 HydrophobicContact CG-CZ 4.15Å; R8-L22 CarbonylContact C-O 3.5Å; R8-L22 WeakPolarHBondContact CA-O 3.02Å; R8-D23 HydrophobicContact CG-CB 4.47Å; R8-D23 VanDerWaalsContact CG-OD1 3.22Å; R8-D23 WeakPolarHBondContact CG-OD1 3.5Å
9E98.4Very high95.2Very high47 Ų4796.6 Ų96.622%0.2244%0.444CS..EExtended strand (participates in β ladder)trans-114.4138.5-173.9-50.3174.8-153.500110.1K7 H11 F21 L22 R24K7-E9 HydrophobicContact CB-CG 4.38Å; E9-H11 IonicContact OE2-CE1 3.71Å; E9-H11 IonicContact OE2-NE2 2.92Å; E9-H11 PolarHBondContact OE2-NE2 3.33Å; E9-F21 WeakPolarHBondContact O-CA 3.39Å; E9-F21 WeakPolarHBondContact O-CD2 3.5Å; E9-L22 HydrophobicContact CB-CB 4.22Å; E9-L22 PolarHBondContact N-O 3.11Å; E9-L22 PolarHBondContact O-N 3.47Å; E9-R24 VanDerWaalsContact OE1-CD 3.3Å; E9-R24 WeakPolarHBondContact OE1-CD 3.04Å; E9-R24 IonicContact OE1-CZ 3.86Å; E9-R24 IonicContact OE1-NE 3.99Å; E9-R24 IonicContact OE1-NH1 2.91Å; E9-R24 PolarHBondContact OE1-NH1 2.91Å
10C98.1Very high95.4Very high35 Ų3595.3 Ų95.324%0.23644%0.435CS..EExtended strand (participates in β ladder)trans-119.5115.9173.1-63.70000108.6F12 C74C10-F12 HydrophobicContact CB-CD2 4.34Å; C10-F12 HydrophobicContact CB-CE2 3.44Å; C10-F12 VanDerWaalsContact CB-CE2 3.44Å; C10-F12 HydrophobicContact CB-CZ 3.58Å; C10-C74 HydrophobicContact CB-CB 3.63Å; C10-C74 WeakPolarHBondContact CB-SG 3.19Å; C10-C74 WeakPolarHBondContact SG-CA 3.36Å; C10-C74 WeakPolarHBondContact SG-CB 3.17Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 3.17Å
11H97.4Very high95.5Very high71 Ų7191.1 Ų91.133%0.32942%0.416SS..EExtended strand (participates in β ladder)trans-104116.3179.8-67.6-113000108.7E9 F13 V19 R20E9-H11 IonicContact OE2-CE1 3.71Å; E9-H11 IonicContact OE2-NE2 2.92Å; E9-H11 PolarHBondContact OE2-NE2 3.33Å; H11-F13 HydrophobicContact CB-CE2 4Å; H11-F13 HydrophobicContact CB-CZ 4.19Å; H11-V19 WeakPolarHBondContact O-CA 3.5Å; H11-R20 HydrophobicContact CB-CB 4.28Å; H11-R20 PolarHBondContact N-O 2.94Å; H11-R20 PolarHBondContact O-N 3.24Å
12F95.9Very high96.3Very high71 Ų7177.7 Ų77.731%0.31137%0.366SS..EExtended strand (participates in β ladder)trans-105.4127.4-174.5-62.9-83.1000110.3C10 G15 T16 V19 C74 Y78C10-F12 HydrophobicContact CB-CD2 4.34Å; C10-F12 HydrophobicContact CB-CE2 3.44Å; C10-F12 VanDerWaalsContact CB-CE2 3.44Å; C10-F12 HydrophobicContact CB-CZ 3.58Å; F12-G15 WeakPolarHBondContact CB-O 3.33Å; F12-T16 HydrophobicContact CD1-CG2 4.49Å; F12-V19 HydrophobicContact CD1-CB 4.48Å; F12-V19 HydrophobicContact CD1-CG1 4.02Å; F12-V19 HydrophobicContact CD1-CG2 3.74Å; F12-V19 HydrophobicContact CE1-CG1 3.8Å; F12-V19 HydrophobicContact CE1-CG2 4.02Å; F12-V19 HydrophobicContact CZ-CG1 4.48Å; F12-C74 HydrophobicContact CE1-CB 4.2Å; F12-C74 HydrophobicContact CZ-CB 3.98Å; F12-C74 WeakPolarHBondContact CZ-O 3.28Å; F12-Y78 HydrophobicContact CB-CE2 4.43Å; F12-Y78 AromaticContact CD1-CD2 3.62Å; F12-Y78 HydrophobicContact CD1-CD2 3.62Å; F12-Y78 HydrophobicContact CD1-CE2 4.23Å; F12-Y78 HydrophobicContact CD1-CG 4.04Å; F12-Y78 AromaticContact CD2-CD2 3.94Å; F12-Y78 HydrophobicContact CD2-CD2 3.94Å; F12-Y78 HydrophobicContact CD2-CE2 4.48Å; F12-Y78 AromaticContact CE1-CD2 3.7Å; F12-Y78 HydrophobicContact CE1-CD2 3.7Å; F12-Y78 AromaticContact CE1-CG 3.81Å; F12-Y78 HydrophobicContact CE1-CG 3.81Å; F12-Y78 AromaticContact CE2-CD2 3.98Å; F12-Y78 HydrophobicContact CE2-CD2 3.98Å; F12-Y78 AromaticContact CG-CD2 3.77Å; F12-Y78 HydrophobicContact CG-CD2 3.77Å; F12-Y78 HydrophobicContact CG-CE2 4.13Å; F12-Y78 AromaticContact CZ-CD2 3.88Å; F12-Y78 HydrophobicContact CZ-CD2 3.88Å; F12-Y78 HydrophobicContact CZ-CG 4.16Å
13F95.1Very high96.6Very high93 Ų9372.2 Ų72.241%0.40834%0.342SS..EExtended strand (participates in β ladder)trans-120.5127.2177.6-54.4-86.7000109.2H11 G15 R18 R20H11-F13 HydrophobicContact CB-CE2 4Å; H11-F13 HydrophobicContact CB-CZ 4.19Å; F13-G15 PolarHBondContact O-N 2.98Å; F13-R18 HydrophobicContact CB-CB 4.23Å; F13-R18 HydrophobicContact CD2-CB 4.41Å; F13-R18 HydrophobicContact CD2-CG 4.17Å; F13-R18 PolarHBondContact N-O 3.09Å; F13-R18 PolarHBondContact O-N 2.71Å; F13-R20 HydrophobicContact CE2-CB 4.42Å
14N92.7Very high96.7Very high139 Ų13970.2 Ų70.274%0.74333%0.328SS*.THydrogen-bonded Turntrans5054.8-175.5-60.1-20.3000112.2T16 E17N14-T16 PolarHBondContact O-N 3.31Å; N14-E17 HydrophobicContact CB-CB 4.28Å; N14-E17 WeakPolarHBondContact CB-OE2 3.44Å; N14-E17 PolarHBondContact ND2-OE2 3.06Å
15G89.6Confident96.8Very high30 Ų3066.8 Ų66.831%0.30932%0.315SS..THydrogen-bonded Turntrans71.8-122.1-171.500000110.7F12 F13F12-G15 WeakPolarHBondContact CB-O 3.33Å; F13-G15 PolarHBondContact O-N 2.98Å
16T94.8Very high96.9Very high60 Ų6063.8 Ų63.837%0.36830%0.301SS..THydrogen-bonded Turntrans-106.18.6-178.356.10000114F12 N14 R18 R75 Y78F12-T16 HydrophobicContact CD1-CG2 4.49Å; N14-T16 PolarHBondContact O-N 3.31Å; T16-R18 PolarHBondContact O-N 3.19Å; T16-R75 HydrophobicContact CG2-CG 4.49Å; T16-R75 PolarHBondContact O-NE 3.08Å; T16-Y78 HydrophobicContact CG2-CD1 3.32Å; T16-Y78 HydrophobicContact CG2-CE1 3.67Å; T16-Y78 HydrophobicContact CG2-CG 3.88Å
17E94.4Very high96.8Very high149 Ų14964.3 Ų64.370%0.69630%0.297SS*.THydrogen-bonded Turntrans-56-51.1178.9-174.8-174.8-179.700110.8N14N14-E17 HydrophobicContact CB-CB 4.28Å; N14-E17 WeakPolarHBondContact CB-OE2 3.44Å; N14-E17 PolarHBondContact ND2-OE2 3.06Å
18R97.1Very high96.6Very high137 Ų13764.2 Ų64.252%0.51730%0.3SS..EExtended strand (participates in β ladder)trans-125.2127.8170.1-178.4-179.6176.7-171.6-1.3109.9F13 T16 D38F13-R18 HydrophobicContact CB-CB 4.23Å; F13-R18 HydrophobicContact CD2-CB 4.41Å; F13-R18 HydrophobicContact CD2-CG 4.17Å; F13-R18 PolarHBondContact N-O 3.09Å; F13-R18 PolarHBondContact O-N 2.71Å; T16-R18 PolarHBondContact O-N 3.19Å; R18-D38 IonicContact CZ-OD2 2.75Å; R18-D38 IonicContact NH2-OD2 3.71Å; R18-D38 PolarHBondContact NH2-OD2 2.92Å
19V98.2Very high96.5Very high8 Ų865.7 Ų65.75%0.04831%0.314CS..EExtended strand (participates in β ladder)trans-127.9129.9179.1-176.10000108.3H11 F12 V70 C74 R75H11-V19 WeakPolarHBondContact O-CA 3.5Å; F12-V19 HydrophobicContact CD1-CB 4.48Å; F12-V19 HydrophobicContact CD1-CG1 4.02Å; F12-V19 HydrophobicContact CD1-CG2 3.74Å; F12-V19 HydrophobicContact CE1-CG1 3.8Å; F12-V19 HydrophobicContact CE1-CG2 4.02Å; F12-V19 HydrophobicContact CZ-CG1 4.48Å; V19-V70 HydrophobicContact CB-CG1 3.71Å; V19-V70 HydrophobicContact CG1-CG1 3.86Å; V19-V70 WeakPolarHBondContact O-CG1 3.42Å; V19-C74 HydrophobicContact CG1-CB 3.54Å; V19-R75 HydrophobicContact CG2-CG 3.94Å
20R98.4Very high96.4Very high69 Ų6969 Ų6926%0.2633%0.329SS..EExtended strand (participates in β ladder)trans-115.8127.5174.8179.4-179178.2-163.24.2109.9H11 F13 D36 S37H11-R20 HydrophobicContact CB-CB 4.28Å; H11-R20 PolarHBondContact N-O 2.94Å; H11-R20 PolarHBondContact O-N 3.24Å; F13-R20 HydrophobicContact CE2-CB 4.42Å; R20-D36 IonicContact CZ-OD1 3.72Å; R20-D36 IonicContact CZ-OD2 3.84Å; R20-D36 IonicContact NE-OD1 3.31Å; R20-D36 PolarHBondContact NE-OD1 2.78Å; R20-D36 IonicContact NE-OD2 2.61Å; R20-D36 PolarHBondContact NE-OD2 2.95Å; R20-D36 IonicContact NH2-OD1 3.22Å; R20-D36 IonicContact NH2-OD2 3Å; R20-D36 PolarHBondContact NH2-OD2 2.82Å; R20-S37 WeakPolarHBondContact CA-OG 3.39Å
21F98.8Very high96.4Very high9 Ų968.4 Ų68.44%0.03932%0.323CS..EExtended strand (participates in β ladder)trans-102.8131.5175.5176-111.9000110.1R8 E9 D23 F35 S37 A69 V70 Y73 C74R8-F21 HydrophobicContact CB-CE2 4.1Å; R8-F21 HydrophobicContact CB-CZ 4.48Å; R8-F21 HydrophobicContact CG-CE2 4.28Å; R8-F21 HydrophobicContact CG-CZ 4.15Å; E9-F21 WeakPolarHBondContact O-CA 3.39Å; E9-F21 WeakPolarHBondContact O-CD2 3.5Å; F21-D23 HydrophobicContact CE1-CB 3.88Å; F21-D23 HydrophobicContact CZ-CB 3.89Å; F21-F35 AromaticContact CD1-CD1 3.9Å; F21-F35 HydrophobicContact CD1-CD1 3.9Å; F21-F35 HydrophobicContact CD1-CE1 4.05Å; F21-F35 HydrophobicContact CE1-CD1 4.17Å; F21-S37 PolarHBondContact N-OG 3.27Å; F21-S37 PolarHBondContact O-N 2.93Å; F21-S37 PolarHBondContact O-OG 3.01Å; F21-A69 HydrophobicContact CD1-CB 3.58Å; F21-A69 HydrophobicContact CD2-CB 4.29Å; F21-A69 HydrophobicContact CE1-CB 3.52Å; F21-A69 HydrophobicContact CE2-CB 4.23Å; F21-A69 HydrophobicContact CG-CB 3.97Å; F21-A69 HydrophobicContact CZ-CB 3.85Å; F21-V70 HydrophobicContact CB-CG2 3.96Å; F21-Y73 HydrophobicContact CE2-CD1 4.15Å; F21-C74 VanDerWaalsContact CD2-SG 3.58Å
22L98.7Very high96.5Very high9 Ų965 Ų655%0.04731%0.308CS..EExtended strand (participates in β ladder)trans-121.1129.7171.9-63.4171.1000109.2R8 E9 R24 R34 F35 D36R8-L22 CarbonylContact C-O 3.5Å; R8-L22 WeakPolarHBondContact CA-O 3.02Å; E9-L22 HydrophobicContact CB-CB 4.22Å; E9-L22 PolarHBondContact N-O 3.11Å; E9-L22 PolarHBondContact O-N 3.47Å; L22-R24 HydrophobicContact CB-CG 4.15Å; L22-R34 HydrophobicContact CD2-CG 4.46Å; L22-F35 WeakPolarHBondContact CA-O 3.49Å; L22-D36 HydrophobicContact CD2-CB 3.81Å
23D98.5Very high96.6Very high15 Ų1561.7 Ų61.78%0.0829%0.293CS..EExtended strand (participates in β ladder)trans-117.4113.1167.4-169.622.7000109K7 R8 F21 Y25 R34 F35K7-D23 WeakPolarHBondContact O-CA 3.31Å; R8-D23 HydrophobicContact CG-CB 4.47Å; R8-D23 VanDerWaalsContact CG-OD1 3.22Å; R8-D23 WeakPolarHBondContact CG-OD1 3.5Å; F21-D23 HydrophobicContact CE1-CB 3.88Å; F21-D23 HydrophobicContact CZ-CB 3.89Å; D23-Y25 HydrophobicContact CB-CE2 4.47Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.13Å; D23-Y25 PolarHBondContact OD2-OH 3.42Å; D23-R34 CarbonylContact O-C 3.47Å; D23-R34 VanDerWaalsContact O-CA 3.23Å; D23-R34 WeakPolarHBondContact O-CA 3.22Å; D23-F35 HydrophobicContact CB-CB 4.12Å; D23-F35 PolarHBondContact N-O 3.25Å; D23-F35 PolarHBondContact O-N 3Å
24R98.6Very high96.8Very high51 Ų5160.6 Ų60.619%0.19229%0.286CS..EExtended strand (participates in β ladder)trans-126.6136.1-165.3-58.7172.670.4-1664.1110.6P6 K7 E9 L22 F26 E31 R34P6-R24 CarbonylContact C-O 3.56Å; P6-R24 WeakPolarHBondContact CA-O 3.41Å; K7-R24 HydrophobicContact CB-CB 4.4Å; K7-R24 PolarHBondContact N-O 3.18Å; K7-R24 PolarHBondContact O-N 3.17Å; E9-R24 VanDerWaalsContact OE1-CD 3.3Å; E9-R24 WeakPolarHBondContact OE1-CD 3.04Å; E9-R24 IonicContact OE1-CZ 3.86Å; E9-R24 IonicContact OE1-NE 3.99Å; E9-R24 IonicContact OE1-NH1 2.91Å; E9-R24 PolarHBondContact OE1-NH1 2.91Å; L22-R24 HydrophobicContact CB-CG 4.15Å; R24-F26 HydrophobicContact CB-CD2 4.45Å; R24-F26 HydrophobicContact CB-CE2 3.62Å; R24-F26 HydrophobicContact CB-CZ 4.18Å; R24-E31 WeakPolarHBondContact CG-OE1 3.44Å; R24-E31 IonicContact CZ-OE1 3.65Å; R24-E31 IonicContact CZ-OE2 3.52Å; R24-E31 VanDerWaalsContact NE-CD 3.31Å; R24-E31 IonicContact NE-OE1 2.8Å; R24-E31 PolarHBondContact NE-OE1 3.35Å; R24-E31 IonicContact NE-OE2 3.45Å; R24-E31 PolarHBondContact NE-OE2 3.47Å; R24-E31 IonicContact NH2-OE1 3.63Å; R24-E31 IonicContact NH2-OE2 2.73Å; R24-E31 PolarHBondContact NH2-OE2 3.27Å; R24-R34 HydrophobicContact CG-CB 4.28Å; R24-R34 HydrophobicContact CG-CG 3.93Å
25Y98.2Very high97.1Very high36 Ų3654 Ų5414%0.14125%0.251CS..EExtended strand (participates in β ladder)trans-119.3128.5-176.2-63.6-92.9000110.3W4 P6 D23 E31 S32 V33 F42 W56W4-Y25 AromaticContact CH2-CD1 3.96Å; W4-Y25 HydrophobicContact CH2-CD1 3.96Å; W4-Y25 AromaticContact CH2-CE1 3.97Å; W4-Y25 HydrophobicContact CH2-CE1 3.97Å; W4-Y25 AromaticContact CZ2-CD1 3.38Å; W4-Y25 HydrophobicContact CZ2-CD1 3.38Å; W4-Y25 AromaticContact CZ2-CE1 3.77Å; W4-Y25 HydrophobicContact CZ2-CE1 3.77Å; P6-Y25 HydrophobicContact CB-CD1 4.14Å; P6-Y25 HydrophobicContact CB-CE1 4.05Å; D23-Y25 HydrophobicContact CB-CE2 4.47Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.13Å; D23-Y25 PolarHBondContact OD2-OH 3.42Å; Y25-E31 CarbonylContact O-C 3.57Å; Y25-E31 WeakPolarHBondContact O-CA 3.3Å; Y25-S32 PolarHBondContact O-N 2.73Å; Y25-S32 PolarHBondContact O-OG 3.45Å; Y25-V33 HydrophobicContact CD2-CG1 3.79Å; Y25-V33 HydrophobicContact CG-CG1 3.95Å; Y25-V33 PolarHBondContact N-O 2.8Å; Y25-F42 HydrophobicContact CE2-CE1 4.27Å; Y25-W56 HydrophobicContact CD1-CH2 4.05Å; Y25-W56 AromaticContact CD2-CH2 3.74Å; Y25-W56 HydrophobicContact CD2-CH2 3.74Å; Y25-W56 AromaticContact CD2-CZ3 3.66Å; Y25-W56 HydrophobicContact CD2-CZ3 3.66Å; Y25-W56 AromaticContact CE1-CH2 3.84Å; Y25-W56 HydrophobicContact CE1-CH2 3.84Å; Y25-W56 AromaticContact CE2-CH2 3.56Å; Y25-W56 HydrophobicContact CE2-CH2 3.56Å; Y25-W56 AromaticContact CE2-CZ3 3.49Å; Y25-W56 HydrophobicContact CE2-CZ3 3.49Å; Y25-W56 VanDerWaalsContact CE2-CZ3 3.49Å; Y25-W56 AromaticContact CG-CH2 3.98Å; Y25-W56 HydrophobicContact CG-CH2 3.98Å; Y25-W56 HydrophobicContact CG-CZ3 4.33Å; Y25-W56 AromaticContact CZ-CH2 3.6Å; Y25-W56 AromaticContact CZ-CZ3 3.99Å
26F98.1Very high97.5Very high21 Ų2153.5 Ų53.59%0.09224%0.241CC..EExtended strand (participates in β ladder)trans-120.5133.7-174.5-62.3-98.3000111.7W4 Q5 K7 R24 E30 E31W4-F26 WeakPolarHBondContact CA-O 3.24Å; Q5-F26 HydrophobicContact CB-CB 4.4Å; Q5-F26 PolarHBondContact N-O 3.42Å; Q5-F26 WeakPolarHBondContact O-CD2 3.32Å; Q5-F26 PolarHBondContact O-N 2.92Å; K7-F26 HydrophobicContact CB-CE2 4.09Å; K7-F26 HydrophobicContact CD-CD2 4.39Å; K7-F26 HydrophobicContact CD-CE2 3.7Å; K7-F26 HydrophobicContact CD-CZ 4.23Å; K7-F26 HydrophobicContact CG-CD2 4.21Å; K7-F26 HydrophobicContact CG-CE2 3.81Å; R24-F26 HydrophobicContact CB-CD2 4.45Å; R24-F26 HydrophobicContact CB-CE2 3.62Å; R24-F26 HydrophobicContact CB-CZ 4.18Å; F26-E30 CarbonylContact C-O 3.51Å; F26-E30 VanDerWaalsContact CA-O 3.24Å; F26-E30 WeakPolarHBondContact CA-O 3.31Å; F26-E31 HydrophobicContact CD1-CB 3.82Å; F26-E31 HydrophobicContact CD1-CG 4.47Å; F26-E31 HydrophobicContact CE1-CB 3.63Å; F26-E31 HydrophobicContact CE1-CG 4.13Å; F26-E31 HydrophobicContact CZ-CB 4.27Å; F26-E31 HydrophobicContact CZ-CG 4.28Å
27Y96Very high97.7Very high63 Ų6351.9 Ų51.925%0.24723%0.232CC..EExtended strand (participates in β ladder)trans-112.4113.8168.7-78.9-86.8000109.2F2 W4 Q29 E30 S32 L48F2-Y27 AromaticContact CE2-CD1 3.47Å; F2-Y27 HydrophobicContact CE2-CD1 3.47Å; F2-Y27 VanDerWaalsContact CE2-CD1 3.47Å; F2-Y27 AromaticContact CE2-CE1 3.74Å; F2-Y27 HydrophobicContact CE2-CE1 3.74Å; F2-Y27 AromaticContact CZ-CD1 3.69Å; F2-Y27 HydrophobicContact CZ-CD1 3.69Å; F2-Y27 AromaticContact CZ-CE1 3.6Å; F2-Y27 HydrophobicContact CZ-CE1 3.6Å; W4-Y27 AromaticContact CD1-CD1 3.82Å; W4-Y27 AromaticContact CD1-CD2 3.99Å; W4-Y27 AromaticContact CD1-CE1 3.44Å; W4-Y27 VanDerWaalsContact CD1-CE1 3.44Å; W4-Y27 AromaticContact CD1-CE2 3.62Å; W4-Y27 AromaticContact CD1-CZ 3.33Å; W4-Y27 HydrophobicContact CG-CE1 4.4Å; W4-Y27 AromaticContact NE1-CE2 3.67Å; W4-Y27 AromaticContact NE1-CZ 3.58Å; Y27-Q29 PolarHBondContact O-N 2.04Å; Y27-Q29 VanDerWaalsContact O-N 3.16Å; Y27-E30 PolarHBondContact N-O 2.97Å; Y27-E30 WeakPolarHBondContact O-CB 3.35Å; Y27-E30 PolarHBondContact O-N 3.06Å; Y27-S32 WeakPolarHBondContact CD2-OG 3.35Å; Y27-L48 HydrophobicContact CD1-CD2 4.22Å; Y27-L48 HydrophobicContact CD2-CD2 3.55Å; Y27-L48 HydrophobicContact CD2-CG 4.47Å; Y27-L48 HydrophobicContact CE2-CD2 4Å; Y27-L48 HydrophobicContact CG-CD2 3.66Å
28N94.2Very high97.9Very high86 Ų8648.8 Ų48.846%0.4622%0.221SC..THydrogen-bonded Turntrans48.842-179.8-62-37.8000114.4F2 L3 E30F2-N28 WeakPolarHBondContact CA-OD1 3.35Å; L3-N28 PolarHBondContact N-OD1 3.46Å; L3-N28 PolarHBondContact O-N 3.39Å; N28-E30 VanDerWaalsContact C-N 3.28Å; N28-E30 PolarHBondContact O-N 3.36Å
29Q94.6Very high97.9Very high181 Ų18146.3 Ų46.385%0.84622%0.22SC*.THydrogen-bonded Turntrans80-8.1-177-47.6169.246.900115.5Y27Y27-Q29 PolarHBondContact O-N 2.04Å; Y27-Q29 VanDerWaalsContact O-N 3.16Å
30E97.4Very high97.9Very high115 Ų11546.5 Ų46.554%0.53722%0.224SC..EExtended strand (participates in β ladder)trans-87122.2172.9-174.3178.2165.300109.8F26 Y27 N28 S32 T46F26-E30 CarbonylContact C-O 3.51Å; F26-E30 VanDerWaalsContact CA-O 3.24Å; F26-E30 WeakPolarHBondContact CA-O 3.31Å; Y27-E30 PolarHBondContact N-O 2.97Å; Y27-E30 WeakPolarHBondContact O-CB 3.35Å; Y27-E30 PolarHBondContact O-N 3.06Å; N28-E30 VanDerWaalsContact C-N 3.28Å; N28-E30 PolarHBondContact O-N 3.36Å; E30-S32 PolarHBondContact O-N 2.91Å; E30-T46 HydrophobicContact CG-CG2 3.84Å; E30-T46 WeakPolarHBondContact OE1-CB 3.24Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.45Å
31E98.4Very high97.9Very high23 Ų2345.9 Ų45.911%0.10722%0.224CC..EExtended strand (participates in β ladder)trans-72.7120.1174.3-173.6178.3-171.300109.5R24 Y25 F26 R34 V45 T46R24-E31 WeakPolarHBondContact CG-OE1 3.44Å; R24-E31 IonicContact CZ-OE1 3.65Å; R24-E31 IonicContact CZ-OE2 3.52Å; R24-E31 VanDerWaalsContact NE-CD 3.31Å; R24-E31 IonicContact NE-OE1 2.8Å; R24-E31 PolarHBondContact NE-OE1 3.35Å; R24-E31 IonicContact NE-OE2 3.45Å; R24-E31 PolarHBondContact NE-OE2 3.47Å; R24-E31 IonicContact NH2-OE1 3.63Å; R24-E31 IonicContact NH2-OE2 2.73Å; R24-E31 PolarHBondContact NH2-OE2 3.27Å; Y25-E31 CarbonylContact O-C 3.57Å; Y25-E31 WeakPolarHBondContact O-CA 3.3Å; F26-E31 HydrophobicContact CD1-CB 3.82Å; F26-E31 HydrophobicContact CD1-CG 4.47Å; F26-E31 HydrophobicContact CE1-CB 3.63Å; F26-E31 HydrophobicContact CE1-CG 4.13Å; F26-E31 HydrophobicContact CZ-CB 4.27Å; F26-E31 HydrophobicContact CZ-CG 4.28Å; E31-R34 WeakPolarHBondContact OE1-CB 3.4Å; E31-R34 WeakPolarHBondContact OE1-CD 3.41Å; E31-R34 IonicContact OE1-CZ 3.11Å; E31-R34 VanDerWaalsContact OE1-CZ 3.31Å; E31-R34 IonicContact OE1-NE 3.49Å; E31-R34 PolarHBondContact OE1-NE 3.25Å; E31-R34 IonicContact OE1-NH2 2.62Å; E31-R34 PolarHBondContact OE1-NH2 3.49Å; E31-R34 IonicContact OE2-CZ 3.93Å; E31-R34 IonicContact OE2-NH2 2.83Å; E31-R34 PolarHBondContact OE2-NH2 2.9Å; E31-V45 HydrophobicContact CB-CG1 4.28Å; E31-V45 HydrophobicContact CG-CB 4.27Å; E31-V45 HydrophobicContact CG-CG1 4.38Å; E31-V45 HydrophobicContact CG-CG2 3.95Å; E31-V45 WeakPolarHBondContact O-CB 3.37Å; E31-V45 WeakPolarHBondContact O-CG1 3.45Å; E31-T46 WeakPolarHBondContact O-CG2 3.46Å
32S98.2Very high97.9Very high1 Ų145.7 Ų45.71%0.00722%0.223CC..EExtended strand (participates in β ladder)trans-96-42.5-177.661.70000112.9Y25 Y27 E30 V45 T46 G49Y25-S32 PolarHBondContact O-N 2.73Å; Y25-S32 PolarHBondContact O-OG 3.45Å; Y27-S32 WeakPolarHBondContact CD2-OG 3.35Å; E30-S32 PolarHBondContact O-N 2.91Å; S32-V45 PolarHBondContact O-N 3.03Å; S32-T46 WeakPolarHBondContact CA-OG1 3.48Å; S32-T46 PolarHBondContact O-N 3.39Å; S32-G49 WeakPolarHBondContact O-CA 3.22Å
33V98.6Very high97.9Very high0 Ų052.4 Ų52.40%025%0.248CC..EExtended strand (participates in β ladder)trans-146.3147.6-176.759.10000110.6Y25 F42 R43 D52 A53 W56Y25-V33 HydrophobicContact CD2-CG1 3.79Å; Y25-V33 HydrophobicContact CG-CG1 3.95Å; Y25-V33 PolarHBondContact N-O 2.8Å; V33-F42 HydrophobicContact CG2-CB 4.2Å; V33-F42 HydrophobicContact CG2-CD1 4.28Å; V33-R43 WeakPolarHBondContact CA-O 3.4Å; V33-D52 HydrophobicContact CG1-CB 4.19Å; V33-A53 HydrophobicContact CG2-CB 3.99Å; V33-W56 HydrophobicContact CB-CZ3 4.45Å; V33-W56 HydrophobicContact CG1-CE3 4.49Å; V33-W56 HydrophobicContact CG1-CH2 3.98Å; V33-W56 HydrophobicContact CG1-CZ3 3.56Å; V33-W56 HydrophobicContact CG2-CE3 4.19Å; V33-W56 HydrophobicContact CG2-CZ3 3.97Å
34R98.7Very high97.9Very high71 Ų7153.8 Ų53.827%0.26826%0.261SS..EExtended strand (participates in β ladder)trans-144.4136.9-179.1167173.318.4171.9-8.1112.3L22 D23 R24 E31 F42 R43 V45L22-R34 HydrophobicContact CD2-CG 4.46Å; D23-R34 CarbonylContact O-C 3.47Å; D23-R34 VanDerWaalsContact O-CA 3.23Å; D23-R34 WeakPolarHBondContact O-CA 3.22Å; R24-R34 HydrophobicContact CG-CB 4.28Å; R24-R34 HydrophobicContact CG-CG 3.93Å; E31-R34 WeakPolarHBondContact OE1-CB 3.4Å; E31-R34 WeakPolarHBondContact OE1-CD 3.41Å; E31-R34 IonicContact OE1-CZ 3.11Å; E31-R34 VanDerWaalsContact OE1-CZ 3.31Å; E31-R34 IonicContact OE1-NE 3.49Å; E31-R34 PolarHBondContact OE1-NE 3.25Å; E31-R34 IonicContact OE1-NH2 2.62Å; E31-R34 PolarHBondContact OE1-NH2 3.49Å; E31-R34 IonicContact OE2-CZ 3.93Å; E31-R34 IonicContact OE2-NH2 2.83Å; E31-R34 PolarHBondContact OE2-NH2 2.9Å; R34-F42 CarbonylContact O-C 3.56Å; R34-F42 WeakPolarHBondContact O-CA 3.46Å; R34-R43 PolarHBondContact N-O 3.05Å; R34-R43 PolarHBondContact O-N 2.95Å; R34-V45 HydrophobicContact CB-CG2 4.15Å
35F98.8Very high97.9Very high0 Ų054.5 Ų54.50%027%0.271CS..EExtended strand (participates in β ladder)trans-92.1138.6156.3-177.2-93000110F21 L22 D23 G40 F42 L63 A66 R67F21-F35 AromaticContact CD1-CD1 3.9Å; F21-F35 HydrophobicContact CD1-CD1 3.9Å; F21-F35 HydrophobicContact CD1-CE1 4.05Å; F21-F35 HydrophobicContact CE1-CD1 4.17Å; L22-F35 WeakPolarHBondContact CA-O 3.49Å; D23-F35 HydrophobicContact CB-CB 4.12Å; D23-F35 PolarHBondContact N-O 3.25Å; D23-F35 PolarHBondContact O-N 3Å; F35-G40 VanDerWaalsContact CE2-C 3.46Å; F35-F42 HydrophobicContact CB-CD1 3.63Å; F35-F42 HydrophobicContact CB-CD2 4.47Å; F35-F42 HydrophobicContact CB-CE1 3.54Å; F35-F42 HydrophobicContact CB-CE2 4.35Å; F35-F42 HydrophobicContact CB-CG 4.13Å; F35-F42 HydrophobicContact CB-CZ 3.91Å; F35-F42 AromaticContact CD2-CD2 3.95Å; F35-F42 HydrophobicContact CD2-CD2 3.95Å; F35-F42 AromaticContact CD2-CE2 3.9Å; F35-F42 HydrophobicContact CD2-CE2 3.9Å; F35-F42 HydrophobicContact CD2-CG 4.3Å; F35-F42 HydrophobicContact CD2-CZ 4.24Å; F35-F42 HydrophobicContact CG-CE1 4.43Å; F35-F42 HydrophobicContact CG-CE2 4.47Å; F35-F42 HydrophobicContact CG-CZ 4.35Å; F35-L63 HydrophobicContact CD2-CD1 4.49Å; F35-L63 HydrophobicContact CE2-CD1 4Å; F35-A66 HydrophobicContact CD1-CB 4Å; F35-A66 HydrophobicContact CD2-CB 3.71Å; F35-A66 HydrophobicContact CE1-CB 3.9Å; F35-A66 VanDerWaalsContact CE1-O 3.29Å; F35-A66 WeakPolarHBondContact CE1-O 3.47Å; F35-A66 HydrophobicContact CE2-CB 3.61Å; F35-A66 HydrophobicContact CG-CB 3.91Å; F35-A66 VanDerWaalsContact CZ-C 3.49Å; F35-A66 HydrophobicContact CZ-CB 3.72Å; F35-R67 HydrophobicContact CE2-CG 4.29Å; F35-R67 HydrophobicContact CZ-CB 4.49Å; F35-R67 HydrophobicContact CZ-CG 3.88Å
36D98.8Very high97.9Very high19 Ų1954.2 Ų54.210%0.10227%0.273CS..EExtended strand (participates in β ladder)trans-130.7122172.9-173.5-12.5000109.1R20 L22 D38 V39 G40R20-D36 IonicContact CZ-OD1 3.72Å; R20-D36 IonicContact CZ-OD2 3.84Å; R20-D36 IonicContact NE-OD1 3.31Å; R20-D36 PolarHBondContact NE-OD1 2.78Å; R20-D36 IonicContact NE-OD2 2.61Å; R20-D36 PolarHBondContact NE-OD2 2.95Å; R20-D36 IonicContact NH2-OD1 3.22Å; R20-D36 IonicContact NH2-OD2 3Å; R20-D36 PolarHBondContact NH2-OD2 2.82Å; L22-D36 HydrophobicContact CD2-CB 3.81Å; D36-D38 PolarHBondContact O-N 2.92Å; D36-D38 PolarHBondContact OD1-N 2.86Å; D36-D38 VanDerWaalsContact OD1-N 3.1Å; D36-V39 HydrophobicContact CB-CB 4.23Å; D36-V39 HydrophobicContact CB-CG2 3.99Å; D36-V39 CarbonylContact O-C 3.49Å; D36-V39 WeakPolarHBondContact O-CA 3.33Å; D36-V39 PolarHBondContact O-N 3.16Å; D36-G40 PolarHBondContact O-N 2.83Å
37S98.6Very high97.9Very high27 Ų2759 Ų5919%0.18930%0.296CS..THydrogen-bonded Turntrans-61.1-27-178.762.10000113.4R20 F21 V39 V70R20-S37 WeakPolarHBondContact CA-OG 3.39Å; F21-S37 PolarHBondContact N-OG 3.27Å; F21-S37 PolarHBondContact O-N 2.93Å; F21-S37 PolarHBondContact O-OG 3.01Å; S37-V39 PolarHBondContact O-N 2.85Å; S37-V70 VanDerWaalsContact CB-CG2 3.45Å
38D98.3Very high97.9Very high84 Ų8460.8 Ų60.845%0.44931%0.309SS..THydrogen-bonded Turntrans-72.6-19.4176.7-73.66.5000111.6R18 D36R18-D38 IonicContact CZ-OD2 2.75Å; R18-D38 IonicContact NH2-OD2 3.71Å; R18-D38 PolarHBondContact NH2-OD2 2.92Å; D36-D38 PolarHBondContact O-N 2.92Å; D36-D38 PolarHBondContact OD1-N 2.86Å; D36-D38 VanDerWaalsContact OD1-N 3.1Å
39V98.5Very high98.1Very high84 Ų8456.7 Ų56.751%0.50929%0.287SS..THydrogen-bonded Turntrans-99.6-37.9176-176.50000111.3D36 S37 E41D36-V39 HydrophobicContact CB-CB 4.23Å; D36-V39 HydrophobicContact CB-CG2 3.99Å; D36-V39 CarbonylContact O-C 3.49Å; D36-V39 WeakPolarHBondContact O-CA 3.33Å; D36-V39 PolarHBondContact O-N 3.16Å; S37-V39 PolarHBondContact O-N 2.85Å; V39-E41 HydrophobicContact CG1-CG 3.98Å
40G98.3Very high98.3Very high12 Ų1254 Ų5412%0.12427%0.269CS..THydrogen-bonded Turntrans84.215.8176.100000115.2F35 D36 L63 R67F35-G40 VanDerWaalsContact CE2-C 3.46Å; D36-G40 PolarHBondContact O-N 2.83Å; G40-L63 WeakPolarHBondContact O-CD1 3.39Å; G40-R67 VanDerWaalsContact O-CZ 3.3Å; G40-R67 PolarHBondContact O-NE 2.91Å; G40-R67 PolarHBondContact O-NH2 3.47Å
41E98.6Very high98.3Very high56 Ų5654.9 Ų54.926%0.26227%0.273SS..EExtended strand (participates in β ladder)trans-157.2165.7177.259.6178.7-159.800112.8V39 R43 N57 L63V39-E41 HydrophobicContact CG1-CG 3.98Å; E41-R43 IonicContact OE1-CZ 3.44Å; E41-R43 IonicContact OE1-NE 3.39Å; E41-R43 PolarHBondContact OE1-NE 3.38Å; E41-R43 IonicContact OE1-NH2 2.85Å; E41-R43 PolarHBondContact OE1-NH2 2.63Å; E41-N57 WeakPolarHBondContact CB-OD1 3.3Å; E41-L63 HydrophobicContact CB-CD1 4.06Å
42F98.7Very high98.3Very high5 Ų555.7 Ų55.72%0.02228%0.278CS..EExtended strand (participates in β ladder)trans-77.6134.5175.2-67.4-92.6000110.6Y25 V33 R34 F35 A53 W56 N57 I62 L63 A66Y25-F42 HydrophobicContact CE2-CE1 4.27Å; V33-F42 HydrophobicContact CG2-CB 4.2Å; V33-F42 HydrophobicContact CG2-CD1 4.28Å; R34-F42 CarbonylContact O-C 3.56Å; R34-F42 WeakPolarHBondContact O-CA 3.46Å; F35-F42 HydrophobicContact CB-CD1 3.63Å; F35-F42 HydrophobicContact CB-CD2 4.47Å; F35-F42 HydrophobicContact CB-CE1 3.54Å; F35-F42 HydrophobicContact CB-CE2 4.35Å; F35-F42 HydrophobicContact CB-CG 4.13Å; F35-F42 HydrophobicContact CB-CZ 3.91Å; F35-F42 AromaticContact CD2-CD2 3.95Å; F35-F42 HydrophobicContact CD2-CD2 3.95Å; F35-F42 AromaticContact CD2-CE2 3.9Å; F35-F42 HydrophobicContact CD2-CE2 3.9Å; F35-F42 HydrophobicContact CD2-CG 4.3Å; F35-F42 HydrophobicContact CD2-CZ 4.24Å; F35-F42 HydrophobicContact CG-CE1 4.43Å; F35-F42 HydrophobicContact CG-CE2 4.47Å; F35-F42 HydrophobicContact CG-CZ 4.35Å; F42-A53 HydrophobicContact CB-CB 4.31Å; F42-W56 HydrophobicContact CB-CE3 4.41Å; F42-W56 HydrophobicContact CD1-CD2 4.37Å; F42-W56 AromaticContact CD1-CE3 3.29Å; F42-W56 HydrophobicContact CD1-CE3 3.29Å; F42-W56 AromaticContact CD1-CZ3 3.73Å; F42-W56 HydrophobicContact CD1-CZ3 3.73Å; F42-W56 HydrophobicContact CD2-CB 3.74Å; F42-W56 HydrophobicContact CD2-CE3 4.36Å; F42-W56 HydrophobicContact CE1-CD2 4.33Å; F42-W56 AromaticContact CE1-CE3 3.42Å; F42-W56 HydrophobicContact CE1-CE3 3.42Å; F42-W56 VanDerWaalsContact CE1-CE3 3.42Å; F42-W56 AromaticContact CE1-CZ3 3.73Å; F42-W56 HydrophobicContact CE1-CZ3 3.73Å; F42-W56 HydrophobicContact CE2-CB 4Å; F42-W56 HydrophobicContact CE2-CE3 4.5Å; F42-W56 HydrophobicContact CG-CB 4.11Å; F42-W56 AromaticContact CG-CE3 3.78Å; F42-W56 HydrophobicContact CG-CE3 3.78Å; F42-W56 HydrophobicContact CZ-CE3 4.07Å; F42-N57 PolarHBondContact N-OD1 3.46Å; F42-N57 PolarHBondContact O-ND2 2.76Å; F42-I62 HydrophobicContact CE2-CG2 4.07Å; F42-I62 HydrophobicContact CZ-CG2 4.33Å; F42-L63 HydrophobicContact CD2-CD1 4.41Å; F42-A66 HydrophobicContact CE2-CB 4.13Å; F42-A66 HydrophobicContact CZ-CB 4.16Å
43R98.7Very high98.3Very high151 Ų15156 Ų5657%0.5728%0.281SS*.EExtended strand (participates in β ladder)trans-125.9131.4175.4-70-67.2-175151.7-2.7109.8V33 R34 E41 V45V33-R43 WeakPolarHBondContact CA-O 3.4Å; R34-R43 PolarHBondContact N-O 3.05Å; R34-R43 PolarHBondContact O-N 2.95Å; E41-R43 IonicContact OE1-CZ 3.44Å; E41-R43 IonicContact OE1-NE 3.39Å; E41-R43 PolarHBondContact OE1-NE 3.38Å; E41-R43 IonicContact OE1-NH2 2.85Å; E41-R43 PolarHBondContact OE1-NH2 2.63Å; R43-V45 PolarHBondContact O-N 3.16Å
44A98.4Very high98.3Very high44 Ų4461.8 Ų61.836%0.36431%0.308SS..EExtended strand (participates in β ladder)trans-65.3126.5168.800000108.9R50 A53A44-R50 HydrophobicContact CB-CB 4.42Å; A44-A53 HydrophobicContact CB-CB 4.24Å
45V98.3Very high98.3Very high65 Ų6564.2 Ų64.239%0.39432%0.318SS..SBendtrans-89-31.3173.2179.80000109.5E31 S32 R34 R43E31-V45 HydrophobicContact CB-CG1 4.28Å; E31-V45 HydrophobicContact CG-CB 4.27Å; E31-V45 HydrophobicContact CG-CG1 4.38Å; E31-V45 HydrophobicContact CG-CG2 3.95Å; E31-V45 WeakPolarHBondContact O-CB 3.37Å; E31-V45 WeakPolarHBondContact O-CG1 3.45Å; S32-V45 PolarHBondContact O-N 3.03Å; R34-V45 HydrophobicContact CB-CG2 4.15Å; R43-V45 PolarHBondContact O-N 3.16Å
46T97.9Very high98.3Very high31 Ų3166.3 Ų66.319%0.1933%0.326CS..SBendtrans-133.5167.9176.571.60000110.1E30 E31 S32 L48 G49E30-T46 HydrophobicContact CG-CG2 3.84Å; E30-T46 WeakPolarHBondContact OE1-CB 3.24Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.45Å; E31-T46 WeakPolarHBondContact O-CG2 3.46Å; S32-T46 WeakPolarHBondContact CA-OG1 3.48Å; S32-T46 PolarHBondContact O-N 3.39Å; T46-L48 PolarHBondContact O-N 2.94Å; T46-G49 PolarHBondContact O-N 3.22Å; T46-G49 VanDerWaalsContact O-N 3.08Å
47E97.5Very high98.3Very high121 Ų12167.5 Ų67.557%0.56533%0.332SS*.G310 helixtrans-55.2-37.1-179-174.659-147.400112.5G49 R50E47-G49 PolarHBondContact O-N 2.63Å; E47-R50 VanDerWaalsContact CD-CZ 3.43Å; E47-R50 WeakPolarHBondContact O-CB 3.47Å; E47-R50 PolarHBondContact O-N 3.39Å; E47-R50 VanDerWaalsContact O-N 3.14Å; E47-R50 IonicContact OE1-CZ 3.73Å; E47-R50 IonicContact OE1-NE 3.54Å; E47-R50 IonicContact OE1-NH1 2.91Å; E47-R50 PolarHBondContact OE1-NH1 2.86Å; E47-R50 IonicContact OE1-NH2 3.73Å; E47-R50 PolarHBondContact OE1-NH2 2.95Å; E47-R50 IonicContact OE2-CZ 2.7Å; E47-R50 IonicContact OE2-NE 2.73Å; E47-R50 IonicContact OE2-NH1 3.38Å; E47-R50 PolarHBondContact OE2-NH1 3.44Å; E47-R50 IonicContact OE2-NH2 2.98Å; E47-R50 PolarHBondContact OE2-NH2 2.85Å
48L96.4Very high98.3Very high101 Ų10170.4 Ų70.453%0.52935%0.352SS..G310 helixtrans-58.2-34.2-179.8-176.164.5000112.5Y27 T46Y27-L48 HydrophobicContact CD1-CD2 4.22Å; Y27-L48 HydrophobicContact CD2-CD2 3.55Å; Y27-L48 HydrophobicContact CD2-CG 4.47Å; Y27-L48 HydrophobicContact CE2-CD2 4Å; Y27-L48 HydrophobicContact CG-CD2 3.66Å; T46-L48 PolarHBondContact O-N 2.94Å
49G98Very high98.3Very high0 Ų068.5 Ų68.50%034%0.341CS..G310 helixtrans-85.9-1.1-17800000115.1S32 T46 E47 H51 D52 A53S32-G49 WeakPolarHBondContact O-CA 3.22Å; T46-G49 PolarHBondContact O-N 3.22Å; T46-G49 VanDerWaalsContact O-N 3.08Å; E47-G49 PolarHBondContact O-N 2.63Å; G49-H51 PolarHBondContact O-N 3.37Å; G49-D52 PolarHBondContact O-N 2.91Å; G49-A53 WeakPolarHBondContact O-CB 3.43Å; G49-A53 PolarHBondContact O-N 2.83Å
50R98.5Very high98.2Very high124 Ų12472.8 Ų72.847%0.46835%0.353SS..Hα-helixtrans-58-51.3-176.9-177.9-179.8-68158.92.1111.9A44 E47 D52 A53 E54A44-R50 HydrophobicContact CB-CB 4.42Å; E47-R50 VanDerWaalsContact CD-CZ 3.43Å; E47-R50 WeakPolarHBondContact O-CB 3.47Å; E47-R50 PolarHBondContact O-N 3.39Å; E47-R50 VanDerWaalsContact O-N 3.14Å; E47-R50 IonicContact OE1-CZ 3.73Å; E47-R50 IonicContact OE1-NE 3.54Å; E47-R50 IonicContact OE1-NH1 2.91Å; E47-R50 PolarHBondContact OE1-NH1 2.86Å; E47-R50 IonicContact OE1-NH2 3.73Å; E47-R50 PolarHBondContact OE1-NH2 2.95Å; E47-R50 IonicContact OE2-CZ 2.7Å; E47-R50 IonicContact OE2-NE 2.73Å; E47-R50 IonicContact OE2-NH1 3.38Å; E47-R50 PolarHBondContact OE2-NH1 3.44Å; E47-R50 IonicContact OE2-NH2 2.98Å; E47-R50 PolarHBondContact OE2-NH2 2.85Å; R50-D52 VanDerWaalsContact C-N 3.35Å; R50-D52 PolarHBondContact O-N 3.41Å; R50-A53 PolarHBondContact O-N 2.85Å; R50-E54 WeakPolarHBondContact CG-OE1 3.41Å; R50-E54 WeakPolarHBondContact O-CG 3.37Å; R50-E54 PolarHBondContact O-N 2.79Å
51H98.2Very high98.2Very high133 Ų13377.6 Ų77.662%0.61638%0.376SS*.Hα-helixtrans-63.5-41.5-178.7-177.4-83.1000111.8G49 E54 Y55G49-H51 PolarHBondContact O-N 3.37Å; H51-E54 PolarHBondContact O-N 2.81Å; H51-Y55 VanDerWaalsContact O-CB 3.23Å; H51-Y55 WeakPolarHBondContact O-CB 3.35Å; H51-Y55 PolarHBondContact O-N 2.96Å
52D97.9Very high98.2Very high41 Ų4177.3 Ų77.322%0.21938%0.375CS..Hα-helixtrans-63.1-44.8178-66.3-22.7000111.4V33 G49 R50 Y55 W56V33-D52 HydrophobicContact CG1-CB 4.19Å; G49-D52 PolarHBondContact O-N 2.91Å; R50-D52 VanDerWaalsContact C-N 3.35Å; R50-D52 PolarHBondContact O-N 3.41Å; D52-Y55 PolarHBondContact O-N 3.1Å; D52-W56 HydrophobicContact CB-CE3 4.43Å; D52-W56 HydrophobicContact CB-CH2 4.44Å; D52-W56 HydrophobicContact CB-CZ2 4.47Å; D52-W56 HydrophobicContact CB-CZ3 4.42Å; D52-W56 WeakPolarHBondContact O-CB 3.4Å; D52-W56 VanDerWaalsContact O-CG 3.25Å; D52-W56 PolarHBondContact O-N 2.84Å
53A98.6Very high98.1Very high7 Ų777.8 Ų77.86%0.05838%0.378CS..Hα-helixtrans-62.4-46.3178.300000112.1V33 F42 A44 G49 R50 N57V33-A53 HydrophobicContact CG2-CB 3.99Å; F42-A53 HydrophobicContact CB-CB 4.31Å; A44-A53 HydrophobicContact CB-CB 4.24Å; G49-A53 WeakPolarHBondContact O-CB 3.43Å; G49-A53 PolarHBondContact O-N 2.83Å; R50-A53 PolarHBondContact O-N 2.85Å; A53-N57 VanDerWaalsContact O-CB 3.25Å; A53-N57 WeakPolarHBondContact O-CB 3.37Å; A53-N57 PolarHBondContact O-N 3.1Å; A53-N57 PolarHBondContact O-ND2 2.79Å; A53-N57 VanDerWaalsContact O-ND2 3.09Å
54E98.5Very high98.1Very high122 Ų12275.5 Ų75.557%0.5737%0.374SS*.Hα-helixtrans-61.6-47176.7-72.7172.3-170.400111.5R50 H51 N57 S58R50-E54 WeakPolarHBondContact CG-OE1 3.41Å; R50-E54 WeakPolarHBondContact O-CG 3.37Å; R50-E54 PolarHBondContact O-N 2.79Å; H51-E54 PolarHBondContact O-N 2.81Å; E54-N57 PolarHBondContact O-N 3.32Å; E54-S58 WeakPolarHBondContact O-CB 3.43Å; E54-S58 PolarHBondContact O-N 3.05Å
55Y98.5Very high98.1Very high122 Ų12280.3 Ų80.348%0.47839%0.389SS..Hα-helixtrans-64.2-45.8-179.1177.7-116.7000112.4H51 D52 S58 Q59H51-Y55 VanDerWaalsContact O-CB 3.23Å; H51-Y55 WeakPolarHBondContact O-CB 3.35Å; H51-Y55 PolarHBondContact O-N 2.96Å; D52-Y55 PolarHBondContact O-N 3.1Å; Y55-S58 PolarHBondContact O-N 3.48Å; Y55-S58 PolarHBondContact O-OG 2.67Å; Y55-Q59 VanDerWaalsContact CD1-NE2 3.29Å; Y55-Q59 PolarHBondContact O-N 3.27Å; Y55-Q59 PolarHBondContact O-NE2 3.4Å; Y55-Q59 PolarHBondContact OH-NE2 2.81Å; Y55-Q59 PolarHBondContact OH-OE1 3.22Å
56W98.5Very high98.1Very high44 Ų4477.7 Ų77.717%0.16737%0.374CS..Hα-helixtrans-70.8-36.7179.5-65-21.4000112.6Y25 V33 F42 D52 S58 Q59 I62Y25-W56 HydrophobicContact CD1-CH2 4.05Å; Y25-W56 AromaticContact CD2-CH2 3.74Å; Y25-W56 HydrophobicContact CD2-CH2 3.74Å; Y25-W56 AromaticContact CD2-CZ3 3.66Å; Y25-W56 HydrophobicContact CD2-CZ3 3.66Å; Y25-W56 AromaticContact CE1-CH2 3.84Å; Y25-W56 HydrophobicContact CE1-CH2 3.84Å; Y25-W56 AromaticContact CE2-CH2 3.56Å; Y25-W56 HydrophobicContact CE2-CH2 3.56Å; Y25-W56 AromaticContact CE2-CZ3 3.49Å; Y25-W56 HydrophobicContact CE2-CZ3 3.49Å; Y25-W56 VanDerWaalsContact CE2-CZ3 3.49Å; Y25-W56 AromaticContact CG-CH2 3.98Å; Y25-W56 HydrophobicContact CG-CH2 3.98Å; Y25-W56 HydrophobicContact CG-CZ3 4.33Å; Y25-W56 AromaticContact CZ-CH2 3.6Å; Y25-W56 AromaticContact CZ-CZ3 3.99Å; V33-W56 HydrophobicContact CB-CZ3 4.45Å; V33-W56 HydrophobicContact CG1-CE3 4.49Å; V33-W56 HydrophobicContact CG1-CH2 3.98Å; V33-W56 HydrophobicContact CG1-CZ3 3.56Å; V33-W56 HydrophobicContact CG2-CE3 4.19Å; V33-W56 HydrophobicContact CG2-CZ3 3.97Å; F42-W56 HydrophobicContact CB-CE3 4.41Å; F42-W56 HydrophobicContact CD1-CD2 4.37Å; F42-W56 AromaticContact CD1-CE3 3.29Å; F42-W56 HydrophobicContact CD1-CE3 3.29Å; F42-W56 AromaticContact CD1-CZ3 3.73Å; F42-W56 HydrophobicContact CD1-CZ3 3.73Å; F42-W56 HydrophobicContact CD2-CB 3.74Å; F42-W56 HydrophobicContact CD2-CE3 4.36Å; F42-W56 HydrophobicContact CE1-CD2 4.33Å; F42-W56 AromaticContact CE1-CE3 3.42Å; F42-W56 HydrophobicContact CE1-CE3 3.42Å; F42-W56 VanDerWaalsContact CE1-CE3 3.42Å; F42-W56 AromaticContact CE1-CZ3 3.73Å; F42-W56 HydrophobicContact CE1-CZ3 3.73Å; F42-W56 HydrophobicContact CE2-CB 4Å; F42-W56 HydrophobicContact CE2-CE3 4.5Å; F42-W56 HydrophobicContact CG-CB 4.11Å; F42-W56 AromaticContact CG-CE3 3.78Å; F42-W56 HydrophobicContact CG-CE3 3.78Å; F42-W56 HydrophobicContact CZ-CE3 4.07Å; D52-W56 HydrophobicContact CB-CE3 4.43Å; D52-W56 HydrophobicContact CB-CH2 4.44Å; D52-W56 HydrophobicContact CB-CZ2 4.47Å; D52-W56 HydrophobicContact CB-CZ3 4.42Å; D52-W56 WeakPolarHBondContact O-CB 3.4Å; D52-W56 VanDerWaalsContact O-CG 3.25Å; D52-W56 PolarHBondContact O-N 2.84Å; W56-S58 VanDerWaalsContact C-N 3.25Å; W56-S58 PolarHBondContact O-N 3.32Å; W56-Q59 PolarHBondContact O-N 2.9Å; W56-Q59 VanDerWaalsContact O-N 3.15Å; W56-I62 HydrophobicContact CB-CG2 4.43Å
57N98.6Very high98.1Very high44 Ų4481.1 Ų81.124%0.23538%0.383CS..Hα-helixtrans-68.2-25.9174.5-71-24.6000112.9E41 F42 A53 E54 Q59E41-N57 WeakPolarHBondContact CB-OD1 3.3Å; F42-N57 PolarHBondContact N-OD1 3.46Å; F42-N57 PolarHBondContact O-ND2 2.76Å; A53-N57 VanDerWaalsContact O-CB 3.25Å; A53-N57 WeakPolarHBondContact O-CB 3.37Å; A53-N57 PolarHBondContact O-N 3.1Å; A53-N57 PolarHBondContact O-ND2 2.79Å; A53-N57 VanDerWaalsContact O-ND2 3.09Å; E54-N57 PolarHBondContact O-N 3.32Å; N57-Q59 VanDerWaalsContact C-N 3.27Å; N57-Q59 PolarHBondContact O-N 3.08Å
58S98.4Very high98.2Very high87 Ų8777.2 Ų77.261%0.60837%0.372SS*.Hα-helixtrans-72.5-20.3173.679.50000113.5E54 Y55 W56E54-S58 WeakPolarHBondContact O-CB 3.43Å; E54-S58 PolarHBondContact O-N 3.05Å; Y55-S58 PolarHBondContact O-N 3.48Å; Y55-S58 PolarHBondContact O-OG 2.67Å; W56-S58 VanDerWaalsContact C-N 3.25Å; W56-S58 PolarHBondContact O-N 3.32Å
59Q98.4Very high98.3Very high44 Ų4472.9 Ų72.921%0.20635%0.35CS..  trans-94.398.7-179.5-75175.29600110.7Y55 W56 N57 D61 I62 L63Y55-Q59 VanDerWaalsContact CD1-NE2 3.29Å; Y55-Q59 PolarHBondContact O-N 3.27Å; Y55-Q59 PolarHBondContact O-NE2 3.4Å; Y55-Q59 PolarHBondContact OH-NE2 2.81Å; Y55-Q59 PolarHBondContact OH-OE1 3.22Å; W56-Q59 PolarHBondContact O-N 2.9Å; W56-Q59 VanDerWaalsContact O-N 3.15Å; N57-Q59 VanDerWaalsContact C-N 3.27Å; N57-Q59 PolarHBondContact O-N 3.08Å; Q59-D61 VanDerWaalsContact C-N 3.29Å; Q59-D61 PolarHBondContact O-N 3.19Å; Q59-I62 HydrophobicContact CB-CB 4.05Å; Q59-I62 HydrophobicContact CB-CD1 3.87Å; Q59-I62 HydrophobicContact CB-CG1 3.95Å; Q59-I62 VanDerWaalsContact CD-CD1 3.45Å; Q59-I62 HydrophobicContact CG-CD1 4.3Å; Q59-I62 PolarHBondContact O-N 3.28Å; Q59-L63 PolarHBondContact O-N 3.21Å
60K97.5Very high98.3Very high175 Ų17573.7 Ų73.776%0.76136%0.355SS*.Hα-helixtrans-58.7-39.2-174.9-69.6-173.8177.5-178.20113.1L63 E64K60-L63 PolarHBondContact O-N 2.95Å; K60-E64 WeakPolarHBondContact O-CB 3.35Å; K60-E64 VanDerWaalsContact O-CG 3.25Å; K60-E64 WeakPolarHBondContact O-CG 3.23Å; K60-E64 PolarHBondContact O-N 2.78Å
61D98Very high98.3Very high113 Ų11372.2 Ų72.260%0.60436%0.357SS*.Hα-helixtrans-61.5-46.8177.557.8-32.4000112.1Q59 Q65Q59-D61 VanDerWaalsContact C-N 3.29Å; Q59-D61 PolarHBondContact O-N 3.19Å; D61-Q65 VanDerWaalsContact O-CB 3.31Å; D61-Q65 WeakPolarHBondContact O-CB 3.29Å; D61-Q65 PolarHBondContact O-N 2.77Å
62I97.8Very high98.3Very high49 Ų4970.4 Ų70.425%0.25136%0.355SS..Hα-helixtrans-63.2-46.1176.6-62.2-176.4000110.6F42 W56 Q59 Q65 A66F42-I62 HydrophobicContact CE2-CG2 4.07Å; F42-I62 HydrophobicContact CZ-CG2 4.33Å; W56-I62 HydrophobicContact CB-CG2 4.43Å; Q59-I62 HydrophobicContact CB-CB 4.05Å; Q59-I62 HydrophobicContact CB-CD1 3.87Å; Q59-I62 HydrophobicContact CB-CG1 3.95Å; Q59-I62 VanDerWaalsContact CD-CD1 3.45Å; Q59-I62 HydrophobicContact CG-CD1 4.3Å; Q59-I62 PolarHBondContact O-N 3.28Å; I62-Q65 PolarHBondContact O-N 2.93Å; I62-A66 WeakPolarHBondContact O-CB 3.3Å; I62-A66 PolarHBondContact O-N 2.88Å
63L98.3Very high98.3Very high16 Ų1672.8 Ų72.88%0.08436%0.362CS..Hα-helixtrans-65-43.9-177.3-174.159.8000112.2F35 G40 E41 F42 Q59 K60 A66 R67F35-L63 HydrophobicContact CD2-CD1 4.49Å; F35-L63 HydrophobicContact CE2-CD1 4Å; G40-L63 WeakPolarHBondContact O-CD1 3.39Å; E41-L63 HydrophobicContact CB-CD1 4.06Å; F42-L63 HydrophobicContact CD2-CD1 4.41Å; Q59-L63 PolarHBondContact O-N 3.21Å; K60-L63 PolarHBondContact O-N 2.95Å; L63-A66 PolarHBondContact O-N 3.33Å; L63-R67 VanDerWaalsContact O-CG 3.28Å; L63-R67 WeakPolarHBondContact O-CG 3.33Å; L63-R67 PolarHBondContact O-N 2.94Å
64E98.4Very high98.3Very high103 Ų10372.5 Ų72.548%0.48136%0.359SS..Hα-helixtrans-67.2-37.7175.9-70-54.6129.600111.9K60 A66 R67 A68K60-E64 WeakPolarHBondContact O-CB 3.35Å; K60-E64 VanDerWaalsContact O-CG 3.25Å; K60-E64 WeakPolarHBondContact O-CG 3.23Å; K60-E64 PolarHBondContact O-N 2.78Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-A66 PolarHBondContact O-N 3Å; E64-R67 PolarHBondContact O-N 3.48Å; E64-R67 IonicContact OE1-CZ 2.63Å; E64-R67 IonicContact OE1-NH1 3.37Å; E64-R67 PolarHBondContact OE1-NH1 2.96Å; E64-A68 WeakPolarHBondContact O-CB 3.11Å; E64-A68 PolarHBondContact O-N 2.91Å
65Q98.3Very high98.2Very high145 Ų14570.3 Ų70.368%0.67835%0.346SS*.Hα-helixtrans-62.3-42.5173.9-173.6178.85.400111.7D61 I62 A68 A69D61-Q65 VanDerWaalsContact O-CB 3.31Å; D61-Q65 WeakPolarHBondContact O-CB 3.29Å; D61-Q65 PolarHBondContact O-N 2.77Å; I62-Q65 PolarHBondContact O-N 2.93Å; Q65-A68 PolarHBondContact O-N 3.2Å; Q65-A69 PolarHBondContact O-N 3.43Å; Q65-A69 VanDerWaalsContact O-N 3.1Å
66A98.2Very high98.1Very high10 Ų1070 Ų708%0.08335%0.348CS..Hα-helixtrans-64.7-40.517700000112F35 F42 I62 L63 E64 A69F35-A66 HydrophobicContact CD1-CB 4Å; F35-A66 HydrophobicContact CD2-CB 3.71Å; F35-A66 HydrophobicContact CE1-CB 3.9Å; F35-A66 VanDerWaalsContact CE1-O 3.29Å; F35-A66 WeakPolarHBondContact CE1-O 3.47Å; F35-A66 HydrophobicContact CE2-CB 3.61Å; F35-A66 HydrophobicContact CG-CB 3.91Å; F35-A66 VanDerWaalsContact CZ-C 3.49Å; F35-A66 HydrophobicContact CZ-CB 3.72Å; F42-A66 HydrophobicContact CE2-CB 4.13Å; F42-A66 HydrophobicContact CZ-CB 4.16Å; I62-A66 WeakPolarHBondContact O-CB 3.3Å; I62-A66 PolarHBondContact O-N 2.88Å; L63-A66 PolarHBondContact O-N 3.33Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-A66 PolarHBondContact O-N 3Å; A66-A69 VanDerWaalsContact O-CB 3.3Å; A66-A69 WeakPolarHBondContact O-CB 3.44Å; A66-A69 PolarHBondContact O-N 3.36Å
67R98.6Very high98Very high102 Ų10270.6 Ų70.639%0.38536%0.355SS..Hα-helixtrans-61.7-43.1173.3-71.3166.5178.2175.3-2.7112F35 G40 L63 E64 A69F35-R67 HydrophobicContact CE2-CG 4.29Å; F35-R67 HydrophobicContact CZ-CB 4.49Å; F35-R67 HydrophobicContact CZ-CG 3.88Å; G40-R67 VanDerWaalsContact O-CZ 3.3Å; G40-R67 PolarHBondContact O-NE 2.91Å; G40-R67 PolarHBondContact O-NH2 3.47Å; L63-R67 VanDerWaalsContact O-CG 3.28Å; L63-R67 WeakPolarHBondContact O-CG 3.33Å; L63-R67 PolarHBondContact O-N 2.94Å; E64-R67 PolarHBondContact O-N 3.48Å; E64-R67 IonicContact OE1-CZ 2.63Å; E64-R67 IonicContact OE1-NH1 3.37Å; E64-R67 PolarHBondContact OE1-NH1 2.96Å; R67-A69 PolarHBondContact O-N 3.34Å
68A98.6Very high97.8Very high40 Ų4069.9 Ų69.933%0.33135%0.349SS..Hα-helixtrans-72.5-12.4179.200000113.9E64 Q65 V70 D71 T72E64-A68 WeakPolarHBondContact O-CB 3.11Å; E64-A68 PolarHBondContact O-N 2.91Å; Q65-A68 PolarHBondContact O-N 3.2Å; A68-V70 PolarHBondContact O-N 2.62Å; A68-D71 PolarHBondContact O-N 3.49Å; A68-D71 VanDerWaalsContact O-N 3.16Å; A68-T72 HydrophobicContact CB-CG2 4.27Å; A68-T72 WeakPolarHBondContact O-CB 3.43Å; A68-T72 WeakPolarHBondContact O-CG2 3.47Å; A68-T72 PolarHBondContact O-N 2.61Å; A68-T72 PolarHBondContact O-OG1 3.14Å
69A98.5Very high97.6Very high9 Ų968.1 Ų68.17%0.07435%0.345CS..Hα-helixtrans-64.5-23.1-177.300000113.3F21 Q65 A66 R67 D71 T72 Y73 C74F21-A69 HydrophobicContact CD1-CB 3.58Å; F21-A69 HydrophobicContact CD2-CB 4.29Å; F21-A69 HydrophobicContact CE1-CB 3.52Å; F21-A69 HydrophobicContact CE2-CB 4.23Å; F21-A69 HydrophobicContact CG-CB 3.97Å; F21-A69 HydrophobicContact CZ-CB 3.85Å; Q65-A69 PolarHBondContact O-N 3.43Å; Q65-A69 VanDerWaalsContact O-N 3.1Å; A66-A69 VanDerWaalsContact O-CB 3.3Å; A66-A69 WeakPolarHBondContact O-CB 3.44Å; A66-A69 PolarHBondContact O-N 3.36Å; R67-A69 PolarHBondContact O-N 3.34Å; A69-D71 VanDerWaalsContact C-N 3.28Å; A69-D71 PolarHBondContact O-N 3.45Å; A69-T72 WeakPolarHBondContact CA-OG1 3.33Å; A69-Y73 WeakPolarHBondContact O-CA 3.42Å; A69-Y73 VanDerWaalsContact O-CB 3.3Å; A69-Y73 WeakPolarHBondContact O-CB 3.5Å; A69-Y73 PolarHBondContact O-N 3.01Å; A69-C74 PolarHBondContact O-N 3.34Å
70V98.6Very high97.4Very high17 Ų1770 Ų7010%0.10336%0.359CS..Iπ-helixtrans-57.7-44.3173.9-171.10000110.7V19 F21 S37 A68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.71Å; V19-V70 HydrophobicContact CG1-CG1 3.86Å; V19-V70 WeakPolarHBondContact O-CG1 3.42Å; F21-V70 HydrophobicContact CB-CG2 3.96Å; S37-V70 VanDerWaalsContact CB-CG2 3.45Å; A68-V70 PolarHBondContact O-N 2.62Å; V70-C74 WeakPolarHBondContact O-CB 3.49Å; V70-R75 VanDerWaalsContact CG1-NH1 3.29Å; V70-R75 PolarHBondContact O-N 3.37Å
71D98.3Very high97.1Very high94 Ų9464.2 Ų64.250%0.50334%0.338SS..Iπ-helixtrans-87-53.2179.9-72.1-60000112.3A68 A69 Y73 R75 H76A68-D71 PolarHBondContact O-N 3.49Å; A68-D71 VanDerWaalsContact O-N 3.16Å; A69-D71 VanDerWaalsContact C-N 3.28Å; A69-D71 PolarHBondContact O-N 3.45Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 3.05Å; D71-R75 VanDerWaalsContact CG-NH1 3.27Å; D71-R75 WeakPolarHBondContact OD1-CD 3.34Å; D71-R75 IonicContact OD1-CZ 3.51Å; D71-R75 IonicContact OD1-NE 3.79Å; D71-R75 IonicContact OD1-NH1 2.63Å; D71-R75 PolarHBondContact OD1-NH1 3.48Å; D71-R75 IonicContact OD2-NH1 3.53Å; D71-H76 PolarHBondContact O-N 2.75Å
72T97.9Very high96.6Very high94 Ų9461.4 Ų61.458%0.57732%0.322SS*.Iπ-helixtrans-71.7-27.7-169.459.10000113.1A68 A69 H76A68-T72 HydrophobicContact CB-CG2 4.27Å; A68-T72 WeakPolarHBondContact O-CB 3.43Å; A68-T72 WeakPolarHBondContact O-CG2 3.47Å; A68-T72 PolarHBondContact O-N 2.61Å; A68-T72 PolarHBondContact O-OG1 3.14Å; A69-T72 WeakPolarHBondContact CA-OG1 3.33Å; T72-H76 VanDerWaalsContact O-CB 3.32Å; T72-H76 WeakPolarHBondContact O-CB 3.41Å
73Y97.5Very high96Very high92 Ų9262.3 Ų62.336%0.36133%0.332SS..Iπ-helixtrans-110.8-59.1179.7-177.3-102.5000111.5F21 A69 D71 N77F21-Y73 HydrophobicContact CE2-CD1 4.15Å; A69-Y73 WeakPolarHBondContact O-CA 3.42Å; A69-Y73 VanDerWaalsContact O-CB 3.3Å; A69-Y73 WeakPolarHBondContact O-CB 3.5Å; A69-Y73 PolarHBondContact O-N 3.01Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 3.05Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.31Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.45Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.49Å; Y73-N77 VanDerWaalsContact O-CB 3.24Å; Y73-N77 WeakPolarHBondContact O-CB 3.43Å; Y73-N77 PolarHBondContact O-N 2.8Å; Y73-N77 PolarHBondContact O-ND2 3.47Å
74C98.1Very high95.3Very high0 Ų066.2 Ų66.20%035%0.349CS..Iπ-helixtrans-68.7-57.6-171.8-63.70000112.9C10 F12 V19 F21 A69 V70 H76 N77 Y78C10-C74 HydrophobicContact CB-CB 3.63Å; C10-C74 WeakPolarHBondContact CB-SG 3.19Å; C10-C74 WeakPolarHBondContact SG-CA 3.36Å; C10-C74 WeakPolarHBondContact SG-CB 3.17Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 3.17Å; F12-C74 HydrophobicContact CE1-CB 4.2Å; F12-C74 HydrophobicContact CZ-CB 3.98Å; F12-C74 WeakPolarHBondContact CZ-O 3.28Å; V19-C74 HydrophobicContact CG1-CB 3.54Å; F21-C74 VanDerWaalsContact CD2-SG 3.58Å; A69-C74 PolarHBondContact O-N 3.34Å; V70-C74 WeakPolarHBondContact O-CB 3.49Å; C74-H76 VanDerWaalsContact C-N 3.34Å; C74-H76 PolarHBondContact O-N 3.46Å; C74-N77 PolarHBondContact O-N 2.97Å; C74-Y78 WeakPolarHBondContact O-CB 3.31Å; C74-Y78 PolarHBondContact O-N 2.89Å
75R97.7Very high94.6Very high76 Ų7665.3 Ų65.329%0.28735%0.35SS..Iπ-helixtrans-63.6-40.3180-71.4-172.5-176.992.43.5112.2T16 V19 V70 D71 Y78 G79T16-R75 HydrophobicContact CG2-CG 4.49Å; T16-R75 PolarHBondContact O-NE 3.08Å; V19-R75 HydrophobicContact CG2-CG 3.94Å; V70-R75 VanDerWaalsContact CG1-NH1 3.29Å; V70-R75 PolarHBondContact O-N 3.37Å; D71-R75 VanDerWaalsContact CG-NH1 3.27Å; D71-R75 WeakPolarHBondContact OD1-CD 3.34Å; D71-R75 IonicContact OD1-CZ 3.51Å; D71-R75 IonicContact OD1-NE 3.79Å; D71-R75 IonicContact OD1-NH1 2.63Å; D71-R75 PolarHBondContact OD1-NH1 3.48Å; D71-R75 IonicContact OD2-NH1 3.53Å; R75-Y78 PolarHBondContact O-N 3.09Å; R75-G79 PolarHBondContact O-N 2.7Å
76H96.4Very high93.8Very high116 Ų11661.3 Ų61.354%0.53734%0.335SS..Hα-helixtrans-55.1-55.1174.2178.572.1000111.7D71 T72 C74 Y78 G79 V80D71-H76 PolarHBondContact O-N 2.75Å; T72-H76 VanDerWaalsContact O-CB 3.32Å; T72-H76 WeakPolarHBondContact O-CB 3.41Å; C74-H76 VanDerWaalsContact C-N 3.34Å; C74-H76 PolarHBondContact O-N 3.46Å; H76-Y78 VanDerWaalsContact C-N 3.34Å; H76-Y78 PolarHBondContact O-N 2.99Å; H76-G79 PolarHBondContact O-N 3.21Å; H76-V80 WeakPolarHBondContact O-CG2 3.37Å; H76-V80 PolarHBondContact O-N 2.69Å
77N95.8Very high92.5Very high57 Ų5767 Ų6731%0.30536%0.36SS..Hα-helixtrans-64.8-38.9-178.7-71.4-26.9000112.1Y73 C74 G79 V80 V81Y73-N77 VanDerWaalsContact CD2-ND2 3.31Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.45Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.49Å; Y73-N77 VanDerWaalsContact O-CB 3.24Å; Y73-N77 WeakPolarHBondContact O-CB 3.43Å; Y73-N77 PolarHBondContact O-N 2.8Å; Y73-N77 PolarHBondContact O-ND2 3.47Å; C74-N77 PolarHBondContact O-N 2.97Å; N77-G79 PolarHBondContact O-N 3.49Å; N77-V80 PolarHBondContact O-N 3.41Å; N77-V80 VanDerWaalsContact O-N 3.17Å; N77-V81 WeakPolarHBondContact O-CG2 3.23Å; N77-V81 PolarHBondContact O-N 2.92Å
78Y94.9Very high90.7Very high28 Ų2871.5 Ų71.511%0.1138%0.377CS..Hα-helixtrans-56.5-49.9175.2-173.7-87.7000110.9F12 T16 C74 R75 H76 V80 V81 E82 V86F12-Y78 HydrophobicContact CB-CE2 4.43Å; F12-Y78 AromaticContact CD1-CD2 3.62Å; F12-Y78 HydrophobicContact CD1-CD2 3.62Å; F12-Y78 HydrophobicContact CD1-CE2 4.23Å; F12-Y78 HydrophobicContact CD1-CG 4.04Å; F12-Y78 AromaticContact CD2-CD2 3.94Å; F12-Y78 HydrophobicContact CD2-CD2 3.94Å; F12-Y78 HydrophobicContact CD2-CE2 4.48Å; F12-Y78 AromaticContact CE1-CD2 3.7Å; F12-Y78 HydrophobicContact CE1-CD2 3.7Å; F12-Y78 AromaticContact CE1-CG 3.81Å; F12-Y78 HydrophobicContact CE1-CG 3.81Å; F12-Y78 AromaticContact CE2-CD2 3.98Å; F12-Y78 HydrophobicContact CE2-CD2 3.98Å; F12-Y78 AromaticContact CG-CD2 3.77Å; F12-Y78 HydrophobicContact CG-CD2 3.77Å; F12-Y78 HydrophobicContact CG-CE2 4.13Å; F12-Y78 AromaticContact CZ-CD2 3.88Å; F12-Y78 HydrophobicContact CZ-CD2 3.88Å; F12-Y78 HydrophobicContact CZ-CG 4.16Å; T16-Y78 HydrophobicContact CG2-CD1 3.32Å; T16-Y78 HydrophobicContact CG2-CE1 3.67Å; T16-Y78 HydrophobicContact CG2-CG 3.88Å; C74-Y78 WeakPolarHBondContact O-CB 3.31Å; C74-Y78 PolarHBondContact O-N 2.89Å; R75-Y78 PolarHBondContact O-N 3.09Å; H76-Y78 VanDerWaalsContact C-N 3.34Å; H76-Y78 PolarHBondContact O-N 2.99Å; Y78-V80 VanDerWaalsContact C-N 3.25Å; Y78-V80 PolarHBondContact O-N 3.5Å; Y78-V81 PolarHBondContact O-N 2.9Å; Y78-V81 VanDerWaalsContact O-N 3.11Å; Y78-E82 HydrophobicContact CD1-CB 4.16Å; Y78-E82 HydrophobicContact CD1-CG 4.47Å; Y78-E82 HydrophobicContact CE1-CB 3.94Å; Y78-E82 HydrophobicContact CE1-CG 3.77Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.25Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.46Å; Y78-E82 WeakPolarHBondContact O-CA 3.25Å; Y78-E82 WeakPolarHBondContact O-CB 3.42Å; Y78-E82 PolarHBondContact O-N 3.33Å; Y78-E82 PolarHBondContact OH-OE1 2.82Å; Y78-V86 HydrophobicContact CE2-CG2 4.29Å
79G93.7Very high88.6Confident51 Ų5183.5 Ų83.553%0.52641%0.414SS..Hα-helixtrans-60.2-32.6177.700000113.9R75 H76 N77R75-G79 PolarHBondContact O-N 2.7Å; H76-G79 PolarHBondContact O-N 3.21Å; N77-G79 PolarHBondContact O-N 3.49Å
80V93.4Very high88.1Confident83 Ų8387.3 Ų87.350%0.50343%0.431SS..Hα-helixtrans-69.6-41.4175.2174.70000111.5H76 N77 Y78H76-V80 WeakPolarHBondContact O-CG2 3.37Å; H76-V80 PolarHBondContact O-N 2.69Å; N77-V80 PolarHBondContact O-N 3.41Å; N77-V80 VanDerWaalsContact O-N 3.17Å; Y78-V80 VanDerWaalsContact C-N 3.25Å; Y78-V80 PolarHBondContact O-N 3.5Å
81V91.2Very high87.5Confident54 Ų5490.9 Ų90.933%0.32745%0.448SS..Hα-helixtrans-96.3-18.2-171.6-53.10000115N77 Y78 S83 F84 T85N77-V81 WeakPolarHBondContact O-CG2 3.23Å; N77-V81 PolarHBondContact O-N 2.92Å; Y78-V81 PolarHBondContact O-N 2.9Å; Y78-V81 VanDerWaalsContact O-N 3.11Å; V81-S83 VanDerWaalsContact C-N 3.26Å; V81-S83 PolarHBondContact O-N 3.44Å; V81-F84 VanDerWaalsContact CA-CE1 3.49Å; V81-F84 HydrophobicContact CB-CE1 4.06Å; V81-F84 HydrophobicContact CB-CE2 4.22Å; V81-F84 HydrophobicContact CB-CZ 3.66Å; V81-F84 HydrophobicContact CG1-CE1 4.3Å; V81-F84 HydrophobicContact CG1-CZ 3.75Å; V81-F84 PolarHBondContact O-N 3.5Å; V81-T85 HydrophobicContact CB-CG2 4.32Å; V81-T85 WeakPolarHBondContact O-CB 3.47Å; V81-T85 PolarHBondContact O-N 3.38Å; V81-T85 PolarHBondContact O-OG1 3.22Å
82E89Confident86.9Confident54 Ų5490.8 Ų90.825%0.25245%0.445SS..Hα-helixtrans-57-40.5-173.6-176.6177.2-146.900112.1Y78 F84 T85 V86 Q87Y78-E82 HydrophobicContact CD1-CB 4.16Å; Y78-E82 HydrophobicContact CD1-CG 4.47Å; Y78-E82 HydrophobicContact CE1-CB 3.94Å; Y78-E82 HydrophobicContact CE1-CG 3.77Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.25Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.46Å; Y78-E82 WeakPolarHBondContact O-CA 3.25Å; Y78-E82 WeakPolarHBondContact O-CB 3.42Å; Y78-E82 PolarHBondContact O-N 3.33Å; Y78-E82 PolarHBondContact OH-OE1 2.82Å; E82-F84 PolarHBondContact O-N 3.15Å; E82-F84 VanDerWaalsContact O-N 3.08Å; E82-T85 PolarHBondContact O-N 3.3Å; E82-V86 HydrophobicContact CG-CB 3.83Å; E82-V86 HydrophobicContact CG-CG1 4.45Å; E82-V86 HydrophobicContact CG-CG2 4.14Å; E82-V86 PolarHBondContact O-N 3.49Å; E82-Q87 HydrophobicContact CG-CG 4.22Å; E82-Q87 PolarHBondContact O-N 3.38Å; E82-Q87 VanDerWaalsContact O-N 3.09Å
83S85.4Confident86.3Confident67 Ų6790.6 Ų90.647%0.46944%0.438SS..Hα-helixtrans-54.8-29.7-178.462.50000113.9V81V81-S83 VanDerWaalsContact C-N 3.26Å; V81-S83 PolarHBondContact O-N 3.44Å
84F82.9Confident85.6Confident99 Ų9990.5 Ų90.543%0.43444%0.443SS..Hα-helixtrans-118.5-5.9-178.763.4-96.4000114.9V81 E82 R88V81-F84 VanDerWaalsContact CA-CE1 3.49Å; V81-F84 HydrophobicContact CB-CE1 4.06Å; V81-F84 HydrophobicContact CB-CE2 4.22Å; V81-F84 HydrophobicContact CB-CZ 3.66Å; V81-F84 HydrophobicContact CG1-CE1 4.3Å; V81-F84 HydrophobicContact CG1-CZ 3.75Å; V81-F84 PolarHBondContact O-N 3.5Å; E82-F84 PolarHBondContact O-N 3.15Å; E82-F84 VanDerWaalsContact O-N 3.08Å; F84-R88 VanDerWaalsContact O-CD 3.31Å; F84-R88 WeakPolarHBondContact O-CD 3.4Å
85T83.3Confident84.8Confident84 Ų8496.5 Ų96.552%0.51547%0.472SS..Hα-helixtrans-109.6-32.5179.554.30000113.5V81 E82V81-T85 HydrophobicContact CB-CG2 4.32Å; V81-T85 WeakPolarHBondContact O-CB 3.47Å; V81-T85 PolarHBondContact O-N 3.38Å; V81-T85 PolarHBondContact O-OG1 3.22Å; E82-T85 PolarHBondContact O-N 3.3Å
86V81.4Confident83.8Confident60 Ų6098 Ų9836%0.36449%0.485SS..THydrogen-bonded Turntrans-112.7-46.1-174.7-177.50000111.1Y78 E82 R88Y78-V86 HydrophobicContact CE2-CG2 4.29Å; E82-V86 HydrophobicContact CG-CB 3.83Å; E82-V86 HydrophobicContact CG-CG1 4.45Å; E82-V86 HydrophobicContact CG-CG2 4.14Å; E82-V86 PolarHBondContact O-N 3.49Å; V86-R88 PolarHBondContact O-N 2.73Å
87Q71.3Confident82.9Confident129 Ų12996.6 Ų96.660%0.60348%0.481SS*.THydrogen-bonded Turntrans-74.9-9.7-177.5-68.8176.3-2.800114E82 R89E82-Q87 HydrophobicContact CG-CG 4.22Å; E82-Q87 PolarHBondContact O-N 3.38Å; E82-Q87 VanDerWaalsContact O-N 3.09Å; Q87-R89 PolarHBondContact O-N 3.03Å; Q87-R89 VanDerWaalsContact O-N 3.17Å
88R60.9Low81.8Confident198 Ų19899.9 Ų99.975%0.74750%0.496SS*.THydrogen-bonded Turntrans-78.518.7175.2-81-168.9178.9177.6-7.1114.3F84 V86F84-R88 VanDerWaalsContact O-CD 3.31Å; F84-R88 WeakPolarHBondContact O-CD 3.4Å; V86-R88 PolarHBondContact O-N 2.73Å
89R54.2Low80.6Confident292 Ų292106.5 Ų106.5100%1.10253%0.531SS*.  trans-85.80173.2-77.8-174.1175.6-170.90.3111.4Q87Q87-R89 PolarHBondContact O-N 3.03Å; Q87-R89 VanDerWaalsContact O-N 3.17Å

Retrieved 89 of 89 residues in 135 ms (Link to these results)

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