A0A077ZCZ8_TRITR Loading...

Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A077ZCZ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 207 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.8Very low61Low239 Ų239103.3 Ų103.3100%1.17760%0.603SS**  0115.20-75.1174.3165.100106.3E3M1-E3 PolarHBondContact O-N 2.7Å
2S36.7Very low62.7Low111 Ų11197 Ų9778%0.77657%0.565SS**  trans-64.5105.2-175.545.70000109.7V4S2-V4 PolarHBondContact O-N 2.9Å
3E38.7Very low64.1Low185 Ų18590.2 Ų90.286%0.86453%0.528SS*.  trans-59.591.7158.3-69.6-174.7173.600106.6M1 C5M1-E3 PolarHBondContact O-N 2.7Å; E3-C5 PolarHBondContact O-N 2.98Å
4V46Very low65.6Low114 Ų11486.7 Ų86.769%0.69150%0.504SS*.  trans-65.994158.9-178.90000103.3S2 I6S2-V4 PolarHBondContact O-N 2.9Å; V4-I6 HydrophobicContact CG1-CG1 4.38Å; V4-I6 PolarHBondContact O-N 3.41Å
5C41.5Very low67.1Low106 Ų10681 Ų8172%0.71647%0.47SS*.  trans-60.991174.6-176.40000106.5E3 S7E3-C5 PolarHBondContact O-N 2.98Å; C5-S7 PolarHBondContact O-N 3.35Å
6I57.4Low68.1Low129 Ų12977.2 Ų77.266%0.66245%0.449SS*.  trans-69.390.9170-61.6172.5000103.9V4 E8V4-I6 HydrophobicContact CG1-CG1 4.38Å; V4-I6 PolarHBondContact O-N 3.41Å; I6-E8 HydrophobicContact CG2-CB 3.97Å; I6-E8 HydrophobicContact CG2-CG 4.32Å; I6-E8 PolarHBondContact O-N 2.97Å
7S72.5Confident69.1Low81 Ų8172.6 Ų72.657%0.56642%0.423SS*.  trans-72.40.3-179.856.80000113C5 R90C5-S7 PolarHBondContact O-N 3.35Å; S7-R90 WeakPolarHBondContact O-CD 3.26Å
8E82.3Confident69.8Low37 Ų3771.9 Ų71.917%0.17341%0.414CS..SBendtrans-71.8139176.9-63179178.200110.7I6 W29 R95I6-E8 HydrophobicContact CG2-CB 3.97Å; I6-E8 HydrophobicContact CG2-CG 4.32Å; I6-E8 PolarHBondContact O-N 2.97Å; E8-W29 HydrophobicContact CB-CZ2 4.41Å; E8-R95 IonicContact OE1-CZ 3.09Å; E8-R95 IonicContact OE1-NE 2.81Å; E8-R95 PolarHBondContact OE1-NE 3.48Å; E8-R95 IonicContact OE1-NH2 3.12Å; E8-R95 PolarHBondContact OE1-NH2 3.3Å; E8-R95 IonicContact OE2-CZ 2.76Å; E8-R95 IonicContact OE2-NE 3.21Å; E8-R95 IonicContact OE2-NH2 2.72Å; E8-R95 PolarHBondContact OE2-NH2 3.38Å
9P86.6Confident70.4Confident7 Ų768.7 Ų68.75%0.04540%0.396CS..PPolyproline II helixtrans-61.5154.9173.715.4-20.3000112.7T11 W29 E32 L91P9-T11 PolarHBondContact O-N 3.29Å; P9-W29 PolarHBondContact O-NE1 3.41Å; P9-E32 HydrophobicContact CB-CG 4.42Å; P9-E32 WeakPolarHBondContact CB-OE1 3.26Å; P9-E32 HydrophobicContact CG-CG 3.92Å; P9-E32 WeakPolarHBondContact CG-OE1 3.46Å; P9-L91 HydrophobicContact CG-CD2 3.89Å; P9-L91 HydrophobicContact CG-CG 4.5Å
10A87.4Confident70.7Confident87 Ų8769 Ų6972%0.71940%0.398SS*.PPolyproline II helixtrans-60.413016900000110.2
11T87.7Confident70.9Confident40 Ų4066.7 Ų66.725%0.24539%0.386CS..PPolyproline II helixtrans-73.7148.9174.143.10000110.4P9 E27 L28 W29 K133P9-T11 PolarHBondContact O-N 3.29Å; T11-E27 HydrophobicContact CG2-CB 3.73Å; T11-E27 PolarHBondContact OG1-OE2 2.79Å; T11-L28 CarbonylContact C-O 3.6Å; T11-L28 WeakPolarHBondContact CA-O 3.45Å; T11-L28 WeakPolarHBondContact CB-O 3.23Å; T11-W29 HydrophobicContact CG2-CD2 4.17Å; T11-W29 HydrophobicContact CG2-CG 4.11Å; T11-W29 HydrophobicContact CG2-CZ2 4.38Å; T11-K133 HydrophobicContact CG2-CD 4.25Å; T11-K133 HydrophobicContact CG2-CG 4.36Å
12N80.9Confident73Confident28 Ų2856.6 Ų56.615%0.1534%0.343CS..BIsolated β-bridgetrans-138.996.7176.4-175.711.9000109.2L28 S30 N173N12-L28 CarbonylContact C-O 3.45Å; N12-L28 PolarHBondContact N-O 3.39Å; N12-S30 WeakPolarHBondContact CB-OG 3.46Å; N12-S30 WeakPolarHBondContact O-CB 3.38Å; N12-S30 PolarHBondContact O-OG 3.21Å; N12-N173 PolarHBondContact ND2-ND2 3.34Å; N12-N173 PolarHBondContact OD1-ND2 3.16Å; N12-N173 VanDerWaalsContact OD1-ND2 3.1Å
13G81.4Confident75.2Confident8 Ų854.8 Ų54.88%0.08233%0.325CS..  trans126.1141.4-174.200000112E27 L28 F170G13-E27 WeakPolarHBondContact O-CA 3.02Å; G13-L28 PolarHBondContact O-N 2.88Å; G13-F170 VanDerWaalsContact CA-CD2 3.49Å
14K85.3Confident77.4Confident42 Ų4246 Ų4618%0.18328%0.283CS..EExtended strand (participates in β ladder)trans-138.5131.3174.8-164.3176.2-169.6-178.20110.1E25 I26 A166 K167K14-E25 VanDerWaalsContact CE-OE1 3.24Å; K14-E25 WeakPolarHBondContact CE-OE1 3.45Å; K14-E25 VanDerWaalsContact CE-OE2 3.3Å; K14-E25 WeakPolarHBondContact CE-OE2 3.5Å; K14-E25 IonicContact NZ-OE1 3.22Å; K14-E25 PolarHBondContact NZ-OE1 3.46Å; K14-E25 IonicContact NZ-OE2 2.73Å; K14-E25 PolarHBondContact NZ-OE2 2.88Å; K14-I26 CarbonylContact C-O 3.55Å; K14-I26 VanDerWaalsContact CA-O 3.31Å; K14-I26 WeakPolarHBondContact CA-O 3.46Å; K14-A166 WeakPolarHBondContact O-CA 3.39Å; K14-K167 HydrophobicContact CD-CD 4.4Å; K14-K167 PolarHBondContact O-N 2.81Å
15V86.7Confident79.3Confident1 Ų142.6 Ų42.61%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-122.3128177.3163.60000108L17 I26 L28 F40 V41 I164V15-L17 HydrophobicContact CG1-CD2 3.87Å; V15-L17 HydrophobicContact CG1-CG 4.34Å; V15-I26 PolarHBondContact N-O 2.73Å; V15-I26 PolarHBondContact O-N 3.39Å; V15-L28 HydrophobicContact CG2-CD1 3.89Å; V15-F40 HydrophobicContact CB-CE1 4.01Å; V15-F40 HydrophobicContact CG1-CE1 3.65Å; V15-F40 HydrophobicContact CG1-CZ 4.23Å; V15-F40 HydrophobicContact CG2-CD1 4.41Å; V15-F40 HydrophobicContact CG2-CE1 4.12Å; V15-V41 HydrophobicContact CG2-CG2 3.99Å; V15-I164 HydrophobicContact CG1-CG2 3.48Å; V15-I164 VanDerWaalsContact CG1-CG2 3.48Å
16C84.3Confident81.7Confident20 Ų2037.5 Ų37.514%0.13523%0.226CC..EExtended strand (participates in β ladder)trans-101.2117.9171.3-1780000109I164 V165C16-I164 VanDerWaalsContact O-CA 3.26Å; C16-I164 WeakPolarHBondContact O-CA 3.45Å; C16-V165 HydrophobicContact CB-CB 4.35Å; C16-V165 PolarHBondContact N-O 3.39Å; C16-V165 PolarHBondContact O-N 3.28Å
17L85Confident83.2Confident0 Ų033.3 Ų33.30%020%0.203CC..EExtended strand (participates in β ladder)trans-92.7107.2174.4-71.7-165.6000108.5V15 T19 I24 I26 F40 F114 F116 L161 I164V15-L17 HydrophobicContact CG1-CD2 3.87Å; V15-L17 HydrophobicContact CG1-CG 4.34Å; L17-T19 PolarHBondContact O-N 3.34Å; L17-I24 HydrophobicContact CB-CB 4.11Å; L17-I24 PolarHBondContact N-O 2.92Å; L17-I24 PolarHBondContact O-N 2.96Å; L17-I26 HydrophobicContact CD1-CD1 3.44Å; L17-I26 VanDerWaalsContact CD1-CD1 3.44Å; L17-I26 HydrophobicContact CD1-CG1 4.44Å; L17-I26 HydrophobicContact CG-CD1 3.77Å; L17-I26 HydrophobicContact CG-CG1 4.49Å; L17-F40 HydrophobicContact CD1-CZ 4.41Å; L17-F40 HydrophobicContact CD2-CZ 4.12Å; L17-F114 HydrophobicContact CD1-CE2 4.37Å; L17-F114 HydrophobicContact CD1-CZ 4.26Å; L17-F116 HydrophobicContact CD1-CZ 4.02Å; L17-L161 HydrophobicContact CB-CD1 3.61Å; L17-L161 HydrophobicContact CD1-CD1 3.89Å; L17-L161 HydrophobicContact CD2-CD1 3.83Å; L17-L161 HydrophobicContact CD2-CD2 3.9Å; L17-L161 HydrophobicContact CD2-CG 4.43Å; L17-L161 HydrophobicContact CG-CD1 3.96Å; L17-I164 HydrophobicContact CD2-CD1 3.42Å; L17-I164 VanDerWaalsContact CD2-CD1 3.42Å; L17-I164 HydrophobicContact CD2-CG1 3.67Å
18K82Confident84.1Confident59 Ų5929.5 Ų29.526%0.25718%0.176SC..EExtended strand (participates in β ladder)trans-77.8122.1173.1-64.4-164.4169.1-165.90109.2L161 F162 G163K18-L161 CarbonylContact O-C 3.45Å; K18-L161 WeakPolarHBondContact O-CA 3.33Å; K18-F162 HydrophobicContact CB-CB 4.38Å; K18-F162 PolarHBondContact O-N 2.92Å; K18-G163 PolarHBondContact N-O 3.39Å
19T81.1Confident84.6Confident12 Ų1227.8 Ų27.87%0.07417%0.168CC..EExtended strand (participates in β ladder)trans-128.5164.617867.30000112.1L17 V21 G22 I24 F54 C159 L160 L161L17-T19 PolarHBondContact O-N 3.34Å; T19-V21 PolarHBondContact O-N 3.35Å; T19-V21 VanDerWaalsContact O-N 3.09Å; T19-V21 WeakPolarHBondContact OG1-CG2 3.43Å; T19-G22 PolarHBondContact N-O 2.87Å; T19-G22 PolarHBondContact O-N 3.4Å; T19-G22 VanDerWaalsContact O-N 3.09Å; T19-G22 PolarHBondContact OG1-O 2.88Å; T19-I24 HydrophobicContact CG2-CD1 3.82Å; T19-F54 HydrophobicContact CG2-CE2 4.34Å; T19-C159 WeakPolarHBondContact CB-SG 3.46Å; T19-L160 VanDerWaalsContact CA-O 3.26Å; T19-L160 WeakPolarHBondContact CA-O 3.42Å; T19-L161 HydrophobicContact CG2-CD1 3.53Å
20T76.6Confident84.7Confident73 Ų7327.7 Ų27.745%0.44817%0.168SC..THydrogen-bonded Turntrans-56.2-24.9173.653.80000113.2C159 L160 F162T20-C159 WeakPolarHBondContact OG1-CA 3.47Å; T20-L160 HydrophobicContact CG2-CB 4.09Å; T20-L160 PolarHBondContact N-O 3.21Å; T20-F162 HydrophobicContact CG2-CD2 4.36Å; T20-F162 HydrophobicContact CG2-CE2 3.61Å
21V74.4Confident84.8Confident21 Ų2131 Ų3113%0.12717%0.166CC..THydrogen-bonded Turntrans-91.5-7.7-176.2-45.10000112.9T19 I139 F143 C159T19-V21 PolarHBondContact O-N 3.35Å; T19-V21 VanDerWaalsContact O-N 3.09Å; T19-V21 WeakPolarHBondContact OG1-CG2 3.43Å; V21-I139 HydrophobicContact CG2-CG2 4.39Å; V21-I139 VanDerWaalsContact O-CG2 3.29Å; V21-I139 WeakPolarHBondContact O-CG2 3.35Å; V21-F143 HydrophobicContact CB-CB 4.19Å; V21-F143 HydrophobicContact CB-CD1 4.01Å; V21-F143 HydrophobicContact CB-CD2 3.92Å; V21-F143 HydrophobicContact CB-CE1 4.3Å; V21-F143 HydrophobicContact CB-CE2 4.28Å; V21-F143 HydrophobicContact CB-CG 3.77Å; V21-F143 HydrophobicContact CB-CZ 4.46Å; V21-F143 HydrophobicContact CG1-CB 4.25Å; V21-F143 HydrophobicContact CG1-CD1 3.15Å; V21-F143 HydrophobicContact CG1-CD2 3.72Å; V21-F143 HydrophobicContact CG1-CE1 3.12Å; V21-F143 HydrophobicContact CG1-CE2 3.75Å; V21-F143 HydrophobicContact CG1-CG 3.42Å; V21-F143 VanDerWaalsContact CG1-CG 3.42Å; V21-F143 HydrophobicContact CG1-CZ 3.46Å; V21-F143 VanDerWaalsContact CG1-CZ 3.46Å; V21-C159 HydrophobicContact CG1-CB 3.93Å
22G79Confident84.8Confident27 Ų2730.5 Ų30.528%0.27816%0.161SC..EExtended strand (participates in β ladder)trans130.6179.8-175.500000113T19T19-G22 PolarHBondContact N-O 2.87Å; T19-G22 PolarHBondContact O-N 3.4Å; T19-G22 VanDerWaalsContact O-N 3.09Å; T19-G22 PolarHBondContact OG1-O 2.88Å
23D82.3Confident85.3Confident74 Ų7429.1 Ų29.140%0.39615%0.154SC..EExtended strand (participates in β ladder)trans-86.7123.4-179.3-70.5-10.6000110.4Q136D23-Q136 PolarHBondContact O-OE1 2.93Å; D23-Q136 VanDerWaalsContact O-OE1 3.07Å
24I84.3Confident85.8Confident0 Ų031.3 Ų31.30%017%0.166CC..EExtended strand (participates in β ladder)trans-104.9110.7177.7-60.4153.1000108.5L17 T19 I26 F116 I140L17-I24 HydrophobicContact CB-CB 4.11Å; L17-I24 PolarHBondContact N-O 2.92Å; L17-I24 PolarHBondContact O-N 2.96Å; T19-I24 HydrophobicContact CG2-CD1 3.82Å; I24-I26 HydrophobicContact CG2-CG1 4.25Å; I24-F116 HydrophobicContact CG2-CE1 4.16Å; I24-F116 HydrophobicContact CG2-CZ 4.07Å; I24-I140 HydrophobicContact CD1-CD1 3.41Å; I24-I140 VanDerWaalsContact CD1-CD1 3.41Å; I24-I140 HydrophobicContact CD1-CG1 3.59Å; I24-I140 HydrophobicContact CG1-CD1 3.87Å; I24-I140 HydrophobicContact CG1-CG1 3.95Å; I24-I140 HydrophobicContact CG2-CD1 4.12Å
25E87.6Confident86Confident42 Ų4233.7 Ų33.720%0.19618%0.177CC..EExtended strand (participates in β ladder)trans-86123.9173.5-66.8-170129.400111.4K14 G134 L135K14-E25 VanDerWaalsContact CE-OE1 3.24Å; K14-E25 WeakPolarHBondContact CE-OE1 3.45Å; K14-E25 VanDerWaalsContact CE-OE2 3.3Å; K14-E25 WeakPolarHBondContact CE-OE2 3.5Å; K14-E25 IonicContact NZ-OE1 3.22Å; K14-E25 PolarHBondContact NZ-OE1 3.46Å; K14-E25 IonicContact NZ-OE2 2.73Å; K14-E25 PolarHBondContact NZ-OE2 2.88Å; E25-G134 CarbonylContact O-C 3.53Å; E25-G134 WeakPolarHBondContact O-CA 3.42Å; E25-L135 HydrophobicContact CB-CD1 4.34Å; E25-L135 PolarHBondContact O-N 2.73Å
26I90.3Very high86.3Confident0 Ų033.7 Ų33.70%018%0.177CC..EExtended strand (participates in β ladder)trans-112125.7176.2-55.7175.5000109.2K14 V15 L17 I24 L28 F40 V99 F116 K133K14-I26 CarbonylContact C-O 3.55Å; K14-I26 VanDerWaalsContact CA-O 3.31Å; K14-I26 WeakPolarHBondContact CA-O 3.46Å; V15-I26 PolarHBondContact N-O 2.73Å; V15-I26 PolarHBondContact O-N 3.39Å; L17-I26 HydrophobicContact CD1-CD1 3.44Å; L17-I26 VanDerWaalsContact CD1-CD1 3.44Å; L17-I26 HydrophobicContact CD1-CG1 4.44Å; L17-I26 HydrophobicContact CG-CD1 3.77Å; L17-I26 HydrophobicContact CG-CG1 4.49Å; I24-I26 HydrophobicContact CG2-CG1 4.25Å; I26-L28 HydrophobicContact CG2-CD2 3.8Å; I26-F40 HydrophobicContact CD1-CE1 4.24Å; I26-F40 HydrophobicContact CD1-CZ 3.85Å; I26-V99 HydrophobicContact CD1-CG2 4.31Å; I26-V99 HydrophobicContact CG1-CG2 4.35Å; I26-V99 HydrophobicContact CG2-CG2 3.89Å; I26-F116 HydrophobicContact CD1-CE1 3.94Å; I26-F116 HydrophobicContact CD1-CZ 3.84Å; I26-F116 HydrophobicContact CG1-CE1 4.17Å; I26-F116 HydrophobicContact CG1-CZ 4.42Å; I26-K133 CarbonylContact C-O 3.48Å; I26-K133 WeakPolarHBondContact CA-O 3.38Å
27E90.5Very high86.6Confident41 Ų4132.7 Ų32.719%0.19217%0.17CC..EExtended strand (participates in β ladder)trans-95.7135.4166.5-61.7-172172.100110.2T11 G13 G132 K133 L135T11-E27 HydrophobicContact CG2-CB 3.73Å; T11-E27 PolarHBondContact OG1-OE2 2.79Å; G13-E27 WeakPolarHBondContact O-CA 3.02Å; E27-G132 CarbonylContact O-C 3.52Å; E27-G132 WeakPolarHBondContact O-CA 3.35Å; E27-K133 HydrophobicContact CB-CG 4.02Å; E27-K133 PolarHBondContact N-O 3.46Å; E27-K133 PolarHBondContact O-N 3.37Å; E27-K133 WeakPolarHBondContact OE2-CE 3.31Å; E27-K133 IonicContact OE2-NZ 3.81Å; E27-K133 PolarHBondContact OE2-NZ 2.86Å; E27-K133 VanDerWaalsContact OE2-NZ 3.09Å; E27-L135 HydrophobicContact CG-CD1 4.19Å; E27-L135 HydrophobicContact CG-CG 4.37Å
28L91.6Very high86.8Confident0 Ų035.5 Ų35.50%018%0.181CC..EExtended strand (participates in β ladder)trans-105.1142.9-172.1-59.2176.3000111.7T11 N12 G13 V15 I26 S30 F40 V41 F131 F170T11-L28 CarbonylContact C-O 3.6Å; T11-L28 WeakPolarHBondContact CA-O 3.45Å; T11-L28 WeakPolarHBondContact CB-O 3.23Å; N12-L28 CarbonylContact C-O 3.45Å; N12-L28 PolarHBondContact N-O 3.39Å; G13-L28 PolarHBondContact O-N 2.88Å; V15-L28 HydrophobicContact CG2-CD1 3.89Å; I26-L28 HydrophobicContact CG2-CD2 3.8Å; L28-S30 PolarHBondContact O-N 2.83Å; L28-F40 HydrophobicContact CD1-CD1 4.45Å; L28-F40 HydrophobicContact CD2-CD1 4.05Å; L28-F40 HydrophobicContact CD2-CE1 4.33Å; L28-V41 HydrophobicContact CD1-CG2 3.54Å; L28-F131 WeakPolarHBondContact CA-O 3.29Å; L28-F131 HydrophobicContact CD2-CD2 3.74Å; L28-F131 HydrophobicContact CD2-CE2 3.88Å; L28-F170 HydrophobicContact CD1-CE2 3.97Å; L28-F170 HydrophobicContact CD1-CZ 4.36Å
29W92.5Very high87.2Confident1 Ų132.7 Ų32.70%0.00417%0.169CC..BIsolated β-bridgetrans-95.768.3170.4-72.4-65.7000110.4E8 P9 T11 K31 E32 C33 L91 L98 I130 F131 G132 K133E8-W29 HydrophobicContact CB-CZ2 4.41Å; P9-W29 PolarHBondContact O-NE1 3.41Å; T11-W29 HydrophobicContact CG2-CD2 4.17Å; T11-W29 HydrophobicContact CG2-CG 4.11Å; T11-W29 HydrophobicContact CG2-CZ2 4.38Å; W29-K31 PolarHBondContact O-N 3.46Å; W29-E32 HydrophobicContact CB-CB 4.26Å; W29-E32 PolarHBondContact O-N 3.4Å; W29-C33 PolarHBondContact O-N 2.82Å; W29-L91 HydrophobicContact CB-CD1 4.32Å; W29-L91 HydrophobicContact CD2-CD1 4.19Å; W29-L91 HydrophobicContact CD2-CD2 3.59Å; W29-L91 HydrophobicContact CE3-CD1 4.06Å; W29-L91 HydrophobicContact CE3-CD2 3.75Å; W29-L91 HydrophobicContact CG-CD1 4.32Å; W29-L91 HydrophobicContact CG-CD2 4.16Å; W29-L91 HydrophobicContact CH2-CD2 3.93Å; W29-L91 HydrophobicContact CZ2-CD2 3.77Å; W29-L91 HydrophobicContact CZ3-CD2 3.92Å; W29-L98 HydrophobicContact CH2-CD2 3.74Å; W29-L98 HydrophobicContact CZ3-CD2 4.14Å; W29-I130 HydrophobicContact CE3-CG2 4Å; W29-I130 HydrophobicContact CZ3-CG2 3.52Å; W29-F131 PolarHBondContact N-O 2.79Å; W29-G132 WeakPolarHBondContact CZ3-O 3.47Å; W29-K133 HydrophobicContact CH2-CB 3.78Å; W29-K133 HydrophobicContact CH2-CD 4.21Å; W29-K133 HydrophobicContact CH2-CG 4.21Å; W29-K133 HydrophobicContact CZ2-CB 4.35Å; W29-K133 HydrophobicContact CZ2-CD 3.93Å; W29-K133 HydrophobicContact CZ2-CG 4.3Å; W29-K133 HydrophobicContact CZ3-CB 4.22Å
30S88.2Confident87.7Confident6 Ų632.1 Ų32.14%0.04217%0.165CC..THydrogen-bonded Turntrans-66.3-22.4-176.454.90000114.8N12 L28 P34N12-S30 WeakPolarHBondContact CB-OG 3.46Å; N12-S30 WeakPolarHBondContact O-CB 3.38Å; N12-S30 PolarHBondContact O-OG 3.21Å; L28-S30 PolarHBondContact O-N 2.83Å; S30-P34 VanDerWaalsContact O-CA 3.3Å; S30-P34 WeakPolarHBondContact O-CA 3.23Å; S30-P34 WeakPolarHBondContact O-CB 3.3Å
31K88.5Confident88.3Confident155 Ų15528.9 Ų28.967%0.67415%0.145SC*.THydrogen-bonded Turntrans-75.3-40.3175.7-68.2-174.4176.9-176.40111.5W29W29-K31 PolarHBondContact O-N 3.46Å
32E89.6Confident88.9Confident30 Ų3029.7 Ų29.714%0.1415%0.15CC..THydrogen-bonded Turntrans-84-36.5-176.9-66.973.3-164.800112.7P9 W29 P34 H88 R90 L91P9-E32 HydrophobicContact CB-CG 4.42Å; P9-E32 WeakPolarHBondContact CB-OE1 3.26Å; P9-E32 HydrophobicContact CG-CG 3.92Å; P9-E32 WeakPolarHBondContact CG-OE1 3.46Å; W29-E32 HydrophobicContact CB-CB 4.26Å; W29-E32 PolarHBondContact O-N 3.4Å; E32-P34 VanDerWaalsContact C-CD 3.5Å; E32-H88 HydrophobicContact CB-CB 4.34Å; E32-H88 WeakPolarHBondContact CG-CD2 3.49Å; E32-R90 IonicContact OE1-NH2 3.1Å; E32-R90 PolarHBondContact OE1-NH2 2.81Å; E32-R90 VanDerWaalsContact OE1-NH2 3.14Å; E32-L91 HydrophobicContact CB-CD1 3.98Å; E32-L91 HydrophobicContact CG-CD1 4.44Å
33C90.5Very high89.4Confident0 Ų028.6 Ų28.60%014%0.138CC..  trans-129.566.1-178.3-59.50000111.4W29 K35 A36 C37 E86 T129 I130 F131W29-C33 PolarHBondContact O-N 2.82Å; C33-K35 PolarHBondContact O-N 3.27Å; C33-A36 HydrophobicContact CB-CB 4.2Å; C33-C37 WeakPolarHBondContact O-CB 3.27Å; C33-C37 PolarHBondContact O-N 2.77Å; C33-C37 PolarHBondContact O-SG 3.32Å; C33-E86 WeakPolarHBondContact CA-OE2 3.35Å; C33-E86 HydrophobicContact CB-CB 4.26Å; C33-T129 HydrophobicContact CB-CG2 4.14Å; C33-I130 PolarHBondContact SG-O 3.17Å; C33-F131 HydrophobicContact CB-CB 4.01Å
34P91.2Very high89.6Confident53 Ų5325.4 Ų25.434%0.34412%0.122SC..Hα-helixtrans-63.4-40.7-174.524.7-34.2000112.6S30 E32 R38 E86S30-P34 VanDerWaalsContact O-CA 3.3Å; S30-P34 WeakPolarHBondContact O-CA 3.23Å; S30-P34 WeakPolarHBondContact O-CB 3.3Å; E32-P34 VanDerWaalsContact C-CD 3.5Å; P34-R38 VanDerWaalsContact O-CB 3.22Å; P34-R38 WeakPolarHBondContact O-CB 3.46Å; P34-R38 PolarHBondContact O-N 2.88Å; P34-E86 WeakPolarHBondContact CD-OE1 3.35Å
35K91.1Very high89.5Confident93 Ų9327 Ų2740%0.40413%0.131SC..Hα-helixtrans-69.4-44.5-178.5-70.3-164.6172.1-159.60111.5C33 R38 N39 F83 K84 E86C33-K35 PolarHBondContact O-N 3.27Å; K35-R38 PolarHBondContact O-N 3.22Å; K35-N39 VanDerWaalsContact O-CB 3.28Å; K35-N39 WeakPolarHBondContact O-CB 3.22Å; K35-N39 PolarHBondContact O-N 3.39Å; K35-F83 HydrophobicContact CB-CD2 4.19Å; K35-K84 HydrophobicContact CD-CG 4.15Å; K35-E86 WeakPolarHBondContact CB-OE1 3.41Å; K35-E86 PolarHBondContact N-OE1 3.23Å; K35-E86 PolarHBondContact N-OE2 3.46Å; K35-E86 VanDerWaalsContact N-OE2 3.14Å
36A91.9Very high89.4Confident0 Ų033 Ų330%015%0.152CC..Hα-helixtrans-63.2-43.2177.300000111.7C33 N39 F40 F83 E86 M101 T129 F131C33-A36 HydrophobicContact CB-CB 4.2Å; A36-N39 PolarHBondContact O-N 2.94Å; A36-F40 WeakPolarHBondContact O-CB 3.38Å; A36-F40 PolarHBondContact O-N 2.97Å; A36-F83 HydrophobicContact CB-CE2 3.89Å; A36-F83 HydrophobicContact CB-CZ 4.17Å; A36-E86 PolarHBondContact N-OE2 3.45Å; A36-M101 HydrophobicContact CB-CG 4.11Å; A36-M101 HydrophobicContact CB-SD 4.44Å; A36-T129 HydrophobicContact CB-CG2 3.73Å; A36-F131 HydrophobicContact CB-CB 3.67Å; A36-F131 HydrophobicContact CB-CD1 4.45Å; A36-F131 HydrophobicContact CB-CG 4.16Å
37C91.4Very high89.2Confident0 Ų034 Ų340%016%0.162CC..Hα-helixtrans-65.6-43.1177.3-67.50000112.2C33 F40 V41 F170C33-C37 WeakPolarHBondContact O-CB 3.27Å; C33-C37 PolarHBondContact O-N 2.77Å; C33-C37 PolarHBondContact O-SG 3.32Å; C37-F40 PolarHBondContact O-N 3.09Å; C37-V41 WeakPolarHBondContact O-CB 3.29Å; C37-V41 WeakPolarHBondContact O-CG2 3.45Å; C37-V41 PolarHBondContact O-N 2.62Å; C37-F170 HydrophobicContact CB-CE2 4.47Å; C37-F170 HydrophobicContact CB-CZ 4.26Å
38R88.5Confident89Confident59 Ų5935.1 Ų35.122%0.22317%0.165CC..Hα-helixtrans-62.1-46.1176.4-172.7175.4-170.1-154.30.9110.7P34 K35 T42 F79 L174 E182 E186P34-R38 VanDerWaalsContact O-CB 3.22Å; P34-R38 WeakPolarHBondContact O-CB 3.46Å; P34-R38 PolarHBondContact O-N 2.88Å; K35-R38 PolarHBondContact O-N 3.22Å; R38-T42 VanDerWaalsContact O-CB 3.25Å; R38-T42 WeakPolarHBondContact O-CB 3.48Å; R38-T42 PolarHBondContact O-N 3.47Å; R38-T42 PolarHBondContact O-OG1 3.21Å; R38-F79 HydrophobicContact CB-CZ 4.43Å; R38-F79 HydrophobicContact CG-CE1 4.49Å; R38-F79 HydrophobicContact CG-CZ 4.42Å; R38-L174 HydrophobicContact CB-CD1 4.44Å; R38-L174 HydrophobicContact CG-CD1 4.49Å; R38-L174 HydrophobicContact CG-CD2 4.36Å; R38-E182 IonicContact CZ-OE2 2.86Å; R38-E182 IonicContact NH1-OE2 3.15Å; R38-E182 PolarHBondContact NH1-OE2 3.48Å; R38-E182 IonicContact NH2-OE2 2.67Å; R38-E182 PolarHBondContact NH2-OE2 3.22Å; R38-E186 IonicContact CZ-OE1 2.81Å; R38-E186 IonicContact NE-OE1 3.33Å; R38-E186 PolarHBondContact NE-OE1 2.89Å; R38-E186 VanDerWaalsContact NE-OE1 3.12Å; R38-E186 IonicContact NH2-OE1 2.8Å; R38-E186 PolarHBondContact NH2-OE1 3.28Å
39N91.2Very high88.8Confident0 Ų035.1 Ų35.10%017%0.165CC..Hα-helixtrans-56.3-54.2175.3179.763.7000111.3K35 A36 V41 T42 L43 S77 A78 F79 F83 G111K35-N39 VanDerWaalsContact O-CB 3.28Å; K35-N39 WeakPolarHBondContact O-CB 3.22Å; K35-N39 PolarHBondContact O-N 3.39Å; A36-N39 PolarHBondContact O-N 2.94Å; N39-V41 PolarHBondContact O-N 3.09Å; N39-T42 PolarHBondContact O-N 3.36Å; N39-L43 WeakPolarHBondContact O-CG 3.26Å; N39-L43 PolarHBondContact O-N 3.49Å; N39-S77 VanDerWaalsContact OD1-CA 3.32Å; N39-S77 WeakPolarHBondContact OD1-CA 3.32Å; N39-S77 WeakPolarHBondContact OD1-CB 3.22Å; N39-A78 PolarHBondContact OD1-N 2.99Å; N39-F79 HydrophobicContact CB-CE2 3.81Å; N39-F79 HydrophobicContact CB-CZ 4.25Å; N39-F83 HydrophobicContact CB-CE1 3.95Å; N39-F83 HydrophobicContact CB-CZ 4.23Å; N39-F83 WeakPolarHBondContact ND2-CE1 3.3Å; N39-G111 PolarHBondContact ND2-O 3.23Å
40F91.3Very high88.5Confident0 Ų038.4 Ų38.40%018%0.183CC..Hα-helixtrans-57.6-53.8-179-175.7-108.8000111.1V15 L17 I26 L28 A36 C37 T42 L43 C44 Y49 F114 F131V15-F40 HydrophobicContact CB-CE1 4.01Å; V15-F40 HydrophobicContact CG1-CE1 3.65Å; V15-F40 HydrophobicContact CG1-CZ 4.23Å; V15-F40 HydrophobicContact CG2-CD1 4.41Å; V15-F40 HydrophobicContact CG2-CE1 4.12Å; L17-F40 HydrophobicContact CD1-CZ 4.41Å; L17-F40 HydrophobicContact CD2-CZ 4.12Å; I26-F40 HydrophobicContact CD1-CE1 4.24Å; I26-F40 HydrophobicContact CD1-CZ 3.85Å; L28-F40 HydrophobicContact CD1-CD1 4.45Å; L28-F40 HydrophobicContact CD2-CD1 4.05Å; L28-F40 HydrophobicContact CD2-CE1 4.33Å; A36-F40 WeakPolarHBondContact O-CB 3.38Å; A36-F40 PolarHBondContact O-N 2.97Å; C37-F40 PolarHBondContact O-N 3.09Å; F40-T42 VanDerWaalsContact C-N 3.31Å; F40-T42 PolarHBondContact O-N 3.49Å; F40-L43 PolarHBondContact O-N 2.98Å; F40-C44 WeakPolarHBondContact O-CB 3.38Å; F40-C44 PolarHBondContact O-N 3.16Å; F40-C44 PolarHBondContact O-SG 3.4Å; F40-Y49 AromaticContact CD2-CE2 3.76Å; F40-Y49 HydrophobicContact CD2-CE2 3.76Å; F40-Y49 HydrophobicContact CE2-CD2 4.5Å; F40-Y49 AromaticContact CE2-CE2 3.81Å; F40-Y49 HydrophobicContact CE2-CE2 3.81Å; F40-F114 HydrophobicContact CD2-CD1 4.39Å; F40-F114 AromaticContact CE2-CD1 3.98Å; F40-F114 HydrophobicContact CE2-CD1 3.98Å; F40-F114 AromaticContact CE2-CE1 3.9Å; F40-F114 HydrophobicContact CE2-CE1 3.9Å; F40-F114 HydrophobicContact CE2-CG 4.4Å; F40-F114 HydrophobicContact CE2-CZ 4.25Å; F40-F131 HydrophobicContact CB-CE2 3.99Å; F40-F131 HydrophobicContact CB-CZ 4.48Å; F40-F131 AromaticContact CD1-CE2 3.88Å; F40-F131 HydrophobicContact CD1-CE2 3.88Å; F40-F131 AromaticContact CD2-CE2 3.96Å; F40-F131 HydrophobicContact CD2-CE2 3.96Å; F40-F131 AromaticContact CD2-CZ 3.92Å; F40-F131 HydrophobicContact CD2-CZ 3.92Å; F40-F131 HydrophobicContact CE1-CE2 4.32Å; F40-F131 HydrophobicContact CE2-CE2 4.41Å; F40-F131 HydrophobicContact CE2-CZ 4.29Å; F40-F131 AromaticContact CG-CE2 3.67Å; F40-F131 HydrophobicContact CG-CE2 3.67Å; F40-F131 HydrophobicContact CG-CZ 4.11Å
41V88.1Confident88.3Confident4 Ų443 Ų432%0.02421%0.207CC..Hα-helixtrans-62.9-36.6-179.2174.70000112.3V15 L28 C37 N39 C44 V45 F170 F171V15-V41 HydrophobicContact CG2-CG2 3.99Å; L28-V41 HydrophobicContact CD1-CG2 3.54Å; C37-V41 WeakPolarHBondContact O-CB 3.29Å; C37-V41 WeakPolarHBondContact O-CG2 3.45Å; C37-V41 PolarHBondContact O-N 2.62Å; N39-V41 PolarHBondContact O-N 3.09Å; V41-C44 VanDerWaalsContact O-CB 3.32Å; V41-C44 WeakPolarHBondContact O-CB 3.11Å; V41-C44 PolarHBondContact O-N 3.05Å; V41-V45 HydrophobicContact CG1-CG2 4.33Å; V41-V45 WeakPolarHBondContact O-CG2 3.21Å; V41-V45 PolarHBondContact O-N 2.87Å; V41-F170 HydrophobicContact CB-CD1 4.44Å; V41-F170 HydrophobicContact CB-CE1 3.74Å; V41-F170 HydrophobicContact CB-CZ 4.19Å; V41-F170 HydrophobicContact CG1-CD1 3.96Å; V41-F170 HydrophobicContact CG1-CE1 3.69Å; V41-F170 HydrophobicContact CG2-CD1 4.14Å; V41-F170 HydrophobicContact CG2-CE1 3.54Å; V41-F170 HydrophobicContact CG2-CE2 4.31Å; V41-F170 HydrophobicContact CG2-CZ 3.62Å; V41-F171 HydrophobicContact CG1-CZ 4.24Å
42T88Confident88.2Confident39 Ų3936 Ų3624%0.23918%0.177CC..Hα-helixtrans-66.1-45.7177.5-55.30000111.3R38 N39 F40 C44 V45 R46 A78R38-T42 VanDerWaalsContact O-CB 3.25Å; R38-T42 WeakPolarHBondContact O-CB 3.48Å; R38-T42 PolarHBondContact O-N 3.47Å; R38-T42 PolarHBondContact O-OG1 3.21Å; N39-T42 PolarHBondContact O-N 3.36Å; F40-T42 VanDerWaalsContact C-N 3.31Å; F40-T42 PolarHBondContact O-N 3.49Å; T42-C44 PolarHBondContact O-N 2.79Å; T42-V45 PolarHBondContact O-N 3.07Å; T42-R46 WeakPolarHBondContact O-CB 3.35Å; T42-R46 WeakPolarHBondContact O-CG 3.37Å; T42-R46 PolarHBondContact O-N 3.23Å; T42-A78 HydrophobicContact CG2-CB 3.64Å
43L89.7Confident88Confident3 Ų336.3 Ų36.32%0.01618%0.179CC..Hα-helixtrans-61.4-36.8174.2-68.7175.7000111.5N39 F40 G47 Y48 Y49 A78N39-L43 WeakPolarHBondContact O-CG 3.26Å; N39-L43 PolarHBondContact O-N 3.49Å; F40-L43 PolarHBondContact O-N 2.98Å; L43-G47 PolarHBondContact O-N 3.18Å; L43-Y48 HydrophobicContact CD1-CD1 4.48Å; L43-Y48 HydrophobicContact CD2-CD1 3.96Å; L43-Y48 HydrophobicContact CD2-CD2 4.1Å; L43-Y48 HydrophobicContact CD2-CE1 4.44Å; L43-Y48 HydrophobicContact CD2-CG 3.75Å; L43-Y48 WeakPolarHBondContact O-CB 3.36Å; L43-Y48 PolarHBondContact O-N 2.95Å; L43-Y49 HydrophobicContact CB-CD2 4.17Å; L43-Y49 HydrophobicContact CB-CE2 3.57Å; L43-Y49 HydrophobicContact CD1-CE1 4.46Å; L43-Y49 HydrophobicContact CD1-CE2 4.3Å; L43-Y49 WeakPolarHBondContact CD1-OH 3.32Å; L43-A78 HydrophobicContact CD2-CB 4.1Å; L43-A78 HydrophobicContact CG-CB 4.14Å
44C86.3Confident87.7Confident8 Ų836.9 Ų36.95%0.05418%0.182CC..Hα-helixtrans-63.2-47.6175.5-66.40000112.9F40 V41 T42 R46 G47 I164F40-C44 WeakPolarHBondContact O-CB 3.38Å; F40-C44 PolarHBondContact O-N 3.16Å; F40-C44 PolarHBondContact O-SG 3.4Å; V41-C44 VanDerWaalsContact O-CB 3.32Å; V41-C44 WeakPolarHBondContact O-CB 3.11Å; V41-C44 PolarHBondContact O-N 3.05Å; T42-C44 PolarHBondContact O-N 2.79Å; C44-R46 VanDerWaalsContact C-N 3.34Å; C44-G47 PolarHBondContact O-N 3.34Å; C44-G47 VanDerWaalsContact O-N 3.11Å; C44-I164 HydrophobicContact CB-CB 4.02Å; C44-I164 HydrophobicContact CB-CD1 3.37Å; C44-I164 HydrophobicContact CB-CG1 4.27Å; C44-I164 HydrophobicContact CB-CG2 3.64Å; C44-I164 WeakPolarHBondContact SG-CD1 3.47Å
45V82.9Confident87.4Confident33 Ų3336.6 Ų36.620%0.218%0.176CC..Hα-helixtrans-65.8-38.5179169.40000111.2V41 T42 G47 F171 A193V41-V45 HydrophobicContact CG1-CG2 4.33Å; V41-V45 WeakPolarHBondContact O-CG2 3.21Å; V41-V45 PolarHBondContact O-N 2.87Å; T42-V45 PolarHBondContact O-N 3.07Å; V45-G47 PolarHBondContact O-N 2.87Å; V45-F171 HydrophobicContact CG2-CZ 4.15Å; V45-A193 HydrophobicContact CG1-CB 3.78Å; V45-A193 HydrophobicContact CG2-CB 3.98Å
46R84.4Confident87.1Confident168 Ų16837.4 Ų37.463%0.63418%0.176SC*.THydrogen-bonded Turntrans-67.7-8.5174.4-71.6-179.5178.8172.82.9113.4T42 C44 Y48 A78T42-R46 WeakPolarHBondContact O-CB 3.35Å; T42-R46 WeakPolarHBondContact O-CG 3.37Å; T42-R46 PolarHBondContact O-N 3.23Å; C44-R46 VanDerWaalsContact C-N 3.34Å; R46-Y48 PolarHBondContact O-N 3.27Å; R46-A78 PolarHBondContact NH1-O 2.96Å
47G85.3Confident86.7Confident21 Ų2139 Ų3922%0.21619%0.186CC..THydrogen-bonded Turntrans67.519.8-174.500000113.3L43 C44 V45 Y49 N50L43-G47 PolarHBondContact O-N 3.18Å; C44-G47 PolarHBondContact O-N 3.34Å; C44-G47 VanDerWaalsContact O-N 3.11Å; V45-G47 PolarHBondContact O-N 2.87Å; G47-Y49 PolarHBondContact O-N 3.23Å; G47-N50 WeakPolarHBondContact CA-ND2 3.23Å; G47-N50 WeakPolarHBondContact O-CB 3.29Å; G47-N50 VanDerWaalsContact O-CG 3.27Å; G47-N50 PolarHBondContact O-N 3.25Å; G47-N50 PolarHBondContact O-ND2 3.08Å
48Y87Confident86.3Confident65 Ų6542.1 Ų42.126%0.25520%0.201SC..THydrogen-bonded Turntrans-60.9-32.7-177.1-174.4-93.2000112.4L43 R46 N50 P68 G75 E76L43-Y48 HydrophobicContact CD1-CD1 4.48Å; L43-Y48 HydrophobicContact CD2-CD1 3.96Å; L43-Y48 HydrophobicContact CD2-CD2 4.1Å; L43-Y48 HydrophobicContact CD2-CE1 4.44Å; L43-Y48 HydrophobicContact CD2-CG 3.75Å; L43-Y48 WeakPolarHBondContact O-CB 3.36Å; L43-Y48 PolarHBondContact O-N 2.95Å; R46-Y48 PolarHBondContact O-N 3.27Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-P68 HydrophobicContact CE1-CB 4.39Å; Y48-P68 HydrophobicContact CE1-CG 3.83Å; Y48-P68 HydrophobicContact CE2-CG 4.34Å; Y48-P68 WeakPolarHBondContact OH-CG 3.43Å; Y48-G75 WeakPolarHBondContact OH-CA 3.23Å; Y48-E76 PolarHBondContact OH-N 3.11Å
49Y87.8Confident86Confident0 Ų043.8 Ų43.80%022%0.219CC..THydrogen-bonded Turntrans-82.5-5.6177.7-61.8-57.2000113.7F40 L43 G47 N51 T52 S112 F114 L161 I164F40-Y49 AromaticContact CD2-CE2 3.76Å; F40-Y49 HydrophobicContact CD2-CE2 3.76Å; F40-Y49 HydrophobicContact CE2-CD2 4.5Å; F40-Y49 AromaticContact CE2-CE2 3.81Å; F40-Y49 HydrophobicContact CE2-CE2 3.81Å; L43-Y49 HydrophobicContact CB-CD2 4.17Å; L43-Y49 HydrophobicContact CB-CE2 3.57Å; L43-Y49 HydrophobicContact CD1-CE1 4.46Å; L43-Y49 HydrophobicContact CD1-CE2 4.3Å; L43-Y49 WeakPolarHBondContact CD1-OH 3.32Å; G47-Y49 PolarHBondContact O-N 3.23Å; Y49-N51 PolarHBondContact O-N 3.39Å; Y49-T52 WeakPolarHBondContact O-CB 3.34Å; Y49-T52 VanDerWaalsContact O-CG2 3.32Å; Y49-T52 WeakPolarHBondContact O-CG2 3.26Å; Y49-T52 PolarHBondContact O-N 2.86Å; Y49-T52 PolarHBondContact O-OG1 2.98Å; Y49-S112 WeakPolarHBondContact CE1-O 3.23Å; Y49-S112 PolarHBondContact OH-O 3.46Å; Y49-F114 HydrophobicContact CD1-CE1 4.01Å; Y49-F114 HydrophobicContact CE1-CD1 4.03Å; Y49-F114 AromaticContact CE1-CE1 3.65Å; Y49-F114 HydrophobicContact CE1-CE1 3.65Å; Y49-F114 HydrophobicContact CE2-CE1 4.33Å; Y49-F114 HydrophobicContact CG-CE1 4.5Å; Y49-F114 AromaticContact CZ-CD1 4Å; Y49-F114 AromaticContact CZ-CE1 3.81Å; Y49-L161 HydrophobicContact CG-CD2 4.45Å; Y49-L161 VanDerWaalsContact O-CB 3.27Å; Y49-L161 WeakPolarHBondContact O-CB 3.24Å; Y49-I164 HydrophobicContact CD2-CD1 4.09Å
50N84.8Confident85.5Confident69 Ų6946 Ų4637%0.36924%0.242SC..THydrogen-bonded Turntrans-62.9132.5-179.7-65.4-13.4000110.4G47 Y48 T52 L161G47-N50 WeakPolarHBondContact CA-ND2 3.23Å; G47-N50 WeakPolarHBondContact O-CB 3.29Å; G47-N50 VanDerWaalsContact O-CG 3.27Å; G47-N50 PolarHBondContact O-N 3.25Å; G47-N50 PolarHBondContact O-ND2 3.08Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; N50-T52 PolarHBondContact O-N 3.05Å; N50-L161 CarbonylContact C-O 3.44Å; N50-L161 VanDerWaalsContact CA-O 3.3Å; N50-L161 WeakPolarHBondContact CA-O 2.86Å
51N83.9Confident85.3Confident104 Ų10448.1 Ų48.156%0.55625%0.251SS*.THydrogen-bonded Turntrans59.419.8-174.3-53.6-43.3000114.8Y49 L160 L161Y49-N51 PolarHBondContact O-N 3.39Å; N51-L160 HydrophobicContact CB-CD2 4.39Å; N51-L160 WeakPolarHBondContact O-CD2 3.44Å; N51-L161 PolarHBondContact N-O 2.84Å
52T86.7Confident85.4Confident8 Ų848.3 Ų48.35%0.04925%0.252CS..  trans-80145.5170.863.70000111.1Y49 N50 P68 L161Y49-T52 WeakPolarHBondContact O-CB 3.34Å; Y49-T52 VanDerWaalsContact O-CG2 3.32Å; Y49-T52 WeakPolarHBondContact O-CG2 3.26Å; Y49-T52 PolarHBondContact O-N 2.86Å; Y49-T52 PolarHBondContact O-OG1 2.98Å; N50-T52 PolarHBondContact O-N 3.05Å; T52-P68 HydrophobicContact CG2-CB 4.28Å; T52-L161 PolarHBondContact O-N 2.88Å
53I85.4Confident85.5Confident36 Ų3646.5 Ų46.519%0.18524%0.241CC..BIsolated β-bridgetrans-101.5156-179.364.2169.3000111.5H55 E158 L160I53-H55 HydrophobicContact CD1-CB 4.34Å; I53-H55 HydrophobicContact CG1-CB 4.38Å; I53-H55 PolarHBondContact O-N 2.91Å; I53-E158 HydrophobicContact CB-CG 4.37Å; I53-E158 HydrophobicContact CG2-CB 3.78Å; I53-E158 HydrophobicContact CG2-CG 3.77Å; I53-L160 HydrophobicContact CG2-CD2 3.79Å
54F85.5Confident85.5Confident11 Ų1147.2 Ų47.25%0.04824%0.244CC..  trans-85.892.9164-66.8-82.3000109.4T19 V63 Q64 F114 F116 F144 C159T19-F54 HydrophobicContact CG2-CE2 4.34Å; F54-V63 HydrophobicContact CB-CG1 4.04Å; F54-V63 HydrophobicContact CD1-CG1 3.62Å; F54-V63 HydrophobicContact CE1-CG1 4.34Å; F54-V63 HydrophobicContact CG-CG1 3.98Å; F54-Q64 CarbonylContact C-O 3.49Å; F54-Q64 VanDerWaalsContact CA-O 3.31Å; F54-Q64 WeakPolarHBondContact CA-O 3.3Å; F54-F114 HydrophobicContact CE1-CE2 4.21Å; F54-F116 HydrophobicContact CE1-CD2 4.04Å; F54-F116 AromaticContact CE1-CE2 3.76Å; F54-F116 HydrophobicContact CE1-CE2 3.76Å; F54-F116 AromaticContact CZ-CE2 3.99Å; F54-F116 HydrophobicContact CZ-CE2 3.99Å; F54-F144 HydrophobicContact CB-CZ 3.82Å; F54-F144 HydrophobicContact CD2-CZ 4.35Å; F54-F144 HydrophobicContact CG-CZ 4.25Å; F54-C159 HydrophobicContact CD2-CB 3.61Å; F54-C159 WeakPolarHBondContact CD2-O 3.2Å; F54-C159 HydrophobicContact CE2-CB 4.09Å; F54-C159 VanDerWaalsContact CE2-SG 3.53Å
55H84.2Confident85.7Confident48 Ų4846.8 Ų46.822%0.22224%0.242CC..  trans-76.6-20-171.757.4-92.7000113.8I53 Q64 G72I53-H55 HydrophobicContact CD1-CB 4.34Å; I53-H55 HydrophobicContact CG1-CB 4.38Å; I53-H55 PolarHBondContact O-N 2.91Å; H55-Q64 PolarHBondContact N-O 2.82Å; H55-G72 WeakPolarHBondContact NE2-CA 3.46Å
56R84.1Confident85.9Confident110 Ų11045.3 Ų45.342%0.41523%0.233SC..EExtended strand (participates in β ladder)trans-132.6128-179.9176.7-170-173.8-178.43.3111.3E58 V63 Q64R56-E58 IonicContact CZ-OE1 3.14Å; R56-E58 IonicContact NE-OE1 2.65Å; R56-E58 PolarHBondContact NE-OE1 2.94Å; R56-E58 IonicContact NH2-OE1 3.77Å; R56-E58 PolarHBondContact NH2-OE1 3.33Å; R56-V63 CarbonylContact O-C 3.5Å; R56-Q64 HydrophobicContact CB-CB 4.13Å; R56-Q64 VanDerWaalsContact CD-OE1 3.25Å; R56-Q64 PolarHBondContact N-O 3.41Å; R56-Q64 PolarHBondContact O-N 2.68Å
57V84.2Confident86.1Confident34 Ų3437.3 Ų37.321%0.20620%0.203CC..EExtended strand (participates in β ladder)trans-135.6114.9-177.2178.70000107.7V63 F144 L148V57-V63 HydrophobicContact CG1-CG2 4.24Å; V57-V63 HydrophobicContact CG2-CG1 4.29Å; V57-F144 HydrophobicContact CB-CD1 4.16Å; V57-F144 HydrophobicContact CG1-CB 3.76Å; V57-F144 HydrophobicContact CG1-CD1 3.7Å; V57-F144 HydrophobicContact CG1-CE1 4.49Å; V57-F144 HydrophobicContact CG1-CG 3.77Å; V57-F144 HydrophobicContact CG2-CD1 3.42Å; V57-F144 VanDerWaalsContact CG2-CD1 3.42Å; V57-F144 HydrophobicContact CG2-CE1 3.36Å; V57-F144 HydrophobicContact CG2-CG 4.07Å; V57-F144 HydrophobicContact CG2-CZ 3.95Å; V57-L148 HydrophobicContact CG1-CD1 4.15Å
58E84Confident86.1Confident65 Ų6539.3 Ų39.330%0.30421%0.212SC..EExtended strand (participates in β ladder)trans-115.1104.1173.9-70.8-176.3-157.400108.6R56 G60 F61 I62R56-E58 IonicContact CZ-OE1 3.14Å; R56-E58 IonicContact NE-OE1 2.65Å; R56-E58 PolarHBondContact NE-OE1 2.94Å; R56-E58 IonicContact NH2-OE1 3.77Å; R56-E58 PolarHBondContact NH2-OE1 3.33Å; E58-G60 PolarHBondContact O-N 2.86Å; E58-F61 HydrophobicContact CB-CB 3.91Å; E58-F61 HydrophobicContact CB-CD1 4.25Å; E58-F61 PolarHBondContact O-N 3.26Å; E58-F61 WeakPolarHBondContact OE2-CD1 3.49Å; E58-I62 PolarHBondContact N-O 3.39Å; E58-I62 PolarHBondContact O-N 2.78Å
59P80.9Confident86.2Confident93 Ų9340.1 Ų40.160%0.60422%0.224SC*.THydrogen-bonded Turntrans-59.2128.1-173.821.5-31.4000111.2F61 L148P59-F61 PolarHBondContact O-N 3.07Å; P59-L148 HydrophobicContact CB-CD1 3.9Å; P59-L148 HydrophobicContact CG-CD1 3.67Å
60G82Confident85.9Confident48 Ų4841.2 Ų41.250%0.49524%0.235SC..THydrogen-bonded Turntrans80.8-6.7-17600000115.2E58 G119E58-G60 PolarHBondContact O-N 2.86Å; G60-G119 WeakPolarHBondContact O-CA 3.46Å; G60-G119 PolarHBondContact O-N 3.09Å
61F86.9Confident85.9Confident43 Ų4342.7 Ų42.719%0.18925%0.247CC..THydrogen-bonded Turntrans-114.3-84.6-179.3-170.3-123.1000112E58 P59 L118 T121 E123 L124E58-F61 HydrophobicContact CB-CB 3.91Å; E58-F61 HydrophobicContact CB-CD1 4.25Å; E58-F61 PolarHBondContact O-N 3.26Å; E58-F61 WeakPolarHBondContact OE2-CD1 3.49Å; P59-F61 PolarHBondContact O-N 3.07Å; F61-L118 PolarHBondContact O-N 3.02Å; F61-T121 HydrophobicContact CD2-CG2 3.33Å; F61-T121 HydrophobicContact CE2-CG2 3.32Å; F61-T121 HydrophobicContact CG-CG2 4.36Å; F61-T121 HydrophobicContact CZ-CG2 4.39Å; F61-E123 HydrophobicContact CE2-CG 4.17Å; F61-E123 WeakPolarHBondContact CE2-OE1 3.35Å; F61-E123 HydrophobicContact CZ-CG 4.24Å; F61-L124 HydrophobicContact CE2-CD1 4.42Å; F61-L124 HydrophobicContact CZ-CD1 4.04Å; F61-L124 HydrophobicContact CZ-CD2 4.14Å; F61-L124 HydrophobicContact CZ-CG 4.16Å
62I90Very high85.9Confident9 Ų938.8 Ų38.85%0.04623%0.231CC..EExtended strand (participates in β ladder)trans-140.3154.2-176.367.4179.2000113E58 F115 F116 L124E58-I62 PolarHBondContact N-O 3.39Å; E58-I62 PolarHBondContact O-N 2.78Å; I62-F115 HydrophobicContact CB-CB 4.41Å; I62-F115 HydrophobicContact CB-CD2 4.05Å; I62-F115 HydrophobicContact CB-CG 4.5Å; I62-F115 HydrophobicContact CG2-CD2 3.69Å; I62-F115 HydrophobicContact CG2-CE2 4.01Å; I62-F116 CarbonylContact C-O 3.57Å; I62-F116 VanDerWaalsContact CA-O 3.24Å; I62-F116 WeakPolarHBondContact CA-O 3.42Å; I62-L124 HydrophobicContact CG2-CD1 4.05Å
63V89.1Confident85.7Confident0 Ų044.1 Ų44.10%027%0.268CS..EExtended strand (participates in β ladder)trans-121.2117.2165.7177.40000107.9F54 R56 V57 F115 F116 L118 I140 F144F54-V63 HydrophobicContact CB-CG1 4.04Å; F54-V63 HydrophobicContact CD1-CG1 3.62Å; F54-V63 HydrophobicContact CE1-CG1 4.34Å; F54-V63 HydrophobicContact CG-CG1 3.98Å; R56-V63 CarbonylContact O-C 3.5Å; V57-V63 HydrophobicContact CG1-CG2 4.24Å; V57-V63 HydrophobicContact CG2-CG1 4.29Å; V63-F115 CarbonylContact O-C 3.55Å; V63-F115 WeakPolarHBondContact O-CA 3.43Å; V63-F115 WeakPolarHBondContact O-CB 3.25Å; V63-F116 HydrophobicContact CB-CB 4.49Å; V63-F116 PolarHBondContact N-O 2.8Å; V63-F116 PolarHBondContact O-N 2.81Å; V63-L118 HydrophobicContact CG2-CD1 3.56Å; V63-L118 HydrophobicContact CG2-CD2 3.91Å; V63-L118 HydrophobicContact CG2-CG 3.82Å; V63-I140 HydrophobicContact CB-CG2 4.38Å; V63-I140 HydrophobicContact CG1-CG2 4.32Å; V63-I140 HydrophobicContact CG2-CG2 4.05Å; V63-F144 HydrophobicContact CG1-CD2 4.22Å; V63-F144 HydrophobicContact CG1-CE2 3.78Å; V63-F144 HydrophobicContact CG1-CZ 4.25Å; V63-F144 HydrophobicContact CG2-CD2 4.19Å
64Q90.1Very high85.7Confident18 Ų1843.2 Ų43.28%0.08427%0.267CS..EExtended strand (participates in β ladder)trans-109.6138.4-174.6179.6-178.1-10.900110.8F54 H55 R56 A102 F114 F115F54-Q64 CarbonylContact C-O 3.49Å; F54-Q64 VanDerWaalsContact CA-O 3.31Å; F54-Q64 WeakPolarHBondContact CA-O 3.3Å; H55-Q64 PolarHBondContact N-O 2.82Å; R56-Q64 HydrophobicContact CB-CB 4.13Å; R56-Q64 VanDerWaalsContact CD-OE1 3.25Å; R56-Q64 PolarHBondContact N-O 3.41Å; R56-Q64 PolarHBondContact O-N 2.68Å; Q64-A102 HydrophobicContact CG-CB 4.4Å; Q64-F114 WeakPolarHBondContact CA-O 3.49Å; Q64-F115 HydrophobicContact CB-CB 3.98Å; Q64-F115 HydrophobicContact CG-CB 4.42Å
65G90.3Very high85.7Confident0 Ų044 Ų440%028%0.278CS..EExtended strand (participates in β ladder)trans-156.1-167.6-179.200000111.9Q113 F114G65-Q113 WeakPolarHBondContact O-CA 3.35Å; G65-F114 PolarHBondContact N-O 3.43Å; G65-F114 PolarHBondContact O-N 3.28Å; G65-F114 VanDerWaalsContact O-O 3.08Å
66G86.9Confident86Confident1 Ų148.3 Ų48.31%0.0130%0.298CS..  trans82.819-18000000114.8S112G66-S112 WeakPolarHBondContact O-CB 3.32Å; G66-S112 PolarHBondContact O-OG 2.93Å
67D89.4Confident86.3Confident0 Ų043.6 Ų43.60%028%0.282CS..BIsolated β-bridgetrans-99.9114.6167.5-178.1-3.4000109.1T69 G70 T71 G72 C73 G74 Q113D67-T69 PolarHBondContact O-N 2.93Å; D67-T69 WeakPolarHBondContact OD1-CB 3.35Å; D67-T69 PolarHBondContact OD1-N 2.94Å; D67-T69 PolarHBondContact OD1-OG1 3.48Å; D67-T69 PolarHBondContact OD2-OG1 2.89Å; D67-G70 PolarHBondContact O-N 3.41Å; D67-T71 PolarHBondContact OD2-N 2.92Å; D67-T71 PolarHBondContact OD2-OG1 2.65Å; D67-G72 VanDerWaalsContact OD2-CA 3.29Å; D67-G72 WeakPolarHBondContact OD2-CA 3.38Å; D67-G72 PolarHBondContact OD2-N 3.05Å; D67-C73 PolarHBondContact OD2-N 3.03Å; D67-G74 VanDerWaalsContact OD1-CA 3.27Å; D67-G74 WeakPolarHBondContact OD1-CA 3.19Å; D67-G74 PolarHBondContact OD2-N 3.34Å; D67-Q113 HydrophobicContact CB-CG 4.13Å
68P86Confident86.5Confident63 Ų6342.6 Ų42.641%0.40928%0.278SS..THydrogen-bonded Turntrans-68-21.8178.132.2-39.3000113.5Y48 T52 G70Y48-P68 HydrophobicContact CE1-CB 4.39Å; Y48-P68 HydrophobicContact CE1-CG 3.83Å; Y48-P68 HydrophobicContact CE2-CG 4.34Å; Y48-P68 WeakPolarHBondContact OH-CG 3.43Å; T52-P68 HydrophobicContact CG2-CB 4.28Å; P68-G70 VanDerWaalsContact C-N 3.32Å
69T87.4Confident86.7Confident82 Ų8243.3 Ų43.350%0.50328%0.28SS..THydrogen-bonded Turntrans-80.8-17.4176.171.70000112.2D67 T71D67-T69 PolarHBondContact O-N 2.93Å; D67-T69 WeakPolarHBondContact OD1-CB 3.35Å; D67-T69 PolarHBondContact OD1-N 2.94Å; D67-T69 PolarHBondContact OD1-OG1 3.48Å; D67-T69 PolarHBondContact OD2-OG1 2.89Å; T69-T71 PolarHBondContact O-N 3.37Å; T69-T71 VanDerWaalsContact O-N 3.15Å; T69-T71 PolarHBondContact OG1-N 3.2Å; T69-T71 PolarHBondContact OG1-OG1 3.15Å
70G82.6Confident87Confident24 Ų2442 Ų4225%0.24728%0.284CS..SBendtrans67.32.9-174.400000114.9D67 P68D67-G70 PolarHBondContact O-N 3.41Å; P68-G70 VanDerWaalsContact C-N 3.32Å
71T84.8Confident87.4Confident99 Ų9946.3 Ų46.361%0.60729%0.291SS*.SBendtrans-81.2-22.2-175.263.20000113.1D67 T69 C73D67-T71 PolarHBondContact OD2-N 2.92Å; D67-T71 PolarHBondContact OD2-OG1 2.65Å; T69-T71 PolarHBondContact O-N 3.37Å; T69-T71 VanDerWaalsContact O-N 3.15Å; T69-T71 PolarHBondContact OG1-N 3.2Å; T69-T71 PolarHBondContact OG1-OG1 3.15Å; T71-C73 VanDerWaalsContact C-N 3.3Å; T71-C73 PolarHBondContact OG1-N 2.76Å
72G82.9Confident87.5Confident22 Ų2248.3 Ų48.323%0.22731%0.308CS..SBendtrans86.5-5.8-170.600000113.9H55 D67 Q113H55-G72 WeakPolarHBondContact NE2-CA 3.46Å; D67-G72 VanDerWaalsContact OD2-CA 3.29Å; D67-G72 WeakPolarHBondContact OD2-CA 3.38Å; D67-G72 PolarHBondContact OD2-N 3.05Å; G72-Q113 VanDerWaalsContact C-NE2 3.31Å; G72-Q113 PolarHBondContact O-NE2 3.37Å
73C83.2Confident87.5Confident121 Ų12148.4 Ų48.482%0.81831%0.308SS*.SBendtrans-109.4-9.6178.5-630000113.4D67 T71D67-C73 PolarHBondContact OD2-N 3.03Å; T71-C73 VanDerWaalsContact C-N 3.3Å; T71-C73 PolarHBondContact OG1-N 2.76Å
74G84.7Confident87.6Confident17 Ų1753.6 Ų53.618%0.17533%0.331CS..  trans-90.9179.6-178.600000113.2D67 Q113D67-G74 VanDerWaalsContact OD1-CA 3.27Å; D67-G74 WeakPolarHBondContact OD1-CA 3.19Å; D67-G74 PolarHBondContact OD2-N 3.34Å; G74-Q113 PolarHBondContact O-NE2 3.13Å
75G86.8Confident87.7Confident27 Ų2753.4 Ų53.428%0.27833%0.331SS..  trans112.2123.1174.300000113.5Y48 S112Y48-G75 WeakPolarHBondContact OH-CA 3.23Å; G75-S112 WeakPolarHBondContact CA-OG 3.31Å
76E89.8Confident87.7Confident139 Ų13954.4 Ų54.465%0.6534%0.335SS*.  trans-117.3146-176.5-66.7178.6176.700109.9Y48 S112Y48-E76 PolarHBondContact OH-N 3.11Å; E76-S112 WeakPolarHBondContact O-CB 3.41Å
77S91.3Very high87.8Confident10 Ų1059 Ų597%0.0736%0.355CS..  trans-69.1158.1173.580.80000110.1N39 F79 G80 E81N39-S77 VanDerWaalsContact OD1-CA 3.32Å; N39-S77 WeakPolarHBondContact OD1-CA 3.32Å; N39-S77 WeakPolarHBondContact OD1-CB 3.22Å; S77-F79 PolarHBondContact O-N 3.26Å; S77-F79 VanDerWaalsContact O-N 3.12Å; S77-F79 PolarHBondContact OG-N 2.86Å; S77-F79 VanDerWaalsContact OG-N 3.17Å; S77-G80 PolarHBondContact O-N 3.34Å; S77-G80 VanDerWaalsContact O-N 3.16Å; S77-G80 PolarHBondContact OG-N 2.88Å; S77-E81 WeakPolarHBondContact CB-O 3.16Å; S77-E81 PolarHBondContact OG-N 3.25Å; S77-E81 PolarHBondContact OG-O 3.04Å
78A87.9Confident87.8Confident14 Ų1461.4 Ų61.412%0.11637%0.366CS..THydrogen-bonded Turntrans-60.7-1917100000113.1N39 T42 L43 R46N39-A78 PolarHBondContact OD1-N 2.99Å; T42-A78 HydrophobicContact CG2-CB 3.64Å; L43-A78 HydrophobicContact CD2-CB 4.1Å; L43-A78 HydrophobicContact CG-CB 4.14Å; R46-A78 PolarHBondContact NH1-O 2.96Å
79F87.8Confident87.9Confident79 Ų7963.2 Ų63.235%0.34638%0.381SS..THydrogen-bonded Turntrans-85.5-8.2-179.5-49.2-63.2000113.3R38 N39 S77 E81 F83R38-F79 HydrophobicContact CB-CZ 4.43Å; R38-F79 HydrophobicContact CG-CE1 4.49Å; R38-F79 HydrophobicContact CG-CZ 4.42Å; N39-F79 HydrophobicContact CB-CE2 3.81Å; N39-F79 HydrophobicContact CB-CZ 4.25Å; S77-F79 PolarHBondContact O-N 3.26Å; S77-F79 VanDerWaalsContact O-N 3.12Å; S77-F79 PolarHBondContact OG-N 2.86Å; S77-F79 VanDerWaalsContact OG-N 3.17Å; F79-E81 PolarHBondContact O-N 3.39Å; F79-F83 HydrophobicContact CD2-CB 4.2Å; F79-F83 HydrophobicContact CD2-CD1 4.22Å; F79-F83 HydrophobicContact CD2-CG 4.44Å; F79-F83 HydrophobicContact CE2-CB 4.34Å; F79-F83 HydrophobicContact CE2-CD1 4.22Å; F79-F83 HydrophobicContact CE2-CG 4.3Å
80G87.9Confident88Confident67 Ų6764.7 Ų64.769%0.69138%0.377SS*.SBendtrans79.6-8.7-175.700000114.7S77S77-G80 PolarHBondContact O-N 3.34Å; S77-G80 VanDerWaalsContact O-N 3.16Å; S77-G80 PolarHBondContact OG-N 2.88Å
81E88.9Confident88.3Confident137 Ų13763.8 Ų63.864%0.6437%0.366SS*.SBendtrans-134.8152.5176.262.1175.8-177.600112.1S77 F79 F83S77-E81 WeakPolarHBondContact CB-O 3.16Å; S77-E81 PolarHBondContact OG-N 3.25Å; S77-E81 PolarHBondContact OG-O 3.04Å; F79-E81 PolarHBondContact O-N 3.39Å; E81-F83 PolarHBondContact O-N 2.84Å
82P89.6Confident88.6Confident86 Ų8666.8 Ų66.856%0.55837%0.366SS*.  trans-60.3137174.3-20.331.7000111.9N110P82-N110 VanDerWaalsContact CA-O 3.29Å; P82-N110 WeakPolarHBondContact CA-O 3.43Å
83F90.7Very high89Confident10 Ų1066 Ų664%0.04436%0.357CS..BIsolated β-bridgetrans-104.4157.6-176.867-88.4000113.4K35 A36 N39 F79 E81 M101 H108 N110 G111K35-F83 HydrophobicContact CB-CD2 4.19Å; A36-F83 HydrophobicContact CB-CE2 3.89Å; A36-F83 HydrophobicContact CB-CZ 4.17Å; N39-F83 HydrophobicContact CB-CE1 3.95Å; N39-F83 HydrophobicContact CB-CZ 4.23Å; N39-F83 WeakPolarHBondContact ND2-CE1 3.3Å; F79-F83 HydrophobicContact CD2-CB 4.2Å; F79-F83 HydrophobicContact CD2-CD1 4.22Å; F79-F83 HydrophobicContact CD2-CG 4.44Å; F79-F83 HydrophobicContact CE2-CB 4.34Å; F79-F83 HydrophobicContact CE2-CD1 4.22Å; F79-F83 HydrophobicContact CE2-CG 4.3Å; E81-F83 PolarHBondContact O-N 2.84Å; F83-M101 HydrophobicContact CE1-CE 3.98Å; F83-M101 HydrophobicContact CE2-CG 4.48Å; F83-M101 HydrophobicContact CZ-CE 3.66Å; F83-M101 HydrophobicContact CZ-CG 4.01Å; F83-M101 HydrophobicContact CZ-SD 4.12Å; F83-H108 CarbonylContact O-C 3.48Å; F83-N110 HydrophobicContact CD1-CB 3.8Å; F83-N110 WeakPolarHBondContact CD1-O 3.32Å; F83-N110 HydrophobicContact CD2-CB 3.89Å; F83-N110 HydrophobicContact CE1-CB 3.47Å; F83-N110 VanDerWaalsContact CE1-CB 3.47Å; F83-N110 WeakPolarHBondContact CE1-O 3.1Å; F83-N110 HydrophobicContact CE2-CB 3.56Å; F83-N110 HydrophobicContact CG-CB 4.01Å; F83-N110 HydrophobicContact CZ-CB 3.35Å; F83-N110 PolarHBondContact N-O 2.92Å; F83-N110 PolarHBondContact O-N 3.35Å; F83-N110 PolarHBondContact O-ND2 2.79Å; F83-G111 WeakPolarHBondContact CE1-O 3.27Å
84K91.5Very high89.2Confident109 Ų10962.7 Ų62.747%0.47434%0.335SS..  trans-60152.4-178.568.7175.8-174.3176.50113.2K35 N110K35-K84 HydrophobicContact CD-CG 4.15Å; K84-N110 PolarHBondContact O-ND2 2.99Å
85D91.5Very high89.3Confident15 Ų1566.3 Ų66.38%0.0834%0.344CS..  trans-75.7142.3174.1-52-52.8000110.4F87 R107 H108 N110 T129D85-F87 HydrophobicContact CB-CE1 3.93Å; D85-F87 HydrophobicContact CB-CE2 3.76Å; D85-F87 HydrophobicContact CB-CZ 3.41Å; D85-F87 VanDerWaalsContact CB-CZ 3.41Å; D85-R107 WeakPolarHBondContact OD2-CA 3.24Å; D85-H108 PolarHBondContact N-ND1 3.34Å; D85-H108 VanDerWaalsContact N-ND1 3.18Å; D85-H108 IonicContact OD2-CE1 3.68Å; D85-H108 PolarHBondContact OD2-N 2.93Å; D85-H108 IonicContact OD2-ND1 3.44Å; D85-H108 PolarHBondContact OD2-ND1 3.28Å; D85-H108 VanDerWaalsContact OD2-ND1 3.1Å; D85-N110 PolarHBondContact OD1-ND2 2.89Å; D85-T129 WeakPolarHBondContact CA-OG1 3Å
86E89.3Confident89.4Confident20 Ų2071.8 Ų71.89%0.09336%0.356CS..  trans-120.6108178.4-59.8178.8130.400108.5C33 P34 K35 A36 T129C33-E86 WeakPolarHBondContact CA-OE2 3.35Å; C33-E86 HydrophobicContact CB-CB 4.26Å; P34-E86 WeakPolarHBondContact CD-OE1 3.35Å; K35-E86 WeakPolarHBondContact CB-OE1 3.41Å; K35-E86 PolarHBondContact N-OE1 3.23Å; K35-E86 PolarHBondContact N-OE2 3.46Å; K35-E86 VanDerWaalsContact N-OE2 3.14Å; A36-E86 PolarHBondContact N-OE2 3.45Å; E86-T129 HydrophobicContact CB-CG2 3.8Å; E86-T129 PolarHBondContact N-OG1 2.66Å; E86-T129 WeakPolarHBondContact O-CG2 3.41Å
87F90.4Very high89.4Confident98 Ų9865.3 Ų65.343%0.4333%0.327SS..  trans-107.9139.5-179.8-53.9-55.3000110.9D85 N126D85-F87 HydrophobicContact CB-CE1 3.93Å; D85-F87 HydrophobicContact CB-CE2 3.76Å; D85-F87 HydrophobicContact CB-CZ 3.41Å; D85-F87 VanDerWaalsContact CB-CZ 3.41Å; F87-N126 VanDerWaalsContact CE1-C 3.46Å; F87-N126 VanDerWaalsContact CZ-O 3.26Å; F87-N126 WeakPolarHBondContact CZ-O 3.4Å
88H89.1Confident89.5Confident51 Ų5165 Ų6524%0.23632%0.324CS..  trans-133.1132.3177.1-166-59.6000110.5E32 R90 L91E32-H88 HydrophobicContact CB-CB 4.34Å; E32-H88 WeakPolarHBondContact CG-CD2 3.49Å; H88-R90 VanDerWaalsContact C-N 3.32Å; H88-R90 PolarHBondContact CE1-NE 3.15Å; H88-R90 PolarHBondContact ND1-N 3.29Å; H88-R90 VanDerWaalsContact ND1-N 3.16Å; H88-R90 PolarHBondContact O-N 3.19Å; H88-L91 HydrophobicContact CB-CB 4.19Å; H88-L91 HydrophobicContact CB-CD1 3.98Å; H88-L91 HydrophobicContact CB-CG 3.97Å; H88-L91 PolarHBondContact O-N 3.03Å; H88-L91 VanDerWaalsContact O-O 3.09Å
89S87.9Confident89.8Confident101 Ų10164.3 Ų64.371%0.70632%0.318SS*.THydrogen-bonded Turntrans-57.6-39.6-176.256.90000114.2L91S89-L91 VanDerWaalsContact C-N 3.35Å
90R88.6Confident90.1Very high112 Ų11260.5 Ų60.542%0.42330%0.302SS..THydrogen-bonded Turntrans-70.2-22.2174.2-62.2-175.9-66.1175.1-3.2114.8S7 E32 H88S7-R90 WeakPolarHBondContact O-CD 3.26Å; E32-R90 IonicContact OE1-NH2 3.1Å; E32-R90 PolarHBondContact OE1-NH2 2.81Å; E32-R90 VanDerWaalsContact OE1-NH2 3.14Å; H88-R90 VanDerWaalsContact C-N 3.32Å; H88-R90 PolarHBondContact CE1-NE 3.15Å; H88-R90 PolarHBondContact ND1-N 3.29Å; H88-R90 VanDerWaalsContact ND1-N 3.16Å; H88-R90 PolarHBondContact O-N 3.19Å
91L89.9Confident90.4Very high6 Ų657.3 Ų57.33%0.03127%0.269CS..  trans-93.2108.6180-61.2-177.9000108.9P9 W29 E32 H88 S89 Q125 I130P9-L91 HydrophobicContact CG-CD2 3.89Å; P9-L91 HydrophobicContact CG-CG 4.5Å; W29-L91 HydrophobicContact CB-CD1 4.32Å; W29-L91 HydrophobicContact CD2-CD1 4.19Å; W29-L91 HydrophobicContact CD2-CD2 3.59Å; W29-L91 HydrophobicContact CE3-CD1 4.06Å; W29-L91 HydrophobicContact CE3-CD2 3.75Å; W29-L91 HydrophobicContact CG-CD1 4.32Å; W29-L91 HydrophobicContact CG-CD2 4.16Å; W29-L91 HydrophobicContact CH2-CD2 3.93Å; W29-L91 HydrophobicContact CZ2-CD2 3.77Å; W29-L91 HydrophobicContact CZ3-CD2 3.92Å; E32-L91 HydrophobicContact CB-CD1 3.98Å; E32-L91 HydrophobicContact CG-CD1 4.44Å; H88-L91 HydrophobicContact CB-CB 4.19Å; H88-L91 HydrophobicContact CB-CD1 3.98Å; H88-L91 HydrophobicContact CB-CG 3.97Å; H88-L91 PolarHBondContact O-N 3.03Å; H88-L91 VanDerWaalsContact O-O 3.09Å; S89-L91 VanDerWaalsContact C-N 3.35Å; L91-Q125 PolarHBondContact O-NE2 3.24Å; L91-I130 HydrophobicContact CB-CB 4.25Å; L91-I130 HydrophobicContact CB-CD1 4.23Å; L91-I130 HydrophobicContact CB-CG2 4.4Å; L91-I130 WeakPolarHBondContact CD1-O 3.33Å
92R90.6Very high90.5Very high161 Ų16151.3 Ų51.361%0.60824%0.243SC*.  trans-130.2146.2-176.4-61.2-17768-172.42.5110.9S94 L98 Q125R92-S94 PolarHBondContact O-N 3.43Å; R92-S94 PolarHBondContact O-OG 3.5Å; R92-L98 WeakPolarHBondContact O-CD1 3.47Å; R92-Q125 VanDerWaalsContact CA-OE1 3.25Å
93F91Very high90.3Very high5 Ų548.4 Ų48.42%0.02222%0.224CC..SBendtrans-73.255.5172.3-69.5-71.5000112.4L98 A100 F115 T117 T121 L124 H128 I130F93-L98 HydrophobicContact CD1-CD1 4.23Å; F93-A100 HydrophobicContact CE1-CB 3.77Å; F93-A100 HydrophobicContact CZ-CB 3.63Å; F93-F115 AromaticContact CE1-CE2 3.98Å; F93-F115 HydrophobicContact CE1-CE2 3.98Å; F93-F115 HydrophobicContact CE1-CZ 4.18Å; F93-F115 HydrophobicContact CZ-CE2 4.34Å; F93-F115 HydrophobicContact CZ-CZ 4.07Å; F93-T117 HydrophobicContact CD1-CG2 3.66Å; F93-T117 HydrophobicContact CE1-CG2 3.87Å; F93-T121 WeakPolarHBondContact CB-O 3.48Å; F93-T121 WeakPolarHBondContact CB-OG1 3.4Å; F93-T121 PolarHBondContact O-N 3.32Å; F93-L124 HydrophobicContact CD2-CB 3.73Å; F93-L124 HydrophobicContact CE2-CB 3.66Å; F93-L124 VanDerWaalsContact CE2-O 3.26Å; F93-L124 WeakPolarHBondContact CE2-O 2.72Å; F93-L124 HydrophobicContact CG-CB 4.23Å; F93-L124 HydrophobicContact CZ-CB 4.08Å; F93-H128 HydrophobicContact CE2-CB 4.28Å; F93-H128 HydrophobicContact CZ-CB 3.98Å; F93-I130 HydrophobicContact CD1-CD1 4.01Å; F93-I130 HydrophobicContact CD1-CG1 4.23Å; F93-I130 HydrophobicContact CD2-CD1 3.77Å; F93-I130 HydrophobicContact CD2-CG1 4.27Å; F93-I130 HydrophobicContact CE1-CD1 3.94Å; F93-I130 HydrophobicContact CE1-CG1 3.64Å; F93-I130 HydrophobicContact CE2-CD1 3.65Å; F93-I130 HydrophobicContact CE2-CG1 3.64Å; F93-I130 HydrophobicContact CG-CD1 3.96Å; F93-I130 HydrophobicContact CZ-CD1 3.76Å; F93-I130 HydrophobicContact CZ-CG1 3.31Å
94S87.4Confident89.6Confident53 Ų5352.3 Ų52.337%0.37126%0.258SS..  trans-89.8-17.8-172.461.10000113.5R92 R120R92-S94 PolarHBondContact O-N 3.43Å; R92-S94 PolarHBondContact O-OG 3.5Å; S94-R120 VanDerWaalsContact O-CG 3.27Å; S94-R120 WeakPolarHBondContact O-CG 3.32Å; S94-R120 PolarHBondContact O-NE 2.93Å; S94-R120 VanDerWaalsContact O-NE 3.13Å
95R87.8Confident88.6Confident92 Ų9250.8 Ų50.835%0.34727%0.274SS..SBendtrans-149.5164.7-174.164.2-175-177.8106.1-9111.9E8 L98 T117 G119E8-R95 IonicContact OE1-CZ 3.09Å; E8-R95 IonicContact OE1-NE 2.81Å; E8-R95 PolarHBondContact OE1-NE 3.48Å; E8-R95 IonicContact OE1-NH2 3.12Å; E8-R95 PolarHBondContact OE1-NH2 3.3Å; E8-R95 IonicContact OE2-CZ 2.76Å; E8-R95 IonicContact OE2-NE 3.21Å; E8-R95 IonicContact OE2-NH2 2.72Å; E8-R95 PolarHBondContact OE2-NH2 3.38Å; R95-L98 HydrophobicContact CG-CD1 4.41Å; R95-L98 HydrophobicContact CG-CG 4.36Å; R95-L98 WeakPolarHBondContact O-CD1 3.29Å; R95-T117 PolarHBondContact O-OG1 3.45Å; R95-T117 VanDerWaalsContact O-OG1 3.11Å; R95-G119 CarbonylContact C-O 3.59Å
96R89.2Confident87.9Confident142 Ų14257.6 Ų57.654%0.53630%0.303SS..SBendtrans-68.7159.1168.172.2-179.3-179.2-175.8-0.3111.5T117 L118R96-T117 WeakPolarHBondContact CA-O 3.44Å; R96-L118 VanDerWaalsContact CB-C 3.43Å; R96-L118 WeakPolarHBondContact CB-O 3.37Å
97G89.4Confident87.4Confident4 Ų467 Ų674%0.04134%0.337CS..SBendtrans83.722.5176.900000114T117 K133 G134G97-T117 PolarHBondContact N-O 3.18Å; G97-T117 PolarHBondContact N-OG1 2.92Å; G97-K133 CarbonylContact O-C 3.41Å; G97-K133 VanDerWaalsContact O-CA 3.27Å; G97-K133 WeakPolarHBondContact O-CA 3.22Å; G97-G134 PolarHBondContact O-N 3.3Å
98L92.8Very high87Confident2 Ų267.3 Ų67.31%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-95.1147.4170.5-59.4172000109.5W29 R92 F93 R95 F116 T117 K133W29-L98 HydrophobicContact CH2-CD2 3.74Å; W29-L98 HydrophobicContact CZ3-CD2 4.14Å; R92-L98 WeakPolarHBondContact O-CD1 3.47Å; F93-L98 HydrophobicContact CD1-CD1 4.23Å; R95-L98 HydrophobicContact CG-CD1 4.41Å; R95-L98 HydrophobicContact CG-CG 4.36Å; R95-L98 WeakPolarHBondContact O-CD1 3.29Å; L98-F116 CarbonylContact O-C 3.49Å; L98-F116 WeakPolarHBondContact O-CA 3.42Å; L98-T117 HydrophobicContact CB-CG2 4.27Å; L98-T117 WeakPolarHBondContact CB-OG1 3.31Å; L98-T117 PolarHBondContact N-OG1 2.84Å; L98-T117 PolarHBondContact O-N 3.21Å; L98-K133 HydrophobicContact CD2-CB 4.28Å
99V93.8Very high87Confident0 Ų066.3 Ų66.30%034%0.338CS..EExtended strand (participates in β ladder)trans-115124.7177.8-163.10000108.4I26 F114 F115 F116 F131 G132I26-V99 HydrophobicContact CD1-CG2 4.31Å; I26-V99 HydrophobicContact CG1-CG2 4.35Å; I26-V99 HydrophobicContact CG2-CG2 3.89Å; V99-F114 HydrophobicContact CG1-CD2 4.09Å; V99-F115 WeakPolarHBondContact CA-O 3.45Å; V99-F116 HydrophobicContact CB-CE1 4.48Å; V99-F116 HydrophobicContact CG1-CD1 4.47Å; V99-F116 HydrophobicContact CG1-CE1 4.26Å; V99-F116 HydrophobicContact CG2-CD1 3.65Å; V99-F116 HydrophobicContact CG2-CE1 3.48Å; V99-F116 VanDerWaalsContact CG2-CE1 3.48Å; V99-F131 HydrophobicContact CB-CE1 4.4Å; V99-F131 HydrophobicContact CB-CZ 4.19Å; V99-F131 HydrophobicContact CG1-CE1 3.75Å; V99-F131 HydrophobicContact CG1-CE2 4.02Å; V99-F131 HydrophobicContact CG1-CZ 3.38Å; V99-F131 PolarHBondContact O-N 2.74Å; V99-G132 PolarHBondContact N-O 2.91Å; V99-G132 PolarHBondContact O-N 2.71Å
100A94.4Very high87.1Confident0 Ų061.5 Ų61.50%031%0.305CS..EExtended strand (participates in β ladder)trans-137.5156.3-178.500000112.1F93 F114 F115 H128 T129 I130F93-A100 HydrophobicContact CE1-CB 3.77Å; F93-A100 HydrophobicContact CZ-CB 3.63Å; A100-F114 CarbonylContact O-C 3.54Å; A100-F114 VanDerWaalsContact O-CA 3.29Å; A100-F114 WeakPolarHBondContact O-CA 3.32Å; A100-F114 WeakPolarHBondContact O-CB 3.33Å; A100-F115 HydrophobicContact CB-CE1 3.88Å; A100-F115 HydrophobicContact CB-CE2 3.86Å; A100-F115 HydrophobicContact CB-CZ 3.5Å; A100-F115 PolarHBondContact N-O 3.28Å; A100-F115 WeakPolarHBondContact O-CD1 3.3Å; A100-F115 PolarHBondContact O-N 3.3Å; A100-H128 HydrophobicContact CB-CB 4.32Å; A100-T129 CarbonylContact C-O 3.58Å; A100-T129 WeakPolarHBondContact CA-O 3.32Å; A100-T129 WeakPolarHBondContact CB-O 3.33Å; A100-I130 HydrophobicContact CB-CG1 4.24Å
101M94.2Very high87.2Confident0 Ų056.8 Ų56.80%029%0.292CS..EExtended strand (participates in β ladder)trans-73.7131.4178.1-61.7-58-57.700110.6A36 F83 N110 G111 Q113 F115 H128 T129 F131A36-M101 HydrophobicContact CB-CG 4.11Å; A36-M101 HydrophobicContact CB-SD 4.44Å; F83-M101 HydrophobicContact CE1-CE 3.98Å; F83-M101 HydrophobicContact CE2-CG 4.48Å; F83-M101 HydrophobicContact CZ-CE 3.66Å; F83-M101 HydrophobicContact CZ-CG 4.01Å; F83-M101 HydrophobicContact CZ-SD 4.12Å; M101-N110 HydrophobicContact CB-CB 4.35Å; M101-N110 VanDerWaalsContact CB-OD1 3.3Å; M101-N110 WeakPolarHBondContact CB-OD1 3.48Å; M101-N110 HydrophobicContact CE-CB 4.46Å; M101-G111 WeakPolarHBondContact CE-O 3.33Å; M101-Q113 WeakPolarHBondContact CE-O 3.47Å; M101-F115 WeakPolarHBondContact O-CE1 3.32Å; M101-H128 PolarHBondContact O-ND1 2.89Å; M101-T129 HydrophobicContact CG-CG2 4.49Å; M101-T129 PolarHBondContact N-O 3.25Å; M101-F131 HydrophobicContact CG-CD1 3.84Å; M101-F131 HydrophobicContact CG-CE1 4.07Å; M101-F131 HydrophobicContact SD-CD1 3.71Å; M101-F131 HydrophobicContact SD-CE1 3.44Å; M101-F131 WeakPolarHBondContact SD-CE1 3.44Å; M101-F131 HydrophobicContact SD-CZ 4.18Å
102A91.9Very high87.4Confident10 Ų1056.5 Ų56.58%0.08329%0.29CS..  trans-7614316900000109.4Q64 Q113 F115Q64-A102 HydrophobicContact CG-CB 4.4Å; A102-Q113 HydrophobicContact CB-CB 3.76Å; A102-Q113 PolarHBondContact N-O 3.35Å; A102-F115 HydrophobicContact CB-CD1 4.12Å
103S85.8Confident87.5Confident25 Ų2550 Ų5018%0.17527%0.266CS..  trans-138.3145.9-179161.30000108.6G105 K106 S109S103-G105 PolarHBondContact O-N 3.28Å; S103-K106 PolarHBondContact OG-O 3.28Å; S103-S109 PolarHBondContact OG-OG 2.96Å
104A74.5Confident87.6Confident92 Ų9249.8 Ų49.876%0.7627%0.266SS*.  trans-75.725.9-179.700000113.3K106A104-K106 PolarHBondContact O-N 3.34Å
105G71Confident87.8Confident77 Ų7747.5 Ų47.579%0.79425%0.249SC*.SBendtrans77.4-2.7-177.300000114.8S103S103-G105 PolarHBondContact O-N 3.28Å
106K76.9Confident88Confident159 Ų15943.1 Ų43.169%0.69123%0.232SC*.SBendtrans-95140.4172.7-64.6-178.1-176.3177.30110S103 A104 H108 S109S103-K106 PolarHBondContact OG-O 3.28Å; A104-K106 PolarHBondContact O-N 3.34Å; K106-H108 PolarHBondContact O-N 2.9Å; K106-S109 PolarHBondContact O-OG 3.48Å
107R78.9Confident88.1Confident218 Ų21836.3 Ų36.382%0.82321%0.207SC*.THydrogen-bonded Turntrans-59.2137.9169.9-70.7-174.5177.3-179.70.1109.2D85D85-R107 WeakPolarHBondContact OD2-CA 3.24Å
108H82.7Confident88.1Confident103 Ų10336.6 Ų36.648%0.47721%0.207SC..THydrogen-bonded Turntrans6537.8174.1-46.9-29.7000114F83 D85 K106F83-H108 CarbonylContact O-C 3.48Å; D85-H108 PolarHBondContact N-ND1 3.34Å; D85-H108 VanDerWaalsContact N-ND1 3.18Å; D85-H108 IonicContact OD2-CE1 3.68Å; D85-H108 PolarHBondContact OD2-N 2.93Å; D85-H108 IonicContact OD2-ND1 3.44Å; D85-H108 PolarHBondContact OD2-ND1 3.28Å; D85-H108 VanDerWaalsContact OD2-ND1 3.1Å; K106-H108 PolarHBondContact O-N 2.9Å
109S87.7Confident87.8Confident30 Ų3037.3 Ų37.321%0.2122%0.215CC..  trans-114.930.9179650000113.3S103 K106 G111S103-S109 PolarHBondContact OG-OG 2.96Å; K106-S109 PolarHBondContact O-OG 3.48Å; S109-G111 PolarHBondContact O-N 3.27Å
110N90.5Very high87.6Confident0 Ų046.6 Ų46.60%025%0.25CC..BIsolated β-bridgetrans-74126.5-179.4-58.7-66.2000111P82 F83 K84 D85 M101P82-N110 VanDerWaalsContact CA-O 3.29Å; P82-N110 WeakPolarHBondContact CA-O 3.43Å; F83-N110 HydrophobicContact CD1-CB 3.8Å; F83-N110 WeakPolarHBondContact CD1-O 3.32Å; F83-N110 HydrophobicContact CD2-CB 3.89Å; F83-N110 HydrophobicContact CE1-CB 3.47Å; F83-N110 VanDerWaalsContact CE1-CB 3.47Å; F83-N110 WeakPolarHBondContact CE1-O 3.1Å; F83-N110 HydrophobicContact CE2-CB 3.56Å; F83-N110 HydrophobicContact CG-CB 4.01Å; F83-N110 HydrophobicContact CZ-CB 3.35Å; F83-N110 PolarHBondContact N-O 2.92Å; F83-N110 PolarHBondContact O-N 3.35Å; F83-N110 PolarHBondContact O-ND2 2.79Å; K84-N110 PolarHBondContact O-ND2 2.99Å; D85-N110 PolarHBondContact OD1-ND2 2.89Å; M101-N110 HydrophobicContact CB-CB 4.35Å; M101-N110 VanDerWaalsContact CB-OD1 3.3Å; M101-N110 WeakPolarHBondContact CB-OD1 3.48Å; M101-N110 HydrophobicContact CE-CB 4.46Å
111G91Very high87.3Confident14 Ų1446.6 Ų46.614%0.14425%0.25CC..  trans-111.6-130.1176.900000112.5N39 F83 M101 S109N39-G111 PolarHBondContact ND2-O 3.23Å; F83-G111 WeakPolarHBondContact CE1-O 3.27Å; M101-G111 WeakPolarHBondContact CE-O 3.33Å; S109-G111 PolarHBondContact O-N 3.27Å
112S92.9Very high87.1Confident0 Ų050.8 Ų50.80%028%0.277CS..SBendtrans-91.1-21.117362.20000114.2Y49 G66 G75 E76Y49-S112 WeakPolarHBondContact CE1-O 3.23Å; Y49-S112 PolarHBondContact OH-O 3.46Å; G66-S112 WeakPolarHBondContact O-CB 3.32Å; G66-S112 PolarHBondContact O-OG 2.93Å; G75-S112 WeakPolarHBondContact CA-OG 3.31Å; E76-S112 WeakPolarHBondContact O-CB 3.41Å
113Q93Very high86.9Confident23 Ų2354.9 Ų54.911%0.10730%0.295CS..  trans-71.8139.4-170.2-64.4-170.316.800112G65 D67 G72 G74 M101 A102G65-Q113 WeakPolarHBondContact O-CA 3.35Å; D67-Q113 HydrophobicContact CB-CG 4.13Å; G72-Q113 VanDerWaalsContact C-NE2 3.31Å; G72-Q113 PolarHBondContact O-NE2 3.37Å; G74-Q113 PolarHBondContact O-NE2 3.13Å; M101-Q113 WeakPolarHBondContact CE-O 3.47Å; A102-Q113 HydrophobicContact CB-CB 3.76Å; A102-Q113 PolarHBondContact N-O 3.35Å
114F93.5Very high87.1Confident2 Ų254.6 Ų54.61%0.00929%0.291CS..EExtended strand (participates in β ladder)trans-138.4162178.362.9-89.1000110.6L17 F40 Y49 F54 Q64 G65 V99 A100 F116 F131L17-F114 HydrophobicContact CD1-CE2 4.37Å; L17-F114 HydrophobicContact CD1-CZ 4.26Å; F40-F114 HydrophobicContact CD2-CD1 4.39Å; F40-F114 AromaticContact CE2-CD1 3.98Å; F40-F114 HydrophobicContact CE2-CD1 3.98Å; F40-F114 AromaticContact CE2-CE1 3.9Å; F40-F114 HydrophobicContact CE2-CE1 3.9Å; F40-F114 HydrophobicContact CE2-CG 4.4Å; F40-F114 HydrophobicContact CE2-CZ 4.25Å; Y49-F114 HydrophobicContact CD1-CE1 4.01Å; Y49-F114 HydrophobicContact CE1-CD1 4.03Å; Y49-F114 AromaticContact CE1-CE1 3.65Å; Y49-F114 HydrophobicContact CE1-CE1 3.65Å; Y49-F114 HydrophobicContact CE2-CE1 4.33Å; Y49-F114 HydrophobicContact CG-CE1 4.5Å; Y49-F114 AromaticContact CZ-CD1 4Å; Y49-F114 AromaticContact CZ-CE1 3.81Å; F54-F114 HydrophobicContact CE1-CE2 4.21Å; Q64-F114 WeakPolarHBondContact CA-O 3.49Å; G65-F114 PolarHBondContact N-O 3.43Å; G65-F114 PolarHBondContact O-N 3.28Å; G65-F114 VanDerWaalsContact O-O 3.08Å; V99-F114 HydrophobicContact CG1-CD2 4.09Å; A100-F114 CarbonylContact O-C 3.54Å; A100-F114 VanDerWaalsContact O-CA 3.29Å; A100-F114 WeakPolarHBondContact O-CA 3.32Å; A100-F114 WeakPolarHBondContact O-CB 3.33Å; F114-F116 HydrophobicContact CD2-CE2 4.26Å; F114-F116 HydrophobicContact CE2-CD2 4.41Å; F114-F116 AromaticContact CE2-CE2 3.67Å; F114-F116 HydrophobicContact CE2-CE2 3.67Å; F114-F116 HydrophobicContact CE2-CZ 4.04Å; F114-F131 HydrophobicContact CB-CE1 4.13Å; F114-F131 HydrophobicContact CB-CZ 4.17Å
115F92.6Very high87.8Confident4 Ų452.3 Ų52.32%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-136150.2174.765-91.9000112.3I62 V63 Q64 F93 V99 A100 M101 A102 T117 L124 H128I62-F115 HydrophobicContact CB-CB 4.41Å; I62-F115 HydrophobicContact CB-CD2 4.05Å; I62-F115 HydrophobicContact CB-CG 4.5Å; I62-F115 HydrophobicContact CG2-CD2 3.69Å; I62-F115 HydrophobicContact CG2-CE2 4.01Å; V63-F115 CarbonylContact O-C 3.55Å; V63-F115 WeakPolarHBondContact O-CA 3.43Å; V63-F115 WeakPolarHBondContact O-CB 3.25Å; Q64-F115 HydrophobicContact CB-CB 3.98Å; Q64-F115 HydrophobicContact CG-CB 4.42Å; F93-F115 AromaticContact CE1-CE2 3.98Å; F93-F115 HydrophobicContact CE1-CE2 3.98Å; F93-F115 HydrophobicContact CE1-CZ 4.18Å; F93-F115 HydrophobicContact CZ-CE2 4.34Å; F93-F115 HydrophobicContact CZ-CZ 4.07Å; V99-F115 WeakPolarHBondContact CA-O 3.45Å; A100-F115 HydrophobicContact CB-CE1 3.88Å; A100-F115 HydrophobicContact CB-CE2 3.86Å; A100-F115 HydrophobicContact CB-CZ 3.5Å; A100-F115 PolarHBondContact N-O 3.28Å; A100-F115 WeakPolarHBondContact O-CD1 3.3Å; A100-F115 PolarHBondContact O-N 3.3Å; M101-F115 WeakPolarHBondContact O-CE1 3.32Å; A102-F115 HydrophobicContact CB-CD1 4.12Å; F115-T117 HydrophobicContact CD2-CG2 4.39Å; F115-T117 HydrophobicContact CE2-CG2 4.09Å; F115-L124 HydrophobicContact CE2-CD1 3.65Å; F115-L124 HydrophobicContact CZ-CD1 3.76Å; F115-H128 HydrophobicContact CE1-CB 4.07Å; F115-H128 AromaticContact CE1-CG 3.79Å; F115-H128 AromaticContact CE1-ND1 3.71Å; F115-H128 HydrophobicContact CZ-CB 3.91Å; F115-H128 AromaticContact CZ-CG 3.84Å
116F91.8Very high88.4Confident0 Ų053.7 Ų53.70%025%0.254CS..EExtended strand (participates in β ladder)trans-95.6137.8168.6-66-80.1000110.1L17 I24 I26 F54 I62 V63 L98 V99 F114 V137 I140L17-F116 HydrophobicContact CD1-CZ 4.02Å; I24-F116 HydrophobicContact CG2-CE1 4.16Å; I24-F116 HydrophobicContact CG2-CZ 4.07Å; I26-F116 HydrophobicContact CD1-CE1 3.94Å; I26-F116 HydrophobicContact CD1-CZ 3.84Å; I26-F116 HydrophobicContact CG1-CE1 4.17Å; I26-F116 HydrophobicContact CG1-CZ 4.42Å; F54-F116 HydrophobicContact CE1-CD2 4.04Å; F54-F116 AromaticContact CE1-CE2 3.76Å; F54-F116 HydrophobicContact CE1-CE2 3.76Å; F54-F116 AromaticContact CZ-CE2 3.99Å; F54-F116 HydrophobicContact CZ-CE2 3.99Å; I62-F116 CarbonylContact C-O 3.57Å; I62-F116 VanDerWaalsContact CA-O 3.24Å; I62-F116 WeakPolarHBondContact CA-O 3.42Å; V63-F116 HydrophobicContact CB-CB 4.49Å; V63-F116 PolarHBondContact N-O 2.8Å; V63-F116 PolarHBondContact O-N 2.81Å; L98-F116 CarbonylContact O-C 3.49Å; L98-F116 WeakPolarHBondContact O-CA 3.42Å; V99-F116 HydrophobicContact CB-CE1 4.48Å; V99-F116 HydrophobicContact CG1-CD1 4.47Å; V99-F116 HydrophobicContact CG1-CE1 4.26Å; V99-F116 HydrophobicContact CG2-CD1 3.65Å; V99-F116 HydrophobicContact CG2-CE1 3.48Å; V99-F116 VanDerWaalsContact CG2-CE1 3.48Å; F114-F116 HydrophobicContact CD2-CE2 4.26Å; F114-F116 HydrophobicContact CE2-CD2 4.41Å; F114-F116 AromaticContact CE2-CE2 3.67Å; F114-F116 HydrophobicContact CE2-CE2 3.67Å; F114-F116 HydrophobicContact CE2-CZ 4.04Å; F116-V137 HydrophobicContact CB-CG1 4.43Å; F116-V137 HydrophobicContact CD1-CG2 3.98Å; F116-V137 HydrophobicContact CE1-CG2 4.43Å; F116-I140 HydrophobicContact CD1-CD1 4.29Å; F116-I140 HydrophobicContact CD2-CD1 3.96Å; F116-I140 HydrophobicContact CE1-CD1 4.39Å; F116-I140 HydrophobicContact CE2-CD1 4.02Å; F116-I140 HydrophobicContact CG-CD1 4.09Å; F116-I140 HydrophobicContact CZ-CD1 4.25Å
117T91.6Very high89Confident0 Ų052.2 Ų52.20%025%0.247CC..EExtended strand (participates in β ladder)trans-82.3129.1169.462.50000111.3F93 R95 R96 G97 L98 F115F93-T117 HydrophobicContact CD1-CG2 3.66Å; F93-T117 HydrophobicContact CE1-CG2 3.87Å; R95-T117 PolarHBondContact O-OG1 3.45Å; R95-T117 VanDerWaalsContact O-OG1 3.11Å; R96-T117 WeakPolarHBondContact CA-O 3.44Å; G97-T117 PolarHBondContact N-O 3.18Å; G97-T117 PolarHBondContact N-OG1 2.92Å; L98-T117 HydrophobicContact CB-CG2 4.27Å; L98-T117 WeakPolarHBondContact CB-OG1 3.31Å; L98-T117 PolarHBondContact N-OG1 2.84Å; L98-T117 PolarHBondContact O-N 3.21Å; F115-T117 HydrophobicContact CD2-CG2 4.39Å; F115-T117 HydrophobicContact CE2-CG2 4.09Å
118L87.8Confident89.6Confident10 Ų1043.2 Ų43.25%0.05221%0.214CC..SBendtrans-94.2-18.3172.8-62-175.7000112.5F61 V63 R96 V137 I140 N141F61-L118 PolarHBondContact O-N 3.02Å; V63-L118 HydrophobicContact CG2-CD1 3.56Å; V63-L118 HydrophobicContact CG2-CD2 3.91Å; V63-L118 HydrophobicContact CG2-CG 3.82Å; R96-L118 VanDerWaalsContact CB-C 3.43Å; R96-L118 WeakPolarHBondContact CB-O 3.37Å; L118-V137 HydrophobicContact CD2-CG1 4.07Å; L118-I140 HydrophobicContact CD2-CG2 4.43Å; L118-N141 HydrophobicContact CD2-CB 3.94Å
119G87Confident90.1Very high16 Ų1638.3 Ų38.317%0.16519%0.192CC..SBendtrans-142.1-163.8-179.800000113G60 R95G60-G119 WeakPolarHBondContact O-CA 3.46Å; G60-G119 PolarHBondContact O-N 3.09Å; R95-G119 CarbonylContact C-O 3.59Å
120R89.4Confident90.4Very high195 Ų19537.2 Ų37.274%0.73618%0.183SC*.  trans-85.7125.7172.8-54.8-17863.7-170.2-4.1107.7S94 P122S94-R120 VanDerWaalsContact O-CG 3.27Å; S94-R120 WeakPolarHBondContact O-CG 3.32Å; S94-R120 PolarHBondContact O-NE 2.93Å; S94-R120 VanDerWaalsContact O-NE 3.13Å; R120-P122 VanDerWaalsContact C-CD 3.48Å
121T89Confident90.6Very high0 Ų037.2 Ų37.20%018%0.183CC..  trans-131.961.3-173.161.60000111F61 F93 E123 L124F61-T121 HydrophobicContact CD2-CG2 3.33Å; F61-T121 HydrophobicContact CE2-CG2 3.32Å; F61-T121 HydrophobicContact CG-CG2 4.36Å; F61-T121 HydrophobicContact CZ-CG2 4.39Å; F93-T121 WeakPolarHBondContact CB-O 3.48Å; F93-T121 WeakPolarHBondContact CB-OG1 3.4Å; F93-T121 PolarHBondContact O-N 3.32Å; T121-E123 WeakPolarHBondContact CA-OE2 3.31Å; T121-E123 PolarHBondContact O-N 2.75Å; T121-E123 VanDerWaalsContact O-N 3.14Å; T121-L124 PolarHBondContact O-N 2.83Å; T121-L124 VanDerWaalsContact O-N 3.11Å
122P89.6Confident90.7Very high89 Ų8936.5 Ų36.558%0.57818%0.177SC*.G310 helixtrans-58.8-22.9-177.826.7-36.1000113.8R120 L124 Q125R120-P122 VanDerWaalsContact C-CD 3.48Å; P122-L124 PolarHBondContact O-N 2.9Å; P122-Q125 WeakPolarHBondContact O-CB 3.4Å; P122-Q125 PolarHBondContact O-N 3Å; P122-Q125 VanDerWaalsContact O-N 3.11Å
123E88.9Confident90.6Very high96 Ų9638.3 Ų38.345%0.44918%0.184SC..G310 helixtrans-64.8-19.9176.460.9-93.6-139.100114.3F61 T121 K127F61-E123 HydrophobicContact CE2-CG 4.17Å; F61-E123 WeakPolarHBondContact CE2-OE1 3.35Å; F61-E123 HydrophobicContact CZ-CG 4.24Å; T121-E123 WeakPolarHBondContact CA-OE2 3.31Å; T121-E123 PolarHBondContact O-N 2.75Å; T121-E123 VanDerWaalsContact O-N 3.14Å; E123-K127 WeakPolarHBondContact O-CD 3.35Å; E123-K127 WeakPolarHBondContact O-CE 3.27Å; E123-K127 PolarHBondContact O-NZ 3.4Å
124L88.8Confident90.3Very high19 Ų1937.6 Ų37.610%0.09918%0.183CC..G310 helixtrans-88.7-7.1176.7-58.2-175.2000112.4F61 I62 F93 F115 T121 P122 N126 K127 H128F61-L124 HydrophobicContact CE2-CD1 4.42Å; F61-L124 HydrophobicContact CZ-CD1 4.04Å; F61-L124 HydrophobicContact CZ-CD2 4.14Å; F61-L124 HydrophobicContact CZ-CG 4.16Å; I62-L124 HydrophobicContact CG2-CD1 4.05Å; F93-L124 HydrophobicContact CD2-CB 3.73Å; F93-L124 HydrophobicContact CE2-CB 3.66Å; F93-L124 VanDerWaalsContact CE2-O 3.26Å; F93-L124 WeakPolarHBondContact CE2-O 2.72Å; F93-L124 HydrophobicContact CG-CB 4.23Å; F93-L124 HydrophobicContact CZ-CB 4.08Å; F115-L124 HydrophobicContact CE2-CD1 3.65Å; F115-L124 HydrophobicContact CZ-CD1 3.76Å; T121-L124 PolarHBondContact O-N 2.83Å; T121-L124 VanDerWaalsContact O-N 3.11Å; P122-L124 PolarHBondContact O-N 2.9Å; L124-N126 PolarHBondContact O-N 2.75Å; L124-K127 PolarHBondContact O-N 3.38Å; L124-K127 VanDerWaalsContact O-N 3.14Å; L124-H128 PolarHBondContact O-N 3.18Å
125Q88.5Confident89.4Confident44 Ų4441.8 Ų41.821%0.20621%0.205CC..THydrogen-bonded Turntrans-59.9133.6-179.5-169.664.439.600110.9L91 R92 P122 K127L91-Q125 PolarHBondContact O-NE2 3.24Å; R92-Q125 VanDerWaalsContact CA-OE1 3.25Å; P122-Q125 WeakPolarHBondContact O-CB 3.4Å; P122-Q125 PolarHBondContact O-N 3Å; P122-Q125 VanDerWaalsContact O-N 3.11Å; Q125-K127 PolarHBondContact O-N 3.26Å; Q125-K127 VanDerWaalsContact O-N 3.15Å
126N85.1Confident88.3Confident106 Ų10644.6 Ų44.657%0.56722%0.218SC*.THydrogen-bonded Turntrans59.817.8-178.7-50.2-25.5000114.5F87 L124F87-N126 VanDerWaalsContact CE1-C 3.46Å; F87-N126 VanDerWaalsContact CZ-O 3.26Å; F87-N126 WeakPolarHBondContact CZ-O 3.4Å; L124-N126 PolarHBondContact O-N 2.75Å
127K89.1Confident87.1Confident127 Ų12744.9 Ų44.955%0.55222%0.22SC*.THydrogen-bonded Turntrans-113.8-31.3172.1-63.7179.8-174.51620112.5E123 L124 Q125E123-K127 WeakPolarHBondContact O-CD 3.35Å; E123-K127 WeakPolarHBondContact O-CE 3.27Å; E123-K127 PolarHBondContact O-NZ 3.4Å; L124-K127 PolarHBondContact O-N 3.38Å; L124-K127 VanDerWaalsContact O-N 3.14Å; Q125-K127 PolarHBondContact O-N 3.26Å; Q125-K127 VanDerWaalsContact O-N 3.15Å
128H92.3Very high85.9Confident29 Ų2951 Ų5113%0.13425%0.247CC..SBendtrans-124.7142.5-177.5-63-80.4000111.4F93 A100 M101 F115 L124 I130F93-H128 HydrophobicContact CE2-CB 4.28Å; F93-H128 HydrophobicContact CZ-CB 3.98Å; A100-H128 HydrophobicContact CB-CB 4.32Å; M101-H128 PolarHBondContact O-ND1 2.89Å; F115-H128 HydrophobicContact CE1-CB 4.07Å; F115-H128 AromaticContact CE1-CG 3.79Å; F115-H128 AromaticContact CE1-ND1 3.71Å; F115-H128 HydrophobicContact CZ-CB 3.91Å; F115-H128 AromaticContact CZ-CG 3.84Å; L124-H128 PolarHBondContact O-N 3.18Å; H128-I130 PolarHBondContact O-N 3.12Å
129T92.9Very high84.8Confident0 Ų052.4 Ų52.40%025%0.254CS..  trans-77.6112.1177.1-59.70000109.8C33 A36 D85 E86 A100 M101C33-T129 HydrophobicContact CB-CG2 4.14Å; A36-T129 HydrophobicContact CB-CG2 3.73Å; D85-T129 WeakPolarHBondContact CA-OG1 3Å; E86-T129 HydrophobicContact CB-CG2 3.8Å; E86-T129 PolarHBondContact N-OG1 2.66Å; E86-T129 WeakPolarHBondContact O-CG2 3.41Å; A100-T129 CarbonylContact C-O 3.58Å; A100-T129 WeakPolarHBondContact CA-O 3.32Å; A100-T129 WeakPolarHBondContact CB-O 3.33Å; M101-T129 HydrophobicContact CG-CG2 4.49Å; M101-T129 PolarHBondContact N-O 3.25Å
130I94Very high83.8Confident7 Ų751.8 Ų51.84%0.03625%0.247CC..EExtended strand (participates in β ladder)trans-84.2112.5174-59.9168.5000108W29 C33 L91 F93 A100 H128W29-I130 HydrophobicContact CE3-CG2 4Å; W29-I130 HydrophobicContact CZ3-CG2 3.52Å; C33-I130 PolarHBondContact SG-O 3.17Å; L91-I130 HydrophobicContact CB-CB 4.25Å; L91-I130 HydrophobicContact CB-CD1 4.23Å; L91-I130 HydrophobicContact CB-CG2 4.4Å; L91-I130 WeakPolarHBondContact CD1-O 3.33Å; F93-I130 HydrophobicContact CD1-CD1 4.01Å; F93-I130 HydrophobicContact CD1-CG1 4.23Å; F93-I130 HydrophobicContact CD2-CD1 3.77Å; F93-I130 HydrophobicContact CD2-CG1 4.27Å; F93-I130 HydrophobicContact CE1-CD1 3.94Å; F93-I130 HydrophobicContact CE1-CG1 3.64Å; F93-I130 HydrophobicContact CE2-CD1 3.65Å; F93-I130 HydrophobicContact CE2-CG1 3.64Å; F93-I130 HydrophobicContact CG-CD1 3.96Å; F93-I130 HydrophobicContact CZ-CD1 3.76Å; F93-I130 HydrophobicContact CZ-CG1 3.31Å; A100-I130 HydrophobicContact CB-CG1 4.24Å; H128-I130 PolarHBondContact O-N 3.12Å
131F93.6Very high82.6Confident0 Ų044.7 Ų44.70%022%0.224CC..EExtended strand (participates in β ladder)trans-115.7-10.1-174.470.6-91.3000113.6L28 W29 C33 A36 F40 V99 M101 F114L28-F131 WeakPolarHBondContact CA-O 3.29Å; L28-F131 HydrophobicContact CD2-CD2 3.74Å; L28-F131 HydrophobicContact CD2-CE2 3.88Å; W29-F131 PolarHBondContact N-O 2.79Å; C33-F131 HydrophobicContact CB-CB 4.01Å; A36-F131 HydrophobicContact CB-CB 3.67Å; A36-F131 HydrophobicContact CB-CD1 4.45Å; A36-F131 HydrophobicContact CB-CG 4.16Å; F40-F131 HydrophobicContact CB-CE2 3.99Å; F40-F131 HydrophobicContact CB-CZ 4.48Å; F40-F131 AromaticContact CD1-CE2 3.88Å; F40-F131 HydrophobicContact CD1-CE2 3.88Å; F40-F131 AromaticContact CD2-CE2 3.96Å; F40-F131 HydrophobicContact CD2-CE2 3.96Å; F40-F131 AromaticContact CD2-CZ 3.92Å; F40-F131 HydrophobicContact CD2-CZ 3.92Å; F40-F131 HydrophobicContact CE1-CE2 4.32Å; F40-F131 HydrophobicContact CE2-CE2 4.41Å; F40-F131 HydrophobicContact CE2-CZ 4.29Å; F40-F131 AromaticContact CG-CE2 3.67Å; F40-F131 HydrophobicContact CG-CE2 3.67Å; F40-F131 HydrophobicContact CG-CZ 4.11Å; V99-F131 HydrophobicContact CB-CE1 4.4Å; V99-F131 HydrophobicContact CB-CZ 4.19Å; V99-F131 HydrophobicContact CG1-CE1 3.75Å; V99-F131 HydrophobicContact CG1-CE2 4.02Å; V99-F131 HydrophobicContact CG1-CZ 3.38Å; V99-F131 PolarHBondContact O-N 2.74Å; M101-F131 HydrophobicContact CG-CD1 3.84Å; M101-F131 HydrophobicContact CG-CE1 4.07Å; M101-F131 HydrophobicContact SD-CD1 3.71Å; M101-F131 HydrophobicContact SD-CE1 3.44Å; M101-F131 WeakPolarHBondContact SD-CE1 3.44Å; M101-F131 HydrophobicContact SD-CZ 4.18Å; F114-F131 HydrophobicContact CB-CE1 4.13Å; F114-F131 HydrophobicContact CB-CZ 4.17Å
132G93Very high81.3Confident0 Ų051.1 Ų51.10%025%0.252CS..EExtended strand (participates in β ladder)trans-161.8176.3177.100000114.8E27 W29 V99E27-G132 CarbonylContact O-C 3.52Å; E27-G132 WeakPolarHBondContact O-CA 3.35Å; W29-G132 WeakPolarHBondContact CZ3-O 3.47Å; V99-G132 PolarHBondContact N-O 2.91Å; V99-G132 PolarHBondContact O-N 2.71Å
133K91.1Very high80.1Confident38 Ų3849.7 Ų49.717%0.16524%0.237CC..EExtended strand (participates in β ladder)trans-129.4134173.163.9-177.5-173.3-168.90110.2T11 I26 E27 W29 G97 L98T11-K133 HydrophobicContact CG2-CD 4.25Å; T11-K133 HydrophobicContact CG2-CG 4.36Å; I26-K133 CarbonylContact C-O 3.48Å; I26-K133 WeakPolarHBondContact CA-O 3.38Å; E27-K133 HydrophobicContact CB-CG 4.02Å; E27-K133 PolarHBondContact N-O 3.46Å; E27-K133 PolarHBondContact O-N 3.37Å; E27-K133 WeakPolarHBondContact OE2-CE 3.31Å; E27-K133 IonicContact OE2-NZ 3.81Å; E27-K133 PolarHBondContact OE2-NZ 2.86Å; E27-K133 VanDerWaalsContact OE2-NZ 3.09Å; W29-K133 HydrophobicContact CH2-CB 3.78Å; W29-K133 HydrophobicContact CH2-CD 4.21Å; W29-K133 HydrophobicContact CH2-CG 4.21Å; W29-K133 HydrophobicContact CZ2-CB 4.35Å; W29-K133 HydrophobicContact CZ2-CD 3.93Å; W29-K133 HydrophobicContact CZ2-CG 4.3Å; W29-K133 HydrophobicContact CZ3-CB 4.22Å; G97-K133 CarbonylContact O-C 3.41Å; G97-K133 VanDerWaalsContact O-CA 3.27Å; G97-K133 WeakPolarHBondContact O-CA 3.22Å; L98-K133 HydrophobicContact CD2-CB 4.28Å
134G86.2Confident79Confident8 Ų845.3 Ų45.38%0.08222%0.216CC..EExtended strand (participates in β ladder)trans-89.6126.4173.200000110.8E25 G97E25-G134 CarbonylContact O-C 3.53Å; E25-G134 WeakPolarHBondContact O-CA 3.42Å; G97-G134 PolarHBondContact O-N 3.3Å
135L74.9Confident77.7Confident90 Ų9047.7 Ų47.747%0.47123%0.234SC..SBendtrans-75.5-28.4179.4-65.7173.3000112.3E25 E27E25-L135 HydrophobicContact CB-CD1 4.34Å; E25-L135 PolarHBondContact O-N 2.73Å; E27-L135 HydrophobicContact CG-CD1 4.19Å; E27-L135 HydrophobicContact CG-CG 4.37Å
136Q70Confident76.2Confident62 Ų6250.6 Ų50.629%0.2925%0.251SS..  trans-11825.8-168.4-57.7-176.935.300113.3D23 F138 I139D23-Q136 PolarHBondContact O-OE1 2.93Å; D23-Q136 VanDerWaalsContact O-OE1 3.07Å; Q136-F138 PolarHBondContact O-N 2.92Å; Q136-I139 HydrophobicContact CB-CD1 4.03Å; Q136-I139 WeakPolarHBondContact O-CB 3.47Å; Q136-I139 PolarHBondContact O-N 2.6Å
137V66.3Low75Confident7 Ų746.2 Ų46.24%0.04223%0.227CC..Hα-helixtrans-65.8-12.3-177.2-1790000113.2F116 L118 I139 I140 N141F116-V137 HydrophobicContact CB-CG1 4.43Å; F116-V137 HydrophobicContact CD1-CG2 3.98Å; F116-V137 HydrophobicContact CE1-CG2 4.43Å; L118-V137 HydrophobicContact CD2-CG1 4.07Å; V137-I139 PolarHBondContact O-N 3.12Å; V137-I140 HydrophobicContact CB-CD1 4.45Å; V137-I140 HydrophobicContact CG1-CB 4.38Å; V137-I140 HydrophobicContact CG1-CD1 4.25Å; V137-I140 HydrophobicContact CG2-CD1 4.22Å; V137-I140 WeakPolarHBondContact O-CB 3.41Å; V137-I140 PolarHBondContact O-N 3.47Å; V137-N141 PolarHBondContact O-N 2.69Å
138F66.7Low73.5Confident129 Ų12943.4 Ų43.457%0.56622%0.218SC*.Hα-helixtrans-59.9-35.4170.4106.2-94.3000111.7Q136 I140 N141 F142Q136-F138 PolarHBondContact O-N 2.92Å; F138-I140 VanDerWaalsContact C-N 3.35Å; F138-N141 PolarHBondContact O-N 2.99Å; F138-F142 WeakPolarHBondContact O-CB 3.28Å; F138-F142 PolarHBondContact O-N 2.72Å
139I64.7Low71.9Confident39 Ų3946.9 Ų46.920%0.225%0.245CC..Hα-helixtrans-64.3-45179.2-57.9176.1000109.2V21 Q136 V137 F142 F143V21-I139 HydrophobicContact CG2-CG2 4.39Å; V21-I139 VanDerWaalsContact O-CG2 3.29Å; V21-I139 WeakPolarHBondContact O-CG2 3.35Å; Q136-I139 HydrophobicContact CB-CD1 4.03Å; Q136-I139 WeakPolarHBondContact O-CB 3.47Å; Q136-I139 PolarHBondContact O-N 2.6Å; V137-I139 PolarHBondContact O-N 3.12Å; I139-F142 PolarHBondContact O-N 2.67Å; I139-F143 VanDerWaalsContact O-CB 3.23Å; I139-F143 WeakPolarHBondContact O-CB 3.32Å; I139-F143 PolarHBondContact O-N 2.89Å
140I65.4Low70Confident2 Ų249.9 Ų49.91%0.0127%0.267CS..Hα-helixtrans-59-50.8175.8-56.4177.5000110.1I24 V63 F116 L118 V137 F138 F142 F143 F144I24-I140 HydrophobicContact CD1-CD1 3.41Å; I24-I140 VanDerWaalsContact CD1-CD1 3.41Å; I24-I140 HydrophobicContact CD1-CG1 3.59Å; I24-I140 HydrophobicContact CG1-CD1 3.87Å; I24-I140 HydrophobicContact CG1-CG1 3.95Å; I24-I140 HydrophobicContact CG2-CD1 4.12Å; V63-I140 HydrophobicContact CB-CG2 4.38Å; V63-I140 HydrophobicContact CG1-CG2 4.32Å; V63-I140 HydrophobicContact CG2-CG2 4.05Å; F116-I140 HydrophobicContact CD1-CD1 4.29Å; F116-I140 HydrophobicContact CD2-CD1 3.96Å; F116-I140 HydrophobicContact CE1-CD1 4.39Å; F116-I140 HydrophobicContact CE2-CD1 4.02Å; F116-I140 HydrophobicContact CG-CD1 4.09Å; F116-I140 HydrophobicContact CZ-CD1 4.25Å; L118-I140 HydrophobicContact CD2-CG2 4.43Å; V137-I140 HydrophobicContact CB-CD1 4.45Å; V137-I140 HydrophobicContact CG1-CB 4.38Å; V137-I140 HydrophobicContact CG1-CD1 4.25Å; V137-I140 HydrophobicContact CG2-CD1 4.22Å; V137-I140 WeakPolarHBondContact O-CB 3.41Å; V137-I140 PolarHBondContact O-N 3.47Å; F138-I140 VanDerWaalsContact C-N 3.35Å; I140-F142 VanDerWaalsContact C-N 3.35Å; I140-F142 PolarHBondContact O-N 2.93Å; I140-F143 PolarHBondContact O-N 3.43Å; I140-F144 HydrophobicContact CG2-CD2 3.58Å; I140-F144 HydrophobicContact CG2-CE2 3.82Å; I140-F144 WeakPolarHBondContact O-CB 3.49Å; I140-F144 WeakPolarHBondContact O-CD2 3.5Å; I140-F144 PolarHBondContact O-N 2.98Å
141N65Low67.9Low47 Ų4760 Ų6025%0.25131%0.31SS..Hα-helixtrans-61.6-43.5-179-168.358.2000112.1L118 V137 F138 S145L118-N141 HydrophobicContact CD2-CB 3.94Å; V137-N141 PolarHBondContact O-N 2.69Å; F138-N141 PolarHBondContact O-N 2.99Å; N141-S145 WeakPolarHBondContact O-CB 3.35Å; N141-S145 PolarHBondContact O-N 3.14Å
142F61.1Low65.6Low134 Ų13460.6 Ų60.659%0.58831%0.314SS*.Hα-helixtrans-66.2-46.9179.8-175-100.3000111.1F138 I139 I140 S145 L146F138-F142 WeakPolarHBondContact O-CB 3.28Å; F138-F142 PolarHBondContact O-N 2.72Å; I139-F142 PolarHBondContact O-N 2.67Å; I140-F142 VanDerWaalsContact C-N 3.35Å; I140-F142 PolarHBondContact O-N 2.93Å; F142-S145 PolarHBondContact O-N 3.4Å; F142-L146 WeakPolarHBondContact O-CB 3.1Å; F142-L146 PolarHBondContact O-N 2.87Å
143F65Low63.3Low59 Ų5964.5 Ų64.526%0.25934%0.341SS..Hα-helixtrans-63.3-48.5-179.7-173-93.6000111.8V21 I139 I140 L146 L147V21-F143 HydrophobicContact CB-CB 4.19Å; V21-F143 HydrophobicContact CB-CD1 4.01Å; V21-F143 HydrophobicContact CB-CD2 3.92Å; V21-F143 HydrophobicContact CB-CE1 4.3Å; V21-F143 HydrophobicContact CB-CE2 4.28Å; V21-F143 HydrophobicContact CB-CG 3.77Å; V21-F143 HydrophobicContact CB-CZ 4.46Å; V21-F143 HydrophobicContact CG1-CB 4.25Å; V21-F143 HydrophobicContact CG1-CD1 3.15Å; V21-F143 HydrophobicContact CG1-CD2 3.72Å; V21-F143 HydrophobicContact CG1-CE1 3.12Å; V21-F143 HydrophobicContact CG1-CE2 3.75Å; V21-F143 HydrophobicContact CG1-CG 3.42Å; V21-F143 VanDerWaalsContact CG1-CG 3.42Å; V21-F143 HydrophobicContact CG1-CZ 3.46Å; V21-F143 VanDerWaalsContact CG1-CZ 3.46Å; I139-F143 VanDerWaalsContact O-CB 3.23Å; I139-F143 WeakPolarHBondContact O-CB 3.32Å; I139-F143 PolarHBondContact O-N 2.89Å; I140-F143 PolarHBondContact O-N 3.43Å; F143-L146 WeakPolarHBondContact O-CB 3.45Å; F143-L146 PolarHBondContact O-N 2.92Å; F143-L147 HydrophobicContact CD1-CD1 3.67Å; F143-L147 HydrophobicContact CE1-CD1 3.01Å; F143-L147 HydrophobicContact CE1-CG 4.45Å; F143-L147 HydrophobicContact CE2-CD1 4.29Å; F143-L147 HydrophobicContact CZ-CD1 3.37Å; F143-L147 WeakPolarHBondContact O-CB 3.29Å; F143-L147 PolarHBondContact O-N 3.15Å
144F64.6Low61.2Low5 Ų569.9 Ų69.92%0.02237%0.367CS..Hα-helixtrans-69.5-34178.6-81.8-67.3000113F54 V57 V63 I140 L146 L147 L148 C159F54-F144 HydrophobicContact CB-CZ 3.82Å; F54-F144 HydrophobicContact CD2-CZ 4.35Å; F54-F144 HydrophobicContact CG-CZ 4.25Å; V57-F144 HydrophobicContact CB-CD1 4.16Å; V57-F144 HydrophobicContact CG1-CB 3.76Å; V57-F144 HydrophobicContact CG1-CD1 3.7Å; V57-F144 HydrophobicContact CG1-CE1 4.49Å; V57-F144 HydrophobicContact CG1-CG 3.77Å; V57-F144 HydrophobicContact CG2-CD1 3.42Å; V57-F144 VanDerWaalsContact CG2-CD1 3.42Å; V57-F144 HydrophobicContact CG2-CE1 3.36Å; V57-F144 HydrophobicContact CG2-CG 4.07Å; V57-F144 HydrophobicContact CG2-CZ 3.95Å; V63-F144 HydrophobicContact CG1-CD2 4.22Å; V63-F144 HydrophobicContact CG1-CE2 3.78Å; V63-F144 HydrophobicContact CG1-CZ 4.25Å; V63-F144 HydrophobicContact CG2-CD2 4.19Å; I140-F144 HydrophobicContact CG2-CD2 3.58Å; I140-F144 HydrophobicContact CG2-CE2 3.82Å; I140-F144 WeakPolarHBondContact O-CB 3.49Å; I140-F144 WeakPolarHBondContact O-CD2 3.5Å; I140-F144 PolarHBondContact O-N 2.98Å; F144-L146 VanDerWaalsContact C-N 3.3Å; F144-L146 PolarHBondContact O-N 3.43Å; F144-L147 PolarHBondContact O-N 3.24Å; F144-L148 WeakPolarHBondContact O-CB 3.35Å; F144-L148 VanDerWaalsContact O-CG 3.29Å; F144-L148 WeakPolarHBondContact O-CG 3.44Å; F144-L148 PolarHBondContact O-N 2.92Å; F144-C159 HydrophobicContact CZ-CB 4.04Å
145S61.5Low59Low69 Ų6979.2 Ų79.248%0.48340%0.4SS..Hα-helixtrans-62.5-39.8171.3-172.90000111.4N141 F142 S149N141-S145 WeakPolarHBondContact O-CB 3.35Å; N141-S145 PolarHBondContact O-N 3.14Å; F142-S145 PolarHBondContact O-N 3.4Å; S145-S149 PolarHBondContact O-N 2.81Å; S145-S149 VanDerWaalsContact O-N 3.15Å
146L57.5Low57.4Low105 Ų10580.7 Ų80.755%0.5541%0.405SS..Hα-helixtrans-67.3-41.6177.1-169.768.1000111.2F142 F143 F144 L148 S149 S150F142-L146 WeakPolarHBondContact O-CB 3.1Å; F142-L146 PolarHBondContact O-N 2.87Å; F143-L146 WeakPolarHBondContact O-CB 3.45Å; F143-L146 PolarHBondContact O-N 2.92Å; F144-L146 VanDerWaalsContact C-N 3.3Å; F144-L146 PolarHBondContact O-N 3.43Å; L146-L148 PolarHBondContact O-N 2.87Å; L146-S149 PolarHBondContact O-N 2.79Å; L146-S150 PolarHBondContact O-N 2.83Å
147L59.3Low56.4Low14 Ų1482 Ų827%0.07341%0.407CS..Hα-helixtrans-70.2-28.9179-118.8142.6000114.1F143 F144 S152 E156 R157F143-L147 HydrophobicContact CD1-CD1 3.67Å; F143-L147 HydrophobicContact CE1-CD1 3.01Å; F143-L147 HydrophobicContact CE1-CG 4.45Å; F143-L147 HydrophobicContact CE2-CD1 4.29Å; F143-L147 HydrophobicContact CZ-CD1 3.37Å; F143-L147 WeakPolarHBondContact O-CB 3.29Å; F143-L147 PolarHBondContact O-N 3.15Å; F144-L147 PolarHBondContact O-N 3.24Å; L147-S152 VanDerWaalsContact CD2-OG 3.23Å; L147-S152 WeakPolarHBondContact CD2-OG 3.48Å; L147-S152 PolarHBondContact O-OG 3.1Å; L147-E156 VanDerWaalsContact CD1-O 3.23Å; L147-E156 WeakPolarHBondContact CD1-O 3.34Å; L147-E156 VanDerWaalsContact CD2-C 3.48Å; L147-E156 HydrophobicContact CD2-CB 3.88Å; L147-E156 WeakPolarHBondContact CD2-O 3.36Å; L147-R157 HydrophobicContact CD2-CB 4.19Å; L147-R157 HydrophobicContact CD2-CG 3.4Å; L147-R157 VanDerWaalsContact CD2-CG 3.4Å
148L59.4Low55.7Low68 Ų6885.4 Ų85.436%0.35642%0.422SS..Hα-helixtrans-76.6-28.1171.9-71.9170.4000112V57 P59 F144 L146V57-L148 HydrophobicContact CG1-CD1 4.15Å; P59-L148 HydrophobicContact CB-CD1 3.9Å; P59-L148 HydrophobicContact CG-CD1 3.67Å; F144-L148 WeakPolarHBondContact O-CB 3.35Å; F144-L148 VanDerWaalsContact O-CG 3.29Å; F144-L148 WeakPolarHBondContact O-CG 3.44Å; F144-L148 PolarHBondContact O-N 2.92Å; L146-L148 PolarHBondContact O-N 2.87Å
149S57.5Low55.2Low101 Ų10179.3 Ų79.371%0.70640%0.395SS*.Hα-helixtrans-76.4-30.5174.9-172.80000112.9S145 L146S145-S149 PolarHBondContact O-N 2.81Å; S145-S149 VanDerWaalsContact O-N 3.15Å; L146-S149 PolarHBondContact O-N 2.79Å
150S52.8Low54.8Low64 Ų6479.5 Ų79.545%0.44840%0.397SS..THydrogen-bonded Turntrans-78.3136170.7-169.50000108.9L146 S152L146-S150 PolarHBondContact O-N 2.83Å; S150-S152 PolarHBondContact O-N 3.01Å; S150-S152 PolarHBondContact O-OG 2.65Å
151K51.3Low54.4Low220 Ų22079.5 Ų79.596%0.95740%0.397SS*.THydrogen-bonded Turntrans-71.638.5170.1-71.2-175.1176.9177.90111.2
152S44.9Very low53.7Low11 Ų1182.8 Ų82.88%0.07741%0.409CS..  trans-77.1139.6-177.142.30000110.9L147 S150 E156L147-S152 VanDerWaalsContact CD2-OG 3.23Å; L147-S152 WeakPolarHBondContact CD2-OG 3.48Å; L147-S152 PolarHBondContact O-OG 3.1Å; S150-S152 PolarHBondContact O-N 3.01Å; S150-S152 PolarHBondContact O-OG 2.65Å; S152-E156 WeakPolarHBondContact CB-OE2 3.41Å
153S44.2Very low52.9Low82 Ų8276.9 Ų76.957%0.57339%0.385SS*.  trans-59.6153.6-179-169.50000110.8R155 E156S153-R155 PolarHBondContact O-N 3.41Å; S153-E156 PolarHBondContact O-N 3.25Å
154Q46.9Very low52.5Low151 Ų15175 Ų7571%0.70638%0.378SS*.G310 helixtrans-52.1-27.3-175.3-165.5156.4-19.900113.6E156 R157Q154-E156 PolarHBondContact O-N 2.84Å; Q154-R157 WeakPolarHBondContact O-CB 3.39Å; Q154-R157 PolarHBondContact O-N 2.77Å
155R40.9Very low52.1Low205 Ų20576.8 Ų76.877%0.77439%0.389SS*.G310 helixtrans-64.1-30.3174.7-72-175.2-179.9172-0.1114.8S153 R157 E158S153-R155 PolarHBondContact O-N 3.41Å; R155-R157 VanDerWaalsContact C-N 3.26Å; R155-R157 PolarHBondContact O-N 3.03Å; R155-E158 VanDerWaalsContact O-CB 3.32Å; R155-E158 WeakPolarHBondContact O-CB 3.02Å; R155-E158 WeakPolarHBondContact O-CG 3.47Å; R155-E158 PolarHBondContact O-N 2.78Å
156E41.2Very low51.8Low121 Ų12174 Ų7457%0.56537%0.37SS*.G310 helixtrans-78.7-14.1178.1-68.8180-158.700112.2L147 S152 S153 Q154 E158L147-E156 VanDerWaalsContact CD1-O 3.23Å; L147-E156 WeakPolarHBondContact CD1-O 3.34Å; L147-E156 VanDerWaalsContact CD2-C 3.48Å; L147-E156 HydrophobicContact CD2-CB 3.88Å; L147-E156 WeakPolarHBondContact CD2-O 3.36Å; S152-E156 WeakPolarHBondContact CB-OE2 3.41Å; S153-E156 PolarHBondContact O-N 3.25Å; Q154-E156 PolarHBondContact O-N 2.84Å; E156-E158 PolarHBondContact O-N 3.04Å
157R48.5Very low51.7Low90 Ų9074.3 Ų74.334%0.3437%0.367SS..G310 helixtrans-78.1-5.9174-60.8173.5-173.6-178.41.5112.4L147 Q154 R155 C159L147-R157 HydrophobicContact CD2-CB 4.19Å; L147-R157 HydrophobicContact CD2-CG 3.4Å; L147-R157 VanDerWaalsContact CD2-CG 3.4Å; Q154-R157 WeakPolarHBondContact O-CB 3.39Å; Q154-R157 PolarHBondContact O-N 2.77Å; R155-R157 VanDerWaalsContact C-N 3.26Å; R155-R157 PolarHBondContact O-N 3.03Å; R157-C159 PolarHBondContact O-N 2.88Å
158E52.5Low51Low77 Ų7782 Ų8236%0.3640%0.4SS..  trans-76.389.5-177.7-62.6179.1-168.600109.5I53 R155 E156 L160I53-E158 HydrophobicContact CB-CG 4.37Å; I53-E158 HydrophobicContact CG2-CB 3.78Å; I53-E158 HydrophobicContact CG2-CG 3.77Å; R155-E158 VanDerWaalsContact O-CB 3.32Å; R155-E158 WeakPolarHBondContact O-CB 3.02Å; R155-E158 WeakPolarHBondContact O-CG 3.47Å; R155-E158 PolarHBondContact O-N 2.78Å; E156-E158 PolarHBondContact O-N 3.04Å; E158-L160 PolarHBondContact O-N 2.9Å
159C54.3Low50.4Low1 Ų182.2 Ų82.21%0.00741%0.407CS..  trans-8098.2165.6170.90000107.7T19 T20 V21 F54 F144 R157T19-C159 WeakPolarHBondContact CB-SG 3.46Å; T20-C159 WeakPolarHBondContact OG1-CA 3.47Å; V21-C159 HydrophobicContact CG1-CB 3.93Å; F54-C159 HydrophobicContact CD2-CB 3.61Å; F54-C159 WeakPolarHBondContact CD2-O 3.2Å; F54-C159 HydrophobicContact CE2-CB 4.09Å; F54-C159 VanDerWaalsContact CE2-SG 3.53Å; F144-C159 HydrophobicContact CZ-CB 4.04Å; R157-C159 PolarHBondContact O-N 2.88Å
160L56.5Low50Low43 Ų4377.6 Ų77.623%0.22538%0.375CS..  trans-78.3132.5-180-65.3172.1000109.6T19 T20 N51 I53 E158 F162T19-L160 VanDerWaalsContact CA-O 3.26Å; T19-L160 WeakPolarHBondContact CA-O 3.42Å; T20-L160 HydrophobicContact CG2-CB 4.09Å; T20-L160 PolarHBondContact N-O 3.21Å; N51-L160 HydrophobicContact CB-CD2 4.39Å; N51-L160 WeakPolarHBondContact O-CD2 3.44Å; I53-L160 HydrophobicContact CG2-CD2 3.79Å; E158-L160 PolarHBondContact O-N 2.9Å; L160-F162 HydrophobicContact CB-CD2 4.19Å; L160-F162 HydrophobicContact CB-CE2 3.65Å; L160-F162 HydrophobicContact CB-CZ 4.04Å; L160-F162 HydrophobicContact CD1-CE2 4.28Å; L160-F162 HydrophobicContact CD1-CZ 3.92Å; L160-F162 WeakPolarHBondContact O-CD2 3.27Å
161L57.2Low49.8Very low2 Ų275.7 Ų75.71%0.0136%0.358CS..EExtended strand (participates in β ladder)trans-82.3119.9169.3-156.792.6000110.2L17 K18 T19 Y49 N50 N51 T52 I164L17-L161 HydrophobicContact CB-CD1 3.61Å; L17-L161 HydrophobicContact CD1-CD1 3.89Å; L17-L161 HydrophobicContact CD2-CD1 3.83Å; L17-L161 HydrophobicContact CD2-CD2 3.9Å; L17-L161 HydrophobicContact CD2-CG 4.43Å; L17-L161 HydrophobicContact CG-CD1 3.96Å; K18-L161 CarbonylContact O-C 3.45Å; K18-L161 WeakPolarHBondContact O-CA 3.33Å; T19-L161 HydrophobicContact CG2-CD1 3.53Å; Y49-L161 HydrophobicContact CG-CD2 4.45Å; Y49-L161 VanDerWaalsContact O-CB 3.27Å; Y49-L161 WeakPolarHBondContact O-CB 3.24Å; N50-L161 CarbonylContact C-O 3.44Å; N50-L161 VanDerWaalsContact CA-O 3.3Å; N50-L161 WeakPolarHBondContact CA-O 2.86Å; N51-L161 PolarHBondContact N-O 2.84Å; T52-L161 PolarHBondContact O-N 2.88Å; L161-I164 HydrophobicContact CD2-CD1 3.57Å; L161-I164 HydrophobicContact CD2-CG1 3.76Å
162F49.8Very low49.4Very low117 Ų11775.3 Ų75.351%0.51335%0.351SS..EExtended strand (participates in β ladder)trans-100.2-15-174.7-82.5-77000114.9K18 T20 L160K18-F162 HydrophobicContact CB-CB 4.38Å; K18-F162 PolarHBondContact O-N 2.92Å; T20-F162 HydrophobicContact CG2-CD2 4.36Å; T20-F162 HydrophobicContact CG2-CE2 3.61Å; L160-F162 HydrophobicContact CB-CD2 4.19Å; L160-F162 HydrophobicContact CB-CE2 3.65Å; L160-F162 HydrophobicContact CB-CZ 4.04Å; L160-F162 HydrophobicContact CD1-CE2 4.28Å; L160-F162 HydrophobicContact CD1-CZ 3.92Å; L160-F162 WeakPolarHBondContact O-CD2 3.27Å
163G45.5Very low49.4Very low9 Ų977.8 Ų77.89%0.09336%0.363CS..EExtended strand (participates in β ladder)trans167.7163.7178.400000113.6K18K18-G163 PolarHBondContact N-O 3.39Å
164I56.5Low49.5Very low19 Ų1975 Ų7510%0.09734%0.342CS..EExtended strand (participates in β ladder)trans-131.6125.7-172-58.6-177000111.6V15 C16 L17 C44 Y49 L161V15-I164 HydrophobicContact CG1-CG2 3.48Å; V15-I164 VanDerWaalsContact CG1-CG2 3.48Å; C16-I164 VanDerWaalsContact O-CA 3.26Å; C16-I164 WeakPolarHBondContact O-CA 3.45Å; L17-I164 HydrophobicContact CD2-CD1 3.42Å; L17-I164 VanDerWaalsContact CD2-CD1 3.42Å; L17-I164 HydrophobicContact CD2-CG1 3.67Å; C44-I164 HydrophobicContact CB-CB 4.02Å; C44-I164 HydrophobicContact CB-CD1 3.37Å; C44-I164 HydrophobicContact CB-CG1 4.27Å; C44-I164 HydrophobicContact CB-CG2 3.64Å; C44-I164 WeakPolarHBondContact SG-CD1 3.47Å; Y49-I164 HydrophobicContact CD2-CD1 4.09Å; L161-I164 HydrophobicContact CD2-CD1 3.57Å; L161-I164 HydrophobicContact CD2-CG1 3.76Å
165V56.4Low49.2Very low43 Ų4370.7 Ų70.726%0.26133%0.332SS..EExtended strand (participates in β ladder)trans-108.9108.7171.5-175.90000108.7C16C16-V165 HydrophobicContact CB-CB 4.35Å; C16-V165 PolarHBondContact N-O 3.39Å; C16-V165 PolarHBondContact O-N 3.28Å
166A54.7Low49.4Very low10 Ų1066.9 Ų66.98%0.08333%0.326CS..EExtended strand (participates in β ladder)trans-84.7124.6168.500000109.3K14 F171K14-A166 WeakPolarHBondContact O-CA 3.39Å; A166-F171 HydrophobicContact CB-CE2 4.1Å
167K55Low49.5Very low112 Ų11266.7 Ų66.749%0.48733%0.328SS..  trans-79.3133.9176.7-68.8-167.3-179.9-176.70110.7K14 S169 F170K14-K167 HydrophobicContact CD-CD 4.4Å; K14-K167 PolarHBondContact O-N 2.81Å; K167-S169 PolarHBondContact O-N 3.11Å; K167-F170 PolarHBondContact O-N 2.99Å
168K44.7Very low49Very low176 Ų17663.7 Ų63.777%0.76532%0.321SS*.THydrogen-bonded Turntrans-47.8-17.7-168.2-159.1172.4-175.6174.70117.3F170K168-F170 PolarHBondContact O-N 3.33Å
169S47Very low48.2Very low72 Ų7269.9 Ų69.950%0.50335%0.347SS..Hα-helixtrans-69.1-19.2178.657.20000114K167 N173K167-S169 PolarHBondContact O-N 3.11Å; S169-N173 PolarHBondContact O-ND2 2.81Å
170F49.3Very low47.4Very low5 Ų572 Ų722%0.02237%0.37CS..Hα-helixtrans-71.8-46.8-177.9-171.6-103.9000113.3G13 L28 C37 V41 K167 K168 R172 N173 L174G13-F170 VanDerWaalsContact CA-CD2 3.49Å; L28-F170 HydrophobicContact CD1-CE2 3.97Å; L28-F170 HydrophobicContact CD1-CZ 4.36Å; C37-F170 HydrophobicContact CB-CE2 4.47Å; C37-F170 HydrophobicContact CB-CZ 4.26Å; V41-F170 HydrophobicContact CB-CD1 4.44Å; V41-F170 HydrophobicContact CB-CE1 3.74Å; V41-F170 HydrophobicContact CB-CZ 4.19Å; V41-F170 HydrophobicContact CG1-CD1 3.96Å; V41-F170 HydrophobicContact CG1-CE1 3.69Å; V41-F170 HydrophobicContact CG2-CD1 4.14Å; V41-F170 HydrophobicContact CG2-CE1 3.54Å; V41-F170 HydrophobicContact CG2-CE2 4.31Å; V41-F170 HydrophobicContact CG2-CZ 3.62Å; K167-F170 PolarHBondContact O-N 2.99Å; K168-F170 PolarHBondContact O-N 3.33Å; F170-R172 PolarHBondContact O-N 3.3Å; F170-N173 PolarHBondContact O-N 3.36Å; F170-L174 HydrophobicContact CE1-CD1 4.26Å; F170-L174 HydrophobicContact CE1-CD2 4.19Å; F170-L174 HydrophobicContact CZ-CD1 4.31Å; F170-L174 PolarHBondContact O-N 2.77Å; F170-L174 VanDerWaalsContact O-N 3.14Å
171F48.5Very low46.8Very low24 Ų2478.1 Ų78.111%0.10540%0.402CS..Hα-helixtrans-67.7-33.9-171.2-75-71.3000113.8V41 V45 A166 N173 L174 A175 L190 A193V41-F171 HydrophobicContact CG1-CZ 4.24Å; V45-F171 HydrophobicContact CG2-CZ 4.15Å; A166-F171 HydrophobicContact CB-CE2 4.1Å; F171-N173 PolarHBondContact O-N 2.73Å; F171-L174 PolarHBondContact O-N 3.22Å; F171-A175 PolarHBondContact O-N 2.8Å; F171-A175 VanDerWaalsContact O-N 3.13Å; F171-L190 HydrophobicContact CB-CD1 3.92Å; F171-L190 HydrophobicContact CB-CD2 4.2Å; F171-L190 HydrophobicContact CB-CG 4.16Å; F171-L190 HydrophobicContact CD1-CD1 3.36Å; F171-L190 HydrophobicContact CD1-CG 3.84Å; F171-L190 HydrophobicContact CE1-CD1 4.13Å; F171-L190 HydrophobicContact CE1-CG 4.44Å; F171-L190 HydrophobicContact CG-CD1 3.89Å; F171-L190 HydrophobicContact CG-CG 4.03Å; F171-A193 HydrophobicContact CE2-CB 4.44Å; F171-A193 HydrophobicContact CZ-CB 4.03Å
172R43.1Very low46.4Very low212 Ų21283 Ų8380%0.843%0.425SS*.Hα-helixtrans-63.9-30.2177.9-129.4-179.6170.4-169.4-4.6112.7F170 L176F170-R172 PolarHBondContact O-N 3.3Å; R172-L176 WeakPolarHBondContact O-CD1 3.36Å
173N44.7Very low46.1Very low63 Ų6380 Ų8034%0.33742%0.422SS..Hα-helixtrans-88.1-28.2177.8-73.6-44.1000112.6N12 S169 F170 F171 L176 L177N12-N173 PolarHBondContact ND2-ND2 3.34Å; N12-N173 PolarHBondContact OD1-ND2 3.16Å; N12-N173 VanDerWaalsContact OD1-ND2 3.1Å; S169-N173 PolarHBondContact O-ND2 2.81Å; F170-N173 PolarHBondContact O-N 3.36Å; F171-N173 PolarHBondContact O-N 2.73Å; N173-L176 PolarHBondContact O-N 2.55Å; N173-L177 WeakPolarHBondContact O-CG 3.16Å; N173-L177 PolarHBondContact O-N 3.42Å
174L46.2Very low46.2Very low24 Ų2487.6 Ų87.613%0.12645%0.453CS..Hα-helixtrans-68.1-46.4176.3-158.675.4000110.8R38 F170 F171 L176 L177 S178R38-L174 HydrophobicContact CB-CD1 4.44Å; R38-L174 HydrophobicContact CG-CD1 4.49Å; R38-L174 HydrophobicContact CG-CD2 4.36Å; F170-L174 HydrophobicContact CE1-CD1 4.26Å; F170-L174 HydrophobicContact CE1-CD2 4.19Å; F170-L174 HydrophobicContact CZ-CD1 4.31Å; F170-L174 PolarHBondContact O-N 2.77Å; F170-L174 VanDerWaalsContact O-N 3.14Å; F171-L174 PolarHBondContact O-N 3.22Å; L174-L176 PolarHBondContact O-N 3.46Å; L174-L176 VanDerWaalsContact O-N 3.15Å; L174-L177 PolarHBondContact O-N 2.81Å; L174-S178 PolarHBondContact O-N 2.86Å; L174-S178 PolarHBondContact O-OG 3.47Å
175A41.7Very low46.1Very low60 Ų6093.8 Ų93.850%0.49648%0.481SS..THydrogen-bonded Turntrans-61.6-22.2175.900000114F171 S178F171-A175 PolarHBondContact O-N 2.8Å; F171-A175 VanDerWaalsContact O-N 3.13Å; A175-S178 WeakPolarHBondContact CA-OG 3.29Å
176L44.1Very low45.8Very low125 Ų12592.9 Ų92.965%0.65447%0.474SS*.THydrogen-bonded Turntrans-83.7-16.6174.3-80.8167.9000113.1R172 N173 L174R172-L176 WeakPolarHBondContact O-CD1 3.36Å; N173-L176 PolarHBondContact O-N 2.55Å; L174-L176 PolarHBondContact O-N 3.46Å; L174-L176 VanDerWaalsContact O-N 3.15Å
177L43.2Very low45.6Very low117 Ų11799.2 Ų99.261%0.61350%0.502SS*.THydrogen-bonded Turntrans-92.3-20.5176.8-71.7166.4000112.2N173 L174 F179N173-L177 WeakPolarHBondContact O-CG 3.16Å; N173-L177 PolarHBondContact O-N 3.42Å; L174-L177 PolarHBondContact O-N 2.81Å; L177-F179 PolarHBondContact O-N 3.05Å
178S38.9Very low45.6Very low26 Ų26100.1 Ų100.118%0.18251%0.508CS..  trans-88.773.4175.221.60000111.7L174 A175 G180 E186L174-S178 PolarHBondContact O-N 2.86Å; L174-S178 PolarHBondContact O-OG 3.47Å; A175-S178 WeakPolarHBondContact CA-OG 3.29Å; S178-G180 PolarHBondContact O-N 3.29Å; S178-E186 WeakPolarHBondContact CB-OE2 3.16Å; S178-E186 PolarHBondContact OG-OE2 3.28Å
179F35.8Very low46.1Very low207 Ų20793.7 Ų93.791%0.90849%0.487SS*.  trans-74.1101.7156.1-84-87.4000108.4L177L177-F179 PolarHBondContact O-N 3.05Å
180G37.6Very low46.4Very low47 Ų4792.9 Ų92.949%0.48548%0.477SS..SBendtrans152.7158.9173.900000112.4S178 E182 A183S178-G180 PolarHBondContact O-N 3.29Å; G180-E182 PolarHBondContact O-N 3.29Å; G180-A183 PolarHBondContact O-N 3.14Å
181D43.4Very low46.7Very low170 Ų17097.5 Ų97.591%0.90950%0.499SS*.THydrogen-bonded Turntrans-54.7-3.3-171.9-66.5-50.7000116.6A183D181-A183 PolarHBondContact O-N 3.42Å
182E48.1Very low47.3Very low105 Ų105100.9 Ų100.949%0.49152%0.517SS..THydrogen-bonded Turntrans-66.6-9.3169.6-68.7-174.6-175.400114.1R38 G180 K184 E185 E186R38-E182 IonicContact CZ-OE2 2.86Å; R38-E182 IonicContact NH1-OE2 3.15Å; R38-E182 PolarHBondContact NH1-OE2 3.48Å; R38-E182 IonicContact NH2-OE2 2.67Å; R38-E182 PolarHBondContact NH2-OE2 3.22Å; G180-E182 PolarHBondContact O-N 3.29Å; E182-K184 PolarHBondContact O-N 3.13Å; E182-E185 PolarHBondContact O-N 3Å; E182-E186 PolarHBondContact O-N 2.91Å
183A44.5Very low47.8Very low54 Ų5491 Ų9145%0.44648%0.481SS..Hα-helixtrans-60.2-26.7-177.300000114.4G180 D181 E186 E187G180-A183 PolarHBondContact O-N 3.14Å; D181-A183 PolarHBondContact O-N 3.42Å; A183-E186 PolarHBondContact O-N 2.98Å; A183-E187 PolarHBondContact O-N 3.1Å
184K47.2Very low48.2Very low169 Ų16991 Ų9174%0.73548%0.481SS*.Hα-helixtrans-73.6-42.6-179.3-73.4-176.9178.3174.70113.1E182 E186 E187 E188E182-K184 PolarHBondContact O-N 3.13Å; K184-E186 PolarHBondContact O-N 2.67Å; K184-E187 PolarHBondContact O-N 3.41Å; K184-E188 PolarHBondContact O-N 3.26Å
185E53.2Low48.9Very low149 Ų14995.8 Ų95.870%0.69650%0.501SS*.Hα-helixtrans-66.2-32.3174.2-69.4-174.6173.300110.9E182 A189E182-E185 PolarHBondContact O-N 3Å; E185-A189 VanDerWaalsContact O-CB 3.31Å; E185-A189 WeakPolarHBondContact O-CB 3.46Å; E185-A189 PolarHBondContact O-N 3.07Å
186E50.5Low49.7Very low24 Ų2495.6 Ų95.611%0.11249%0.493CS..Hα-helixtrans-69.8-34.5174.9-72.8-165.7152.100113.2R38 S178 E182 A183 K184 A189 L190R38-E186 IonicContact CZ-OE1 2.81Å; R38-E186 IonicContact NE-OE1 3.33Å; R38-E186 PolarHBondContact NE-OE1 2.89Å; R38-E186 VanDerWaalsContact NE-OE1 3.12Å; R38-E186 IonicContact NH2-OE1 2.8Å; R38-E186 PolarHBondContact NH2-OE1 3.28Å; S178-E186 WeakPolarHBondContact CB-OE2 3.16Å; S178-E186 PolarHBondContact OG-OE2 3.28Å; E182-E186 PolarHBondContact O-N 2.91Å; A183-E186 PolarHBondContact O-N 2.98Å; K184-E186 PolarHBondContact O-N 2.67Å; E186-A189 PolarHBondContact O-N 3.13Å; E186-L190 WeakPolarHBondContact O-CB 3.36Å; E186-L190 WeakPolarHBondContact O-CD1 3.45Å; E186-L190 PolarHBondContact O-N 2.85Å
187E51.8Low50.2Low142 Ų14291.9 Ų91.966%0.66447%0.473SS*.Hα-helixtrans-67.4-43.7175.2-166.6168.5-162.100111.3A183 K184 L190 E191A183-E187 PolarHBondContact O-N 3.1Å; K184-E187 PolarHBondContact O-N 3.41Å; E187-L190 WeakPolarHBondContact O-CB 3.44Å; E187-L190 PolarHBondContact O-N 3.14Å; E187-E191 PolarHBondContact O-N 2.93Å
188E54.9Low50.5Low131 Ų13191.4 Ų91.461%0.61247%0.471SS*.Hα-helixtrans-62.6-43.8172.9-73.9-173.4170.800111.8K184 L190 E191 I192K184-E188 PolarHBondContact O-N 3.26Å; E188-L190 VanDerWaalsContact C-N 3.29Å; E188-L190 PolarHBondContact O-N 3.47Å; E188-E191 PolarHBondContact O-N 2.78Å; E188-E191 VanDerWaalsContact O-N 3.16Å; E188-I192 WeakPolarHBondContact O-CB 3.47Å; E188-I192 VanDerWaalsContact O-CG1 3.26Å; E188-I192 WeakPolarHBondContact O-CG1 3.14Å; E188-I192 PolarHBondContact O-N 3.18Å
189A53.8Low50.9Low41 Ų4192.5 Ų92.534%0.33948%0.479SS..Hα-helixtrans-62.9-36.2175.600000112E185 E186 A193E185-A189 VanDerWaalsContact O-CB 3.31Å; E185-A189 WeakPolarHBondContact O-CB 3.46Å; E185-A189 PolarHBondContact O-N 3.07Å; E186-A189 PolarHBondContact O-N 3.13Å; A189-A193 WeakPolarHBondContact O-CB 3.41Å; A189-A193 PolarHBondContact O-N 2.98Å
190L53.9Low51.7Low55 Ų5584.9 Ų84.929%0.28845%0.447SS..Hα-helixtrans-64.9-43172.4-117.699.4000111.6F171 E186 E187 E188 A193 N194F171-L190 HydrophobicContact CB-CD1 3.92Å; F171-L190 HydrophobicContact CB-CD2 4.2Å; F171-L190 HydrophobicContact CB-CG 4.16Å; F171-L190 HydrophobicContact CD1-CD1 3.36Å; F171-L190 HydrophobicContact CD1-CG 3.84Å; F171-L190 HydrophobicContact CE1-CD1 4.13Å; F171-L190 HydrophobicContact CE1-CG 4.44Å; F171-L190 HydrophobicContact CG-CD1 3.89Å; F171-L190 HydrophobicContact CG-CG 4.03Å; E186-L190 WeakPolarHBondContact O-CB 3.36Å; E186-L190 WeakPolarHBondContact O-CD1 3.45Å; E186-L190 PolarHBondContact O-N 2.85Å; E187-L190 WeakPolarHBondContact O-CB 3.44Å; E187-L190 PolarHBondContact O-N 3.14Å; E188-L190 VanDerWaalsContact C-N 3.29Å; E188-L190 PolarHBondContact O-N 3.47Å; L190-A193 PolarHBondContact O-N 2.73Å; L190-N194 VanDerWaalsContact O-CB 3.3Å; L190-N194 WeakPolarHBondContact O-CB 3.14Å; L190-N194 VanDerWaalsContact O-CG 3.25Å; L190-N194 PolarHBondContact O-N 2.97Å; L190-N194 PolarHBondContact O-ND2 3.36Å; L190-N194 VanDerWaalsContact O-ND2 3.08Å
191E55.9Low52.2Low103 Ų10389.9 Ų89.948%0.48145%0.451SS..Hα-helixtrans-67.1-42.3-179.3-159.4-176.1151.900110.7E187 E188 N194 K195E187-E191 PolarHBondContact O-N 2.93Å; E188-E191 PolarHBondContact O-N 2.78Å; E188-E191 VanDerWaalsContact O-N 3.16Å; E191-N194 PolarHBondContact O-N 2.84Å; E191-K195 WeakPolarHBondContact O-CB 3.01Å; E191-K195 WeakPolarHBondContact O-CG 3.39Å; E191-K195 PolarHBondContact O-N 2.84Å; E191-K195 VanDerWaalsContact OE1-CE 3.3Å; E191-K195 WeakPolarHBondContact OE1-CE 3.48Å; E191-K195 IonicContact OE1-NZ 2.73Å; E191-K195 PolarHBondContact OE1-NZ 2.72Å
192I61.2Low52.4Low94 Ų9487.4 Ų87.448%0.48243%0.434SS..Hα-helixtrans-62.8-47.4172.7-65.5165.5000110.1E188 N194 K195 V196E188-I192 WeakPolarHBondContact O-CB 3.47Å; E188-I192 VanDerWaalsContact O-CG1 3.26Å; E188-I192 WeakPolarHBondContact O-CG1 3.14Å; E188-I192 PolarHBondContact O-N 3.18Å; I192-N194 VanDerWaalsContact C-N 3.33Å; I192-N194 PolarHBondContact O-N 3.28Å; I192-K195 PolarHBondContact O-N 2.99Å; I192-V196 HydrophobicContact CG2-CG2 4.23Å; I192-V196 WeakPolarHBondContact O-CB 3.3Å; I192-V196 VanDerWaalsContact O-CG2 3.27Å; I192-V196 WeakPolarHBondContact O-CG2 3.16Å; I192-V196 PolarHBondContact O-N 2.99Å
193A54.5Low52.6Low5 Ų588.6 Ų88.64%0.04144%0.443CS..Hα-helixtrans-59.6-43.7177.500000111.5V45 F171 A189 L190 V196 I197V45-A193 HydrophobicContact CG1-CB 3.78Å; V45-A193 HydrophobicContact CG2-CB 3.98Å; F171-A193 HydrophobicContact CE2-CB 4.44Å; F171-A193 HydrophobicContact CZ-CB 4.03Å; A189-A193 WeakPolarHBondContact O-CB 3.41Å; A189-A193 PolarHBondContact O-N 2.98Å; L190-A193 PolarHBondContact O-N 2.73Å; A193-V196 PolarHBondContact O-N 2.95Å; A193-I197 VanDerWaalsContact O-CB 3.29Å; A193-I197 WeakPolarHBondContact O-CB 3.14Å; A193-I197 WeakPolarHBondContact O-CD1 3.39Å; A193-I197 WeakPolarHBondContact O-CG1 3.33Å; A193-I197 PolarHBondContact O-N 2.75Å
194N53.1Low53Low62 Ų6289.6 Ų89.633%0.33244%0.44SS..Hα-helixtrans-65.2-41.4176.8-76.7-39.6000111.5L190 E191 I192 I197 L198L190-N194 VanDerWaalsContact O-CB 3.3Å; L190-N194 WeakPolarHBondContact O-CB 3.14Å; L190-N194 VanDerWaalsContact O-CG 3.25Å; L190-N194 PolarHBondContact O-N 2.97Å; L190-N194 PolarHBondContact O-ND2 3.36Å; L190-N194 VanDerWaalsContact O-ND2 3.08Å; E191-N194 PolarHBondContact O-N 2.84Å; I192-N194 VanDerWaalsContact C-N 3.33Å; I192-N194 PolarHBondContact O-N 3.28Å; N194-I197 PolarHBondContact O-N 3.18Å; N194-L198 VanDerWaalsContact O-CB 3.31Å; N194-L198 WeakPolarHBondContact O-CB 3.41Å; N194-L198 WeakPolarHBondContact O-CD1 3.27Å; N194-L198 WeakPolarHBondContact O-CG 3.37Å; N194-L198 PolarHBondContact O-N 2.95Å
195K59.5Low53.4Low126 Ų12688.9 Ų88.955%0.54843%0.434SS..Hα-helixtrans-62.6-44.1174.9-78.1174.9-175.6162.10111.7E191 I192 L198 S199E191-K195 WeakPolarHBondContact O-CB 3.01Å; E191-K195 WeakPolarHBondContact O-CG 3.39Å; E191-K195 PolarHBondContact O-N 2.84Å; E191-K195 VanDerWaalsContact OE1-CE 3.3Å; E191-K195 WeakPolarHBondContact OE1-CE 3.48Å; E191-K195 IonicContact OE1-NZ 2.73Å; E191-K195 PolarHBondContact OE1-NZ 2.72Å; I192-K195 PolarHBondContact O-N 2.99Å; K195-L198 PolarHBondContact O-N 3.4Å; K195-S199 WeakPolarHBondContact O-CB 2.99Å; K195-S199 PolarHBondContact O-N 3.28Å; K195-S199 PolarHBondContact O-OG 3.43Å
196V58.1Low53.4Low56 Ų5686 Ų8634%0.33943%0.43SS..Hα-helixtrans-67.3-41.9177.6172.90000111.3I192 A193 S199 I200I192-V196 HydrophobicContact CG2-CG2 4.23Å; I192-V196 WeakPolarHBondContact O-CB 3.3Å; I192-V196 VanDerWaalsContact O-CG2 3.27Å; I192-V196 WeakPolarHBondContact O-CG2 3.16Å; I192-V196 PolarHBondContact O-N 2.99Å; A193-V196 PolarHBondContact O-N 2.95Å; V196-S199 WeakPolarHBondContact CA-OG 3.3Å; V196-S199 PolarHBondContact O-N 3.11Å; V196-S199 PolarHBondContact O-OG 3.19Å; V196-I200 HydrophobicContact CG1-CD1 3.69Å; V196-I200 HydrophobicContact CG1-CG1 4.38Å; V196-I200 WeakPolarHBondContact O-CB 3.18Å; V196-I200 VanDerWaalsContact O-CG1 3.23Å; V196-I200 WeakPolarHBondContact O-CG1 3.27Å; V196-I200 PolarHBondContact O-N 3.26Å
197I54.7Low52.9Low47 Ų4794.4 Ų94.424%0.24148%0.476CS..Hα-helixtrans-62.5-44.4175.5-71.3164.3000110.2A193 N194 W201A193-I197 VanDerWaalsContact O-CB 3.29Å; A193-I197 WeakPolarHBondContact O-CB 3.14Å; A193-I197 WeakPolarHBondContact O-CD1 3.39Å; A193-I197 WeakPolarHBondContact O-CG1 3.33Å; A193-I197 PolarHBondContact O-N 2.75Å; N194-I197 PolarHBondContact O-N 3.18Å; I197-W201 VanDerWaalsContact O-CB 3.26Å; I197-W201 WeakPolarHBondContact O-CB 3.16Å; I197-W201 PolarHBondContact O-N 2.97Å
198L50.6Low53Low106 Ų10692.1 Ų92.156%0.55547%0.467SS*.Hα-helixtrans-64.4-42.4177.3-75.8167.4000111.9N194 K195 W201 Q202N194-L198 VanDerWaalsContact O-CB 3.31Å; N194-L198 WeakPolarHBondContact O-CB 3.41Å; N194-L198 WeakPolarHBondContact O-CD1 3.27Å; N194-L198 WeakPolarHBondContact O-CG 3.37Å; N194-L198 PolarHBondContact O-N 2.95Å; K195-L198 PolarHBondContact O-N 3.4Å; L198-W201 PolarHBondContact O-N 3.11Å; L198-Q202 WeakPolarHBondContact O-CB 3.48Å; L198-Q202 WeakPolarHBondContact O-CG 3.39Å; L198-Q202 PolarHBondContact O-N 3.41Å
199S47.9Very low52.9Low50 Ų5090 Ų9035%0.3546%0.459SS..Hα-helixtrans-67.3-4017968.10000112K195 V196 Q202 L203K195-S199 WeakPolarHBondContact O-CB 2.99Å; K195-S199 PolarHBondContact O-N 3.28Å; K195-S199 PolarHBondContact O-OG 3.43Å; V196-S199 WeakPolarHBondContact CA-OG 3.3Å; V196-S199 PolarHBondContact O-N 3.11Å; V196-S199 PolarHBondContact O-OG 3.19Å; S199-Q202 PolarHBondContact O-N 3.16Å; S199-L203 WeakPolarHBondContact O-CB 3.26Å; S199-L203 PolarHBondContact O-N 3.28Å
200I51.7Low52.9Low46 Ų4692.7 Ų92.724%0.23647%0.466CS..Hα-helixtrans-67.3-40.6175.1-68.5170.4000110.4V196 L203 I204V196-I200 HydrophobicContact CG1-CD1 3.69Å; V196-I200 HydrophobicContact CG1-CG1 4.38Å; V196-I200 WeakPolarHBondContact O-CB 3.18Å; V196-I200 VanDerWaalsContact O-CG1 3.23Å; V196-I200 WeakPolarHBondContact O-CG1 3.27Å; V196-I200 PolarHBondContact O-N 3.26Å; I200-L203 PolarHBondContact O-N 3.14Å; I200-I204 HydrophobicContact CG2-CD1 3.51Å; I200-I204 HydrophobicContact CG2-CG1 4.3Å; I200-I204 WeakPolarHBondContact O-CD1 3.26Å; I200-I204 VanDerWaalsContact O-CG1 3.23Å; I200-I204 WeakPolarHBondContact O-CG1 3.39Å; I200-I204 PolarHBondContact O-N 3.1Å
201W47.4Very low52.8Low152 Ų15294.9 Ų94.958%0.57648%0.476SS*.Hα-helixtrans-63.4-43.1176.3-162.384000111.2I197 L198 I204 Y205I197-W201 VanDerWaalsContact O-CB 3.26Å; I197-W201 WeakPolarHBondContact O-CB 3.16Å; I197-W201 PolarHBondContact O-N 2.97Å; L198-W201 PolarHBondContact O-N 3.11Å; W201-I204 PolarHBondContact O-N 2.79Å; W201-Y205 AromaticContact CD1-CD2 3.61Å; W201-Y205 AromaticContact CD1-CE2 3.53Å; W201-Y205 AromaticContact CD2-CD2 3.84Å; W201-Y205 HydrophobicContact CD2-CD2 3.84Å; W201-Y205 HydrophobicContact CD2-CE2 4.46Å; W201-Y205 AromaticContact CE2-CD2 3.61Å; W201-Y205 AromaticContact CE2-CE2 3.93Å; W201-Y205 AromaticContact CG-CD2 3.86Å; W201-Y205 HydrophobicContact CG-CD2 3.86Å; W201-Y205 HydrophobicContact CG-CE2 4.24Å; W201-Y205 HydrophobicContact CZ2-CD2 4.21Å; W201-Y205 HydrophobicContact CZ2-CG 4.45Å; W201-Y205 AromaticContact NE1-CD2 3.44Å; W201-Y205 AromaticContact NE1-CE2 3.3Å; W201-Y205 VanDerWaalsContact NE1-CE2 3.3Å; W201-Y205 WeakPolarHBondContact O-CB 3.11Å; W201-Y205 WeakPolarHBondContact O-CD2 3.47Å; W201-Y205 PolarHBondContact O-N 3.15Å
202Q47.3Very low52.6Low118 Ų11894.4 Ų94.455%0.55148%0.476SS*.Hα-helixtrans-61.9-43.1173-75.7177.7-37.800112.1L198 S199 I204 S206L198-Q202 WeakPolarHBondContact O-CB 3.48Å; L198-Q202 WeakPolarHBondContact O-CG 3.39Å; L198-Q202 PolarHBondContact O-N 3.41Å; S199-Q202 PolarHBondContact O-N 3.16Å; Q202-I204 VanDerWaalsContact C-N 3.33Å; Q202-I204 PolarHBondContact O-N 3.46Å; Q202-S206 WeakPolarHBondContact O-CA 3.38Å; Q202-S206 WeakPolarHBondContact O-CB 3.42Å; Q202-S206 PolarHBondContact O-N 3.14Å; Q202-S206 PolarHBondContact O-OG 2.9Å
203L53.2Low52Low131 Ų13194.5 Ų94.569%0.68648%0.475SS*.Hα-helixtrans-64.2-34177.3-93.7155.3000113.7S199 I200S199-L203 WeakPolarHBondContact O-CB 3.26Å; S199-L203 PolarHBondContact O-N 3.28Å; I200-L203 PolarHBondContact O-N 3.14Å
204I52.6Low51.9Low75 Ų75100.9 Ų100.939%0.38551%0.506SS..Hα-helixtrans-81.5-35.3-179.4-66164.6000111.9I200 W201 Q202I200-I204 HydrophobicContact CG2-CD1 3.51Å; I200-I204 HydrophobicContact CG2-CG1 4.3Å; I200-I204 WeakPolarHBondContact O-CD1 3.26Å; I200-I204 VanDerWaalsContact O-CG1 3.23Å; I200-I204 WeakPolarHBondContact O-CG1 3.39Å; I200-I204 PolarHBondContact O-N 3.1Å; W201-I204 PolarHBondContact O-N 2.79Å; Q202-I204 VanDerWaalsContact C-N 3.33Å; Q202-I204 PolarHBondContact O-N 3.46Å
205Y55.2Low51.8Low154 Ų154103.8 Ų103.860%0.60452%0.52SS*.Hα-helixtrans-110.21-171.1-67.8-79.2000114.8W201W201-Y205 AromaticContact CD1-CD2 3.61Å; W201-Y205 AromaticContact CD1-CE2 3.53Å; W201-Y205 AromaticContact CD2-CD2 3.84Å; W201-Y205 HydrophobicContact CD2-CD2 3.84Å; W201-Y205 HydrophobicContact CD2-CE2 4.46Å; W201-Y205 AromaticContact CE2-CD2 3.61Å; W201-Y205 AromaticContact CE2-CE2 3.93Å; W201-Y205 AromaticContact CG-CD2 3.86Å; W201-Y205 HydrophobicContact CG-CD2 3.86Å; W201-Y205 HydrophobicContact CG-CE2 4.24Å; W201-Y205 HydrophobicContact CZ2-CD2 4.21Å; W201-Y205 HydrophobicContact CZ2-CG 4.45Å; W201-Y205 AromaticContact NE1-CD2 3.44Å; W201-Y205 AromaticContact NE1-CE2 3.3Å; W201-Y205 VanDerWaalsContact NE1-CE2 3.3Å; W201-Y205 WeakPolarHBondContact O-CB 3.11Å; W201-Y205 WeakPolarHBondContact O-CD2 3.47Å; W201-Y205 PolarHBondContact O-N 3.15Å
206S54.6Low51.1Low87 Ų87102 Ų10261%0.60852%0.518SS*.  trans-106.213.2177.2-43.50000114.3Q202Q202-S206 WeakPolarHBondContact O-CA 3.38Å; Q202-S206 WeakPolarHBondContact O-CB 3.42Å; Q202-S206 PolarHBondContact O-N 3.14Å; Q202-S206 PolarHBondContact O-OG 2.9Å
207N40.2Very low50.5Low202 Ų202106.2 Ų106.2100%1.0853%0.534SS*.  trans-120.30163.2-84.2-31.6000108.9

Retrieved 207 of 207 residues in 485.2 ms (Link to these results)

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