A0A5K4F9M8_SCHMA Loading...

Cleavage and polyadenylation specificity factor subunit 4

AlphaFold DB , UniProt , Accession A0A5K4F9M8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 166 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
1M73.5Confident87.4Confident186 Ų186119.8 Ų119.892%0.91666%0.663SS**  0-38.90-71.4-166-144.500110.1N3 L4 I5M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.01Å; M1-L4 WeakPolarHBondContact O-CA 3.38Å; M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.31Å; M1-I5 PolarHBondContact O-N 2.89Å
2D80.1Confident87.7Confident122 Ų122119.8 Ų119.865%0.65266%0.661SS**Hα-helixtrans-56.8-42.1-179-52.1-20.5000113.4L4 I5 A6D2-L4 PolarHBondContact O-N 3.05Å; D2-I5 PolarHBondContact O-N 3.31Å; D2-A6 CarbonylContact O-C 3.58Å; D2-A6 PolarHBondContact O-N 2.81Å
3N85.9Confident88.3Confident132 Ų132117.1 Ų117.171%0.70664%0.638SS**Hα-helixtrans-63.5-12.4174.6-58.66.8000114.5M1 D7M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.01Å; N3-D7 WeakPolarHBondContact O-CB 3.46Å
4L86.5Confident88.8Confident160 Ų160118.1 Ų118.184%0.83864%0.641SS**Hα-helixtrans-95.5-22.8173.8-65.4169.1000112.3M1 D2M1-L4 WeakPolarHBondContact O-CA 3.38Å; M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.31Å; D2-L4 PolarHBondContact O-N 3.05Å
5I89.4Confident89.2Confident141 Ų141117.3 Ų117.372%0.72364%0.635SS**Hα-helixtrans-97.8-38.2-175.5-61170.4000110.5M1 D2M1-I5 PolarHBondContact O-N 2.89Å; D2-I5 PolarHBondContact O-N 3.31Å
6A89.6Confident89.5Confident67 Ų67115.6 Ų115.655%0.55462%0.621SS**SBendtrans-138.760.8-175.200000109.5D2D2-A6 CarbonylContact O-C 3.58Å; D2-A6 PolarHBondContact O-N 2.81Å
7D90.9Very high89.7Confident105 Ų105111.3 Ų111.356%0.56160%0.602SS**  trans-66.5132.2170.1-162-3.5000109.8N3 S9N3-D7 WeakPolarHBondContact O-CB 3.46Å; D7-S9 WeakPolarHBondContact OD1-CB 3.44Å; D7-S9 PolarHBondContact OD1-N 3.05Å; D7-S9 PolarHBondContact OD1-OG 3.34Å; D7-S9 PolarHBondContact OD2-OG 3.21Å
8V91.8Very high90Very high70 Ų70110.1 Ų110.142%0.42459%0.592SS.*  trans-121.112.2-179.5-63.40000111.7D10 I11 F13V8-D10 PolarHBondContact O-N 3.09Å; V8-I11 HydrophobicContact CB-CD1 4.14Å; V8-I11 HydrophobicContact CG1-CD1 4.02Å; V8-I11 PolarHBondContact O-N 3.42Å; V8-I11 VanDerWaalsContact O-N 3.09Å; V8-F13 HydrophobicContact CB-CE2 4.12Å; V8-F13 HydrophobicContact CB-CZ 3.95Å; V8-F13 HydrophobicContact CG1-CZ 4.33Å; V8-F13 HydrophobicContact CG2-CE2 4.11Å; V8-F13 HydrophobicContact CG2-CZ 4.17Å
9S91Very high90.2Very high86 Ų86111 Ų11160%0.60160%0.596SS**THydrogen-bonded Turntrans-59.5-28-179.963.90000114.2D7 I11D7-S9 WeakPolarHBondContact OD1-CB 3.44Å; D7-S9 PolarHBondContact OD1-N 3.05Å; D7-S9 PolarHBondContact OD1-OG 3.34Å; D7-S9 PolarHBondContact OD2-OG 3.21Å; S9-I11 VanDerWaalsContact C-N 3.33Å
10D90.4Very high90.3Very high159 Ų159110.1 Ų110.185%0.8559%0.588SS**THydrogen-bonded Turntrans-88.40.1-179.3-65.3-20.4000113.1V8V8-D10 PolarHBondContact O-N 3.09Å
11I92.4Very high90.4Very high90 Ų90109 Ų10946%0.46258%0.582SS.*  trans-102.4113.1-178.5-55.9177.6000108.6V8 S9 F13V8-I11 HydrophobicContact CB-CD1 4.14Å; V8-I11 HydrophobicContact CG1-CD1 4.02Å; V8-I11 PolarHBondContact O-N 3.42Å; V8-I11 VanDerWaalsContact O-N 3.09Å; S9-I11 VanDerWaalsContact C-N 3.33Å; I11-F13 HydrophobicContact CB-CE2 4.28Å; I11-F13 HydrophobicContact CB-CZ 4.3Å; I11-F13 HydrophobicContact CG2-CD1 4.3Å; I11-F13 HydrophobicContact CG2-CD2 4.49Å; I11-F13 HydrophobicContact CG2-CE1 4.07Å; I11-F13 HydrophobicContact CG2-CE2 4.28Å; I11-F13 HydrophobicContact CG2-CZ 4.06Å; I11-F13 WeakPolarHBondContact O-CD2 3.45Å; I11-F13 PolarHBondContact O-N 2.86Å
12D91.3Very high91.3Very high120 Ų120101.4 Ų101.464%0.64254%0.544SS*.  trans-78.3109.2168.3-17714.4000109.1
13F95.3Very high91.9Very high84 Ų84100.7 Ų100.737%0.36854%0.539SS..  trans-78.7140178.7-65.8-85.1000110.3V8 I11 I15 E16 S17V8-F13 HydrophobicContact CB-CE2 4.12Å; V8-F13 HydrophobicContact CB-CZ 3.95Å; V8-F13 HydrophobicContact CG1-CZ 4.33Å; V8-F13 HydrophobicContact CG2-CE2 4.11Å; V8-F13 HydrophobicContact CG2-CZ 4.17Å; I11-F13 HydrophobicContact CB-CE2 4.28Å; I11-F13 HydrophobicContact CB-CZ 4.3Å; I11-F13 HydrophobicContact CG2-CD1 4.3Å; I11-F13 HydrophobicContact CG2-CD2 4.49Å; I11-F13 HydrophobicContact CG2-CE1 4.07Å; I11-F13 HydrophobicContact CG2-CE2 4.28Å; I11-F13 HydrophobicContact CG2-CZ 4.06Å; I11-F13 WeakPolarHBondContact O-CD2 3.45Å; I11-F13 PolarHBondContact O-N 2.86Å; F13-I15 HydrophobicContact CB-CG2 3.92Å; F13-I15 PolarHBondContact O-N 3.42Å; F13-E16 HydrophobicContact CB-CG 4.12Å; F13-E16 PolarHBondContact N-OE2 3.34Å; F13-E16 WeakPolarHBondContact O-CB 3.22Å; F13-E16 PolarHBondContact O-N 3.2Å; F13-S17 PolarHBondContact O-N 3.25Å
14I95.7Very high92.2Very high132 Ų13298.3 Ų98.368%0.67755%0.546SS*.Hα-helixtrans-51.7-36.7176.5-62.7170.2000111.6Q18I14-Q18 HydrophobicContact CG2-CG 4.24Å; I14-Q18 WeakPolarHBondContact O-CB 3.23Å; I14-Q18 VanDerWaalsContact O-CG 3.22Å; I14-Q18 WeakPolarHBondContact O-CG 3.28Å; I14-Q18 PolarHBondContact O-N 2.9Å
15I95Very high92.4Very high106 Ų10693.6 Ų93.654%0.54452%0.521SS..Hα-helixtrans-66-35.3178.4-167.6168000112.7F13 Q18 L19F13-I15 HydrophobicContact CB-CG2 3.92Å; F13-I15 PolarHBondContact O-N 3.42Å; I15-Q18 PolarHBondContact O-N 3.02Å; I15-L19 HydrophobicContact CG1-CD1 4.06Å; I15-L19 HydrophobicContact CG1-CG 4.28Å; I15-L19 WeakPolarHBondContact O-CB 3.22Å; I15-L19 VanDerWaalsContact O-CG 3.22Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 2.93Å
16E93.9Very high92.5Very high90 Ų9089.2 Ų89.242%0.42151%0.511SS..Hα-helixtrans-64.8-55.5176.9-66.917415600108.6F13 Q18 L19 E20F13-E16 HydrophobicContact CB-CG 4.12Å; F13-E16 PolarHBondContact N-OE2 3.34Å; F13-E16 WeakPolarHBondContact O-CB 3.22Å; F13-E16 PolarHBondContact O-N 3.2Å; E16-Q18 VanDerWaalsContact C-N 3.25Å; E16-Q18 PolarHBondContact O-N 3.34Å; E16-L19 PolarHBondContact O-N 2.9Å; E16-E20 VanDerWaalsContact O-CG 3.27Å; E16-E20 WeakPolarHBondContact O-CG 3.38Å; E16-E20 PolarHBondContact O-N 3.06Å
17S93.1Very high92.6Very high42 Ų4290 Ų9029%0.29451%0.511SS..Hα-helixtrans-52.2-41.8174.7-173.10000113F13 N21F13-S17 PolarHBondContact O-N 3.25Å; S17-N21 VanDerWaalsContact O-CB 3.28Å; S17-N21 WeakPolarHBondContact O-CB 3.38Å; S17-N21 PolarHBondContact O-N 2.87Å; S17-N21 PolarHBondContact O-ND2 3.13Å; S17-N21 PolarHBondContact OG-ND2 3.47Å
18Q94.7Very high92.7Very high89 Ų8986.1 Ų86.142%0.41649%0.49SS..Hα-helixtrans-67.2-41.5177-75.5175.6-17.400113.3I14 I15 E16 Q22 I23I14-Q18 HydrophobicContact CG2-CG 4.24Å; I14-Q18 WeakPolarHBondContact O-CB 3.23Å; I14-Q18 VanDerWaalsContact O-CG 3.22Å; I14-Q18 WeakPolarHBondContact O-CG 3.28Å; I14-Q18 PolarHBondContact O-N 2.9Å; I15-Q18 PolarHBondContact O-N 3.02Å; E16-Q18 VanDerWaalsContact C-N 3.25Å; E16-Q18 PolarHBondContact O-N 3.34Å; Q18-Q22 CarbonylContact O-C 3.34Å; Q18-Q22 WeakPolarHBondContact O-CA 3.27Å; Q18-Q22 PolarHBondContact O-N 3.24Å; Q18-I23 HydrophobicContact CB-CB 4.33Å; Q18-I23 HydrophobicContact CG-CB 4.23Å; Q18-I23 HydrophobicContact CG-CD1 4.22Å; Q18-I23 PolarHBondContact O-N 3.18Å
19L93Very high92.8Very high128 Ų12887.2 Ų87.267%0.6750%0.499SS*.Hα-helixtrans-69.2-42177.9-73.5172.6000111.7I15 E16 Q22I15-L19 HydrophobicContact CG1-CD1 4.06Å; I15-L19 HydrophobicContact CG1-CG 4.28Å; I15-L19 WeakPolarHBondContact O-CB 3.22Å; I15-L19 VanDerWaalsContact O-CG 3.22Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 2.93Å; E16-L19 PolarHBondContact O-N 2.9Å; L19-Q22 PolarHBondContact O-N 3.04Å
20E92Very high92.7Very high93 Ų9390.3 Ų90.344%0.43550%0.502SS..Hα-helixtrans-65.6-43179.7-64.4-153.2135.100112.1E16 Q22 R42E16-E20 VanDerWaalsContact O-CG 3.27Å; E16-E20 WeakPolarHBondContact O-CG 3.38Å; E16-E20 PolarHBondContact O-N 3.06Å; E20-Q22 VanDerWaalsContact C-N 3.31Å; E20-R42 VanDerWaalsContact CG-NH1 3.28Å; E20-R42 IonicContact OE1-CZ 3.74Å; E20-R42 IonicContact OE1-NH1 3.07Å; E20-R42 PolarHBondContact OE1-NH1 3.38Å; E20-R42 IonicContact OE1-NH2 3.38Å; E20-R42 PolarHBondContact OE1-NH2 3.22Å; E20-R42 VanDerWaalsContact OE1-NH2 3.07Å; E20-R42 IonicContact OE2-NH1 3.44Å
21N92.6Very high92.5Very high87 Ų8785.7 Ų85.747%0.46548%0.482SS..THydrogen-bonded Turntrans-86.71.1178.2-64.7-58.6000113.5S17 I23S17-N21 VanDerWaalsContact O-CB 3.28Å; S17-N21 WeakPolarHBondContact O-CB 3.38Å; S17-N21 PolarHBondContact O-N 2.87Å; S17-N21 PolarHBondContact O-ND2 3.13Å; S17-N21 PolarHBondContact OG-ND2 3.47Å; N21-I23 HydrophobicContact CB-CD1 4.11Å; N21-I23 HydrophobicContact CB-CG1 3.85Å; N21-I23 PolarHBondContact O-N 2.88Å
22Q93.2Very high92.1Very high27 Ų2788.6 Ų88.613%0.12650%0.499CS..THydrogen-bonded Turntrans51.439.7-178.9-51.8173.62400113.2Q18 L19 E20 L25 C41 F43 L57Q18-Q22 CarbonylContact O-C 3.34Å; Q18-Q22 WeakPolarHBondContact O-CA 3.27Å; Q18-Q22 PolarHBondContact O-N 3.24Å; L19-Q22 PolarHBondContact O-N 3.04Å; E20-Q22 VanDerWaalsContact C-N 3.31Å; Q22-L25 HydrophobicContact CB-CB 4.25Å; Q22-L25 HydrophobicContact CB-CD2 4.06Å; Q22-L25 VanDerWaalsContact O-CB 3.23Å; Q22-L25 WeakPolarHBondContact O-CB 3.26Å; Q22-L25 PolarHBondContact O-N 3.49Å; Q22-C41 PolarHBondContact OE1-SG 2.96Å; Q22-F43 HydrophobicContact CB-CD2 4.45Å; Q22-F43 HydrophobicContact CB-CE2 3.92Å; Q22-F43 HydrophobicContact CG-CD2 4.15Å; Q22-F43 HydrophobicContact CG-CE2 3.86Å; Q22-L57 VanDerWaalsContact CD-CD1 3.41Å; Q22-L57 HydrophobicContact CG-CD1 3.88Å
23I92.9Very high91.9Very high107 Ų10787 Ų8755%0.54949%0.488SS..THydrogen-bonded Turntrans-68.2133.7-179-60.6177000109.4Q18 N21 L25Q18-I23 HydrophobicContact CB-CB 4.33Å; Q18-I23 HydrophobicContact CG-CB 4.23Å; Q18-I23 HydrophobicContact CG-CD1 4.22Å; Q18-I23 PolarHBondContact O-N 3.18Å; N21-I23 HydrophobicContact CB-CD1 4.11Å; N21-I23 HydrophobicContact CB-CG1 3.85Å; N21-I23 PolarHBondContact O-N 2.88Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.03Å
24G91Very high91.3Very high82 Ų8287.1 Ų87.185%0.84549%0.492SS*.THydrogen-bonded Turntrans80.73.9-179.200000114.6G26G24-G26 PolarHBondContact O-N 2.86Å; G24-G26 VanDerWaalsContact O-N 3.13Å
25L91.3Very high90.9Very high61 Ų6181.9 Ų81.932%0.31947%0.465SS..  trans-72104.1177.1-162.972.4000110.9Q22 I23 L51 P56 L57Q22-L25 HydrophobicContact CB-CB 4.25Å; Q22-L25 HydrophobicContact CB-CD2 4.06Å; Q22-L25 VanDerWaalsContact O-CB 3.23Å; Q22-L25 WeakPolarHBondContact O-CB 3.26Å; Q22-L25 PolarHBondContact O-N 3.49Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.03Å; L25-L51 HydrophobicContact CD2-CD1 4.42Å; L25-P56 HydrophobicContact CD1-CB 4.46Å; L25-P56 HydrophobicContact CD1-CG 3.4Å; L25-P56 HydrophobicContact CD2-CG 3.71Å; L25-P56 HydrophobicContact CG-CG 3.37Å; L25-L57 HydrophobicContact CD1-CG 4.29Å; L25-L57 HydrophobicContact CD2-CD1 3.76Å; L25-L57 HydrophobicContact CD2-CG 3.8Å
26G90.8Very high90.4Very high49 Ų4978.4 Ų78.451%0.50545%0.45SS..PPolyproline II helixtrans-76.1158.517300000112.9G24 P56G24-G26 PolarHBondContact O-N 2.86Å; G24-G26 VanDerWaalsContact O-N 3.13Å; G26-P56 WeakPolarHBondContact O-CD 3.48Å; G26-P56 VanDerWaalsContact O-CG 3.27Å; G26-P56 WeakPolarHBondContact O-CG 3.29Å
27C93.3Very high90Very high82 Ų8278.2 Ų78.255%0.55447%0.472SS*.PPolyproline II helixtrans-69.8152.617260.60000111.5L51 L54C27-L51 HydrophobicContact CB-CD2 4.13Å; C27-L54 HydrophobicContact CB-CB 4.16Å
28L92.5Very high89.8Confident24 Ų2477.9 Ų77.913%0.12647%0.472CS..PPolyproline II helixtrans-67.2143.5169.7-69.8171.6000110.5F30 M33 K35 L54 P56L28-F30 PolarHBondContact O-N 3.32Å; L28-M33 HydrophobicContact CB-SD 4.4Å; L28-M33 HydrophobicContact CD1-CB 4.12Å; L28-M33 HydrophobicContact CD2-SD 3.99Å; L28-K35 HydrophobicContact CD1-CD 3.81Å; L28-K35 HydrophobicContact CD1-CG 4.12Å; L28-L54 PolarHBondContact N-O 3.46Å; L28-P56 HydrophobicContact CD2-CB 3.78Å; L28-P56 HydrophobicContact CG-CB 3.88Å
29P92.7Very high89.6Confident94 Ų9475.8 Ų75.861%0.6148%0.475SS*.SBendtrans-67.6-24.8176.127.2-34.5000112.8M33P29-M33 HydrophobicContact CG-SD 3.79Å
30F90.8Very high89.6Confident151 Ų15172.9 Ų72.966%0.66246%0.462SS*.SBendtrans-136.7140.6179.9-49.3-73.1000110.9L28 N32 M33L28-F30 PolarHBondContact O-N 3.32Å; F30-N32 VanDerWaalsContact C-N 3.3Å; F30-N32 PolarHBondContact O-N 3.07Å; F30-M33 HydrophobicContact CB-CG 4.17Å; F30-M33 HydrophobicContact CD2-SD 4.27Å
31S86Confident89.7Confident62 Ų6268.5 Ų68.543%0.43444%0.441SS..THydrogen-bonded Turntrans-65.7-27.7-175.2600000114.7
32N83.4Confident89.7Confident151 Ų15170.5 Ų70.581%0.80744%0.442SS*.THydrogen-bonded Turntrans-101.622.4-169.8-61.8-8.5000112.7F30F30-N32 VanDerWaalsContact C-N 3.3Å; F30-N32 PolarHBondContact O-N 3.07Å
33M86.1Confident89.8Confident87 Ų8772 Ų7243%0.42945%0.449SS..  trans-70.9138.1176.8-70-175.971.400110.8L28 P29 F30 K35L28-M33 HydrophobicContact CB-SD 4.4Å; L28-M33 HydrophobicContact CD1-CB 4.12Å; L28-M33 HydrophobicContact CD2-SD 3.99Å; P29-M33 HydrophobicContact CG-SD 3.79Å; F30-M33 HydrophobicContact CB-CG 4.17Å; F30-M33 HydrophobicContact CD2-SD 4.27Å; M33-K35 PolarHBondContact O-N 2.9Å
34N82.8Confident89.9Confident85 Ų8569.3 Ų69.346%0.45543%0.433SS..  trans-73.3121.8175.6-176.64.5000110.2S36 C76N34-S36 PolarHBondContact ND2-OG 2.74Å; N34-S36 VanDerWaalsContact OD1-CB 3.32Å; N34-S36 WeakPolarHBondContact OD1-CB 3.47Å; N34-S36 PolarHBondContact OD1-N 3.4Å; N34-S36 PolarHBondContact OD1-OG 3.37Å; N34-C76 PolarHBondContact ND2-O 3.44Å
35K88.9Confident89.9Confident23 Ų2370.9 Ų70.910%0.142%0.421CS..  trans-101.517.2-178.5-58.6178.5-67.5171.40113.1L28 M33 G37 A38 C55 L57 R58 D80L28-K35 HydrophobicContact CD1-CD 3.81Å; L28-K35 HydrophobicContact CD1-CG 4.12Å; M33-K35 PolarHBondContact O-N 2.9Å; K35-G37 PolarHBondContact O-N 3.3Å; K35-A38 HydrophobicContact CB-CB 4.29Å; K35-A38 WeakPolarHBondContact O-CB 3.27Å; K35-A38 PolarHBondContact O-N 3.41Å; K35-C55 WeakPolarHBondContact CD-O 3.32Å; K35-C55 PolarHBondContact NZ-O 3.25Å; K35-C55 VanDerWaalsContact NZ-O 3.1Å; K35-L57 WeakPolarHBondContact CD-O 3.13Å; K35-L57 WeakPolarHBondContact CE-O 3.08Å; K35-L57 PolarHBondContact NZ-O 3.4Å; K35-R58 HydrophobicContact CB-CG 3.93Å; K35-R58 WeakPolarHBondContact O-CD 3.35Å; K35-R58 WeakPolarHBondContact O-CG 3.35Å; K35-D80 WeakPolarHBondContact CE-OD2 3.4Å; K35-D80 IonicContact NZ-OD2 3.22Å; K35-D80 PolarHBondContact NZ-OD2 2.84Å
36S84.4Confident90Very high32 Ų3271.6 Ų71.622%0.22443%0.428CS..THydrogen-bonded Turntrans-55-28.9-169.8-70.10000115.3N34N34-S36 PolarHBondContact ND2-OG 2.74Å; N34-S36 VanDerWaalsContact OD1-CB 3.32Å; N34-S36 WeakPolarHBondContact OD1-CB 3.47Å; N34-S36 PolarHBondContact OD1-N 3.4Å; N34-S36 PolarHBondContact OD1-OG 3.37Å
37G83.6Confident90Very high86 Ų8676.2 Ų76.289%0.88744%0.441SS*.THydrogen-bonded Turntrans-97.3-1.2176.900000115.1K35K35-G37 PolarHBondContact O-N 3.3Å
38A90.8Very high90.1Very high35 Ų3579 Ų7929%0.28945%0.446SS..SBendtrans-81.4154.2178.200000111.2K35 P56 L57 R58K35-A38 HydrophobicContact CB-CB 4.29Å; K35-A38 WeakPolarHBondContact O-CB 3.27Å; K35-A38 PolarHBondContact O-N 3.41Å; A38-P56 VanDerWaalsContact CB-O 3.26Å; A38-P56 WeakPolarHBondContact CB-O 2.89Å; A38-L57 HydrophobicContact CB-CD2 4.43Å; A38-R58 HydrophobicContact CB-CG 4.2Å; A38-R58 WeakPolarHBondContact O-CD 3.44Å; A38-R58 WeakPolarHBondContact O-CG 3.46Å
39G90.6Very high90.2Very high46 Ų4679 Ų7947%0.47445%0.448SS..PPolyproline II helixtrans-63.6167.7171.600000112.6L57 R58G39-L57 WeakPolarHBondContact O-CB 3.39Å; G39-R58 PolarHBondContact O-N 3.18Å
40V92.2Very high90.2Very high67 Ų6780 Ų8041%0.40645%0.454SS..BIsolated β-bridgetrans-79.5133.9177.4-170.50000110.1R42 I45 I60V40-R42 PolarHBondContact O-N 3.35Å; V40-I45 HydrophobicContact CG1-CD1 3.89Å; V40-I45 HydrophobicContact CG1-CG1 4.44Å; V40-I60 HydrophobicContact CB-CD1 4.28Å; V40-I60 HydrophobicContact CG1-CD1 3.87Å; V40-I60 HydrophobicContact CG1-CG1 4.15Å; V40-I60 HydrophobicContact CG2-CD1 3.45Å; V40-I60 VanDerWaalsContact CG2-CD1 3.45Å; V40-I60 HydrophobicContact CG2-CG1 4.48Å
41C94.4Very high90.2Very high0 Ų075.1 Ų75.10%044%0.435CS..  trans-73.6109.1175.6-173.40000110.3Q22 F43 F44 I45 L57 R58Q22-C41 PolarHBondContact OE1-SG 2.96Å; C41-F43 VanDerWaalsContact C-N 3.33Å; C41-F43 PolarHBondContact O-N 2.85Å; C41-F44 HydrophobicContact CB-CB 3.77Å; C41-F44 WeakPolarHBondContact O-CB 3.42Å; C41-F44 PolarHBondContact O-N 2.62Å; C41-F44 PolarHBondContact SG-N 2.9Å; C41-F44 VanDerWaalsContact SG-N 3.42Å; C41-I45 PolarHBondContact O-N 2.98Å; C41-L57 HydrophobicContact CB-CB 3.7Å; C41-L57 HydrophobicContact CB-CD1 4.32Å; C41-R58 PolarHBondContact N-O 3.15Å
42R93.2Very high90.4Very high129 Ų12977.2 Ų77.249%0.48744%0.441SS..Hα-helixtrans-60.2-41.4175.5-66.1-175.7176.7-168.94.3112.2E20 V40 F44 I45 T46E20-R42 VanDerWaalsContact CG-NH1 3.28Å; E20-R42 IonicContact OE1-CZ 3.74Å; E20-R42 IonicContact OE1-NH1 3.07Å; E20-R42 PolarHBondContact OE1-NH1 3.38Å; E20-R42 IonicContact OE1-NH2 3.38Å; E20-R42 PolarHBondContact OE1-NH2 3.22Å; E20-R42 VanDerWaalsContact OE1-NH2 3.07Å; E20-R42 IonicContact OE2-NH1 3.44Å; V40-R42 PolarHBondContact O-N 3.35Å; R42-F44 VanDerWaalsContact C-N 3.27Å; R42-F44 PolarHBondContact O-N 3.39Å; R42-I45 WeakPolarHBondContact O-CB 3.01Å; R42-I45 PolarHBondContact O-N 3.21Å; R42-I45 VanDerWaalsContact O-N 3.17Å; R42-T46 PolarHBondContact O-N 2.9Å
43F94.5Very high90.7Very high59 Ų5974.6 Ų74.626%0.25943%0.427SS..Hα-helixtrans-65.3-26.3176.8-59.7-50.8000113.8Q22 C41 T46 N47 Q48 C49Q22-F43 HydrophobicContact CB-CD2 4.45Å; Q22-F43 HydrophobicContact CB-CE2 3.92Å; Q22-F43 HydrophobicContact CG-CD2 4.15Å; Q22-F43 HydrophobicContact CG-CE2 3.86Å; C41-F43 VanDerWaalsContact C-N 3.33Å; C41-F43 PolarHBondContact O-N 2.85Å; F43-T46 WeakPolarHBondContact CA-OG1 3.47Å; F43-T46 PolarHBondContact O-OG1 3.36Å; F43-N47 PolarHBondContact O-N 3.1Å; F43-Q48 CarbonylContact O-C 3.39Å; F43-Q48 PolarHBondContact O-N 2.9Å; F43-C49 HydrophobicContact CB-CB 4.1Å; F43-C49 PolarHBondContact O-N 3.11Å; F43-C49 VanDerWaalsContact O-N 3.1Å
44F94Very high91Very high51 Ų5174 Ų7422%0.22443%0.425CS..Hα-helixtrans-70.4-40.3173.7179.1-101.8000111.3C41 R42 T46 N47 C49 H59C41-F44 HydrophobicContact CB-CB 3.77Å; C41-F44 WeakPolarHBondContact O-CB 3.42Å; C41-F44 PolarHBondContact O-N 2.62Å; C41-F44 PolarHBondContact SG-N 2.9Å; C41-F44 VanDerWaalsContact SG-N 3.42Å; R42-F44 VanDerWaalsContact C-N 3.27Å; R42-F44 PolarHBondContact O-N 3.39Å; F44-T46 PolarHBondContact O-N 3.35Å; F44-N47 PolarHBondContact O-N 2.85Å; F44-C49 HydrophobicContact CB-CB 4.22Å; F44-H59 WeakPolarHBondContact CB-CD2 3.3Å; F44-H59 HydrophobicContact CD1-CB 3.64Å; F44-H59 AromaticContact CD1-CG 3.89Å; F44-H59 HydrophobicContact CD2-CB 3.82Å; F44-H59 AromaticContact CD2-CD2 3.71Å; F44-H59 AromaticContact CD2-CE1 3.57Å; F44-H59 AromaticContact CD2-CG 3.34Å; F44-H59 AromaticContact CD2-ND1 3.26Å; F44-H59 VanDerWaalsContact CD2-ND1 3.26Å; F44-H59 WeakPolarHBondContact CD2-ND1 3.4Å; F44-H59 AromaticContact CD2-NE2 3.85Å; F44-H59 HydrophobicContact CE1-CB 3.65Å; F44-H59 HydrophobicContact CE2-CB 3.82Å; F44-H59 AromaticContact CE2-CG 3.76Å; F44-H59 AromaticContact CE2-ND1 3.6Å; F44-H59 HydrophobicContact CG-CB 3.72Å; F44-H59 AromaticContact CG-CD2 3.45Å; F44-H59 VanDerWaalsContact CG-CD2 3.45Å; F44-H59 WeakPolarHBondContact CG-CD2 3.43Å; F44-H59 AromaticContact CG-CG 3.4Å; F44-H59 VanDerWaalsContact CG-CG 3.4Å; F44-H59 AromaticContact CG-ND1 3.83Å; F44-H59 AromaticContact CG-NE2 3.9Å; F44-H59 HydrophobicContact CZ-CB 3.74Å
45I91.6Very high91.5Very high114 Ų11469.9 Ų69.959%0.58540%0.403SS*.Hα-helixtrans-60.1-36.8176.5-59.7170.6000110.7V40 C41 R42 N47V40-I45 HydrophobicContact CG1-CD1 3.89Å; V40-I45 HydrophobicContact CG1-CG1 4.44Å; C41-I45 PolarHBondContact O-N 2.98Å; R42-I45 WeakPolarHBondContact O-CB 3.01Å; R42-I45 PolarHBondContact O-N 3.21Å; R42-I45 VanDerWaalsContact O-N 3.17Å; I45-N47 VanDerWaalsContact C-N 3.33Å
46T93.2Very high91.7Very high77 Ų7770 Ų7047%0.47241%0.407SS..THydrogen-bonded Turntrans-875.4176.161.80000114.2R42 F43 F44 Q48R42-T46 PolarHBondContact O-N 2.9Å; F43-T46 WeakPolarHBondContact CA-OG1 3.47Å; F43-T46 PolarHBondContact O-OG1 3.36Å; F44-T46 PolarHBondContact O-N 3.35Å; T46-Q48 VanDerWaalsContact C-N 3.27Å; T46-Q48 PolarHBondContact O-N 3.43Å
47N92Very high92.2Very high146 Ų14670 Ų7078%0.78140%0.404SS*.THydrogen-bonded Turntrans58.329.2-176.2-58.8-64.4000115.3F43 F44 I45F43-N47 PolarHBondContact O-N 3.1Å; F44-N47 PolarHBondContact O-N 2.85Å; I45-N47 VanDerWaalsContact C-N 3.33Å
48Q94.2Very high92.6Very high140 Ų14066.9 Ų66.965%0.65437%0.365SS*.  trans-115.97.3-178.1-68.7172-5.400113.6F43 T46 P50F43-Q48 CarbonylContact O-C 3.39Å; F43-Q48 PolarHBondContact O-N 2.9Å; T46-Q48 VanDerWaalsContact C-N 3.27Å; T46-Q48 PolarHBondContact O-N 3.43Å; Q48-P50 VanDerWaalsContact O-CD 3.29Å; Q48-P50 WeakPolarHBondContact O-CD 3.45Å
49C93.8Very high92.7Very high24 Ų2465.9 Ų65.916%0.16235%0.354CS..  trans-67118.8-178.8-1770000111.4F43 F44 L51 H59F43-C49 HydrophobicContact CB-CB 4.1Å; F43-C49 PolarHBondContact O-N 3.11Å; F43-C49 VanDerWaalsContact O-N 3.1Å; F44-C49 HydrophobicContact CB-CB 4.22Å; C49-L51 PolarHBondContact O-N 2.89Å; C49-H59 PolarHBondContact SG-NE2 3.3Å
50P92.9Very high92.6Very high115 Ų11565.8 Ų65.875%0.74734%0.343SS*.THydrogen-bonded Turntrans-77.9-19.8-178.830.8-34.3000113.3Q48Q48-P50 VanDerWaalsContact O-CD 3.29Å; Q48-P50 WeakPolarHBondContact O-CD 3.45Å
51L92.5Very high92.3Very high49 Ų4967.8 Ų67.826%0.25735%0.346SS..THydrogen-bonded Turntrans-87.8-13-171.5-62.6178.8000114.1L25 C27 C49 N53 L54 C55L25-L51 HydrophobicContact CD2-CD1 4.42Å; C27-L51 HydrophobicContact CB-CD2 4.13Å; C49-L51 PolarHBondContact O-N 2.89Å; L51-N53 PolarHBondContact O-N 3.2Å; L51-L54 WeakPolarHBondContact O-CA 3.33Å; L51-L54 WeakPolarHBondContact O-CB 3.18Å; L51-L54 PolarHBondContact O-N 3.42Å; L51-C55 HydrophobicContact CB-CB 3.75Å; L51-C55 PolarHBondContact O-N 3.47Å
52N89.4Confident91.7Very high105 Ų10573 Ų7356%0.56139%0.389SS*.G310 helixtrans46.1-127.5-178.9-160.9-3.8000111.8L54 C55 H59N52-L54 PolarHBondContact O-N 3.5Å; N52-C55 WeakPolarHBondContact O-CB 3.3Å; N52-C55 PolarHBondContact O-N 3.44Å; N52-C55 VanDerWaalsContact O-N 3.11Å; N52-H59 PolarHBondContact O-CE1 3.46Å
53N88.9Confident91.3Very high97 Ų9772.8 Ų72.852%0.51940%0.398SS..G310 helixtrans-67.4-15179.5-67.9-16.2000114.7L51 C55L51-N53 PolarHBondContact O-N 3.2Å; N53-C55 VanDerWaalsContact C-N 3.3Å
54L92.8Very high91Very high73 Ų7370.9 Ų70.938%0.38239%0.389SS..G310 helixtrans-88.51.3175.3-59.3173.4000112.5C27 L28 L51 N52 P56C27-L54 HydrophobicContact CB-CB 4.16Å; L28-L54 PolarHBondContact N-O 3.46Å; L51-L54 WeakPolarHBondContact O-CA 3.33Å; L51-L54 WeakPolarHBondContact O-CB 3.18Å; L51-L54 PolarHBondContact O-N 3.42Å; N52-L54 PolarHBondContact O-N 3.5Å; L54-P56 WeakPolarHBondContact O-CD 3.41Å
55C93.9Very high91Very high0 Ų073.5 Ų73.50%041%0.409CS..  trans-64.2123.9174.4-173.50000109.9K35 L51 N52 N53 L57 H59K35-C55 WeakPolarHBondContact CD-O 3.32Å; K35-C55 PolarHBondContact NZ-O 3.25Å; K35-C55 VanDerWaalsContact NZ-O 3.1Å; L51-C55 HydrophobicContact CB-CB 3.75Å; L51-C55 PolarHBondContact O-N 3.47Å; N52-C55 WeakPolarHBondContact O-CB 3.3Å; N52-C55 PolarHBondContact O-N 3.44Å; N52-C55 VanDerWaalsContact O-N 3.11Å; N53-C55 VanDerWaalsContact C-N 3.3Å; C55-L57 PolarHBondContact O-N 3.32Å; C55-H59 VanDerWaalsContact CB-NE2 3.29Å; C55-H59 WeakPolarHBondContact CB-NE2 3.19Å; C55-H59 PolarHBondContact SG-NE2 3.17Å; C55-H59 VanDerWaalsContact SG-NE2 3.36Å
56P93.3Very high91.1Very high26 Ų2670.5 Ų70.517%0.16940%0.396CS..SBendtrans-71.3-15.6177.331.5-39.2000113.5L25 G26 L28 A38 L54L25-P56 HydrophobicContact CD1-CB 4.46Å; L25-P56 HydrophobicContact CD1-CG 3.4Å; L25-P56 HydrophobicContact CD2-CG 3.71Å; L25-P56 HydrophobicContact CG-CG 3.37Å; G26-P56 WeakPolarHBondContact O-CD 3.48Å; G26-P56 VanDerWaalsContact O-CG 3.27Å; G26-P56 WeakPolarHBondContact O-CG 3.29Å; L28-P56 HydrophobicContact CD2-CB 3.78Å; L28-P56 HydrophobicContact CG-CB 3.88Å; A38-P56 VanDerWaalsContact CB-O 3.26Å; A38-P56 WeakPolarHBondContact CB-O 2.89Å; L54-P56 WeakPolarHBondContact O-CD 3.41Å
57L94.4Very high91.3Very high31 Ų3166.9 Ų66.916%0.16237%0.374CS..SBendtrans-87.5162.4173.8-63.1179.9000111.8Q22 L25 K35 A38 G39 C41 C55Q22-L57 VanDerWaalsContact CD-CD1 3.41Å; Q22-L57 HydrophobicContact CG-CD1 3.88Å; L25-L57 HydrophobicContact CD1-CG 4.29Å; L25-L57 HydrophobicContact CD2-CD1 3.76Å; L25-L57 HydrophobicContact CD2-CG 3.8Å; K35-L57 WeakPolarHBondContact CD-O 3.13Å; K35-L57 WeakPolarHBondContact CE-O 3.08Å; K35-L57 PolarHBondContact NZ-O 3.4Å; A38-L57 HydrophobicContact CB-CD2 4.43Å; G39-L57 WeakPolarHBondContact O-CB 3.39Å; C41-L57 HydrophobicContact CB-CB 3.7Å; C41-L57 HydrophobicContact CB-CD1 4.32Å; C55-L57 PolarHBondContact O-N 3.32Å
58R92.7Very high91.4Very high21 Ų2160 Ų608%0.07934%0.337CS..BIsolated β-bridgetrans-79.1132.8-175.4-62.3-172.466.4-158.8-16.5112.5K35 A38 G39 C41 I60 D80 H86K35-R58 HydrophobicContact CB-CG 3.93Å; K35-R58 WeakPolarHBondContact O-CD 3.35Å; K35-R58 WeakPolarHBondContact O-CG 3.35Å; A38-R58 HydrophobicContact CB-CG 4.2Å; A38-R58 WeakPolarHBondContact O-CD 3.44Å; A38-R58 WeakPolarHBondContact O-CG 3.46Å; G39-R58 PolarHBondContact O-N 3.18Å; C41-R58 PolarHBondContact N-O 3.15Å; R58-I60 HydrophobicContact CB-CG1 4.21Å; R58-D80 VanDerWaalsContact CA-OD2 3.3Å; R58-D80 WeakPolarHBondContact CA-OD2 3.29Å; R58-D80 IonicContact NE-OD1 2.74Å; R58-D80 PolarHBondContact NE-OD1 3.44Å; R58-D80 IonicContact NH2-OD1 2.9Å; R58-H86 VanDerWaalsContact NH2-CB 3.29Å
59H92.3Very high91.5Very high13 Ų1359 Ų596%0.0633%0.331CS..  trans-10294.6174.3-72.6-173.4000109F44 C49 N52 C55 D80F44-H59 WeakPolarHBondContact CB-CD2 3.3Å; F44-H59 HydrophobicContact CD1-CB 3.64Å; F44-H59 AromaticContact CD1-CG 3.89Å; F44-H59 HydrophobicContact CD2-CB 3.82Å; F44-H59 AromaticContact CD2-CD2 3.71Å; F44-H59 AromaticContact CD2-CE1 3.57Å; F44-H59 AromaticContact CD2-CG 3.34Å; F44-H59 AromaticContact CD2-ND1 3.26Å; F44-H59 VanDerWaalsContact CD2-ND1 3.26Å; F44-H59 WeakPolarHBondContact CD2-ND1 3.4Å; F44-H59 AromaticContact CD2-NE2 3.85Å; F44-H59 HydrophobicContact CE1-CB 3.65Å; F44-H59 HydrophobicContact CE2-CB 3.82Å; F44-H59 AromaticContact CE2-CG 3.76Å; F44-H59 AromaticContact CE2-ND1 3.6Å; F44-H59 HydrophobicContact CG-CB 3.72Å; F44-H59 AromaticContact CG-CD2 3.45Å; F44-H59 VanDerWaalsContact CG-CD2 3.45Å; F44-H59 WeakPolarHBondContact CG-CD2 3.43Å; F44-H59 AromaticContact CG-CG 3.4Å; F44-H59 VanDerWaalsContact CG-CG 3.4Å; F44-H59 AromaticContact CG-ND1 3.83Å; F44-H59 AromaticContact CG-NE2 3.9Å; F44-H59 HydrophobicContact CZ-CB 3.74Å; C49-H59 PolarHBondContact SG-NE2 3.3Å; N52-H59 PolarHBondContact O-CE1 3.46Å; C55-H59 VanDerWaalsContact CB-NE2 3.29Å; C55-H59 WeakPolarHBondContact CB-NE2 3.19Å; C55-H59 PolarHBondContact SG-NE2 3.17Å; C55-H59 VanDerWaalsContact SG-NE2 3.36Å; H59-D80 PolarHBondContact N-OD2 2.95Å
60I88.9Confident91.6Very high45 Ų4562.5 Ų62.523%0.23134%0.344CS..  trans-93.8132.3-173.2-57180000110.3V40 R58V40-I60 HydrophobicContact CB-CD1 4.28Å; V40-I60 HydrophobicContact CG1-CD1 3.87Å; V40-I60 HydrophobicContact CG1-CG1 4.15Å; V40-I60 HydrophobicContact CG2-CD1 3.45Å; V40-I60 VanDerWaalsContact CG2-CD1 3.45Å; V40-I60 HydrophobicContact CG2-CG1 4.48Å; R58-I60 HydrophobicContact CB-CG1 4.21Å
61K85.5Confident91.6Very high108 Ų10859.5 Ų59.547%0.4732%0.318SS..  trans-98.3139.7170.8-58.7177.9-176.41720109.4D63 R64K61-D63 VanDerWaalsContact C-N 3.3Å; K61-D63 WeakPolarHBondContact CB-OD1 3.34Å; K61-D63 PolarHBondContact O-N 3.26Å; K61-R64 PolarHBondContact O-NE 3.26Å
62A81.2Confident91.7Very high111 Ų11159.8 Ų59.892%0.91732%0.32SS*.THydrogen-bonded Turntrans-81.41.8-172.200000115.2R64A62-R64 PolarHBondContact O-N 3Å
63D85.6Confident91.9Very high123 Ų12363.7 Ų63.766%0.65833%0.326SS*.THydrogen-bonded Turntrans-88.85-168.860.7-27.8000114.8K61K61-D63 VanDerWaalsContact C-N 3.3Å; K61-D63 WeakPolarHBondContact CB-OD1 3.34Å; K61-D63 PolarHBondContact O-N 3.26Å
64R88.5Confident92Very high19 Ų1961.9 Ų61.97%0.07233%0.331CS..  trans-97.2132.3-170.7-50.9174.5-152.5-165.8-2.9110.4K61 A62 D80 C82 F84 L85K61-R64 PolarHBondContact O-NE 3.26Å; A62-R64 PolarHBondContact O-N 3Å; R64-D80 PolarHBondContact NH1-O 3.47Å; R64-D80 PolarHBondContact NH2-O 2.65Å; R64-C82 WeakPolarHBondContact CD-O 3.26Å; R64-C82 PolarHBondContact NE-O 2.75Å; R64-C82 PolarHBondContact NH1-O 3.36Å; R64-F84 WeakPolarHBondContact CD-O 3.49Å; R64-L85 HydrophobicContact CB-CB 4.48Å; R64-L85 HydrophobicContact CB-CD2 3.58Å; R64-L85 HydrophobicContact CB-CG 3.61Å; R64-L85 WeakPolarHBondContact O-CD1 3.45Å; R64-L85 WeakPolarHBondContact O-CD2 3.38Å; R64-L85 WeakPolarHBondContact O-CG 3.42Å
65T92.7Very high92Very high106 Ų10664.1 Ų64.165%0.6534%0.343SS*.  trans-115.4-26.1-172.854.40000114K92T65-K92 WeakPolarHBondContact O-CB 3.48Å
66V95.2Very high92Very high52 Ų5264.4 Ų64.432%0.31535%0.345SS..SBendtrans-119.5137.7-173.9179.20000110.5F84 L85 K92 P94V66-F84 HydrophobicContact CB-CD1 4.33Å; V66-F84 CarbonylContact O-C 3.46Å; V66-F84 WeakPolarHBondContact O-CA 3.14Å; V66-F84 WeakPolarHBondContact O-CB 3.26Å; V66-L85 PolarHBondContact O-N 3.37Å; V66-K92 WeakPolarHBondContact CA-O 3.26Å; V66-P94 HydrophobicContact CG1-CB 3.83Å; V66-P94 HydrophobicContact CG1-CG 4.22Å
67V96Very high91.9Very high1 Ų173.2 Ų73.21%0.00638%0.38CS..BIsolated β-bridgetrans-64.9135.6178.9179.80000112.1K69 W71 L72 L85 E87 D89 K92 M93 P94V67-K69 PolarHBondContact O-N 3.24Å; V67-W71 HydrophobicContact CG1-CE3 4.21Å; V67-W71 HydrophobicContact CG1-CZ3 4.3Å; V67-L72 HydrophobicContact CG1-CD1 4.05Å; V67-L72 HydrophobicContact CG1-CD2 3.88Å; V67-L72 HydrophobicContact CG1-CG 3.92Å; V67-L85 HydrophobicContact CG2-CB 4.45Å; V67-E87 WeakPolarHBondContact CG1-O 3.23Å; V67-E87 WeakPolarHBondContact CG2-O 3.35Å; V67-D89 WeakPolarHBondContact CG2-O 3.28Å; V67-K92 HydrophobicContact CG2-CB 4.06Å; V67-K92 PolarHBondContact N-O 2.81Å; V67-M93 HydrophobicContact CB-SD 4.25Å; V67-M93 HydrophobicContact CG1-SD 4.28Å; V67-P94 WeakPolarHBondContact O-CD 3.46Å
68C95.5Very high91.7Very high1 Ų176.7 Ų76.71%0.00739%0.394CS..  trans-72111.3178.3-177.30000111.1H70 W71 L72 C82 F84 L85C68-H70 PolarHBondContact O-N 3.48Å; C68-H70 VanDerWaalsContact O-N 3.1Å; C68-W71 HydrophobicContact CB-CB 3.69Å; C68-W71 PolarHBondContact O-N 3.45Å; C68-W71 VanDerWaalsContact O-N 3.12Å; C68-W71 PolarHBondContact SG-N 3.23Å; C68-L72 PolarHBondContact O-N 3.12Å; C68-C82 VanDerWaalsContact SG-SG 3.6Å; C68-F84 HydrophobicContact CB-CB 3.45Å; C68-F84 VanDerWaalsContact CB-CB 3.45Å; C68-F84 HydrophobicContact CB-CG 4.43Å; C68-L85 VanDerWaalsContact CB-O 3.26Å; C68-L85 WeakPolarHBondContact CB-O 3.37Å; C68-L85 PolarHBondContact N-O 3.2Å
69K95.3Very high91.4Very high119 Ų11976 Ų7652%0.51739%0.393SS..THydrogen-bonded Turntrans-57.5-26.6176.672.3179.5-177.4-177.50114.5V67 F112V67-K69 PolarHBondContact O-N 3.24Å; K69-F112 HydrophobicContact CB-CE1 4.41Å
70H95.2Very high91.1Very high97 Ų9776 Ų7645%0.44939%0.394SS..THydrogen-bonded Turntrans-83.3-34179.6-54.5109.2000111.9C68 R73 G74 L75 C76C68-H70 PolarHBondContact O-N 3.48Å; C68-H70 VanDerWaalsContact O-N 3.1Å; H70-R73 PolarHBondContact O-N 3.45Å; H70-G74 PolarHBondContact O-N 3.07Å; H70-L75 PolarHBondContact O-N 3.45Å; H70-C76 HydrophobicContact CB-CB 4.27Å; H70-C76 PolarHBondContact O-N 3.45Å
71W94.6Very high91.1Very high52 Ų5279.3 Ų79.320%0.19741%0.412CS..G310 helixtrans-66.7-37.4176.3171.478.1000111.8V67 C68 R73 G74 C76 H86 E87V67-W71 HydrophobicContact CG1-CE3 4.21Å; V67-W71 HydrophobicContact CG1-CZ3 4.3Å; C68-W71 HydrophobicContact CB-CB 3.69Å; C68-W71 PolarHBondContact O-N 3.45Å; C68-W71 VanDerWaalsContact O-N 3.12Å; C68-W71 PolarHBondContact SG-N 3.23Å; W71-R73 PolarHBondContact O-N 3.49Å; W71-G74 PolarHBondContact O-N 3.33Å; W71-C76 HydrophobicContact CB-CB 4.1Å; W71-H86 VanDerWaalsContact CB-CD2 3.4Å; W71-H86 WeakPolarHBondContact CB-CD2 3.48Å; W71-H86 AromaticContact CD1-CD2 3.83Å; W71-H86 AromaticContact CD1-CG 3.39Å; W71-H86 AromaticContact CD1-ND1 3.54Å; W71-H86 VanDerWaalsContact CD2-CA 3.5Å; W71-H86 HydrophobicContact CD2-CB 3.86Å; W71-H86 HydrophobicContact CG-CB 3.79Å; W71-H86 AromaticContact CG-CD2 3.54Å; W71-H86 AromaticContact CG-CG 3.52Å; W71-H86 VanDerWaalsContact CZ2-C 3.48Å; W71-H86 WeakPolarHBondContact CZ2-O 3.29Å; W71-H86 AromaticContact NE1-CG 3.92Å; W71-E87 VanDerWaalsContact CZ3-O 3.24Å; W71-E87 WeakPolarHBondContact CZ3-O 3.37Å
72L93.7Very high91.4Very high55 Ų5574.4 Ų74.429%0.28839%0.391SS..G310 helixtrans-54.4-25174.1-68.4172.3000113.7V67 C68 Y88 M93V67-L72 HydrophobicContact CG1-CD1 4.05Å; V67-L72 HydrophobicContact CG1-CD2 3.88Å; V67-L72 HydrophobicContact CG1-CG 3.92Å; C68-L72 PolarHBondContact O-N 3.12Å; L72-Y88 HydrophobicContact CD2-CD2 3.85Å; L72-Y88 HydrophobicContact CD2-CE2 4.19Å; L72-M93 HydrophobicContact CD1-CE 4.03Å; L72-M93 HydrophobicContact CD1-SD 3.43Å; L72-M93 WeakPolarHBondContact CD1-SD 3.48Å; L72-M93 HydrophobicContact CD2-CE 4.35Å
73R93Very high92Very high187 Ų18775.5 Ų75.571%0.70638%0.377SS*.G310 helixtrans-102.62.6178.2-58.5179.7-176.3178.9-1.2113.1H70 W71 L75H70-R73 PolarHBondContact O-N 3.45Å; W71-R73 PolarHBondContact O-N 3.49Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 HydrophobicContact CB-CD1 4.09Å; R73-L75 HydrophobicContact CB-CG 4.11Å; R73-L75 PolarHBondContact O-N 3.26Å
74G92.3Very high92.4Very high60 Ų6074 Ų7462%0.61937%0.365SS*.THydrogen-bonded Turntrans71.816.4-173.600000114.8H70 W71H70-G74 PolarHBondContact O-N 3.07Å; W71-G74 PolarHBondContact O-N 3.33Å
75L93.3Very high92.7Very high120 Ų12073.6 Ų73.663%0.62837%0.365SS*.  trans-108.19-171.1-60.9177.4000114.1H70 R73 K77H70-L75 PolarHBondContact O-N 3.45Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 HydrophobicContact CB-CD1 4.09Å; R73-L75 HydrophobicContact CB-CG 4.11Å; R73-L75 PolarHBondContact O-N 3.26Å; L75-K77 PolarHBondContact O-N 3.28Å
76C93.2Very high92.6Very high6 Ų669 Ų694%0.04134%0.335CS..  trans-71.2114.8-179.7-169.90000111.3N34 H70 W71 C82 H86N34-C76 PolarHBondContact ND2-O 3.44Å; H70-C76 HydrophobicContact CB-CB 4.27Å; H70-C76 PolarHBondContact O-N 3.45Å; W71-C76 HydrophobicContact CB-CB 4.1Å; C76-C82 VanDerWaalsContact SG-SG 3.69Å; C76-H86 PolarHBondContact SG-CE1 3.47Å; C76-H86 PolarHBondContact SG-NE2 3.21Å
77K90.5Very high92.4Very high210 Ų21070.5 Ų70.591%0.91334%0.339SS*.SBendtrans-83.4-19.7175.5-62.2-174.7179.8-175.70113.8L75 G79L75-K77 PolarHBondContact O-N 3.28Å; K77-G79 VanDerWaalsContact C-N 3.27Å; K77-G79 PolarHBondContact O-N 3.2Å
78K89.8Confident92.3Very high104 Ų10478.3 Ų78.345%0.45237%0.37SS..SBendtrans-75.5-14.5-178.6-66.1-170.1176-171.70113D80 D81 C82 E83K78-D80 PolarHBondContact O-N 3.35Å; K78-D81 WeakPolarHBondContact O-CA 3.36Å; K78-D81 WeakPolarHBondContact O-CB 3.24Å; K78-D81 PolarHBondContact O-N 3.21Å; K78-C82 HydrophobicContact CB-CB 3.87Å; K78-C82 PolarHBondContact O-N 2.99Å; K78-E83 IonicContact NZ-OE1 3.83Å; K78-E83 PolarHBondContact NZ-OE1 2.81Å
79G86.9Confident92.2Very high6 Ų680.2 Ų80.26%0.06238%0.38CS..G310 helixtrans52.8-126.8178.400000112.4K77 D81 C82 H86K77-G79 VanDerWaalsContact C-N 3.27Å; K77-G79 PolarHBondContact O-N 3.2Å; G79-D81 VanDerWaalsContact C-N 3.28Å; G79-D81 PolarHBondContact O-N 3.02Å; G79-C82 WeakPolarHBondContact O-CB 3.45Å; G79-C82 PolarHBondContact O-N 3.4Å; G79-H86 PolarHBondContact O-CE1 3.1Å
80D87.3Confident92.1Very high15 Ų1578.4 Ų78.48%0.0837%0.374CS..G310 helixtrans-71.7-20.8178.5-72.4-16.7000113.5K35 R58 H59 R64 K78 C82K35-D80 WeakPolarHBondContact CE-OD2 3.4Å; K35-D80 IonicContact NZ-OD2 3.22Å; K35-D80 PolarHBondContact NZ-OD2 2.84Å; R58-D80 VanDerWaalsContact CA-OD2 3.3Å; R58-D80 WeakPolarHBondContact CA-OD2 3.29Å; R58-D80 IonicContact NE-OD1 2.74Å; R58-D80 PolarHBondContact NE-OD1 3.44Å; R58-D80 IonicContact NH2-OD1 2.9Å; H59-D80 PolarHBondContact N-OD2 2.95Å; R64-D80 PolarHBondContact NH1-O 3.47Å; R64-D80 PolarHBondContact NH2-O 2.65Å; K78-D80 PolarHBondContact O-N 3.35Å; D80-C82 PolarHBondContact O-N 3.1Å
81D88.2Confident92Very high114 Ų11478.9 Ų78.961%0.6138%0.384SS*.G310 helixtrans-82.68.1175.2-63.5-44.5000113K78 G79 E83K78-D81 WeakPolarHBondContact O-CA 3.36Å; K78-D81 WeakPolarHBondContact O-CB 3.24Å; K78-D81 PolarHBondContact O-N 3.21Å; G79-D81 VanDerWaalsContact C-N 3.28Å; G79-D81 PolarHBondContact O-N 3.02Å; D81-E83 PolarHBondContact O-N 3.32Å
82C92Very high92Very high4 Ų480.2 Ų80.23%0.02739%0.391CS..  trans-67.8126.8174.4-161.70000111.2R64 C68 C76 K78 G79 D80 F84 H86R64-C82 WeakPolarHBondContact CD-O 3.26Å; R64-C82 PolarHBondContact NE-O 2.75Å; R64-C82 PolarHBondContact NH1-O 3.36Å; C68-C82 VanDerWaalsContact SG-SG 3.6Å; C76-C82 VanDerWaalsContact SG-SG 3.69Å; K78-C82 HydrophobicContact CB-CB 3.87Å; K78-C82 PolarHBondContact O-N 2.99Å; G79-C82 WeakPolarHBondContact O-CB 3.45Å; G79-C82 PolarHBondContact O-N 3.4Å; D80-C82 PolarHBondContact O-N 3.1Å; C82-F84 PolarHBondContact O-N 3.17Å; C82-F84 VanDerWaalsContact O-N 3.15Å; C82-H86 VanDerWaalsContact CB-NE2 3.34Å; C82-H86 WeakPolarHBondContact CB-NE2 3.5Å; C82-H86 PolarHBondContact SG-NE2 3.34Å
83E93.1Very high92Very high135 Ų13577.8 Ų77.863%0.63138%0.379SS*.SBendtrans-65.7-10.4173.5-67.5147.2-124.700113.5K78 D81K78-E83 IonicContact NZ-OE1 3.83Å; K78-E83 PolarHBondContact NZ-OE1 2.81Å; D81-E83 PolarHBondContact O-N 3.32Å
84F94.7Very high92.2Very high90 Ų9070.5 Ų70.540%0.39536%0.355SS..SBendtrans-109.6155.5-177.8-61-77.9000111.3R64 V66 C68 C82R64-F84 WeakPolarHBondContact CD-O 3.49Å; V66-F84 HydrophobicContact CB-CD1 4.33Å; V66-F84 CarbonylContact O-C 3.46Å; V66-F84 WeakPolarHBondContact O-CA 3.14Å; V66-F84 WeakPolarHBondContact O-CB 3.26Å; C68-F84 HydrophobicContact CB-CB 3.45Å; C68-F84 VanDerWaalsContact CB-CB 3.45Å; C68-F84 HydrophobicContact CB-CG 4.43Å; C82-F84 PolarHBondContact O-N 3.17Å; C82-F84 VanDerWaalsContact O-N 3.15Å
85L93.5Very high92.3Very high12 Ų1271.5 Ų71.56%0.06334%0.344CS..BIsolated β-bridgetrans-65.4135.2178.8-74.3167.4000111.3R64 V66 V67 C68 K92R64-L85 HydrophobicContact CB-CB 4.48Å; R64-L85 HydrophobicContact CB-CD2 3.58Å; R64-L85 HydrophobicContact CB-CG 3.61Å; R64-L85 WeakPolarHBondContact O-CD1 3.45Å; R64-L85 WeakPolarHBondContact O-CD2 3.38Å; R64-L85 WeakPolarHBondContact O-CG 3.42Å; V66-L85 PolarHBondContact O-N 3.37Å; V67-L85 HydrophobicContact CG2-CB 4.45Å; C68-L85 VanDerWaalsContact CB-O 3.26Å; C68-L85 WeakPolarHBondContact CB-O 3.37Å; C68-L85 PolarHBondContact N-O 3.2Å; L85-K92 HydrophobicContact CD1-CB 4.37Å; L85-K92 HydrophobicContact CD1-CD 3.53Å
86H92.4Very high92.3Very high8 Ų865.9 Ų65.94%0.03732%0.315CS..  trans-106.455.8169.7-75-171.4000108.5R58 W71 C76 G79 C82R58-H86 VanDerWaalsContact NH2-CB 3.29Å; W71-H86 VanDerWaalsContact CB-CD2 3.4Å; W71-H86 WeakPolarHBondContact CB-CD2 3.48Å; W71-H86 AromaticContact CD1-CD2 3.83Å; W71-H86 AromaticContact CD1-CG 3.39Å; W71-H86 AromaticContact CD1-ND1 3.54Å; W71-H86 VanDerWaalsContact CD2-CA 3.5Å; W71-H86 HydrophobicContact CD2-CB 3.86Å; W71-H86 HydrophobicContact CG-CB 3.79Å; W71-H86 AromaticContact CG-CD2 3.54Å; W71-H86 AromaticContact CG-CG 3.52Å; W71-H86 VanDerWaalsContact CZ2-C 3.48Å; W71-H86 WeakPolarHBondContact CZ2-O 3.29Å; W71-H86 AromaticContact NE1-CG 3.92Å; C76-H86 PolarHBondContact SG-CE1 3.47Å; C76-H86 PolarHBondContact SG-NE2 3.21Å; G79-H86 PolarHBondContact O-CE1 3.1Å; C82-H86 VanDerWaalsContact CB-NE2 3.34Å; C82-H86 WeakPolarHBondContact CB-NE2 3.5Å; C82-H86 PolarHBondContact SG-NE2 3.34Å
87E91.2Very high92.4Very high84 Ų8472.4 Ų72.439%0.39334%0.34SS..SBendtrans-136.7141.8-178.4-69.1177.4-173.200108.1V67 W71 D89V67-E87 WeakPolarHBondContact CG1-O 3.23Å; V67-E87 WeakPolarHBondContact CG2-O 3.35Å; W71-E87 VanDerWaalsContact CZ3-O 3.24Å; W71-E87 WeakPolarHBondContact CZ3-O 3.37Å; E87-D89 PolarHBondContact O-N 3.47Å
88Y92.6Very high92.6Very high165 Ų16568.2 Ų68.265%0.64732%0.321SS*.  trans-89.485.9179.1-169.3-94.1000109L72 M90L72-Y88 HydrophobicContact CD2-CD2 3.85Å; L72-Y88 HydrophobicContact CD2-CE2 4.19Å; Y88-M90 HydrophobicContact CE1-CG 4.11Å; Y88-M90 HydrophobicContact CE1-SD 3.9Å; Y88-M90 HydrophobicContact CE2-SD 4.27Å; Y88-M90 PolarHBondContact OH-SD 3.34Å; Y88-M90 VanDerWaalsContact OH-SD 3.38Å
89D94Very high92.8Very high41 Ų4165.4 Ų65.422%0.21931%0.309CS..  trans-124.4109.1176.8-175.7-10.6000109.6V67 E87 T91 K92 M93V67-D89 WeakPolarHBondContact CG2-O 3.28Å; E87-D89 PolarHBondContact O-N 3.47Å; D89-T91 VanDerWaalsContact CG-OG1 3.31Å; D89-T91 PolarHBondContact O-N 3.09Å; D89-T91 WeakPolarHBondContact OD1-CB 3.49Å; D89-T91 PolarHBondContact OD1-N 3.5Å; D89-T91 PolarHBondContact OD1-OG1 3.32Å; D89-T91 PolarHBondContact OD2-OG1 3.38Å; D89-K92 HydrophobicContact CB-CB 4.32Å; D89-K92 HydrophobicContact CB-CD 4.39Å; D89-K92 PolarHBondContact O-N 3.24Å; D89-K92 VanDerWaalsContact OD2-CD 3.26Å; D89-K92 WeakPolarHBondContact OD2-CD 3.48Å; D89-K92 WeakPolarHBondContact OD2-CE 3.44Å; D89-K92 WeakPolarHBondContact OD2-CG 3.37Å; D89-K92 IonicContact OD2-NZ 2.77Å; D89-K92 PolarHBondContact OD2-NZ 2.93Å; D89-M93 PolarHBondContact O-N 2.78Å
90M92.6Very high93Very high81 Ų8167.5 Ų67.540%0.39932%0.323SS..G310 helixtrans-65-24.6-178.1-64.2-59.8-69.200112.6Y88 K92 M93 P111Y88-M90 HydrophobicContact CE1-CG 4.11Å; Y88-M90 HydrophobicContact CE1-SD 3.9Å; Y88-M90 HydrophobicContact CE2-SD 4.27Å; Y88-M90 PolarHBondContact OH-SD 3.34Å; Y88-M90 VanDerWaalsContact OH-SD 3.38Å; M90-K92 VanDerWaalsContact C-N 3.29Å; M90-K92 PolarHBondContact O-N 2.95Å; M90-M93 HydrophobicContact SD-CE 3.76Å; M90-P111 HydrophobicContact CE-CB 4.26Å; M90-P111 WeakPolarHBondContact CE-O 3.4Å
91T92.5Very high93.2Very high108 Ų10872.9 Ų72.966%0.66335%0.346SS*.G310 helixtrans-74.6-23.4179.570.20000112.6D89D89-T91 VanDerWaalsContact CG-OG1 3.31Å; D89-T91 PolarHBondContact O-N 3.09Å; D89-T91 WeakPolarHBondContact OD1-CB 3.49Å; D89-T91 PolarHBondContact OD1-N 3.5Å; D89-T91 PolarHBondContact OD1-OG1 3.32Å; D89-T91 PolarHBondContact OD2-OG1 3.38Å
92K94.5Very high93.4Very high80 Ų8073.9 Ų73.935%0.34835%0.345SS..G310 helixtrans-104.613.1-178.6-65.1179.8-167160.90112.8T65 V66 V67 L85 D89 M90T65-K92 WeakPolarHBondContact O-CB 3.48Å; V66-K92 WeakPolarHBondContact CA-O 3.26Å; V67-K92 HydrophobicContact CG2-CB 4.06Å; V67-K92 PolarHBondContact N-O 2.81Å; L85-K92 HydrophobicContact CD1-CB 4.37Å; L85-K92 HydrophobicContact CD1-CD 3.53Å; D89-K92 HydrophobicContact CB-CB 4.32Å; D89-K92 HydrophobicContact CB-CD 4.39Å; D89-K92 PolarHBondContact O-N 3.24Å; D89-K92 VanDerWaalsContact OD2-CD 3.26Å; D89-K92 WeakPolarHBondContact OD2-CD 3.48Å; D89-K92 WeakPolarHBondContact OD2-CE 3.44Å; D89-K92 WeakPolarHBondContact OD2-CG 3.37Å; D89-K92 IonicContact OD2-NZ 2.77Å; D89-K92 PolarHBondContact OD2-NZ 2.93Å; M90-K92 VanDerWaalsContact C-N 3.29Å; M90-K92 PolarHBondContact O-N 2.95Å
93M95.7Very high93.4Very high4 Ų476.1 Ų76.12%0.0237%0.369CS..PPolyproline II helixtrans-66.3141.9179.8-163.46860.400110.3V67 L72 D89 M90 P111 F112 L113V67-M93 HydrophobicContact CB-SD 4.25Å; V67-M93 HydrophobicContact CG1-SD 4.28Å; L72-M93 HydrophobicContact CD1-CE 4.03Å; L72-M93 HydrophobicContact CD1-SD 3.43Å; L72-M93 WeakPolarHBondContact CD1-SD 3.48Å; L72-M93 HydrophobicContact CD2-CE 4.35Å; D89-M93 PolarHBondContact O-N 2.78Å; M90-M93 HydrophobicContact SD-CE 3.76Å; M93-P111 VanDerWaalsContact CG-O 3.29Å; M93-P111 WeakPolarHBondContact CG-O 3.2Å; M93-F112 HydrophobicContact CG-CD1 3.79Å; M93-F112 HydrophobicContact CG-CE1 4.47Å; M93-F112 HydrophobicContact SD-CD1 4.23Å; M93-F112 HydrophobicContact SD-CE1 4.33Å; M93-L113 HydrophobicContact CB-CD2 4.44Å; M93-L113 HydrophobicContact CB-CG 4.16Å; M93-L113 WeakPolarHBondContact O-CD1 3.46Å; M93-L113 VanDerWaalsContact O-CG 3.29Å; M93-L113 WeakPolarHBondContact O-CG 3.4Å
94P95.5Very high93.4Very high33 Ų3375.8 Ų75.821%0.21437%0.367CS..PPolyproline II helixtrans-60.6156.8172.521-30.4000111.5V66 V67 F112 L113V66-P94 HydrophobicContact CG1-CB 3.83Å; V66-P94 HydrophobicContact CG1-CG 4.22Å; V67-P94 WeakPolarHBondContact O-CD 3.46Å; P94-F112 HydrophobicContact CG-CD1 3.77Å; P94-F112 HydrophobicContact CG-CE1 3.79Å; P94-F112 WeakPolarHBondContact O-CA 3.42Å; P94-F112 WeakPolarHBondContact O-CB 3.26Å; P94-F112 WeakPolarHBondContact O-CD1 3.46Å; P94-L113 PolarHBondContact O-N 3.15Å; P94-L113 VanDerWaalsContact O-N 3.09Å
95E93.9Very high93.4Very high81 Ų8172.7 Ų72.738%0.37936%0.356SS..BIsolated β-bridgetrans-65.8144.8178.2-61.3-177.1-164.300112.2Y97 I115 K120E95-Y97 PolarHBondContact O-N 3.44Å; E95-I115 HydrophobicContact CG-CD1 3.84Å; E95-I115 HydrophobicContact CG-CG1 4.48Å; E95-K120 VanDerWaalsContact OE1-CE 3.28Å; E95-K120 WeakPolarHBondContact OE1-CE 3.45Å; E95-K120 IonicContact OE1-NZ 3.4Å; E95-K120 PolarHBondContact OE1-NZ 2.82Å; E95-K120 IonicContact OE2-NZ 2.87Å; E95-K120 PolarHBondContact OE2-NZ 2.97Å
96C95.4Very high93.5Very high3 Ų379 Ų792%0.0239%0.387CS..PPolyproline II helixtrans-70.1116.5173.5-179.30000109.9F98 F99 S100 F112 L113 H114C96-F98 VanDerWaalsContact C-N 3.32Å; C96-F98 PolarHBondContact O-N 2.71Å; C96-F99 HydrophobicContact CB-CB 3.9Å; C96-F99 PolarHBondContact O-N 3.34Å; C96-F99 PolarHBondContact SG-N 2.85Å; C96-S100 VanDerWaalsContact O-CB 3.26Å; C96-S100 WeakPolarHBondContact O-CB 3.29Å; C96-S100 PolarHBondContact O-N 3.35Å; C96-F112 HydrophobicContact CB-CB 3.75Å; C96-L113 PolarHBondContact N-O 3.02Å; C96-H114 WeakPolarHBondContact CB-CD2 3.28Å; C96-H114 PolarHBondContact SG-NE2 3.33Å
97Y94.1Very high93.6Very high143 Ų14382.7 Ų82.756%0.56141%0.407SS*.Hα-helixtrans-57-44.2176.9178.2-97.7000112.7E95 K101 F102E95-Y97 PolarHBondContact O-N 3.44Å; Y97-K101 HydrophobicContact CE1-CD 3.92Å; Y97-K101 HydrophobicContact CE2-CD 4.25Å; Y97-K101 VanDerWaalsContact O-CB 3.26Å; Y97-K101 WeakPolarHBondContact O-CB 3.42Å; Y97-K101 PolarHBondContact O-N 3.42Å; Y97-K101 VanDerWaalsContact OH-CD 3.28Å; Y97-K101 WeakPolarHBondContact OH-CD 3.48Å; Y97-K101 PolarHBondContact OH-NZ 3.47Å; Y97-F102 HydrophobicContact CE1-CE2 4.5Å
98F94.8Very high93.7Very high121 Ų12188.8 Ų88.853%0.53143%0.432SS..Hα-helixtrans-66.9-46.7-176.7-64.2-76.2000111.7C96 K101 F102 E104C96-F98 VanDerWaalsContact C-N 3.32Å; C96-F98 PolarHBondContact O-N 2.71Å; F98-K101 PolarHBondContact O-N 3.49Å; F98-F102 HydrophobicContact CD1-CD2 4.16Å; F98-F102 HydrophobicContact CD1-CE2 4.06Å; F98-F102 WeakPolarHBondContact O-CB 3.08Å; F98-F102 PolarHBondContact O-N 3.37Å; F98-E104 CarbonylContact C-O 3.57Å
99F94.4Very high93.7Very high45 Ų4589.1 Ų89.120%0.19744%0.44CS..Hα-helixtrans-63.3-45.1176.9-169.6-97.2000111.7C96 K101 G103 C105 H114C96-F99 HydrophobicContact CB-CB 3.9Å; C96-F99 PolarHBondContact O-N 3.34Å; C96-F99 PolarHBondContact SG-N 2.85Å; F99-K101 VanDerWaalsContact C-N 3.34Å; F99-K101 PolarHBondContact O-N 3.49Å; F99-G103 WeakPolarHBondContact CE2-O 3.44Å; F99-G103 WeakPolarHBondContact O-CA 3.35Å; F99-G103 PolarHBondContact O-N 3.38Å; F99-C105 HydrophobicContact CB-CB 4.35Å; F99-H114 HydrophobicContact CB-CB 4.41Å; F99-H114 HydrophobicContact CD1-CB 3.66Å; F99-H114 HydrophobicContact CD2-CB 4.05Å; F99-H114 AromaticContact CD2-CG 3.85Å; F99-H114 AromaticContact CD2-ND1 3.97Å; F99-H114 HydrophobicContact CE1-CB 3.85Å; F99-H114 HydrophobicContact CE2-CB 4.23Å; F99-H114 HydrophobicContact CG-CB 3.76Å; F99-H114 AromaticContact CG-CD2 3.88Å; F99-H114 AromaticContact CG-CG 3.69Å; F99-H114 HydrophobicContact CZ-CB 4.13Å
100S91.7Very high93.7Very high50 Ų5088.4 Ų88.435%0.3544%0.438SS..Hα-helixtrans-63.2-37.9179.9-170.90000112.9C96C96-S100 VanDerWaalsContact O-CB 3.26Å; C96-S100 WeakPolarHBondContact O-CB 3.29Å; C96-S100 PolarHBondContact O-N 3.35Å
101K91.4Very high93.7Very high128 Ų12886.9 Ų86.956%0.55743%0.434SS*.Hα-helixtrans-89-40.3-175.4-175.9171.3176.8177.70114.2Y97 F98 F99Y97-K101 HydrophobicContact CE1-CD 3.92Å; Y97-K101 HydrophobicContact CE2-CD 4.25Å; Y97-K101 VanDerWaalsContact O-CB 3.26Å; Y97-K101 WeakPolarHBondContact O-CB 3.42Å; Y97-K101 PolarHBondContact O-N 3.42Å; Y97-K101 VanDerWaalsContact OH-CD 3.28Å; Y97-K101 WeakPolarHBondContact OH-CD 3.48Å; Y97-K101 PolarHBondContact OH-NZ 3.47Å; F98-K101 PolarHBondContact O-N 3.49Å; F99-K101 VanDerWaalsContact C-N 3.34Å; F99-K101 PolarHBondContact O-N 3.49Å
102F92Very high93.9Very high135 Ų13584.2 Ų84.259%0.59241%0.413SS*.Hα-helixtrans-110.8-8.3-172.1-55.9-70.1000113.2Y97 F98 E104Y97-F102 HydrophobicContact CE1-CE2 4.5Å; F98-F102 HydrophobicContact CD1-CD2 4.16Å; F98-F102 HydrophobicContact CD1-CE2 4.06Å; F98-F102 WeakPolarHBondContact O-CB 3.08Å; F98-F102 PolarHBondContact O-N 3.37Å; F102-E104 PolarHBondContact O-N 3.24Å
103G90.6Very high93.9Very high51 Ų5183.1 Ų83.153%0.52641%0.411SS..SBendtrans77.9-2.8-175.300000114.1F99F99-G103 WeakPolarHBondContact CE2-O 3.44Å; F99-G103 WeakPolarHBondContact O-CA 3.35Å; F99-G103 PolarHBondContact O-N 3.38Å
104E93Very high93.8Very high129 Ų12987 Ų8760%0.60343%0.429SS*.  trans-140.9143-176.3-163.5178.4-179.800111.1F98 F102 M106F98-E104 CarbonylContact C-O 3.57Å; F102-E104 PolarHBondContact O-N 3.24Å; E104-M106 HydrophobicContact CB-CE 4.34Å; E104-M106 HydrophobicContact CG-CE 3.52Å; E104-M106 VanDerWaalsContact OE1-CE 3.23Å; E104-M106 WeakPolarHBondContact OE1-CE 3.44Å
105C95.6Very high93.6Very high24 Ų2487.7 Ų87.716%0.16243%0.43CS..  trans-122.2125.6173.4-176.90000109.2F99 N107 H114F99-C105 HydrophobicContact CB-CB 4.35Å; C105-N107 PolarHBondContact O-N 3.49Å; C105-H114 WeakPolarHBondContact CB-CE1 3.41Å; C105-H114 WeakPolarHBondContact CB-NE2 3.4Å
106M95.6Very high93.1Very high146 Ų14688 Ų8872%0.71943%0.434SS*.SBendtrans-72.7-17.3-179.2-62-66.797.900113.3E104E104-M106 HydrophobicContact CB-CE 4.34Å; E104-M106 HydrophobicContact CG-CE 3.52Å; E104-M106 VanDerWaalsContact OE1-CE 3.23Å; E104-M106 WeakPolarHBondContact OE1-CE 3.44Å
107N93.7Very high92.3Very high85 Ų8591 Ų9146%0.45545%0.454SS..  trans-88.1116-179.1-173.410.8000110.8C105 E109 C110C105-N107 PolarHBondContact O-N 3.49Å; N107-E109 VanDerWaalsContact C-N 3.28Å; N107-E109 PolarHBondContact ND2-O 3.47Å; N107-E109 PolarHBondContact O-N 2.77Å; N107-E109 PolarHBondContact OD1-N 2.95Å; N107-E109 VanDerWaalsContact OD1-N 3.15Å; N107-C110 HydrophobicContact CB-CB 4.24Å; N107-C110 PolarHBondContact O-N 2.85Å
108K93.3Very high91.5Very high211 Ų21186.5 Ų86.592%0.91745%0.446SS*.THydrogen-bonded Turntrans-64.5-33.1177.3-65.6-175.5179.6-1790112.6
109E93.7Very high90.7Very high172 Ų17283.8 Ų83.880%0.80444%0.442SS*.THydrogen-bonded Turntrans-11050.6179.5-63.7178.3-175.400109.6N107 P111N107-E109 VanDerWaalsContact C-N 3.28Å; N107-E109 PolarHBondContact ND2-O 3.47Å; N107-E109 PolarHBondContact O-N 2.77Å; N107-E109 PolarHBondContact OD1-N 2.95Å; N107-E109 VanDerWaalsContact OD1-N 3.15Å; E109-P111 VanDerWaalsContact O-CD 3.3Å; E109-P111 WeakPolarHBondContact O-CD 3.43Å
110C94.1Very high90Very high26 Ų2686.1 Ų86.118%0.17645%0.452CS..  trans-70.8119.3176.2-171.70000109.8N107 F112 H114N107-C110 HydrophobicContact CB-CB 4.24Å; N107-C110 PolarHBondContact O-N 2.85Å; C110-F112 VanDerWaalsContact C-N 3.26Å; C110-F112 PolarHBondContact O-N 3.45Å; C110-H114 PolarHBondContact SG-NE2 3.4Å
111P93.2Very high89.6Confident49 Ų4986.3 Ų86.332%0.31845%0.451SS..  trans-73.2-22.9177.429.4-34.5000112.2M90 M93 E109M90-P111 HydrophobicContact CE-CB 4.26Å; M90-P111 WeakPolarHBondContact CE-O 3.4Å; M93-P111 VanDerWaalsContact CG-O 3.29Å; M93-P111 WeakPolarHBondContact CG-O 3.2Å; E109-P111 VanDerWaalsContact O-CD 3.3Å; E109-P111 WeakPolarHBondContact O-CD 3.43Å
112F95.5Very high89.3Confident53 Ų5387 Ų8723%0.23246%0.457CS..SBendtrans-76.5150.2-174.6-58.8-65.4000112.9K69 M93 P94 C96 C110 H114K69-F112 HydrophobicContact CB-CE1 4.41Å; M93-F112 HydrophobicContact CG-CD1 3.79Å; M93-F112 HydrophobicContact CG-CE1 4.47Å; M93-F112 HydrophobicContact SD-CD1 4.23Å; M93-F112 HydrophobicContact SD-CE1 4.33Å; P94-F112 HydrophobicContact CG-CD1 3.77Å; P94-F112 HydrophobicContact CG-CE1 3.79Å; P94-F112 WeakPolarHBondContact O-CA 3.42Å; P94-F112 WeakPolarHBondContact O-CB 3.26Å; P94-F112 WeakPolarHBondContact O-CD1 3.46Å; C96-F112 HydrophobicContact CB-CB 3.75Å; C110-F112 VanDerWaalsContact C-N 3.26Å; C110-F112 PolarHBondContact O-N 3.45Å; F112-H114 PolarHBondContact O-CD2 2.99Å; F112-H114 PolarHBondContact O-N 3.42Å
113L94.2Very high89.2Confident56 Ų5684 Ų8429%0.29345%0.446SS..BIsolated β-bridgetrans-68125.6-175.6-60.6178.8000111.8M93 P94 C96 I115M93-L113 HydrophobicContact CB-CD2 4.44Å; M93-L113 HydrophobicContact CB-CG 4.16Å; M93-L113 WeakPolarHBondContact O-CD1 3.46Å; M93-L113 VanDerWaalsContact O-CG 3.29Å; M93-L113 WeakPolarHBondContact O-CG 3.4Å; P94-L113 PolarHBondContact O-N 3.15Å; P94-L113 VanDerWaalsContact O-N 3.09Å; C96-L113 PolarHBondContact N-O 3.02Å; L113-I115 HydrophobicContact CB-CD1 4.25Å; L113-I115 HydrophobicContact CB-CG1 4.01Å; L113-I115 HydrophobicContact CD1-CD1 4.36Å; L113-I115 PolarHBondContact O-N 2.92Å
114H94Very high89.2Confident86 Ų8681.7 Ų81.740%0.39842%0.422SS..  trans-92.490.7170.7-70.3178.5000109.3C96 F99 C105 C110 F112C96-H114 WeakPolarHBondContact CB-CD2 3.28Å; C96-H114 PolarHBondContact SG-NE2 3.33Å; F99-H114 HydrophobicContact CB-CB 4.41Å; F99-H114 HydrophobicContact CD1-CB 3.66Å; F99-H114 HydrophobicContact CD2-CB 4.05Å; F99-H114 AromaticContact CD2-CG 3.85Å; F99-H114 AromaticContact CD2-ND1 3.97Å; F99-H114 HydrophobicContact CE1-CB 3.85Å; F99-H114 HydrophobicContact CE2-CB 4.23Å; F99-H114 HydrophobicContact CG-CB 3.76Å; F99-H114 AromaticContact CG-CD2 3.88Å; F99-H114 AromaticContact CG-CG 3.69Å; F99-H114 HydrophobicContact CZ-CB 4.13Å; C105-H114 WeakPolarHBondContact CB-CE1 3.41Å; C105-H114 WeakPolarHBondContact CB-NE2 3.4Å; C110-H114 PolarHBondContact SG-NE2 3.4Å; F112-H114 PolarHBondContact O-CD2 2.99Å; F112-H114 PolarHBondContact O-N 3.42Å
115I90.6Very high89.2Confident47 Ų4778.8 Ų78.824%0.24142%0.415CS..  trans-102.4119.4179.4-53.4-178.5000108.7E95 L113 P117 S119 K120E95-I115 HydrophobicContact CG-CD1 3.84Å; E95-I115 HydrophobicContact CG-CG1 4.48Å; L113-I115 HydrophobicContact CB-CD1 4.25Å; L113-I115 HydrophobicContact CB-CG1 4.01Å; L113-I115 HydrophobicContact CD1-CD1 4.36Å; L113-I115 PolarHBondContact O-N 2.92Å; I115-P117 WeakPolarHBondContact O-CD 3.39Å; I115-S119 WeakPolarHBondContact CG2-OG 3.18Å; I115-K120 HydrophobicContact CG2-CD 4.46Å; I115-K120 HydrophobicContact CG2-CG 3.92Å
116D84Confident89.1Confident88 Ų8885.1 Ų85.147%0.47144%0.435SS..  trans-63.9125174.5-176.5-14.5000108.9A118 S119D116-A118 PolarHBondContact O-N 2.65Å; D116-A118 WeakPolarHBondContact OD1-CB 3.47Å; D116-A118 PolarHBondContact OD1-N 2.84Å; D116-S119 WeakPolarHBondContact O-CB 3.26Å; D116-S119 PolarHBondContact O-N 2.89Å; D116-S119 PolarHBondContact O-OG 3.07Å
117P79Confident88.9Confident67 Ų6781.7 Ų81.744%0.43542%0.415SS..Hα-helixtrans-49.7-34174.1-27.935.6000113.4I115 S119 K120I115-P117 WeakPolarHBondContact O-CD 3.39Å; P117-S119 PolarHBondContact O-N 2.86Å; P117-K120 PolarHBondContact O-N 2.71Å
118A76.6Confident88.7Confident48 Ų4881.1 Ų81.140%0.39741%0.412SS..Hα-helixtrans-68.1-20.9177.200000113.6D116 R141D116-A118 PolarHBondContact O-N 2.65Å; D116-A118 WeakPolarHBondContact OD1-CB 3.47Å; D116-A118 PolarHBondContact OD1-N 2.84Å; A118-R141 PolarHBondContact O-NH1 3.02Å; A118-R141 VanDerWaalsContact O-NH1 3.1Å
119S78.8Confident88.4Confident64 Ų6479.7 Ų79.745%0.44840%0.401SS..Hα-helixtrans-80.6-2117580.30000113I115 D116 P117I115-S119 WeakPolarHBondContact CG2-OG 3.18Å; D116-S119 WeakPolarHBondContact O-CB 3.26Å; D116-S119 PolarHBondContact O-N 2.89Å; D116-S119 PolarHBondContact O-OG 3.07Å; P117-S119 PolarHBondContact O-N 2.86Å
120K79.4Confident88.1Confident93 Ų9374.3 Ų74.340%0.40439%0.392SS..Hα-helixtrans-77.7-25.8176-64.2-173.7179.4-174.30113E95 I115 P117 Q122E95-K120 VanDerWaalsContact OE1-CE 3.28Å; E95-K120 WeakPolarHBondContact OE1-CE 3.45Å; E95-K120 IonicContact OE1-NZ 3.4Å; E95-K120 PolarHBondContact OE1-NZ 2.82Å; E95-K120 IonicContact OE2-NZ 2.87Å; E95-K120 PolarHBondContact OE2-NZ 2.97Å; I115-K120 HydrophobicContact CG2-CD 4.46Å; I115-K120 HydrophobicContact CG2-CG 3.92Å; P117-K120 PolarHBondContact O-N 2.71Å; K120-Q122 PolarHBondContact O-N 2.94Å
121V83.5Confident87.9Confident55 Ų5580.5 Ų80.533%0.33342%0.416SS..SBendtrans-68.5119.6177.2-174.80000108.7R139 R141V121-R139 VanDerWaalsContact CG1-O 3.24Å; V121-R139 WeakPolarHBondContact CG1-O 3.44Å; V121-R141 HydrophobicContact CB-CB 4.37Å; V121-R141 HydrophobicContact CG1-CB 4.04Å
122Q85.7Confident88Confident143 Ų14378.3 Ų78.367%0.66840%0.402SS*.PPolyproline II helixtrans-62.9147.4176.6-64.3-61.9-55.500110.9K120 N140 R141K120-Q122 PolarHBondContact O-N 2.94Å; Q122-N140 WeakPolarHBondContact O-CB 3.28Å; Q122-R141 PolarHBondContact O-N 3.48Å
123D88.6Confident87.9Confident70 Ų7086.7 Ų86.737%0.37443%0.432SS..BIsolated β-bridgetrans-67.1140.8175.1-66.2-26.8000110.2P125 R141 V143D123-P125 WeakPolarHBondContact O-CD 3.41Å; D123-R141 WeakPolarHBondContact CA-O 3.33Å; D123-R141 IonicContact OD1-CZ 2.77Å; D123-R141 IonicContact OD1-NE 2.65Å; D123-R141 PolarHBondContact OD1-NE 3.06Å; D123-R141 IonicContact OD1-NH2 3.18Å; D123-R141 PolarHBondContact OD1-NH2 3.23Å; D123-R141 IonicContact OD2-NH2 2.71Å; D123-R141 PolarHBondContact OD2-NH2 2.98Å; D123-V143 WeakPolarHBondContact OD1-CG2 3.45Å
124C92Very high87.8Confident3 Ų388.6 Ų88.62%0.0244%0.442CS..  trans-72.9115.6-177-178.90000110.9W126 Y127 D128 C132 C138 N140 R141 H142C124-W126 PolarHBondContact O-N 3.27Å; C124-W126 VanDerWaalsContact O-N 3.13Å; C124-Y127 PolarHBondContact O-N 3.47Å; C124-Y127 PolarHBondContact SG-N 2.99Å; C124-D128 WeakPolarHBondContact O-CB 3.46Å; C124-D128 PolarHBondContact O-N 3.06Å; C124-C132 VanDerWaalsContact SG-SG 3.65Å; C124-C138 VanDerWaalsContact SG-SG 3.62Å; C124-N140 HydrophobicContact CB-CB 3.59Å; C124-R141 PolarHBondContact N-O 2.93Å; C124-H142 WeakPolarHBondContact CB-CD2 3.24Å; C124-H142 PolarHBondContact SG-NE2 3.26Å; C124-H142 VanDerWaalsContact SG-NE2 3.44Å
125P92.3Very high87.6Confident68 Ų6885.6 Ų85.644%0.44244%0.435SS..Hα-helixtrans-62.8-26-178.9-22.634.2000113.3D123 R129D123-P125 WeakPolarHBondContact O-CD 3.41Å; P125-R129 WeakPolarHBondContact O-CG 3.28Å
126W92.6Very high87.5Confident158 Ų15889.7 Ų89.760%0.59846%0.464SS*.Hα-helixtrans-77.1-46178.3-59.5107.5000112.1C124 D128 R129 G130 F131 C132C124-W126 PolarHBondContact O-N 3.27Å; C124-W126 VanDerWaalsContact O-N 3.13Å; W126-D128 VanDerWaalsContact C-N 3.25Å; W126-D128 PolarHBondContact O-N 2.91Å; W126-R129 PolarHBondContact O-N 3.21Å; W126-R129 VanDerWaalsContact O-N 3.14Å; W126-G130 PolarHBondContact O-N 2.76Å; W126-F131 CarbonylContact C-O 3.32Å; W126-F131 VanDerWaalsContact C-O 3.32Å; W126-F131 CarbonylContact O-C 3.6Å; W126-F131 PolarHBondContact O-N 3.39Å; W126-C132 HydrophobicContact CB-CB 4.19Å
127Y92.7Very high87.8Confident73 Ų7393.2 Ų93.229%0.28648%0.482SS..Hα-helixtrans-65.1-34.6176.9-169-99.2000111.5C124 R129 G130 C132 H142 V143C124-Y127 PolarHBondContact O-N 3.47Å; C124-Y127 PolarHBondContact SG-N 2.99Å; Y127-R129 PolarHBondContact O-N 3.1Å; Y127-G130 WeakPolarHBondContact O-CA 3.35Å; Y127-G130 PolarHBondContact O-N 3.29Å; Y127-C132 HydrophobicContact CD2-CB 4.31Å; Y127-H142 WeakPolarHBondContact CB-CD2 3.35Å; Y127-H142 HydrophobicContact CD1-CB 3.63Å; Y127-H142 AromaticContact CD1-CG 3.94Å; Y127-H142 HydrophobicContact CD2-CB 4.02Å; Y127-H142 AromaticContact CD2-CE1 3.91Å; Y127-H142 AromaticContact CD2-CG 3.62Å; Y127-H142 AromaticContact CD2-ND1 3.55Å; Y127-H142 HydrophobicContact CE1-CB 3.8Å; Y127-H142 HydrophobicContact CE2-CB 4.19Å; Y127-H142 AromaticContact CE2-ND1 4Å; Y127-H142 HydrophobicContact CG-CB 3.74Å; Y127-H142 AromaticContact CG-CD2 3.63Å; Y127-H142 AromaticContact CG-CG 3.49Å; Y127-H142 VanDerWaalsContact CG-CG 3.49Å; Y127-H142 AromaticContact CG-ND1 3.92Å; Y127-V143 WeakPolarHBondContact CE1-O 3.39Å
128D88.5Confident88.3Confident73 Ų7391.1 Ų91.139%0.3947%0.469SS..Hα-helixtrans-61.7-29.1175.7-156.654.1000112.7C124 W126 G130 R145C124-D128 WeakPolarHBondContact O-CB 3.46Å; C124-D128 PolarHBondContact O-N 3.06Å; W126-D128 VanDerWaalsContact C-N 3.25Å; W126-D128 PolarHBondContact O-N 2.91Å; D128-G130 VanDerWaalsContact C-N 3.27Å; D128-G130 PolarHBondContact O-N 3.44Å; D128-R145 IonicContact OD1-CZ 3.04Å; D128-R145 IonicContact OD1-NE 2.76Å; D128-R145 PolarHBondContact OD1-NE 2.69Å; D128-R145 IonicContact OD1-NH2 2.69Å; D128-R145 PolarHBondContact OD1-NH2 3.23Å; D128-R145 IonicContact OD2-CZ 3.66Å; D128-R145 IonicContact OD2-NH2 2.88Å; D128-R145 PolarHBondContact OD2-NH2 3.34Å
129R87.3Confident88.9Confident181 Ų18199.6 Ų99.668%0.68349%0.491SS*.THydrogen-bonded Turntrans-82-0.5171.4-64.2177.1-163.1152.82.9114P125 W126 Y127P125-R129 WeakPolarHBondContact O-CG 3.28Å; W126-R129 PolarHBondContact O-N 3.21Å; W126-R129 VanDerWaalsContact O-N 3.14Å; Y127-R129 PolarHBondContact O-N 3.1Å
130G87.9Confident89.5Confident60 Ų6099.3 Ų99.362%0.61948%0.484SS*.THydrogen-bonded Turntrans118.7-26.6173.600000115.2W126 Y127 D128W126-G130 PolarHBondContact O-N 2.76Å; Y127-G130 WeakPolarHBondContact O-CA 3.35Å; Y127-G130 PolarHBondContact O-N 3.29Å; D128-G130 VanDerWaalsContact C-N 3.27Å; D128-G130 PolarHBondContact O-N 3.44Å
131F90Very high89.9Confident155 Ų15599.3 Ų99.368%0.6848%0.482SS*.  trans-151.1133.6-179-179-99.2000112.7W126 R133W126-F131 CarbonylContact C-O 3.32Å; W126-F131 VanDerWaalsContact C-O 3.32Å; W126-F131 CarbonylContact O-C 3.6Å; W126-F131 PolarHBondContact O-N 3.39Å; F131-R133 HydrophobicContact CE1-CB 4.4Å
132C94Very high90.2Very high4 Ų499.3 Ų99.33%0.02748%0.478CS..  trans-111.9124.2171.1-179.30000110.5C124 W126 Y127 N134 G135 C138 H142C124-C132 VanDerWaalsContact SG-SG 3.65Å; W126-C132 HydrophobicContact CB-CB 4.19Å; Y127-C132 HydrophobicContact CD2-CB 4.31Å; C132-N134 PolarHBondContact O-N 2.77Å; C132-G135 PolarHBondContact O-N 3.22Å; C132-C138 VanDerWaalsContact SG-SG 3.67Å; C132-H142 WeakPolarHBondContact CB-CE1 3.46Å; C132-H142 VanDerWaalsContact CB-NE2 3.32Å; C132-H142 WeakPolarHBondContact CB-NE2 3.21Å; C132-H142 PolarHBondContact SG-NE2 2.89Å
133R94.1Very high90.3Very high229 Ų22995.5 Ų95.586%0.86446%0.464SS*.THydrogen-bonded Turntrans-59.6-27.4178.6-170.6177.8-172.9-106.72.6113.7F131 G135F131-R133 HydrophobicContact CE1-CB 4.4Å; R133-G135 PolarHBondContact O-N 3.2Å
134N92.3Very high90.2Very high96 Ų96102 Ų10251%0.51348%0.484SS..THydrogen-bonded Turntrans-77.6-9.6179.3-61-18.8000112.7C132 L137 C138C132-N134 PolarHBondContact O-N 2.77Å; N134-L137 PolarHBondContact O-N 3.47Å; N134-L137 VanDerWaalsContact O-N 3.13Å; N134-C138 HydrophobicContact CB-CB 3.9Å
135G89.1Confident89.8Confident23 Ų23107.3 Ų107.324%0.23750%0.503CS..G310 helixtrans53.1-139.1179.400000112.5C132 R133 L137 C138 H142C132-G135 PolarHBondContact O-N 3.22Å; R133-G135 PolarHBondContact O-N 3.2Å; G135-L137 PolarHBondContact O-N 2.89Å; G135-C138 WeakPolarHBondContact O-CB 3.2Å; G135-C138 PolarHBondContact O-N 3.42Å; G135-H142 PolarHBondContact O-CE1 2.95Å
136P89.1Confident89.4Confident133 Ų133108.6 Ų108.686%0.86451%0.51SS*.G310 helixtrans-69.1-10.4-178.929.7-35.1000114C138P136-C138 VanDerWaalsContact C-N 3.3Å
137L90.6Very high89.1Confident161 Ų161103.9 Ų103.984%0.84350%0.504SS*.G310 helixtrans-90.36.3177.6-58.4175.7000112.6N134 G135 R139N134-L137 PolarHBondContact O-N 3.47Å; N134-L137 VanDerWaalsContact O-N 3.13Å; G135-L137 PolarHBondContact O-N 2.89Å; L137-R139 PolarHBondContact O-N 3.27Å
138C90.2Very high89Confident23 Ų23101 Ų10116%0.15550%0.495CS..  trans-64.1133.4176.4-168.60000111.1C124 C132 N134 G135 P136 N140 H142C124-C138 VanDerWaalsContact SG-SG 3.62Å; C132-C138 VanDerWaalsContact SG-SG 3.67Å; N134-C138 HydrophobicContact CB-CB 3.9Å; G135-C138 WeakPolarHBondContact O-CB 3.2Å; G135-C138 PolarHBondContact O-N 3.42Å; P136-C138 VanDerWaalsContact C-N 3.3Å; C138-N140 PolarHBondContact O-N 3.24Å; C138-N140 PolarHBondContact SG-N 3.33Å; C138-H142 VanDerWaalsContact CB-CE1 3.45Å; C138-H142 WeakPolarHBondContact CB-CE1 3.49Å; C138-H142 WeakPolarHBondContact CB-NE2 3.36Å; C138-H142 PolarHBondContact SG-NE2 3.35Å; C138-H142 VanDerWaalsContact SG-NE2 3.37Å
139R89.1Confident89.2Confident227 Ų227105.3 Ų105.386%0.85751%0.51SS*.SBendtrans-66-27.5174.3-179177.9174.7-170.8-1.2112.9V121 L137V121-R139 VanDerWaalsContact CG1-O 3.24Å; V121-R139 WeakPolarHBondContact CG1-O 3.44Å; L137-R139 PolarHBondContact O-N 3.27Å
140N89.4Confident89.4Confident57 Ų57100.7 Ų100.731%0.30550%0.499SS..SBendtrans-91.7152.4-177.5-68.7-1.8000110.8Q122 C124 C138 H142Q122-N140 WeakPolarHBondContact O-CB 3.28Å; C124-N140 HydrophobicContact CB-CB 3.59Å; C138-N140 PolarHBondContact O-N 3.24Å; C138-N140 PolarHBondContact SG-N 3.33Å; N140-H142 PolarHBondContact O-N 3.44Å
141R88.1Confident89.5Confident94 Ų94105.8 Ų105.836%0.35550%0.501SS..BIsolated β-bridgetrans-71128.9-176.4-172.5174.163.3-174.93110.4A118 V121 Q122 D123 C124 V143A118-R141 PolarHBondContact O-NH1 3.02Å; A118-R141 VanDerWaalsContact O-NH1 3.1Å; V121-R141 HydrophobicContact CB-CB 4.37Å; V121-R141 HydrophobicContact CG1-CB 4.04Å; Q122-R141 PolarHBondContact O-N 3.48Å; D123-R141 WeakPolarHBondContact CA-O 3.33Å; D123-R141 IonicContact OD1-CZ 2.77Å; D123-R141 IonicContact OD1-NE 2.65Å; D123-R141 PolarHBondContact OD1-NE 3.06Å; D123-R141 IonicContact OD1-NH2 3.18Å; D123-R141 PolarHBondContact OD1-NH2 3.23Å; D123-R141 IonicContact OD2-NH2 2.71Å; D123-R141 PolarHBondContact OD2-NH2 2.98Å; C124-R141 PolarHBondContact N-O 2.93Å; R141-V143 HydrophobicContact CG-CG2 4.1Å
142H91.1Very high89.5Confident55 Ų55103.8 Ų103.826%0.25550%0.496SS..  trans-93.5100.6173.5-72.5179.2000109.3C124 Y127 C132 G135 C138 N140C124-H142 WeakPolarHBondContact CB-CD2 3.24Å; C124-H142 PolarHBondContact SG-NE2 3.26Å; C124-H142 VanDerWaalsContact SG-NE2 3.44Å; Y127-H142 WeakPolarHBondContact CB-CD2 3.35Å; Y127-H142 HydrophobicContact CD1-CB 3.63Å; Y127-H142 AromaticContact CD1-CG 3.94Å; Y127-H142 HydrophobicContact CD2-CB 4.02Å; Y127-H142 AromaticContact CD2-CE1 3.91Å; Y127-H142 AromaticContact CD2-CG 3.62Å; Y127-H142 AromaticContact CD2-ND1 3.55Å; Y127-H142 HydrophobicContact CE1-CB 3.8Å; Y127-H142 HydrophobicContact CE2-CB 4.19Å; Y127-H142 AromaticContact CE2-ND1 4Å; Y127-H142 HydrophobicContact CG-CB 3.74Å; Y127-H142 AromaticContact CG-CD2 3.63Å; Y127-H142 AromaticContact CG-CG 3.49Å; Y127-H142 VanDerWaalsContact CG-CG 3.49Å; Y127-H142 AromaticContact CG-ND1 3.92Å; C132-H142 WeakPolarHBondContact CB-CE1 3.46Å; C132-H142 VanDerWaalsContact CB-NE2 3.32Å; C132-H142 WeakPolarHBondContact CB-NE2 3.21Å; C132-H142 PolarHBondContact SG-NE2 2.89Å; G135-H142 PolarHBondContact O-CE1 2.95Å; C138-H142 VanDerWaalsContact CB-CE1 3.45Å; C138-H142 WeakPolarHBondContact CB-CE1 3.49Å; C138-H142 WeakPolarHBondContact CB-NE2 3.36Å; C138-H142 PolarHBondContact SG-NE2 3.35Å; C138-H142 VanDerWaalsContact SG-NE2 3.37Å; N140-H142 PolarHBondContact O-N 3.44Å
143V87.7Confident89.4Confident63 Ų63110 Ų11038%0.38253%0.528SS..  trans-90.9111.8177.1-178.10000109.1D123 Y127 R141 R145D123-V143 WeakPolarHBondContact OD1-CG2 3.45Å; Y127-V143 WeakPolarHBondContact CE1-O 3.39Å; R141-V143 HydrophobicContact CG-CG2 4.1Å; V143-R145 PolarHBondContact O-N 2.87Å
144R86Confident89.3Confident207 Ų207102.1 Ų102.178%0.78152%0.519SS*.  trans-74.9111.1177.1-174.9178.2178.2165.90.5110
145R82.5Confident89.3Confident113 Ų113104.8 Ų104.843%0.42653%0.526SS..  trans-75.4138.2173.1-62.1179.4177.6-154.2-2.4110.5D128 V143D128-R145 IonicContact OD1-CZ 3.04Å; D128-R145 IonicContact OD1-NE 2.76Å; D128-R145 PolarHBondContact OD1-NE 2.69Å; D128-R145 IonicContact OD1-NH2 2.69Å; D128-R145 PolarHBondContact OD1-NH2 3.23Å; D128-R145 IonicContact OD2-CZ 3.66Å; D128-R145 IonicContact OD2-NH2 2.88Å; D128-R145 PolarHBondContact OD2-NH2 3.34Å; V143-R145 PolarHBondContact O-N 2.87Å
146V85.2Confident89.5Confident96 Ų96104.2 Ų104.258%0.58252%0.518SS*.  trans-100.7114.6175.7179.60000108.1
147A86Confident89.7Confident59 Ų59102.6 Ų102.649%0.48851%0.508SS..  trans-66.5143176.200000111.2K149 I152A147-K149 PolarHBondContact O-N 2.88Å; A147-I152 HydrophobicContact CB-CD1 3.65Å; A147-I152 HydrophobicContact CB-CG1 4.07Å
148C90.9Very high89.7Confident13 Ų13101 Ų1019%0.08849%0.494CS..  trans-62.3118.6179.1-179.80000110.7N150 Y151 I152 Y164C148-N150 VanDerWaalsContact C-N 3.28Å; C148-N150 PolarHBondContact O-N 3.49Å; C148-Y151 WeakPolarHBondContact O-CB 3.32Å; C148-Y151 PolarHBondContact O-N 3.39Å; C148-I152 WeakPolarHBondContact O-CG1 3.44Å; C148-I152 PolarHBondContact O-N 3.37Å; C148-Y164 HydrophobicContact CB-CD2 4.15Å; C148-Y164 HydrophobicContact CB-CG 4.43Å
149K92.3Very high89.6Confident163 Ų163102.2 Ų102.271%0.70951%0.51SS*.Hα-helixtrans-53.8-42.1177.5-68.5-174.4179.6-177.20113.1A147 Y151 I152 N153A147-K149 PolarHBondContact O-N 2.88Å; K149-Y151 VanDerWaalsContact C-N 3.35Å; K149-Y151 PolarHBondContact O-N 3.27Å; K149-I152 PolarHBondContact O-N 3.08Å; K149-N153 WeakPolarHBondContact O-CB 3.38Å; K149-N153 PolarHBondContact O-N 3.44Å; K149-N153 PolarHBondContact O-ND2 3.13Å; K149-N153 PolarHBondContact O-OD1 2.99Å
150N91.6Very high89.6Confident83 Ų83103 Ų10344%0.44451%0.513SS..Hα-helixtrans-66-39179.3-64.8-2.4000111.8C148 N153 G154 F155 C156C148-N150 VanDerWaalsContact C-N 3.28Å; C148-N150 PolarHBondContact O-N 3.49Å; N150-N153 CarbonylContact O-C 3.47Å; N150-N153 PolarHBondContact O-N 3.5Å; N150-G154 PolarHBondContact O-N 3.49Å; N150-F155 CarbonylContact C-O 3.27Å; N150-F155 WeakPolarHBondContact CB-O 3.25Å; N150-F155 CarbonylContact O-C 3.58Å; N150-F155 VanDerWaalsContact O-C 3.27Å; N150-F155 PolarHBondContact O-N 3.47Å; N150-C156 HydrophobicContact CB-CB 4.2Å
151Y90.4Very high89.7Confident168 Ų168108.7 Ų108.766%0.65954%0.538SS*.Hα-helixtrans-65.6-43.8175.6-176.6-104.3000111.4C148 K149 N153 G154C148-Y151 WeakPolarHBondContact O-CB 3.32Å; C148-Y151 PolarHBondContact O-N 3.39Å; K149-Y151 VanDerWaalsContact C-N 3.35Å; K149-Y151 PolarHBondContact O-N 3.27Å; Y151-N153 PolarHBondContact O-N 3.24Å; Y151-G154 PolarHBondContact O-N 2.86Å
152I90Very high89.9Confident112 Ų112104.8 Ų104.857%0.57453%0.525SS*.Hα-helixtrans-60.1-37174.1-61.5167.8000110.8A147 C148 K149 G154A147-I152 HydrophobicContact CB-CD1 3.65Å; A147-I152 HydrophobicContact CB-CG1 4.07Å; C148-I152 WeakPolarHBondContact O-CG1 3.44Å; C148-I152 PolarHBondContact O-N 3.37Å; K149-I152 PolarHBondContact O-N 3.08Å; I152-G154 PolarHBondContact O-N 3.5Å
153N91.9Very high89.7Confident134 Ų134109.4 Ų109.472%0.71754%0.544SS*.THydrogen-bonded Turntrans-78.88.2176.1-65.7-8.8000113.6K149 N150 Y151K149-N153 WeakPolarHBondContact O-CB 3.38Å; K149-N153 PolarHBondContact O-N 3.44Å; K149-N153 PolarHBondContact O-ND2 3.13Å; K149-N153 PolarHBondContact O-OD1 2.99Å; N150-N153 CarbonylContact O-C 3.47Å; N150-N153 PolarHBondContact O-N 3.5Å; Y151-N153 PolarHBondContact O-N 3.24Å
154G91.4Very high89.7Confident64 Ų64111.1 Ų111.166%0.6654%0.544SS*.THydrogen-bonded Turntrans112.2-25.4169.200000115.7N150 Y151 I152N150-G154 PolarHBondContact O-N 3.49Å; Y151-G154 PolarHBondContact O-N 2.86Å; I152-G154 PolarHBondContact O-N 3.5Å
155F92.2Very high89.1Confident153 Ų153103.6 Ų103.667%0.67153%0.526SS*.  trans-157.9127.9-179.4179.1-104.9000112.6N150 P157N150-F155 CarbonylContact C-O 3.27Å; N150-F155 WeakPolarHBondContact CB-O 3.25Å; N150-F155 CarbonylContact O-C 3.58Å; N150-F155 VanDerWaalsContact O-C 3.27Å; N150-F155 PolarHBondContact O-N 3.47Å; F155-P157 HydrophobicContact CE1-CB 3.95Å
156C93.5Very high88.4Confident11 Ų11106.9 Ų106.97%0.07455%0.546CS..  trans-106.6116.9169.9-171.50000110N150 K158 G159 C162N150-C156 HydrophobicContact CB-CB 4.2Å; C156-K158 PolarHBondContact O-N 3.14Å; C156-G159 PolarHBondContact O-N 3.28Å; C156-C162 VanDerWaalsContact SG-SG 3.62Å
157P92.6Very high88.5Confident98 Ų98107.4 Ų107.464%0.63655%0.545SS*.THydrogen-bonded Turntrans-63.2-17.7-179.324.9-34.2000113.6F155F155-P157 HydrophobicContact CE1-CB 3.95Å
158K91.4Very high88.7Confident129 Ų129109.9 Ų109.956%0.56155%0.548SS*.THydrogen-bonded Turntrans-82.4-12176.5-60.6-169.3175.3-165.10113.7C156 R160 E161 C162C156-K158 PolarHBondContact O-N 3.14Å; K158-R160 PolarHBondContact O-N 3.41Å; K158-E161 WeakPolarHBondContact O-CA 3.33Å; K158-E161 WeakPolarHBondContact O-CB 3.43Å; K158-E161 PolarHBondContact O-N 3.38Å; K158-C162 HydrophobicContact CB-CB 3.94Å
159G88Confident88.5Confident47 Ų47115.3 Ų115.349%0.48557%0.573SS.*G310 helixtrans48.8-126-178.100000113C156 E161 C162C156-G159 PolarHBondContact O-N 3.28Å; G159-E161 PolarHBondContact O-N 3.2Å; G159-C162 WeakPolarHBondContact O-CB 3.39Å; G159-C162 PolarHBondContact O-N 3.46Å
160R89.9Confident88.3Confident245 Ų245112.5 Ų112.593%0.92557%0.565SS**G310 helixtrans-69.5-18.3178.9-63.4-176.1-179.6-168.5-0.2113.9K158 C162K158-R160 PolarHBondContact O-N 3.41Å; R160-C162 PolarHBondContact O-N 3.26Å
161E91.7Very high88.1Confident176 Ų176114.4 Ų114.482%0.82257%0.573SS**G310 helixtrans-86.65.1177-56.3-179.8171.800112.2K158 G159 K163K158-E161 WeakPolarHBondContact O-CA 3.33Å; K158-E161 WeakPolarHBondContact O-CB 3.43Å; K158-E161 PolarHBondContact O-N 3.38Å; G159-E161 PolarHBondContact O-N 3.2Å; E161-K163 PolarHBondContact O-N 3.13Å
162C90.5Very high88Confident12 Ų12110.8 Ų110.88%0.08157%0.567CS.*  trans-65.3134.6175.3-1690000110.1C156 K158 G159 R160 Y164 A165C156-C162 VanDerWaalsContact SG-SG 3.62Å; K158-C162 HydrophobicContact CB-CB 3.94Å; G159-C162 WeakPolarHBondContact O-CB 3.39Å; G159-C162 PolarHBondContact O-N 3.46Å; R160-C162 PolarHBondContact O-N 3.26Å; C162-Y164 PolarHBondContact O-N 3.41Å; C162-A165 HydrophobicContact CB-CB 3.82Å; C162-A165 VanDerWaalsContact O-CB 3.28Å; C162-A165 WeakPolarHBondContact O-CB 3.41Å; C162-A165 PolarHBondContact O-N 3.19Å
163K88.6Confident87.8Confident152 Ų152110.7 Ų110.766%0.66157%0.567SS**THydrogen-bonded Turntrans-57.1-14.6172.759.5169.8168.1163.40114.8E161E161-K163 PolarHBondContact O-N 3.13Å
164Y87Confident87.5Confident98 Ų98108.9 Ų108.938%0.38456%0.555SS.*THydrogen-bonded Turntrans-114.36.5176.6-52.5-62.8000112.1C148 C162 Q166C148-Y164 HydrophobicContact CB-CD2 4.15Å; C148-Y164 HydrophobicContact CB-CG 4.43Å; C162-Y164 PolarHBondContact O-N 3.41Å; Y164-Q166 PolarHBondContact O-N 3.01Å
165A74.5Confident87.2Confident49 Ų49112.7 Ų112.741%0.40555%0.546SS..  trans-75103.1169.200000106.8C162C162-A165 HydrophobicContact CB-CB 3.82Å; C162-A165 VanDerWaalsContact O-CB 3.28Å; C162-A165 WeakPolarHBondContact O-CB 3.41Å; C162-A165 PolarHBondContact O-N 3.19Å
166Q66.1Low86.7Confident182 Ų182109 Ų10985%0.8554%0.535SS*.  trans-137.80173.5-64.5-173.3-20.800109.2Y164Y164-Q166 PolarHBondContact O-N 3.01Å

Retrieved 166 of 166 residues in 41.9 ms (Link to these results)

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