A0A077ZL08_TRITR Loading...

Uridine kinase

AlphaFold DB , UniProt , Accession A0A077ZL08, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 217 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M37.1Very low43.2Very low234 Ų234149.3 Ų149.3100%1.15375%0.745SS**  0131.70-88.1158.756.200109.2
2K31.1Very low46.5Very low173 Ų173146.3 Ų146.375%0.75273%0.733SS**  trans-85.3133.3169.8-72.2178.6176.21790108
3N36.3Very low49.8Very low95 Ų95144.1 Ų144.151%0.50872%0.716SS.*  trans-86.6167.1169.969.119.2000110.7R5 G6 F7N3-R5 PolarHBondContact O-N 3.04Å; N3-R5 PolarHBondContact OD1-N 3.19Å; N3-G6 PolarHBondContact O-N 3.32Å; N3-F7 PolarHBondContact OD1-O 3.07Å
4E42.9Very low53.1Low206 Ų206133.8 Ų133.896%0.96367%0.665SS**THydrogen-bonded Turntrans-62.2-0.2-172-62.9-176.4160.500115.3
5R44.4Very low55.9Low224 Ų224126.4 Ų126.485%0.84563%0.629SS**THydrogen-bonded Turntrans-114.414.9174.8-59.9-168.5-156.9179.47.5114.4N3 F7N3-R5 PolarHBondContact O-N 3.04Å; N3-R5 PolarHBondContact OD1-N 3.19Å; R5-F7 PolarHBondContact O-N 3.02Å
6G37.7Very low58.6Low62 Ų62118.5 Ų118.564%0.63959%0.589SS**SBendtrans69.25.6172.400000115N3 T8N3-G6 PolarHBondContact O-N 3.32Å; G6-T8 PolarHBondContact O-N 3.45Å
7F39.2Very low60.9Low159 Ų159111.5 Ų111.570%0.69756%0.555SS**  trans-81.5113.1169.6-89.7-97.4000108.6N3 R5 C9N3-F7 PolarHBondContact OD1-O 3.07Å; R5-F7 PolarHBondContact O-N 3.02Å; F7-C9 PolarHBondContact O-N 3.34Å
8T43.4Very low63Low92 Ų92105.3 Ų105.356%0.56452%0.524SS*.  trans-60.7117.5157.440.40000106.9G6 M10G6-T8 PolarHBondContact O-N 3.45Å; T8-M10 PolarHBondContact O-N 3.47Å
9C45.5Very low64.9Low104 Ų10499.8 Ų99.870%0.70350%0.496SS*.  trans-52.3111.4164.5-169.50000106.1F7 K11F7-C9 PolarHBondContact O-N 3.34Å; C9-K11 PolarHBondContact O-N 2.78Å
10M50.9Low66.6Low170 Ų17094.8 Ų94.884%0.83747%0.472SS*.  trans-65106.7175-77.5-165.1-72.300105.3T8 N12T8-M10 PolarHBondContact O-N 3.47Å; M10-N12 PolarHBondContact O-N 2.82Å
11K66.6Low68.1Low123 Ų12390.3 Ų90.354%0.53545%0.449SS..PPolyproline II helixtrans-56.5137.7171.5-73.5-166.1171.3-157.50108C9 Y89 E115C9-K11 PolarHBondContact O-N 2.78Å; K11-Y89 HydrophobicContact CB-CD2 4.24Å; K11-Y89 HydrophobicContact CB-CE2 3.43Å; K11-Y89 VanDerWaalsContact CB-CE2 3.43Å; K11-Y89 HydrophobicContact CD-CD1 4.24Å; K11-Y89 HydrophobicContact CD-CE1 3.73Å; K11-Y89 HydrophobicContact CD-CE2 4.03Å; K11-Y89 HydrophobicContact CG-CE2 4.38Å; K11-E115 IonicContact NZ-OE1 3.63Å
12N82.4Confident70.9Confident113 Ų11379.2 Ų79.260%0.60440%0.395SS*.PPolyproline II helixtrans-55.1144.4173.1-71.7-29.2000109.3M10 Y89M10-N12 PolarHBondContact O-N 2.82Å; N12-Y89 WeakPolarHBondContact O-CE2 3.39Å; N12-Y89 PolarHBondContact O-OH 3.21Å
13K90.1Very high74.1Confident118 Ų11871.8 Ų71.851%0.51337%0.365SS..PPolyproline II helixtrans-55.1133.4174.8-177.3-166.6168.1-159.90108.5
14P95.6Very high76.9Confident0 Ų067.8 Ų67.80%035%0.346CS..PPolyproline II helixtrans-52.9143.7172.6-31.239.3000112.7T87 Y89 K114 E115 I117P14-T87 HydrophobicContact CB-CG2 4.32Å; P14-T87 VanDerWaalsContact CD-O 3.3Å; P14-T87 WeakPolarHBondContact CD-O 3.37Å; P14-Y89 HydrophobicContact CG-CD2 4.48Å; P14-Y89 HydrophobicContact CG-CE1 4.12Å; P14-Y89 HydrophobicContact CG-CE2 3.96Å; P14-K114 VanDerWaalsContact CB-O 3.24Å; P14-K114 WeakPolarHBondContact CB-O 3.44Å; P14-K114 VanDerWaalsContact CG-O 3.24Å; P14-K114 WeakPolarHBondContact CG-O 3.31Å; P14-E115 CarbonylContact C-O 3.57Å; P14-E115 VanDerWaalsContact CA-O 3.24Å; P14-E115 WeakPolarHBondContact CA-O 3.43Å; P14-I117 HydrophobicContact CB-CD1 4.15Å
15I95.8Very high79.5Confident23 Ų2358 Ų5812%0.11830%0.301CS..EExtended strand (participates in β ladder)trans-94.8132.5178.3-66.1-175.4000109.6I17 E115 V116 I117 D135 F213I15-I17 HydrophobicContact CG2-CG1 4.28Å; I15-E115 PolarHBondContact N-O 3.27Å; I15-V116 WeakPolarHBondContact O-CA 3.3Å; I15-I117 PolarHBondContact O-N 2.79Å; I15-D135 WeakPolarHBondContact CA-OD2 3.49Å; I15-D135 HydrophobicContact CG2-CB 3.92Å; I15-F213 HydrophobicContact CD1-CB 3.2Å; I15-F213 HydrophobicContact CD1-CD1 3.22Å; I15-F213 HydrophobicContact CD1-CD2 3.41Å; I15-F213 VanDerWaalsContact CD1-CD2 3.41Å; I15-F213 HydrophobicContact CD1-CE1 3.76Å; I15-F213 HydrophobicContact CD1-CE2 3.93Å; I15-F213 HydrophobicContact CD1-CG 3Å; I15-F213 HydrophobicContact CD1-CZ 4.07Å; I15-F213 HydrophobicContact CG2-CD2 4.47Å; I15-F213 HydrophobicContact CG2-CE2 4.5Å
16I98.2Very high82Confident0 Ų048.1 Ų48.10%027%0.268CS..EExtended strand (participates in β ladder)trans-107.6119.8179.7-59.7170.4000109.3L83 T87 I117 L119 L133 M134 D135 I136I16-L83 HydrophobicContact CD1-CB 4.39Å; I16-L83 HydrophobicContact CD1-CD2 4.12Å; I16-T87 HydrophobicContact CD1-CG2 3.62Å; I16-T87 HydrophobicContact CG1-CG2 4.23Å; I16-I117 WeakPolarHBondContact CA-O 3.39Å; I16-I117 HydrophobicContact CG1-CB 4.22Å; I16-I117 HydrophobicContact CG1-CD1 4.12Å; I16-L119 HydrophobicContact CG2-CB 4.39Å; I16-L133 HydrophobicContact CD1-CB 4.23Å; I16-L133 WeakPolarHBondContact CD1-O 3.3Å; I16-M134 HydrophobicContact CG2-CB 4.4Å; I16-M134 HydrophobicContact CG2-CG 3.96Å; I16-D135 PolarHBondContact N-OD2 3.27Å; I16-D135 PolarHBondContact O-N 3.45Å; I16-I136 PolarHBondContact O-N 2.86Å
17I98.4Very high84.9Confident0 Ų045.8 Ų45.80%024%0.24CC..EExtended strand (participates in β ladder)trans-108.2110.2175.7-54.1169.7000107.6I15 V19 V116 I117 I118 L119 I136 I138 V210I15-I17 HydrophobicContact CG2-CG1 4.28Å; I17-V19 HydrophobicContact CG2-CG2 4.23Å; I17-V116 HydrophobicContact CD1-CG1 3.71Å; I17-V116 HydrophobicContact CG1-CG1 4.42Å; I17-I117 PolarHBondContact N-O 2.91Å; I17-I118 CarbonylContact O-C 3.6Å; I17-I118 WeakPolarHBondContact O-CA 3.33Å; I17-L119 PolarHBondContact O-N 2.84Å; I17-I136 CarbonylContact C-O 3.55Å; I17-I136 WeakPolarHBondContact CA-O 3.41Å; I17-I136 HydrophobicContact CG1-CB 4.39Å; I17-I136 HydrophobicContact CG1-CD1 4.28Å; I17-I136 HydrophobicContact CG2-CB 4.27Å; I17-I136 HydrophobicContact CG2-CG2 4.42Å; I17-I138 HydrophobicContact CG2-CD1 3.69Å; I17-V210 HydrophobicContact CD1-CG1 4.44Å; I17-V210 HydrophobicContact CD1-CG2 3.31Å
18G98.7Very high87.6Confident0 Ų039.7 Ų39.70%022%0.216CC..EExtended strand (participates in β ladder)trans-82.4125.117200000111.3L119 M134 I136 I138G18-L119 CarbonylContact C-O 3.59Å; G18-L119 WeakPolarHBondContact CA-O 3.2Å; G18-M134 VanDerWaalsContact CA-SD 3.58Å; G18-I136 PolarHBondContact N-O 2.85Å; G18-I138 PolarHBondContact O-N 2.97Å
19V98.7Very high90.2Very high0 Ų038.3 Ų38.30%021%0.21CC..EExtended strand (participates in β ladder)trans-117.4102.7172.8-169.40000109.5I17 K27 V30 I118 L119 E120 G121 I138 V140I17-V19 HydrophobicContact CG2-CG2 4.23Å; V19-K27 HydrophobicContact CG1-CB 4.06Å; V19-V30 HydrophobicContact CG1-CB 4.39Å; V19-V30 HydrophobicContact CG1-CG1 4.26Å; V19-I118 HydrophobicContact CG2-CG2 3.84Å; V19-L119 PolarHBondContact N-O 3.02Å; V19-E120 HydrophobicContact CB-CB 4.45Å; V19-E120 WeakPolarHBondContact O-CA 3.42Å; V19-G121 PolarHBondContact O-N 3.49Å; V19-I138 HydrophobicContact CG1-CG2 4.45Å; V19-I138 HydrophobicContact CG2-CD1 4.28Å; V19-V140 HydrophobicContact CG1-CG2 3.91Å
20T98.6Very high92.7Very high0 Ų033.3 Ų33.30%018%0.177CC..EExtended strand (participates in β ladder)trans-108.5174.4178-165.60000111.8G121 I122 L125 I138 Y139 V140T20-G121 WeakPolarHBondContact CA-O 3.4Å; T20-G121 PolarHBondContact OG1-O 3.49Å; T20-G121 VanDerWaalsContact OG1-O 3.09Å; T20-I122 PolarHBondContact OG1-O 3.05Å; T20-L125 HydrophobicContact CG2-CB 4.46Å; T20-L125 HydrophobicContact CG2-CD1 3.42Å; T20-L125 VanDerWaalsContact CG2-CD1 3.42Å; T20-L125 HydrophobicContact CG2-CG 3.65Å; T20-I138 WeakPolarHBondContact CG2-O 3.18Å; T20-I138 PolarHBondContact N-O 3.04Å; T20-Y139 HydrophobicContact CG2-CD2 3.52Å; T20-Y139 HydrophobicContact CG2-CE2 4.25Å; T20-Y139 HydrophobicContact CG2-CG 4.16Å; T20-V140 PolarHBondContact O-N 2.9Å
21G97.8Very high94.9Very high0 Ų025.2 Ų25.20%014%0.137CC..  trans154156177.600000109.5
22G97.3Very high96.4Very high1 Ų125.7 Ų25.71%0.0114%0.135CC..SBendtrans-60.1160.9179.200000113G24 S25G22-G24 PolarHBondContact O-N 3.07Å; G22-S25 WeakPolarHBondContact O-CB 3.48Å; G22-S25 PolarHBondContact O-N 3.32Å; G22-S25 PolarHBondContact O-OG 3.02Å
23S96.9Very high97.1Very high17 Ų1721.6 Ų21.612%0.11912%0.117CC..THydrogen-bonded Turntrans-51.8130.4174.9-157.70000110.4S25 R147S23-S25 VanDerWaalsContact C-N 3.34Å; S23-S25 PolarHBondContact O-N 3.23Å; S23-R147 WeakPolarHBondContact O-CB 3.45Å
24G96.2Very high97.4Very high12 Ų1216 Ų1612%0.1249%0.093CC..THydrogen-bonded Turntrans80.8-0.2-17700000116.3G22 G26 R150G22-G24 PolarHBondContact O-N 3.07Å; G24-G26 PolarHBondContact O-N 3.4Å; G24-R150 WeakPolarHBondContact O-CD 3.37Å; G24-R150 PolarHBondContact O-NH1 3.46Å
25S97.1Very high97.4Very high1 Ų120.4 Ų20.41%0.00711%0.11CC..SBendtrans-63-25.1177.854.20000114.2G22 S23 K27 V140 T142 R150G22-S25 WeakPolarHBondContact O-CB 3.48Å; G22-S25 PolarHBondContact O-N 3.32Å; G22-S25 PolarHBondContact O-OG 3.02Å; S23-S25 VanDerWaalsContact C-N 3.34Å; S23-S25 PolarHBondContact O-N 3.23Å; S25-K27 PolarHBondContact OG-N 3.24Å; S25-V140 WeakPolarHBondContact CB-O 3.43Å; S25-V140 WeakPolarHBondContact O-CG1 3.25Å; S25-T142 PolarHBondContact O-OG1 3.46Å; S25-R150 PolarHBondContact O-NH1 2.94Å
26G97Very high97.4Very high15 Ų1524.6 Ų24.616%0.15513%0.133CC..  trans92.615.9-173.400000113.9G24 T28 S29 V30G24-G26 PolarHBondContact O-N 3.4Å; G26-T28 VanDerWaalsContact C-N 3.25Å; G26-T28 PolarHBondContact O-N 2.76Å; G26-S29 WeakPolarHBondContact O-CA 3.36Å; G26-S29 WeakPolarHBondContact O-CB 3.25Å; G26-S29 PolarHBondContact O-N 2.87Å; G26-V30 PolarHBondContact O-N 2.62Å
27K97.9Very high97.3Very high13 Ų1330 Ų306%0.05715%0.153CC..Hα-helixtrans-46.5-46.5170.872.3-170.1-160.7-48.90113.2V19 S25 S29 V30 S31 G121 V140V19-K27 HydrophobicContact CG1-CB 4.06Å; S25-K27 PolarHBondContact OG-N 3.24Å; K27-S29 VanDerWaalsContact C-N 3.32Å; K27-S29 PolarHBondContact O-N 2.86Å; K27-V30 PolarHBondContact O-N 2.95Å; K27-V30 VanDerWaalsContact O-N 3.15Å; K27-S31 PolarHBondContact O-N 3.01Å; K27-S31 PolarHBondContact O-OG 3.43Å; K27-G121 VanDerWaalsContact CE-C 3.45Å; K27-V140 HydrophobicContact CB-CB 4.42Å; K27-V140 HydrophobicContact CB-CG2 4.21Å
28T97.3Very high97.1Very high32 Ų3230.5 Ų30.520%0.19616%0.155CC..Hα-helixtrans-65-33.9177.5-47.60000113.2G26 R32 E120G26-T28 VanDerWaalsContact C-N 3.25Å; G26-T28 PolarHBondContact O-N 2.76Å; T28-R32 WeakPolarHBondContact O-CB 3.33Å; T28-R32 VanDerWaalsContact O-CG 3.24Å; T28-R32 WeakPolarHBondContact O-CG 3.39Å; T28-R32 PolarHBondContact O-N 3.44Å; T28-E120 VanDerWaalsContact CA-OE2 3.23Å; T28-E120 WeakPolarHBondContact CA-OE2 3.3Å; T28-E120 WeakPolarHBondContact CB-OE1 3.48Å; T28-E120 WeakPolarHBondContact CG2-OE1 3.44Å; T28-E120 PolarHBondContact OG1-OE1 2.84Å
29S97.3Very high96.7Very high62 Ų6235.5 Ų35.543%0.43419%0.188SC..Hα-helixtrans-68.6-40.3174-55.60000111.6G26 K27 A33G26-S29 WeakPolarHBondContact O-CA 3.36Å; G26-S29 WeakPolarHBondContact O-CB 3.25Å; G26-S29 PolarHBondContact O-N 2.87Å; K27-S29 VanDerWaalsContact C-N 3.32Å; K27-S29 PolarHBondContact O-N 2.86Å; S29-A33 VanDerWaalsContact O-CB 3.25Å; S29-A33 WeakPolarHBondContact O-CB 3.42Å; S29-A33 PolarHBondContact O-N 3.44Å
30V98Very high96.3Very high0 Ų042.8 Ų42.80%023%0.226CC..Hα-helixtrans-63.6-49.6174.2173.80000110.6V19 G26 K27 R32 A33 I34 V140 V193V19-V30 HydrophobicContact CG1-CB 4.39Å; V19-V30 HydrophobicContact CG1-CG1 4.26Å; G26-V30 PolarHBondContact O-N 2.62Å; K27-V30 PolarHBondContact O-N 2.95Å; K27-V30 VanDerWaalsContact O-N 3.15Å; V30-R32 VanDerWaalsContact C-N 3.34Å; V30-R32 PolarHBondContact O-N 3.21Å; V30-A33 PolarHBondContact O-N 3Å; V30-A33 VanDerWaalsContact O-N 3.17Å; V30-I34 HydrophobicContact CG1-CD1 3.84Å; V30-I34 WeakPolarHBondContact O-CG1 3.48Å; V30-I34 PolarHBondContact O-N 2.8Å; V30-V140 HydrophobicContact CB-CG2 4.1Å; V30-V140 HydrophobicContact CG1-CG2 4.37Å; V30-V140 HydrophobicContact CG2-CG1 4.27Å; V30-V140 HydrophobicContact CG2-CG2 3.81Å; V30-V193 HydrophobicContact CG2-CG1 4.29Å
31S97.9Very high95.9Very high0 Ų046.8 Ų46.80%025%0.245CC..Hα-helixtrans-54.2-49176.6-56.20000111.9K27 I34 Y35 E120K27-S31 PolarHBondContact O-N 3.01Å; K27-S31 PolarHBondContact O-OG 3.43Å; S31-I34 PolarHBondContact O-N 2.83Å; S31-Y35 WeakPolarHBondContact O-CB 3.45Å; S31-Y35 PolarHBondContact O-N 2.96Å; S31-E120 WeakPolarHBondContact CB-OE2 3.43Å; S31-E120 PolarHBondContact OG-OE2 3.36Å
32R97.5Very high95.6Very high133 Ų13348.2 Ų48.250%0.50226%0.255SS..Hα-helixtrans-64.8-40.1178-73.9174.6-178.1162.33.1112.3T28 V30 I34 Y35 N36 M45T28-R32 WeakPolarHBondContact O-CB 3.33Å; T28-R32 VanDerWaalsContact O-CG 3.24Å; T28-R32 WeakPolarHBondContact O-CG 3.39Å; T28-R32 PolarHBondContact O-N 3.44Å; V30-R32 VanDerWaalsContact C-N 3.34Å; V30-R32 PolarHBondContact O-N 3.21Å; R32-I34 VanDerWaalsContact C-N 3.32Å; R32-I34 PolarHBondContact O-N 3.24Å; R32-Y35 PolarHBondContact O-N 3.41Å; R32-N36 VanDerWaalsContact O-CB 3.28Å; R32-N36 WeakPolarHBondContact O-CB 3.12Å; R32-N36 PolarHBondContact O-N 3.1Å; R32-N36 PolarHBondContact O-ND2 2.9Å; R32-M45 HydrophobicContact CG-CE 4.08Å; R32-M45 HydrophobicContact CG-SD 3.96Å
33A96.9Very high95.5Very high27 Ų2748.5 Ų48.522%0.22326%0.257CS..Hα-helixtrans-64.4-37.9178.100000111.9S29 V30 I203S29-A33 VanDerWaalsContact O-CB 3.25Å; S29-A33 WeakPolarHBondContact O-CB 3.42Å; S29-A33 PolarHBondContact O-N 3.44Å; V30-A33 PolarHBondContact O-N 3Å; V30-A33 VanDerWaalsContact O-N 3.17Å; A33-I203 HydrophobicContact CB-CD1 3.68Å; A33-I203 HydrophobicContact CB-CG1 4.24Å; A33-I203 HydrophobicContact CB-CG2 3.96Å
34I96.1Very high95.5Very high0 Ų048 Ų480%025%0.252CS..Hα-helixtrans-66.6-51.9172.3-63.2160.5000110.1V30 S31 R32 N36 R37 F38 I118 I138 I203 I206 V210V30-I34 HydrophobicContact CG1-CD1 3.84Å; V30-I34 WeakPolarHBondContact O-CG1 3.48Å; V30-I34 PolarHBondContact O-N 2.8Å; S31-I34 PolarHBondContact O-N 2.83Å; R32-I34 VanDerWaalsContact C-N 3.32Å; R32-I34 PolarHBondContact O-N 3.24Å; I34-N36 VanDerWaalsContact C-N 3.27Å; I34-N36 PolarHBondContact O-N 3.03Å; I34-R37 WeakPolarHBondContact O-CB 3.44Å; I34-R37 PolarHBondContact O-N 3.48Å; I34-F38 HydrophobicContact CG2-CE2 4.42Å; I34-F38 VanDerWaalsContact O-CD2 3.29Å; I34-F38 WeakPolarHBondContact O-CD2 3.39Å; I34-I118 HydrophobicContact CB-CD1 4.08Å; I34-I118 HydrophobicContact CG2-CD1 3.86Å; I34-I138 HydrophobicContact CD1-CD1 4.35Å; I34-I203 HydrophobicContact CG1-CG2 4.44Å; I34-I206 HydrophobicContact CD1-CB 4.44Å; I34-I206 HydrophobicContact CD1-CD1 4.49Å; I34-I206 HydrophobicContact CD1-CG2 3.62Å; I34-I206 HydrophobicContact CG1-CG2 4.02Å; I34-V210 HydrophobicContact CG2-CG2 4.38Å
35Y96.5Very high95.6Very high92 Ų9249.2 Ų49.236%0.36126%0.255SS..Hα-helixtrans-51.8-45.6178.8178.2-90.9000112S31 R32 R37 F38 I43 M45S31-Y35 WeakPolarHBondContact O-CB 3.45Å; S31-Y35 PolarHBondContact O-N 2.96Å; R32-Y35 PolarHBondContact O-N 3.41Å; Y35-R37 PolarHBondContact O-N 3.21Å; Y35-R37 VanDerWaalsContact O-N 3.17Å; Y35-F38 PolarHBondContact O-N 2.91Å; Y35-I43 HydrophobicContact CD2-CB 4.5Å; Y35-I43 HydrophobicContact CD2-CG1 4.13Å; Y35-I43 HydrophobicContact CD2-CG2 3.78Å; Y35-I43 HydrophobicContact CE2-CG2 3.77Å; Y35-M45 HydrophobicContact CD2-CG 3.94Å; Y35-M45 HydrophobicContact CD2-SD 4.48Å; Y35-M45 HydrophobicContact CG-CG 4.28Å; Y35-M45 HydrophobicContact CG-SD 4.26Å
36N96Very high95.7Very high112 Ų11249.1 Ų49.160%0.59926%0.255SS*.THydrogen-bonded Turntrans-69-11.1-178.3-70.3-19.4000114.4R32 I34 F38R32-N36 VanDerWaalsContact O-CB 3.28Å; R32-N36 WeakPolarHBondContact O-CB 3.12Å; R32-N36 PolarHBondContact O-N 3.1Å; R32-N36 PolarHBondContact O-ND2 2.9Å; I34-N36 VanDerWaalsContact C-N 3.27Å; I34-N36 PolarHBondContact O-N 3.03Å; N36-F38 PolarHBondContact O-N 3.21Å
37R94.6Very high95.7Very high112 Ų11251.8 Ų51.842%0.42326%0.263SS..THydrogen-bonded Turntrans-74.7-9.9170.8-65.6-57.9-168.796.52.1112.8I34 Y35 P39 D204 A207I34-R37 WeakPolarHBondContact O-CB 3.44Å; I34-R37 PolarHBondContact O-N 3.48Å; Y35-R37 PolarHBondContact O-N 3.21Å; Y35-R37 VanDerWaalsContact O-N 3.17Å; R37-P39 VanDerWaalsContact C-CD 3.45Å; R37-D204 IonicContact CZ-OD1 4Å; R37-D204 IonicContact NH1-OD1 2.83Å; R37-D204 PolarHBondContact NH1-OD1 3.41Å; R37-D204 IonicContact NH2-OD1 3.08Å; R37-D204 PolarHBondContact NH2-OD1 2.73Å; R37-A207 HydrophobicContact CB-CB 4.08Å; R37-A207 HydrophobicContact CG-CB 3.81Å
38F94.4Very high95.7Very high12 Ų1251.3 Ų51.35%0.05326%0.261CS..  trans-130.151.4-169.7-62.6-71.4000113.5I34 Y35 N36 D40 H41 I43 A207 V210 A211 L214I34-F38 HydrophobicContact CG2-CE2 4.42Å; I34-F38 VanDerWaalsContact O-CD2 3.29Å; I34-F38 WeakPolarHBondContact O-CD2 3.39Å; Y35-F38 PolarHBondContact O-N 2.91Å; N36-F38 PolarHBondContact O-N 3.21Å; F38-D40 PolarHBondContact O-N 3.18Å; F38-D40 VanDerWaalsContact O-N 3.14Å; F38-H41 HydrophobicContact CB-CB 4.08Å; F38-H41 HydrophobicContact CD1-CB 4.48Å; F38-H41 PolarHBondContact O-N 3.14Å; F38-H41 VanDerWaalsContact O-N 3.17Å; F38-I43 HydrophobicContact CB-CG2 3.97Å; F38-I43 HydrophobicContact CD2-CD1 4.01Å; F38-A207 HydrophobicContact CE2-CB 4.12Å; F38-A207 HydrophobicContact CZ-CB 4.22Å; F38-A207 WeakPolarHBondContact CZ-O 3.39Å; F38-V210 HydrophobicContact CD2-CG1 4.31Å; F38-V210 HydrophobicContact CE1-CG1 4.45Å; F38-V210 HydrophobicContact CE2-CB 3.83Å; F38-V210 HydrophobicContact CE2-CG1 3.66Å; F38-V210 HydrophobicContact CZ-CB 3.76Å; F38-V210 HydrophobicContact CZ-CG1 3.75Å; F38-A211 HydrophobicContact CE1-CB 3.81Å; F38-A211 HydrophobicContact CZ-CB 4.03Å; F38-L214 HydrophobicContact CD1-CD1 3.66Å; F38-L214 HydrophobicContact CE1-CD1 3.8Å; F38-L214 HydrophobicContact CG-CD1 4.25Å; F38-L214 HydrophobicContact CZ-CD1 4.49Å
39P91.1Very high95.7Very high105 Ų10550.9 Ų50.968%0.68226%0.258SS*.THydrogen-bonded Turntrans-59.2-31.2-173.525.4-35.3000113.8R37R37-P39 VanDerWaalsContact C-CD 3.45Å
40D90.2Very high95.7Very high152 Ų15248.7 Ų48.781%0.81324%0.242SC*.THydrogen-bonded Turntrans-1047.8-177-56.3-54.1000113.9F38F38-D40 PolarHBondContact O-N 3.18Å; F38-D40 VanDerWaalsContact O-N 3.14Å
41H89.7Confident95.7Very high84 Ų8448.7 Ų48.739%0.38924%0.242SC..SBendtrans-107.3164.4-177.8-59.266.6000112.5F38 I43 L214F38-H41 HydrophobicContact CB-CB 4.08Å; F38-H41 HydrophobicContact CD1-CB 4.48Å; F38-H41 PolarHBondContact O-N 3.14Å; F38-H41 VanDerWaalsContact O-N 3.17Å; H41-I43 VanDerWaalsContact C-N 3.33Å; H41-I43 PolarHBondContact O-N 3.02Å; H41-L214 HydrophobicContact CB-CD1 3.94Å
42S91.4Very high95.7Very high31 Ų3149.4 Ų49.422%0.21725%0.245CC..SBendtrans-77.480.2178.6-170.90000111K114 E115 V116S42-K114 WeakPolarHBondContact OG-CA 3.47Å; S42-E115 PolarHBondContact O-N 3.09Å; S42-E115 PolarHBondContact OG-N 3.27Å; S42-E115 VanDerWaalsContact OG-N 3.07Å; S42-V116 PolarHBondContact O-N 3.26Å
43I95.8Very high95.7Very high7 Ų747.2 Ų47.24%0.03624%0.239CC..EExtended strand (participates in β ladder)trans-128145.7177.8-169.5159.3000111.6Y35 F38 H41 V116 I118Y35-I43 HydrophobicContact CD2-CB 4.5Å; Y35-I43 HydrophobicContact CD2-CG1 4.13Å; Y35-I43 HydrophobicContact CD2-CG2 3.78Å; Y35-I43 HydrophobicContact CE2-CG2 3.77Å; F38-I43 HydrophobicContact CB-CG2 3.97Å; F38-I43 HydrophobicContact CD2-CD1 4.01Å; H41-I43 VanDerWaalsContact C-N 3.33Å; H41-I43 PolarHBondContact O-N 3.02Å; I43-V116 CarbonylContact C-O 3.53Å; I43-V116 WeakPolarHBondContact CA-O 3.24Å; I43-V116 HydrophobicContact CB-CB 4.24Å; I43-V116 HydrophobicContact CD1-CB 4.04Å; I43-V116 HydrophobicContact CD1-CG1 3.68Å; I43-V116 HydrophobicContact CG1-CB 3.86Å; I43-V116 HydrophobicContact CG1-CG1 3.86Å; I43-I118 HydrophobicContact CD1-CD1 3.86Å; I43-I118 HydrophobicContact CD1-CG1 4.19Å; I43-I118 HydrophobicContact CG1-CD1 4.33Å; I43-I118 HydrophobicContact CG1-CG1 4.41Å
44M97.2Very high95.7Very high6 Ų649.3 Ų49.33%0.0325%0.247CC..EExtended strand (participates in β ladder)trans-136.2159.7173.557.9178.7-83.400111.9L46 L86 Q111 K114 V116 I117 I118M44-L46 HydrophobicContact CE-CB 3.99Å; M44-L46 HydrophobicContact CE-CD1 4.33Å; M44-L86 HydrophobicContact CE-CD1 3.99Å; M44-L86 HydrophobicContact SD-CD1 4.47Å; M44-L86 HydrophobicContact SD-CD2 4.33Å; M44-Q111 HydrophobicContact CE-CG 3.23Å; M44-Q111 HydrophobicContact SD-CG 3.83Å; M44-Q111 PolarHBondContact SD-NE2 3.44Å; M44-Q111 VanDerWaalsContact SD-NE2 3.39Å; M44-K114 HydrophobicContact CB-CB 4.2Å; M44-K114 HydrophobicContact CB-CG 3.63Å; M44-K114 HydrophobicContact CG-CB 3.81Å; M44-K114 HydrophobicContact CG-CG 3.74Å; M44-K114 HydrophobicContact SD-CB 4.2Å; M44-K114 HydrophobicContact SD-CG 4.04Å; M44-V116 PolarHBondContact N-O 2.64Å; M44-I117 HydrophobicContact CE-CG2 4.23Å; M44-I117 HydrophobicContact CG-CB 4.33Å; M44-I117 HydrophobicContact CG-CG1 3.98Å; M44-I117 HydrophobicContact CG-CG2 4.38Å; M44-I117 HydrophobicContact SD-CG1 3.95Å; M44-I118 PolarHBondContact O-N 3.39Å
45M97.6Very high95.7Very high37 Ų3750.1 Ų50.118%0.18225%0.25CS..EExtended strand (participates in β ladder)trans-107.9139.4166.9-66.5-175.856.200109.6R32 Y35 I118R32-M45 HydrophobicContact CG-CE 4.08Å; R32-M45 HydrophobicContact CG-SD 3.96Å; Y35-M45 HydrophobicContact CD2-CG 3.94Å; Y35-M45 HydrophobicContact CD2-SD 4.48Å; Y35-M45 HydrophobicContact CG-CG 4.28Å; Y35-M45 HydrophobicContact CG-SD 4.26Å; M45-I118 CarbonylContact C-O 3.55Å; M45-I118 WeakPolarHBondContact CA-O 3.46Å; M45-I118 HydrophobicContact CG-CB 4.33Å
46L98.4Very high95.6Very high0 Ų049 Ų490%026%0.256CS..EExtended strand (participates in β ladder)trans-129.4126.9172.8-169.265.5000109.1M44 Y51 L79 L83 L86 V94 I117 I118 L119 E120M44-L46 HydrophobicContact CE-CB 3.99Å; M44-L46 HydrophobicContact CE-CD1 4.33Å; L46-Y51 HydrophobicContact CD1-CE2 4.08Å; L46-Y51 HydrophobicContact CD2-CE2 4.34Å; L46-Y51 HydrophobicContact CG-CE2 4.16Å; L46-L79 HydrophobicContact CD2-CD1 3.61Å; L46-L79 HydrophobicContact CG-CD1 4.4Å; L46-L83 HydrophobicContact CD2-CD2 3.9Å; L46-L83 HydrophobicContact CD2-CG 4.42Å; L46-L86 HydrophobicContact CD2-CD1 4.27Å; L46-V94 HydrophobicContact CD1-CG1 4.11Å; L46-V94 HydrophobicContact CD1-CG2 3.85Å; L46-I117 HydrophobicContact CB-CG2 4.41Å; L46-I118 PolarHBondContact N-O 3.46Å; L46-L119 HydrophobicContact CB-CD1 4.46Å; L46-L119 CarbonylContact O-C 3.45Å; L46-L119 WeakPolarHBondContact O-CA 3.31Å; L46-E120 PolarHBondContact O-N 3.09Å
47E98Very high95.6Very high71 Ų7150 Ų5033%0.33226%0.262SS..EExtended strand (participates in β ladder)trans-101.7124.2-175.7-61-179.4-17100110D49 S50 Y51 E120E47-D49 PolarHBondContact O-N 3.17Å; E47-S50 VanDerWaalsContact O-CB 3.31Å; E47-S50 WeakPolarHBondContact O-CB 3.29Å; E47-S50 PolarHBondContact O-N 3.17Å; E47-S50 VanDerWaalsContact O-N 3.09Å; E47-Y51 WeakPolarHBondContact O-CD2 3.4Å; E47-E120 HydrophobicContact CG-CG 4.03Å
48H98.3Very high95.6Very high2 Ų247.2 Ų47.21%0.00925%0.254CS..G310 helixtrans-61.7-27.2174.7-167.6-160.1000111.6S50 Y51 F74 T76 L79 E120 I124H48-S50 PolarHBondContact O-N 2.76Å; H48-Y51 WeakPolarHBondContact O-CA 3.25Å; H48-Y51 WeakPolarHBondContact O-CB 3.4Å; H48-Y51 PolarHBondContact O-N 3.06Å; H48-F74 AromaticContact CD2-CD1 3.63Å; H48-F74 AromaticContact CE1-CD1 3.52Å; H48-F74 AromaticContact CE1-CG 3.63Å; H48-F74 AromaticContact CG-CD1 3.77Å; H48-F74 AromaticContact ND1-CD1 3.7Å; H48-F74 AromaticContact ND1-CE1 3.87Å; H48-F74 AromaticContact NE2-CD1 3.5Å; H48-F74 AromaticContact NE2-CG 3.7Å; H48-T76 PolarHBondContact NE2-OG1 2.82Å; H48-L79 WeakPolarHBondContact CD2-CD2 3.42Å; H48-E120 WeakPolarHBondContact CB-O 3.28Å; H48-E120 PolarHBondContact N-O 3.22Å; H48-I124 HydrophobicContact CB-CG2 3.63Å
49D96.6Very high95.7Very high24 Ų2449.3 Ų49.313%0.12827%0.27CS..G310 helixtrans-62.5-24.5176.2-68.217.9000112.1E47 Y51 Y52 Y99E47-D49 PolarHBondContact O-N 3.17Å; D49-Y51 PolarHBondContact O-N 2.78Å; D49-Y52 HydrophobicContact CB-CD2 4.5Å; D49-Y52 HydrophobicContact CB-CE2 3.91Å; D49-Y52 WeakPolarHBondContact O-CD2 3.36Å; D49-Y99 WeakPolarHBondContact CB-OH 3.33Å; D49-Y99 PolarHBondContact OD2-OH 3.14Å
50S97.8Very high95.8Very high15 Ų1549.2 Ų49.211%0.10526%0.259CS..G310 helixtrans-61.7-25.6169.2-73.70000112.5E47 H48 P95E47-S50 VanDerWaalsContact O-CB 3.31Å; E47-S50 WeakPolarHBondContact O-CB 3.29Å; E47-S50 PolarHBondContact O-N 3.17Å; E47-S50 VanDerWaalsContact O-N 3.09Å; H48-S50 PolarHBondContact O-N 2.76Å; S50-P95 VanDerWaalsContact CB-O 3.28Å; S50-P95 WeakPolarHBondContact CB-O 3.4Å; S50-P95 VanDerWaalsContact O-CG 3.29Å; S50-P95 WeakPolarHBondContact O-CG 3.2Å; S50-P95 PolarHBondContact OG-O 3.06Å
51Y98.4Very high95.9Very high0 Ų047.9 Ų47.90%025%0.248CC..G310 helixtrans-97.717.9-172.9-63.8-98.4000113.3L46 E47 H48 D49 K53 D75 L78 L79 H82 V94 P95L46-Y51 HydrophobicContact CD1-CE2 4.08Å; L46-Y51 HydrophobicContact CD2-CE2 4.34Å; L46-Y51 HydrophobicContact CG-CE2 4.16Å; E47-Y51 WeakPolarHBondContact O-CD2 3.4Å; H48-Y51 WeakPolarHBondContact O-CA 3.25Å; H48-Y51 WeakPolarHBondContact O-CB 3.4Å; H48-Y51 PolarHBondContact O-N 3.06Å; D49-Y51 PolarHBondContact O-N 2.78Å; Y51-K53 PolarHBondContact O-N 2.72Å; Y51-D75 WeakPolarHBondContact O-CB 3.48Å; Y51-D75 PolarHBondContact O-N 2.6Å; Y51-L78 HydrophobicContact CD1-CB 4.25Å; Y51-L78 HydrophobicContact CD1-CD2 4.19Å; Y51-L78 HydrophobicContact CD1-CG 4.13Å; Y51-L78 HydrophobicContact CE1-CD2 4.35Å; Y51-L78 HydrophobicContact CE1-CG 4.07Å; Y51-L79 HydrophobicContact CD1-CB 3.72Å; Y51-L79 HydrophobicContact CD2-CB 4.31Å; Y51-L79 HydrophobicContact CD2-CD1 4.04Å; Y51-L79 HydrophobicContact CE1-CB 3.93Å; Y51-L79 HydrophobicContact CE1-CD1 4.24Å; Y51-L79 HydrophobicContact CE2-CD1 3.65Å; Y51-L79 HydrophobicContact CG-CB 3.92Å; Y51-L79 HydrophobicContact CG-CD1 4.49Å; Y51-H82 HydrophobicContact CE1-CB 4.47Å; Y51-H82 AromaticContact CE1-ND1 3.46Å; Y51-H82 WeakPolarHBondContact CE1-ND1 3.41Å; Y51-H82 AromaticContact CZ-ND1 3.62Å; Y51-H82 PolarHBondContact OH-ND1 2.84Å; Y51-V94 HydrophobicContact CE2-CG1 3.98Å; Y51-P95 HydrophobicContact CD1-CG 4.31Å; Y51-P95 HydrophobicContact CE1-CG 4.46Å
52Y97.9Very high96.1Very high15 Ų1548.5 Ų48.56%0.05925%0.251CS..BIsolated β-bridgetrans-52.8140.7162.2-74.7-61.2000110.1D49 Y68 A73 F74 Y97 Y99 R104D49-Y52 HydrophobicContact CB-CD2 4.5Å; D49-Y52 HydrophobicContact CB-CE2 3.91Å; D49-Y52 WeakPolarHBondContact O-CD2 3.36Å; Y52-Y68 AromaticContact CD1-CD1 3.68Å; Y52-Y68 HydrophobicContact CD1-CD1 3.68Å; Y52-Y68 HydrophobicContact CD1-CE1 4.44Å; Y52-Y68 AromaticContact CE1-CD1 3.74Å; Y52-Y68 HydrophobicContact CE1-CD1 3.74Å; Y52-Y68 HydrophobicContact CE1-CG 4.3Å; Y52-Y68 WeakPolarHBondContact CE1-O 3.29Å; Y52-Y68 HydrophobicContact CG-CD1 4.22Å; Y52-A73 WeakPolarHBondContact CA-O 3.24Å; Y52-A73 HydrophobicContact CD1-CB 4.15Å; Y52-A73 HydrophobicContact CE1-CB 4.34Å; Y52-F74 HydrophobicContact CD1-CD1 4.09Å; Y52-F74 AromaticContact CD1-CE1 3.86Å; Y52-F74 HydrophobicContact CD1-CE1 3.86Å; Y52-F74 HydrophobicContact CD1-CE2 4.27Å; Y52-F74 HydrophobicContact CD1-CG 4.42Å; Y52-F74 AromaticContact CD1-CZ 3.97Å; Y52-F74 HydrophobicContact CD1-CZ 3.97Å; Y52-F74 HydrophobicContact CE1-CD1 4.11Å; Y52-F74 HydrophobicContact CE1-CD2 4.27Å; Y52-F74 AromaticContact CE1-CE1 3.45Å; Y52-F74 HydrophobicContact CE1-CE1 3.45Å; Y52-F74 VanDerWaalsContact CE1-CE1 3.45Å; Y52-F74 AromaticContact CE1-CE2 3.61Å; Y52-F74 HydrophobicContact CE1-CE2 3.61Å; Y52-F74 HydrophobicContact CE1-CG 4.5Å; Y52-F74 AromaticContact CE1-CZ 3.17Å; Y52-F74 HydrophobicContact CE1-CZ 3.17Å; Y52-F74 HydrophobicContact CE2-CE1 4.34Å; Y52-F74 HydrophobicContact CG-CE1 4.47Å; Y52-F74 AromaticContact CZ-CE1 3.7Å; Y52-F74 AromaticContact CZ-CZ 3.5Å; Y52-F74 WeakPolarHBondContact OH-CZ 3.3Å; Y52-Y97 VanDerWaalsContact CB-CD2 3.46Å; Y52-Y97 VanDerWaalsContact CB-CE2 3.42Å; Y52-Y97 AromaticContact CD2-CD1 3.66Å; Y52-Y97 HydrophobicContact CD2-CD1 3.66Å; Y52-Y97 AromaticContact CD2-CD2 3.99Å; Y52-Y97 HydrophobicContact CD2-CD2 3.99Å; Y52-Y97 AromaticContact CD2-CE1 3.72Å; Y52-Y97 HydrophobicContact CD2-CE1 3.72Å; Y52-Y97 HydrophobicContact CD2-CE2 4.04Å; Y52-Y97 AromaticContact CD2-CG 3.79Å; Y52-Y97 HydrophobicContact CD2-CG 3.79Å; Y52-Y97 AromaticContact CD2-CZ 3.91Å; Y52-Y97 HydrophobicContact CE2-CD1 4.34Å; Y52-Y97 HydrophobicContact CE2-CE1 4.3Å; Y52-Y97 HydrophobicContact CG-CD2 4.16Å; Y52-Y97 HydrophobicContact CG-CE1 4.41Å; Y52-Y97 HydrophobicContact CG-CE2 4Å; Y52-Y97 HydrophobicContact CG-CG 4.41Å; Y52-Y99 HydrophobicContact CE2-CE1 4.4Å; Y52-R104 PolarHBondContact O-NE 2.89Å; Y52-R104 PolarHBondContact O-NH2 3.21Å
53K97.3Very high96.2Very high87 Ų8748.7 Ų48.738%0.37825%0.247SC..PPolyproline II helixtrans-62.1145.7179.9-75.8-179.3178.3156.80111.1Y51 Q55 F72 A73 F74 D75Y51-K53 PolarHBondContact O-N 2.72Å; K53-Q55 PolarHBondContact O-N 2.91Å; K53-F72 WeakPolarHBondContact CD-O 3.3Å; K53-F72 WeakPolarHBondContact CE-O 3.24Å; K53-F72 PolarHBondContact NZ-O 2.79Å; K53-A73 PolarHBondContact N-O 3.24Å; K53-F74 VanDerWaalsContact CE-O 3.23Å; K53-F74 WeakPolarHBondContact CE-O 3.41Å; K53-D75 HydrophobicContact CG-CB 3.95Å
54D97Very high95.9Very high72 Ų7252.9 Ų52.939%0.38527%0.269SS..PPolyproline II helixtrans-64.8128.7166.9-172.116.7000109.6S56 T103 R104D54-S56 VanDerWaalsContact CG-OG 3.25Å; D54-S56 WeakPolarHBondContact OD1-CB 3.39Å; D54-S56 PolarHBondContact OD1-N 3.05Å; D54-S56 PolarHBondContact OD1-OG 3.06Å; D54-S56 WeakPolarHBondContact OD2-CB 3.35Å; D54-S56 PolarHBondContact OD2-OG 3.41Å; D54-T103 PolarHBondContact OD1-OG1 3.47Å; D54-R104 HydrophobicContact CB-CB 4.28Å; D54-R104 HydrophobicContact CB-CG 4.17Å
55Q96Very high95.6Very high17 Ų1759.5 Ų59.58%0.07930%0.298CS..  trans-120.419.8177.2-67.4179.164.700110.7K53 N57 I58 R63 T66 Y68 T103K53-Q55 PolarHBondContact O-N 2.91Å; Q55-N57 PolarHBondContact O-N 3.41Å; Q55-I58 HydrophobicContact CB-CD1 4.11Å; Q55-I58 HydrophobicContact CB-CG1 3.93Å; Q55-I58 HydrophobicContact CG-CD1 4.34Å; Q55-I58 VanDerWaalsContact O-CG1 3.29Å; Q55-I58 WeakPolarHBondContact O-CG1 3.35Å; Q55-I58 PolarHBondContact O-N 2.94Å; Q55-I58 VanDerWaalsContact O-N 3.08Å; Q55-R63 HydrophobicContact CB-CG 3.89Å; Q55-R63 PolarHBondContact O-NE 2.87Å; Q55-R63 PolarHBondContact O-NH2 3.23Å; Q55-T66 PolarHBondContact OE1-OG1 2.98Å; Q55-Y68 PolarHBondContact NE2-OH 3.37Å; Q55-T103 WeakPolarHBondContact CA-OG1 3.37Å; Q55-T103 PolarHBondContact N-OG1 2.9Å
56S93.9Very high95.4Very high69 Ų6959.6 Ų59.648%0.48330%0.301SS..THydrogen-bonded Turntrans-54.6-25.1177.3630000113.2D54 R63 T103D54-S56 VanDerWaalsContact CG-OG 3.25Å; D54-S56 WeakPolarHBondContact OD1-CB 3.39Å; D54-S56 PolarHBondContact OD1-N 3.05Å; D54-S56 PolarHBondContact OD1-OG 3.06Å; D54-S56 WeakPolarHBondContact OD2-CB 3.35Å; D54-S56 PolarHBondContact OD2-OG 3.41Å; S56-R63 PolarHBondContact O-NH2 3.39Å; S56-T103 PolarHBondContact N-OG1 2.95Å; S56-T103 VanDerWaalsContact N-OG1 3.15Å
57N95.3Very high95.2Very high133 Ų13362 Ų6271%0.71131%0.313SS*.THydrogen-bonded Turntrans-80.1-11.1179.969.2-44000115.5Q55Q55-N57 PolarHBondContact O-N 3.41Å
58I95.2Very high95Very high53 Ų5359.5 Ų59.527%0.27230%0.301SS..SBendtrans-115.4161176.462.9169.5000111.2Q55 E62 R63Q55-I58 HydrophobicContact CB-CD1 4.11Å; Q55-I58 HydrophobicContact CB-CG1 3.93Å; Q55-I58 HydrophobicContact CG-CD1 4.34Å; Q55-I58 VanDerWaalsContact O-CG1 3.29Å; Q55-I58 WeakPolarHBondContact O-CG1 3.35Å; Q55-I58 PolarHBondContact O-N 2.94Å; Q55-I58 VanDerWaalsContact O-N 3.08Å; I58-E62 HydrophobicContact CB-CB 4.28Å; I58-E62 HydrophobicContact CD1-CB 3.98Å; I58-E62 HydrophobicContact CG1-CB 4.43Å; I58-R63 HydrophobicContact CD1-CG 3.93Å; I58-R63 HydrophobicContact CG1-CG 3.78Å; I58-R63 PolarHBondContact O-NE 3.17Å; I58-R63 VanDerWaalsContact O-NE 3.12Å; I58-R63 PolarHBondContact O-NH2 3.03Å
59S95.8Very high94.9Very high55 Ų5559.9 Ų59.939%0.38530%0.303SS..  trans-67.3153.9-178.5680000112E61 E62 R63S59-E61 PolarHBondContact O-N 3.35Å; S59-E62 WeakPolarHBondContact CB-OE2 3.5Å; S59-E62 PolarHBondContact N-OE2 2.98Å; S59-E62 PolarHBondContact O-N 3.38Å; S59-E62 VanDerWaalsContact OG-CG 3.25Å; S59-E62 WeakPolarHBondContact OG-CG 3.16Å; S59-E62 PolarHBondContact OG-N 2.93Å; S59-E62 PolarHBondContact OG-OE2 3.34Å; S59-R63 WeakPolarHBondContact O-CG 3.43Å; S59-R63 PolarHBondContact O-N 2.96Å
60F93.2Very high94.9Very high103 Ų10360.6 Ų60.645%0.45231%0.306SS..Hα-helixtrans-56.5-37.9176.5-178.2-104.4000112.3E62 R63 L64 V100 H102F60-E62 VanDerWaalsContact C-N 3.31Å; F60-E62 PolarHBondContact O-N 2.87Å; F60-R63 PolarHBondContact O-N 3.47Å; F60-L64 HydrophobicContact CD1-CD1 4.11Å; F60-L64 HydrophobicContact CD1-CG 4.39Å; F60-L64 HydrophobicContact CE1-CD1 3.71Å; F60-L64 HydrophobicContact CE1-CD2 4.26Å; F60-L64 HydrophobicContact CE1-CG 4.05Å; F60-L64 HydrophobicContact CZ-CD1 4.33Å; F60-L64 HydrophobicContact CZ-CD2 4.03Å; F60-L64 HydrophobicContact CZ-CG 4.25Å; F60-L64 WeakPolarHBondContact O-CG 3.3Å; F60-L64 PolarHBondContact O-N 3Å; F60-L64 VanDerWaalsContact O-N 3.11Å; F60-V100 WeakPolarHBondContact CE2-O 3.38Å; F60-H102 HydrophobicContact CE2-CB 4.49Å; F60-H102 AromaticContact CE2-CD2 4Å
61E93.8Very high94.9Very high125 Ų12560.7 Ų60.758%0.58431%0.306SS*.Hα-helixtrans-63.3-36.4176.8-162.6-160135.500112.4S59 K65S59-E61 PolarHBondContact O-N 3.35Å; E61-K65 IonicContact OE1-NZ 3.99Å; E61-K65 PolarHBondContact OE1-NZ 2.88Å
62E94.2Very high94.8Very high97 Ų9768.3 Ų68.345%0.45334%0.339SS..Hα-helixtrans-71.3-38.4174.5-70.8166.5128.400111.8I58 S59 F60 L64 K65I58-E62 HydrophobicContact CB-CB 4.28Å; I58-E62 HydrophobicContact CD1-CB 3.98Å; I58-E62 HydrophobicContact CG1-CB 4.43Å; S59-E62 WeakPolarHBondContact CB-OE2 3.5Å; S59-E62 PolarHBondContact N-OE2 2.98Å; S59-E62 PolarHBondContact O-N 3.38Å; S59-E62 VanDerWaalsContact OG-CG 3.25Å; S59-E62 WeakPolarHBondContact OG-CG 3.16Å; S59-E62 PolarHBondContact OG-N 2.93Å; S59-E62 PolarHBondContact OG-OE2 3.34Å; F60-E62 VanDerWaalsContact C-N 3.31Å; F60-E62 PolarHBondContact O-N 2.87Å; E62-L64 VanDerWaalsContact C-N 3.27Å; E62-L64 PolarHBondContact O-N 3.15Å; E62-K65 WeakPolarHBondContact O-CB 3.48Å; E62-K65 PolarHBondContact O-N 2.9Å
63R93.4Very high94.8Very high35 Ų3568 Ų6813%0.13234%0.339CS..Hα-helixtrans-59.8-37.8175.7-61.5175.6-160.3168.24.8112.3Q55 S56 I58 S59 F60 K65 T66 Y68 A101 H102 T103Q55-R63 HydrophobicContact CB-CG 3.89Å; Q55-R63 PolarHBondContact O-NE 2.87Å; Q55-R63 PolarHBondContact O-NH2 3.23Å; S56-R63 PolarHBondContact O-NH2 3.39Å; I58-R63 HydrophobicContact CD1-CG 3.93Å; I58-R63 HydrophobicContact CG1-CG 3.78Å; I58-R63 PolarHBondContact O-NE 3.17Å; I58-R63 VanDerWaalsContact O-NE 3.12Å; I58-R63 PolarHBondContact O-NH2 3.03Å; S59-R63 WeakPolarHBondContact O-CG 3.43Å; S59-R63 PolarHBondContact O-N 2.96Å; F60-R63 PolarHBondContact O-N 3.47Å; R63-K65 PolarHBondContact O-N 3.23Å; R63-T66 VanDerWaalsContact O-CB 3.29Å; R63-T66 WeakPolarHBondContact O-CB 3.39Å; R63-T66 PolarHBondContact O-N 3.36Å; R63-T66 PolarHBondContact O-OG1 2.96Å; R63-Y68 PolarHBondContact O-OH 2.89Å; R63-A101 PolarHBondContact NH1-O 2.66Å; R63-H102 HydrophobicContact CB-CB 3.87Å; R63-T103 VanDerWaalsContact NH1-CG2 3.32Å
64L88.7Confident94.8Very high95 Ų9564 Ų6450%0.49732%0.322SS..THydrogen-bonded Turntrans-62.3-21.3175.8-69.7177.8000113.2F60 E62F60-L64 HydrophobicContact CD1-CD1 4.11Å; F60-L64 HydrophobicContact CD1-CG 4.39Å; F60-L64 HydrophobicContact CE1-CD1 3.71Å; F60-L64 HydrophobicContact CE1-CD2 4.26Å; F60-L64 HydrophobicContact CE1-CG 4.05Å; F60-L64 HydrophobicContact CZ-CD1 4.33Å; F60-L64 HydrophobicContact CZ-CD2 4.03Å; F60-L64 HydrophobicContact CZ-CG 4.25Å; F60-L64 WeakPolarHBondContact O-CG 3.3Å; F60-L64 PolarHBondContact O-N 3Å; F60-L64 VanDerWaalsContact O-N 3.11Å; E62-L64 VanDerWaalsContact C-N 3.27Å; E62-L64 PolarHBondContact O-N 3.15Å
65K91.4Very high94.9Very high144 Ų14462.4 Ų62.463%0.62631%0.314SS*.THydrogen-bonded Turntrans-89-7178-60.5168.8-170167.20112.4E61 E62 R63E61-K65 IonicContact OE1-NZ 3.99Å; E61-K65 PolarHBondContact OE1-NZ 2.88Å; E62-K65 WeakPolarHBondContact O-CB 3.48Å; E62-K65 PolarHBondContact O-N 2.9Å; R63-K65 PolarHBondContact O-N 3.23Å
66T93.4Very high95Very high40 Ų4062.4 Ų62.425%0.24532%0.315CS..  trans-69.4133.2-179.4-63.50000111.7Q55 R63 Y68Q55-T66 PolarHBondContact OE1-OG1 2.98Å; R63-T66 VanDerWaalsContact O-CB 3.29Å; R63-T66 WeakPolarHBondContact O-CB 3.39Å; R63-T66 PolarHBondContact O-N 3.36Å; R63-T66 PolarHBondContact O-OG1 2.96Å; T66-Y68 HydrophobicContact CG2-CD1 4.36Å; T66-Y68 HydrophobicContact CG2-CD2 4.37Å; T66-Y68 HydrophobicContact CG2-CE1 4.11Å; T66-Y68 HydrophobicContact CG2-CE2 4.13Å; T66-Y68 HydrophobicContact CG2-CG 4.49Å; T66-Y68 WeakPolarHBondContact O-CD2 3.49Å; T66-Y68 WeakPolarHBondContact O-CE2 3.34Å; T66-Y68 PolarHBondContact O-N 3.38Å
67N94.4Very high95.2Very high49 Ų4963.6 Ų63.626%0.26232%0.316SS..  trans-83.594.7172.2-179.2-7.3000110.4D69 H70 A73 V173 M177N67-D69 PolarHBondContact O-N 3.05Å; N67-D69 PolarHBondContact OD1-N 3.21Å; N67-H70 HydrophobicContact CB-CB 4.24Å; N67-H70 PolarHBondContact O-N 3.26Å; N67-H70 PolarHBondContact OD1-N 2.88Å; N67-A73 WeakPolarHBondContact O-CB 3.33Å; N67-V173 HydrophobicContact CB-CG1 4.36Å; N67-V173 VanDerWaalsContact CG-CG1 3.49Å; N67-V173 WeakPolarHBondContact OD1-CG1 3.21Å; N67-M177 WeakPolarHBondContact ND2-CG 3.48Å; N67-M177 PolarHBondContact ND2-SD 2.91Å
68Y93.5Very high95.4Very high20 Ų2058.9 Ų58.98%0.07829%0.291CS..THydrogen-bonded Turntrans-73.1-7.5179.6-66.6-81.5000114.5Y52 Q55 R63 T66 A73 F74 Y97 H102Y52-Y68 AromaticContact CD1-CD1 3.68Å; Y52-Y68 HydrophobicContact CD1-CD1 3.68Å; Y52-Y68 HydrophobicContact CD1-CE1 4.44Å; Y52-Y68 AromaticContact CE1-CD1 3.74Å; Y52-Y68 HydrophobicContact CE1-CD1 3.74Å; Y52-Y68 HydrophobicContact CE1-CG 4.3Å; Y52-Y68 WeakPolarHBondContact CE1-O 3.29Å; Y52-Y68 HydrophobicContact CG-CD1 4.22Å; Q55-Y68 PolarHBondContact NE2-OH 3.37Å; R63-Y68 PolarHBondContact O-OH 2.89Å; T66-Y68 HydrophobicContact CG2-CD1 4.36Å; T66-Y68 HydrophobicContact CG2-CD2 4.37Å; T66-Y68 HydrophobicContact CG2-CE1 4.11Å; T66-Y68 HydrophobicContact CG2-CE2 4.13Å; T66-Y68 HydrophobicContact CG2-CG 4.49Å; T66-Y68 WeakPolarHBondContact O-CD2 3.49Å; T66-Y68 WeakPolarHBondContact O-CE2 3.34Å; T66-Y68 PolarHBondContact O-N 3.38Å; Y68-A73 HydrophobicContact CD1-CB 4.48Å; Y68-F74 WeakPolarHBondContact O-CE2 3.44Å; Y68-Y97 AromaticContact CE1-CZ 3.96Å; Y68-Y97 WeakPolarHBondContact CE1-OH 3.38Å; Y68-Y97 VanDerWaalsContact CZ-OH 3.31Å; Y68-Y97 PolarHBondContact OH-OH 3.05Å; Y68-H102 AromaticContact CE2-ND1 3.6Å; Y68-H102 AromaticContact CZ-ND1 3.8Å; Y68-H102 WeakPolarHBondContact OH-CB 3.41Å; Y68-H102 PolarHBondContact OH-O 3.28Å
69D95.7Very high95.5Very high9 Ų956.4 Ų56.45%0.04828%0.278CS..THydrogen-bonded Turntrans-96.73.9175.7-62.4-94.2000111.8N67 I122 V173 M177N67-D69 PolarHBondContact O-N 3.05Å; N67-D69 PolarHBondContact OD1-N 3.21Å; D69-I122 HydrophobicContact CB-CD1 4.43Å; D69-V173 HydrophobicContact CB-CG1 4.39Å; D69-M177 HydrophobicContact CB-CB 3.63Å; D69-M177 HydrophobicContact CB-CG 3.84Å; D69-M177 WeakPolarHBondContact O-CB 3.32Å
70H97.7Very high95.7Very high40 Ų4054.3 Ų54.319%0.18526%0.262CS..SBendtrans-97.3142.8176.3-171-83.1000111.6N67 F72 A73 M177 F181N67-H70 HydrophobicContact CB-CB 4.24Å; N67-H70 PolarHBondContact O-N 3.26Å; N67-H70 PolarHBondContact OD1-N 2.88Å; H70-F72 AromaticContact CE1-CD1 3.84Å; H70-F72 AromaticContact CE1-CD2 3.26Å; H70-F72 WeakPolarHBondContact CE1-CD2 3.24Å; H70-F72 AromaticContact CE1-CE2 3.59Å; H70-F72 AromaticContact CE1-CG 3.39Å; H70-F72 WeakPolarHBondContact CE1-CG 3.48Å; H70-F72 WeakPolarHBondContact ND1-CB 3.45Å; H70-F72 AromaticContact ND1-CD2 3.57Å; H70-F72 AromaticContact ND1-CG 3.41Å; H70-F72 WeakPolarHBondContact ND1-CG 3.45Å; H70-F72 PolarHBondContact ND1-N 2.74Å; H70-F72 VanDerWaalsContact ND1-N 3.12Å; H70-F72 PolarHBondContact O-N 2.76Å; H70-F72 VanDerWaalsContact O-N 3.08Å; H70-A73 WeakPolarHBondContact O-CB 3.33Å; H70-A73 PolarHBondContact O-N 2.96Å; H70-M177 HydrophobicContact CB-SD 4.06Å; H70-F181 AromaticContact CD2-CE2 3.38Å; H70-F181 WeakPolarHBondContact CD2-CE2 3.41Å; H70-F181 AromaticContact CD2-CZ 3.61Å; H70-F181 AromaticContact NE2-CE2 3.7Å; H70-F181 AromaticContact NE2-CZ 3.37Å; H70-F181 WeakPolarHBondContact NE2-CZ 3.28Å
71P97.7Very high95.9Very high16 Ų1654.7 Ų54.710%0.10427%0.265CS..G310 helixtrans-50.8-38.1-180-30.635.8000114.6A73 F74 L123 E126 F181P71-A73 PolarHBondContact O-N 2.97Å; P71-A73 VanDerWaalsContact O-N 3.1Å; P71-F74 PolarHBondContact O-N 2.88Å; P71-L123 HydrophobicContact CG-CD1 4.25Å; P71-L123 HydrophobicContact CG-CD2 4.47Å; P71-E126 HydrophobicContact CG-CG 3.87Å; P71-F181 HydrophobicContact CG-CB 4.35Å; P71-F181 HydrophobicContact CG-CD1 3.66Å; P71-F181 HydrophobicContact CG-CE1 4Å; P71-F181 HydrophobicContact CG-CG 3.95Å
72F96.3Very high96.2Very high160 Ų16049.6 Ų49.670%0.70224%0.242SC*.G310 helixtrans-60.2-20.5178.8-64.1-15.9000115.8K53 H70 F74K53-F72 WeakPolarHBondContact CD-O 3.3Å; K53-F72 WeakPolarHBondContact CE-O 3.24Å; K53-F72 PolarHBondContact NZ-O 2.79Å; H70-F72 AromaticContact CE1-CD1 3.84Å; H70-F72 AromaticContact CE1-CD2 3.26Å; H70-F72 WeakPolarHBondContact CE1-CD2 3.24Å; H70-F72 AromaticContact CE1-CE2 3.59Å; H70-F72 AromaticContact CE1-CG 3.39Å; H70-F72 WeakPolarHBondContact CE1-CG 3.48Å; H70-F72 WeakPolarHBondContact ND1-CB 3.45Å; H70-F72 AromaticContact ND1-CD2 3.57Å; H70-F72 AromaticContact ND1-CG 3.41Å; H70-F72 WeakPolarHBondContact ND1-CG 3.45Å; H70-F72 PolarHBondContact ND1-N 2.74Å; H70-F72 VanDerWaalsContact ND1-N 3.12Å; H70-F72 PolarHBondContact O-N 2.76Å; H70-F72 VanDerWaalsContact O-N 3.08Å; F72-F74 PolarHBondContact O-N 2.8Å
73A96.7Very high96.4Very high8 Ų845 Ų457%0.06622%0.22CC..G310 helixtrans-71.3-17.6176.100000112.7Y52 K53 N67 Y68 H70 P71Y52-A73 WeakPolarHBondContact CA-O 3.24Å; Y52-A73 HydrophobicContact CD1-CB 4.15Å; Y52-A73 HydrophobicContact CE1-CB 4.34Å; K53-A73 PolarHBondContact N-O 3.24Å; N67-A73 WeakPolarHBondContact O-CB 3.33Å; Y68-A73 HydrophobicContact CD1-CB 4.48Å; H70-A73 WeakPolarHBondContact O-CB 3.33Å; H70-A73 PolarHBondContact O-N 2.96Å; P71-A73 PolarHBondContact O-N 2.97Å; P71-A73 VanDerWaalsContact O-N 3.1Å
74F98Very high96.6Very high5 Ų548 Ų482%0.02223%0.234CC..BIsolated β-bridgetrans-100.9144.1-177-62.9-95.3000111.6H48 Y52 K53 Y68 P71 F72 T76 I122 L123H48-F74 AromaticContact CD2-CD1 3.63Å; H48-F74 AromaticContact CE1-CD1 3.52Å; H48-F74 AromaticContact CE1-CG 3.63Å; H48-F74 AromaticContact CG-CD1 3.77Å; H48-F74 AromaticContact ND1-CD1 3.7Å; H48-F74 AromaticContact ND1-CE1 3.87Å; H48-F74 AromaticContact NE2-CD1 3.5Å; H48-F74 AromaticContact NE2-CG 3.7Å; Y52-F74 HydrophobicContact CD1-CD1 4.09Å; Y52-F74 AromaticContact CD1-CE1 3.86Å; Y52-F74 HydrophobicContact CD1-CE1 3.86Å; Y52-F74 HydrophobicContact CD1-CE2 4.27Å; Y52-F74 HydrophobicContact CD1-CG 4.42Å; Y52-F74 AromaticContact CD1-CZ 3.97Å; Y52-F74 HydrophobicContact CD1-CZ 3.97Å; Y52-F74 HydrophobicContact CE1-CD1 4.11Å; Y52-F74 HydrophobicContact CE1-CD2 4.27Å; Y52-F74 AromaticContact CE1-CE1 3.45Å; Y52-F74 HydrophobicContact CE1-CE1 3.45Å; Y52-F74 VanDerWaalsContact CE1-CE1 3.45Å; Y52-F74 AromaticContact CE1-CE2 3.61Å; Y52-F74 HydrophobicContact CE1-CE2 3.61Å; Y52-F74 HydrophobicContact CE1-CG 4.5Å; Y52-F74 AromaticContact CE1-CZ 3.17Å; Y52-F74 HydrophobicContact CE1-CZ 3.17Å; Y52-F74 HydrophobicContact CE2-CE1 4.34Å; Y52-F74 HydrophobicContact CG-CE1 4.47Å; Y52-F74 AromaticContact CZ-CE1 3.7Å; Y52-F74 AromaticContact CZ-CZ 3.5Å; Y52-F74 WeakPolarHBondContact OH-CZ 3.3Å; K53-F74 VanDerWaalsContact CE-O 3.23Å; K53-F74 WeakPolarHBondContact CE-O 3.41Å; Y68-F74 WeakPolarHBondContact O-CE2 3.44Å; P71-F74 PolarHBondContact O-N 2.88Å; F72-F74 PolarHBondContact O-N 2.8Å; F74-T76 VanDerWaalsContact C-N 3.27Å; F74-T76 PolarHBondContact O-N 2.85Å; F74-I122 HydrophobicContact CZ-CD1 4.37Å; F74-I122 HydrophobicContact CZ-CG1 4.26Å; F74-L123 HydrophobicContact CD2-CD1 3.88Å; F74-L123 HydrophobicContact CE2-CD1 3.53Å; F74-L123 HydrophobicContact CZ-CD1 4.41Å
75D98Very high97.1Very high37 Ų3745.3 Ų45.320%0.19822%0.22CC..  trans-91.863.7169.8-166.9-3.1000109.1Y51 K53 D77 L78 L79 R104Y51-D75 WeakPolarHBondContact O-CB 3.48Å; Y51-D75 PolarHBondContact O-N 2.6Å; K53-D75 HydrophobicContact CG-CB 3.95Å; D75-D77 PolarHBondContact O-N 2.82Å; D75-L78 HydrophobicContact CB-CB 4.27Å; D75-L78 VanDerWaalsContact CG-CB 3.43Å; D75-L78 PolarHBondContact O-N 2.8Å; D75-L78 WeakPolarHBondContact OD1-CB 3.27Å; D75-L78 PolarHBondContact OD1-N 2.87Å; D75-L78 WeakPolarHBondContact OD2-CB 3.38Å; D75-L79 PolarHBondContact O-N 2.91Å; D75-L79 VanDerWaalsContact O-N 3.17Å; D75-R104 IonicContact OD2-CZ 2.77Å; D75-R104 IonicContact OD2-NH1 2.78Å; D75-R104 PolarHBondContact OD2-NH1 2.92Å; D75-R104 IonicContact OD2-NH2 3.3Å; D75-R104 PolarHBondContact OD2-NH2 2.81Å
76T98.3Very high97.4Very high17 Ų1738.5 Ų38.510%0.10419%0.19CC..Hα-helixtrans-64.3-25.1-177.6-55.60000111.8H48 F74 L79 I80 D127 L130H48-T76 PolarHBondContact NE2-OG1 2.82Å; F74-T76 VanDerWaalsContact C-N 3.27Å; F74-T76 PolarHBondContact O-N 2.85Å; T76-L79 PolarHBondContact O-N 3.3Å; T76-I80 HydrophobicContact CG2-CD1 4.02Å; T76-I80 HydrophobicContact CG2-CG1 4.39Å; T76-I80 WeakPolarHBondContact O-CB 3.44Å; T76-I80 WeakPolarHBondContact O-CD1 3.42Å; T76-I80 VanDerWaalsContact O-CG1 3.24Å; T76-I80 WeakPolarHBondContact O-CG1 3.37Å; T76-I80 PolarHBondContact O-N 2.79Å; T76-D127 HydrophobicContact CG2-CB 4.14Å; T76-L130 HydrophobicContact CG2-CB 4.5Å; T76-L130 HydrophobicContact CG2-CD2 4.11Å
77D98.5Very high97.6Very high94 Ų9437.5 Ų37.550%0.50319%0.185SC..Hα-helixtrans-63.3-46.4173.3-67.9-33.8000111.2D75 I80 E81 R129D75-D77 PolarHBondContact O-N 2.82Å; D77-I80 PolarHBondContact O-N 3.44Å; D77-E81 PolarHBondContact O-N 3.47Å; D77-R129 IonicContact OD1-CZ 2.6Å; D77-R129 VanDerWaalsContact OD1-CZ 3.22Å; D77-R129 IonicContact OD1-NH1 3.62Å; D77-R129 PolarHBondContact OD1-NH1 3.21Å; D77-R129 IonicContact OD1-NH2 3.81Å; D77-R129 PolarHBondContact OD1-NH2 3.37Å
78L98.7Very high97.7Very high35 Ų3541.1 Ų41.118%0.18320%0.198CC..Hα-helixtrans-63.2-40.4174.4-176.564.6000112.1Y51 D75 I80 E81 H82 P95Y51-L78 HydrophobicContact CD1-CB 4.25Å; Y51-L78 HydrophobicContact CD1-CD2 4.19Å; Y51-L78 HydrophobicContact CD1-CG 4.13Å; Y51-L78 HydrophobicContact CE1-CD2 4.35Å; Y51-L78 HydrophobicContact CE1-CG 4.07Å; D75-L78 HydrophobicContact CB-CB 4.27Å; D75-L78 VanDerWaalsContact CG-CB 3.43Å; D75-L78 PolarHBondContact O-N 2.8Å; D75-L78 WeakPolarHBondContact OD1-CB 3.27Å; D75-L78 PolarHBondContact OD1-N 2.87Å; D75-L78 WeakPolarHBondContact OD2-CB 3.38Å; L78-I80 VanDerWaalsContact C-N 3.34Å; L78-I80 PolarHBondContact O-N 3.36Å; L78-E81 PolarHBondContact O-N 3.02Å; L78-H82 WeakPolarHBondContact CD1-NE2 3.18Å; L78-H82 WeakPolarHBondContact O-CB 3.15Å; L78-H82 PolarHBondContact O-N 3.04Å; L78-P95 HydrophobicContact CD2-CG 4.3Å
79L98.8Very high97.9Very high0 Ų043.2 Ų43.20%021%0.206CC..Hα-helixtrans-60.3-44.1174.5173.260.7000111.6L46 H48 Y51 D75 T76 H82 L83 L119 L130L46-L79 HydrophobicContact CD2-CD1 3.61Å; L46-L79 HydrophobicContact CG-CD1 4.4Å; H48-L79 WeakPolarHBondContact CD2-CD2 3.42Å; Y51-L79 HydrophobicContact CD1-CB 3.72Å; Y51-L79 HydrophobicContact CD2-CB 4.31Å; Y51-L79 HydrophobicContact CD2-CD1 4.04Å; Y51-L79 HydrophobicContact CE1-CB 3.93Å; Y51-L79 HydrophobicContact CE1-CD1 4.24Å; Y51-L79 HydrophobicContact CE2-CD1 3.65Å; Y51-L79 HydrophobicContact CG-CB 3.92Å; Y51-L79 HydrophobicContact CG-CD1 4.49Å; D75-L79 PolarHBondContact O-N 2.91Å; D75-L79 VanDerWaalsContact O-N 3.17Å; T76-L79 PolarHBondContact O-N 3.3Å; L79-H82 PolarHBondContact O-N 2.96Å; L79-L83 HydrophobicContact CD1-CD1 3.97Å; L79-L83 HydrophobicContact CD1-CG 4Å; L79-L83 HydrophobicContact CG-CD1 4.03Å; L79-L83 HydrophobicContact CG-CG 4.48Å; L79-L83 WeakPolarHBondContact O-CB 3.36Å; L79-L83 WeakPolarHBondContact O-CG 3.09Å; L79-L83 PolarHBondContact O-N 2.68Å; L79-L119 HydrophobicContact CD1-CD1 4.11Å; L79-L119 HydrophobicContact CD2-CD1 4.03Å; L79-L119 HydrophobicContact CD2-CD2 4.31Å; L79-L130 HydrophobicContact CD2-CD1 4.11Å; L79-L130 HydrophobicContact CD2-CD2 3.78Å; L79-L130 HydrophobicContact CG-CD1 4.25Å
80I98.8Very high98Very high11 Ų1147.4 Ų47.46%0.05623%0.225CC..Hα-helixtrans-62.6-42.8177.7-75.2165.7000110.9T76 D77 L78 K84 R129 L130 L133T76-I80 HydrophobicContact CG2-CD1 4.02Å; T76-I80 HydrophobicContact CG2-CG1 4.39Å; T76-I80 WeakPolarHBondContact O-CB 3.44Å; T76-I80 WeakPolarHBondContact O-CD1 3.42Å; T76-I80 VanDerWaalsContact O-CG1 3.24Å; T76-I80 WeakPolarHBondContact O-CG1 3.37Å; T76-I80 PolarHBondContact O-N 2.79Å; D77-I80 PolarHBondContact O-N 3.44Å; L78-I80 VanDerWaalsContact C-N 3.34Å; L78-I80 PolarHBondContact O-N 3.36Å; I80-K84 HydrophobicContact CG2-CD 4.14Å; I80-K84 WeakPolarHBondContact O-CB 3.3Å; I80-K84 VanDerWaalsContact O-CG 3.28Å; I80-K84 WeakPolarHBondContact O-CG 3.36Å; I80-K84 PolarHBondContact O-N 3Å; I80-R129 HydrophobicContact CD1-CB 3.75Å; I80-L130 HydrophobicContact CD1-CB 4.46Å; I80-L130 HydrophobicContact CG1-CB 4.36Å; I80-L130 HydrophobicContact CG1-CD1 4.08Å; I80-L133 HydrophobicContact CB-CD1 4.5Å; I80-L133 HydrophobicContact CG1-CD1 4.36Å; I80-L133 HydrophobicContact CG2-CD1 4.17Å
81E98.8Very high98Very high112 Ų11248.1 Ų48.152%0.52324%0.235SC..Hα-helixtrans-58.4-52.5174.2-178.3177.216600110.8D77 L78 L83 K84 D85D77-E81 PolarHBondContact O-N 3.47Å; L78-E81 PolarHBondContact O-N 3.02Å; E81-L83 PolarHBondContact O-N 3.5Å; E81-K84 WeakPolarHBondContact O-CB 3.23Å; E81-K84 PolarHBondContact O-N 3.25Å; E81-K84 VanDerWaalsContact O-N 3.09Å; E81-D85 PolarHBondContact O-N 3.23Å
82H98.8Very high98.1Very high18 Ų1847.8 Ų47.88%0.08323%0.233CC..Hα-helixtrans-60.5-41.9180-76.7-172.1000112.9Y51 L78 L79 K84 D85 L86 V92 E93Y51-H82 HydrophobicContact CE1-CB 4.47Å; Y51-H82 AromaticContact CE1-ND1 3.46Å; Y51-H82 WeakPolarHBondContact CE1-ND1 3.41Å; Y51-H82 AromaticContact CZ-ND1 3.62Å; Y51-H82 PolarHBondContact OH-ND1 2.84Å; L78-H82 WeakPolarHBondContact CD1-NE2 3.18Å; L78-H82 WeakPolarHBondContact O-CB 3.15Å; L78-H82 PolarHBondContact O-N 3.04Å; L79-H82 PolarHBondContact O-N 2.96Å; H82-K84 VanDerWaalsContact C-N 3.33Å; H82-K84 PolarHBondContact O-N 3.37Å; H82-D85 PolarHBondContact O-N 3.26Å; H82-L86 WeakPolarHBondContact O-CB 3.48Å; H82-L86 VanDerWaalsContact O-CG 3.24Å; H82-L86 WeakPolarHBondContact O-CG 3.12Å; H82-L86 PolarHBondContact O-N 2.9Å; H82-V92 HydrophobicContact CB-CB 4.22Å; H82-V92 HydrophobicContact CB-CG1 4.1Å; H82-V92 HydrophobicContact CB-CG2 4.08Å; H82-E93 PolarHBondContact CE1-O 3.27Å
83L98.7Very high98.2Very high0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-64.5-37.3175.7-74171.3000112.4I16 L46 L79 E81 D85 T87 I117 L119 L130 L133I16-L83 HydrophobicContact CD1-CB 4.39Å; I16-L83 HydrophobicContact CD1-CD2 4.12Å; L46-L83 HydrophobicContact CD2-CD2 3.9Å; L46-L83 HydrophobicContact CD2-CG 4.42Å; L79-L83 HydrophobicContact CD1-CD1 3.97Å; L79-L83 HydrophobicContact CD1-CG 4Å; L79-L83 HydrophobicContact CG-CD1 4.03Å; L79-L83 HydrophobicContact CG-CG 4.48Å; L79-L83 WeakPolarHBondContact O-CB 3.36Å; L79-L83 WeakPolarHBondContact O-CG 3.09Å; L79-L83 PolarHBondContact O-N 2.68Å; E81-L83 PolarHBondContact O-N 3.5Å; L83-D85 VanDerWaalsContact C-N 3.29Å; L83-D85 PolarHBondContact O-N 2.96Å; L83-T87 WeakPolarHBondContact O-CB 3.2Å; L83-T87 VanDerWaalsContact O-CG2 3.26Å; L83-T87 WeakPolarHBondContact O-CG2 3.45Å; L83-T87 PolarHBondContact O-N 3.47Å; L83-T87 PolarHBondContact O-OG1 2.85Å; L83-I117 HydrophobicContact CD2-CD1 4.48Å; L83-I117 HydrophobicContact CD2-CG2 4.07Å; L83-L119 HydrophobicContact CD1-CD2 3.98Å; L83-L130 HydrophobicContact CD1-CD1 3.38Å; L83-L133 HydrophobicContact CB-CD1 4.1Å; L83-L133 HydrophobicContact CD1-CD1 4.31Å
84K98.4Very high98.3Very high98 Ų9845.9 Ų45.943%0.42622%0.224SC..Hα-helixtrans-64.6-34.8174.9-76.5171.4178.4173.30111.9I80 E81 H82 T87 K88 L133I80-K84 HydrophobicContact CG2-CD 4.14Å; I80-K84 WeakPolarHBondContact O-CB 3.3Å; I80-K84 VanDerWaalsContact O-CG 3.28Å; I80-K84 WeakPolarHBondContact O-CG 3.36Å; I80-K84 PolarHBondContact O-N 3Å; E81-K84 WeakPolarHBondContact O-CB 3.23Å; E81-K84 PolarHBondContact O-N 3.25Å; E81-K84 VanDerWaalsContact O-N 3.09Å; H82-K84 VanDerWaalsContact C-N 3.33Å; H82-K84 PolarHBondContact O-N 3.37Å; K84-T87 WeakPolarHBondContact CA-OG1 3.33Å; K84-T87 PolarHBondContact O-OG1 2.92Å; K84-K88 WeakPolarHBondContact O-CD 3.16Å; K84-K88 VanDerWaalsContact O-CE 3.28Å; K84-K88 WeakPolarHBondContact O-CE 3.47Å; K84-K88 VanDerWaalsContact O-CG 3.25Å; K84-K88 WeakPolarHBondContact O-CG 3.48Å; K84-K88 PolarHBondContact O-N 3.07Å; K84-L133 HydrophobicContact CG-CD1 4.48Å; K84-L133 HydrophobicContact CG-CD2 4.33Å
85D98.5Very high98.3Very high39 Ų3946 Ų4621%0.20923%0.226CC..Hα-helixtrans-80.3-40.6179.2-72-6.7000111.7E81 H82 L83 T87 K88 Y89 Q90 V92E81-D85 PolarHBondContact O-N 3.23Å; H82-D85 PolarHBondContact O-N 3.26Å; L83-D85 VanDerWaalsContact C-N 3.29Å; L83-D85 PolarHBondContact O-N 2.96Å; D85-T87 VanDerWaalsContact C-N 3.28Å; D85-T87 PolarHBondContact O-N 2.82Å; D85-K88 CarbonylContact O-C 3.56Å; D85-K88 WeakPolarHBondContact O-CA 3.24Å; D85-K88 WeakPolarHBondContact O-CB 3.38Å; D85-K88 PolarHBondContact O-N 3.44Å; D85-K88 IonicContact OD1-NZ 2.72Å; D85-K88 PolarHBondContact OD1-NZ 3.11Å; D85-Y89 PolarHBondContact O-N 2.74Å; D85-Q90 CarbonylContact C-O 3.35Å; D85-Q90 HydrophobicContact CB-CB 4.12Å; D85-Q90 WeakPolarHBondContact O-CB 3.24Å; D85-Q90 PolarHBondContact O-N 3Å; D85-Q90 PolarHBondContact OD1-OE1 2.94Å; D85-V92 HydrophobicContact CB-CG1 3.94Å
86L98.3Very high98.2Very high0 Ų047 Ų470%023%0.231CC..Hα-helixtrans-57.7-40.5171.2-72.5168000111.7M44 L46 H82 K88 Y89 V92 Q111 P113 I117M44-L86 HydrophobicContact CE-CD1 3.99Å; M44-L86 HydrophobicContact SD-CD1 4.47Å; M44-L86 HydrophobicContact SD-CD2 4.33Å; L46-L86 HydrophobicContact CD2-CD1 4.27Å; H82-L86 WeakPolarHBondContact O-CB 3.48Å; H82-L86 VanDerWaalsContact O-CG 3.24Å; H82-L86 WeakPolarHBondContact O-CG 3.12Å; H82-L86 PolarHBondContact O-N 2.9Å; L86-K88 PolarHBondContact O-N 3.13Å; L86-Y89 PolarHBondContact O-N 2.7Å; L86-V92 HydrophobicContact CD1-CG2 4.01Å; L86-V92 HydrophobicContact CD2-CG1 4.48Å; L86-V92 HydrophobicContact CD2-CG2 4.02Å; L86-V92 HydrophobicContact CG-CG1 4.11Å; L86-V92 HydrophobicContact CG-CG2 3.96Å; L86-Q111 HydrophobicContact CD2-CG 4.12Å; L86-P113 HydrophobicContact CD2-CB 4.16Å; L86-I117 HydrophobicContact CB-CD1 3.9Å; L86-I117 HydrophobicContact CD1-CD1 4.49Å
87T97Very high98.1Very high20 Ų2047.1 Ų47.112%0.12323%0.229CC..THydrogen-bonded Turntrans-70.2-15.1175.651.70000114.1P14 I16 L83 K84 D85 Y89P14-T87 HydrophobicContact CB-CG2 4.32Å; P14-T87 VanDerWaalsContact CD-O 3.3Å; P14-T87 WeakPolarHBondContact CD-O 3.37Å; I16-T87 HydrophobicContact CD1-CG2 3.62Å; I16-T87 HydrophobicContact CG1-CG2 4.23Å; L83-T87 WeakPolarHBondContact O-CB 3.2Å; L83-T87 VanDerWaalsContact O-CG2 3.26Å; L83-T87 WeakPolarHBondContact O-CG2 3.45Å; L83-T87 PolarHBondContact O-N 3.47Å; L83-T87 PolarHBondContact O-OG1 2.85Å; K84-T87 WeakPolarHBondContact CA-OG1 3.33Å; K84-T87 PolarHBondContact O-OG1 2.92Å; D85-T87 VanDerWaalsContact C-N 3.28Å; D85-T87 PolarHBondContact O-N 2.82Å; T87-Y89 VanDerWaalsContact C-N 3.35Å
88K96.8Very high97.9Very high125 Ų12545.5 Ų45.554%0.54322%0.221SC..THydrogen-bonded Turntrans-94.510.9169-62.9165.9-155.5151.80112.6K84 D85 L86 Q90K84-K88 WeakPolarHBondContact O-CD 3.16Å; K84-K88 VanDerWaalsContact O-CE 3.28Å; K84-K88 WeakPolarHBondContact O-CE 3.47Å; K84-K88 VanDerWaalsContact O-CG 3.25Å; K84-K88 WeakPolarHBondContact O-CG 3.48Å; K84-K88 PolarHBondContact O-N 3.07Å; D85-K88 CarbonylContact O-C 3.56Å; D85-K88 WeakPolarHBondContact O-CA 3.24Å; D85-K88 WeakPolarHBondContact O-CB 3.38Å; D85-K88 PolarHBondContact O-N 3.44Å; D85-K88 IonicContact OD1-NZ 2.72Å; D85-K88 PolarHBondContact OD1-NZ 3.11Å; L86-K88 PolarHBondContact O-N 3.13Å; K88-Q90 VanDerWaalsContact C-N 3.34Å; K88-Q90 HydrophobicContact CB-CG 4.29Å
89Y96.7Very high97.4Very high64 Ų6447.9 Ų47.925%0.25123%0.228SC..THydrogen-bonded Turntrans58.141.8-173.3-68.6-83.3000113.9K11 N12 P14 D85 L86 T87 P113 E115K11-Y89 HydrophobicContact CB-CD2 4.24Å; K11-Y89 HydrophobicContact CB-CE2 3.43Å; K11-Y89 VanDerWaalsContact CB-CE2 3.43Å; K11-Y89 HydrophobicContact CD-CD1 4.24Å; K11-Y89 HydrophobicContact CD-CE1 3.73Å; K11-Y89 HydrophobicContact CD-CE2 4.03Å; K11-Y89 HydrophobicContact CG-CE2 4.38Å; N12-Y89 WeakPolarHBondContact O-CE2 3.39Å; N12-Y89 PolarHBondContact O-OH 3.21Å; P14-Y89 HydrophobicContact CG-CD2 4.48Å; P14-Y89 HydrophobicContact CG-CE1 4.12Å; P14-Y89 HydrophobicContact CG-CE2 3.96Å; D85-Y89 PolarHBondContact O-N 2.74Å; L86-Y89 PolarHBondContact O-N 2.7Å; T87-Y89 VanDerWaalsContact C-N 3.35Å; Y89-P113 HydrophobicContact CD1-CB 3.93Å; Y89-P113 HydrophobicContact CD1-CG 4.11Å; Y89-P113 HydrophobicContact CG-CB 4.48Å; Y89-E115 HydrophobicContact CE1-CG 4.49Å; Y89-E115 WeakPolarHBondContact OH-CG 3.5Å
90Q98.2Very high96.9Very high96 Ų9653.6 Ų53.645%0.44926%0.263SS..  trans-110134.7171.6-61.6172.2-47.400109.3D85 K88D85-Q90 CarbonylContact C-O 3.35Å; D85-Q90 HydrophobicContact CB-CB 4.12Å; D85-Q90 WeakPolarHBondContact O-CB 3.24Å; D85-Q90 PolarHBondContact O-N 3Å; D85-Q90 PolarHBondContact OD1-OE1 2.94Å; K88-Q90 VanDerWaalsContact C-N 3.34Å; K88-Q90 HydrophobicContact CB-CG 4.29Å
91S98.4Very high96.4Very high56 Ų5654.5 Ų54.539%0.39227%0.271SS..  trans-71.4150.3175-49.90000110.7Q111 E112 P113S91-Q111 WeakPolarHBondContact CA-O 3.43Å; S91-E112 WeakPolarHBondContact CB-OE1 3.37Å; S91-E112 PolarHBondContact OG-OE1 2.93Å; S91-E112 PolarHBondContact OG-OE2 3.38Å; S91-E112 VanDerWaalsContact OG-OE2 3.1Å; S91-P113 WeakPolarHBondContact OG-CD 3.41Å
92V98.7Very high96Very high9 Ų951.3 Ų51.36%0.05526%0.257CS..EExtended strand (participates in β ladder)trans-130.4154.4-178.4-57.80000110.8H82 D85 L86 V94 V110 Q111H82-V92 HydrophobicContact CB-CB 4.22Å; H82-V92 HydrophobicContact CB-CG1 4.1Å; H82-V92 HydrophobicContact CB-CG2 4.08Å; D85-V92 HydrophobicContact CB-CG1 3.94Å; L86-V92 HydrophobicContact CD1-CG2 4.01Å; L86-V92 HydrophobicContact CD2-CG1 4.48Å; L86-V92 HydrophobicContact CD2-CG2 4.02Å; L86-V92 HydrophobicContact CG-CG1 4.11Å; L86-V92 HydrophobicContact CG-CG2 3.96Å; V92-V94 HydrophobicContact CG2-CG2 3.87Å; V92-V110 WeakPolarHBondContact O-CA 3.26Å; V92-Q111 HydrophobicContact CG2-CB 4.01Å; V92-Q111 PolarHBondContact N-O 3.21Å; V92-Q111 VanDerWaalsContact N-O 3.15Å; V92-Q111 PolarHBondContact O-N 3Å
93E98.5Very high95.9Very high127 Ų12751 Ų5159%0.59326%0.256SS*.EExtended strand (participates in β ladder)trans-95.795.6175.9-71.7-173.8161.800109.8H82 V108 V110H82-E93 PolarHBondContact CE1-O 3.27Å; E93-V108 HydrophobicContact CB-CB 4.09Å; E93-V108 HydrophobicContact CB-CG1 4.46Å; E93-V108 HydrophobicContact CB-CG2 3.88Å; E93-V108 HydrophobicContact CG-CG2 4.09Å; E93-V110 HydrophobicContact CG-CG2 4.47Å
94V98.6Very high95.8Very high0 Ų053.2 Ų53.20%026%0.264CS..EExtended strand (participates in β ladder)trans-77.3127.6-177.2-176.30000109.7L46 Y51 V92 V108 Y109 Q111L46-V94 HydrophobicContact CD1-CG1 4.11Å; L46-V94 HydrophobicContact CD1-CG2 3.85Å; Y51-V94 HydrophobicContact CE2-CG1 3.98Å; V92-V94 HydrophobicContact CG2-CG2 3.87Å; V94-V108 VanDerWaalsContact O-CA 3.3Å; V94-V108 WeakPolarHBondContact O-CA 3.3Å; V94-V108 WeakPolarHBondContact O-CB 3.4Å; V94-Y109 HydrophobicContact CB-CD1 4.02Å; V94-Y109 HydrophobicContact CB-CD2 4.37Å; V94-Y109 HydrophobicContact CB-CE1 3.53Å; V94-Y109 HydrophobicContact CB-CE2 3.91Å; V94-Y109 HydrophobicContact CB-CG 4.43Å; V94-Y109 VanDerWaalsContact CB-CZ 3.46Å; V94-Y109 HydrophobicContact CG1-CD1 4.41Å; V94-Y109 HydrophobicContact CG1-CE1 3.53Å; V94-Y109 HydrophobicContact CG1-CE2 4.48Å; V94-Y109 WeakPolarHBondContact CG1-OH 3.37Å; V94-Y109 HydrophobicContact CG2-CE1 4.45Å; V94-Y109 HydrophobicContact CG2-CE2 4Å; V94-Y109 PolarHBondContact N-O 3.31Å; V94-Y109 PolarHBondContact O-N 2.91Å; V94-Q111 HydrophobicContact CG2-CB 3.63Å; V94-Q111 HydrophobicContact CG2-CG 4.41Å
95P98.3Very high95.6Very high8 Ų850.3 Ų50.35%0.05226%0.256CS..EExtended strand (participates in β ladder)trans-62.1145.2176.222.4-32.2000112.5S50 Y51 L78 R104S50-P95 VanDerWaalsContact CB-O 3.28Å; S50-P95 WeakPolarHBondContact CB-O 3.4Å; S50-P95 VanDerWaalsContact O-CG 3.29Å; S50-P95 WeakPolarHBondContact O-CG 3.2Å; S50-P95 PolarHBondContact OG-O 3.06Å; Y51-P95 HydrophobicContact CD1-CG 4.31Å; Y51-P95 HydrophobicContact CE1-CG 4.46Å; L78-P95 HydrophobicContact CD2-CG 4.3Å; P95-R104 HydrophobicContact CB-CG 4.45Å
96I97.4Very high95.5Very high59 Ų5953.8 Ų53.830%0.30329%0.291SS..EExtended strand (participates in β ladder)trans-98.5124.5169.8-63174.6000108.2S105 E107 Y109I96-S105 PolarHBondContact O-N 2.97Å; I96-S105 PolarHBondContact O-OG 3.09Å; I96-E107 HydrophobicContact CD1-CB 3.99Å; I96-E107 PolarHBondContact N-O 3.43Å; I96-Y109 HydrophobicContact CD1-CD1 4.41Å; I96-Y109 HydrophobicContact CG1-CD1 3.95Å
97Y95.8Very high95.4Very high18 Ų1860.3 Ų60.37%0.07132%0.321CS..EExtended strand (participates in β ladder)trans-91.8126.5177.2-173.4-104.4000111.3Y52 Y68 Y99 H102Y52-Y97 VanDerWaalsContact CB-CD2 3.46Å; Y52-Y97 VanDerWaalsContact CB-CE2 3.42Å; Y52-Y97 AromaticContact CD2-CD1 3.66Å; Y52-Y97 HydrophobicContact CD2-CD1 3.66Å; Y52-Y97 AromaticContact CD2-CD2 3.99Å; Y52-Y97 HydrophobicContact CD2-CD2 3.99Å; Y52-Y97 AromaticContact CD2-CE1 3.72Å; Y52-Y97 HydrophobicContact CD2-CE1 3.72Å; Y52-Y97 HydrophobicContact CD2-CE2 4.04Å; Y52-Y97 AromaticContact CD2-CG 3.79Å; Y52-Y97 HydrophobicContact CD2-CG 3.79Å; Y52-Y97 AromaticContact CD2-CZ 3.91Å; Y52-Y97 HydrophobicContact CE2-CD1 4.34Å; Y52-Y97 HydrophobicContact CE2-CE1 4.3Å; Y52-Y97 HydrophobicContact CG-CD2 4.16Å; Y52-Y97 HydrophobicContact CG-CE1 4.41Å; Y52-Y97 HydrophobicContact CG-CE2 4Å; Y52-Y97 HydrophobicContact CG-CG 4.41Å; Y68-Y97 AromaticContact CE1-CZ 3.96Å; Y68-Y97 WeakPolarHBondContact CE1-OH 3.38Å; Y68-Y97 VanDerWaalsContact CZ-OH 3.31Å; Y68-Y97 PolarHBondContact OH-OH 3.05Å; Y97-Y99 AromaticContact CD1-CD1 3.81Å; Y97-Y99 HydrophobicContact CD1-CD1 3.81Å; Y97-Y99 HydrophobicContact CD1-CD2 4.06Å; Y97-Y99 AromaticContact CD1-CE1 3.81Å; Y97-Y99 HydrophobicContact CD1-CE1 3.81Å; Y97-Y99 HydrophobicContact CD1-CE2 4.06Å; Y97-Y99 AromaticContact CD1-CG 3.94Å; Y97-Y99 HydrophobicContact CD1-CG 3.94Å; Y97-Y99 AromaticContact CD1-CZ 3.95Å; Y97-Y99 AromaticContact CE1-CD1 3.7Å; Y97-Y99 HydrophobicContact CE1-CD1 3.7Å; Y97-Y99 AromaticContact CE1-CE1 3.98Å; Y97-Y99 HydrophobicContact CE1-CE1 3.98Å; Y97-Y99 HydrophobicContact CE1-CG 4.08Å; Y97-H102 VanDerWaalsContact OH-C 3.22Å; Y97-H102 WeakPolarHBondContact OH-CA 3.37Å; Y97-H102 PolarHBondContact OH-O 2.97Å
98D93Very high95.4Very high61 Ų6162.7 Ų62.733%0.32634%0.335SS..EExtended strand (participates in β ladder)trans-93.1105175.1-175.3-17.6000109.9V100 A101 H102 T103D98-V100 PolarHBondContact O-N 3.1Å; D98-V100 WeakPolarHBondContact OD1-CA 3.03Å; D98-V100 WeakPolarHBondContact OD1-CB 3.49Å; D98-V100 PolarHBondContact OD1-N 2.76Å; D98-A101 HydrophobicContact CB-CB 3.98Å; D98-A101 VanDerWaalsContact CG-CB 3.49Å; D98-A101 PolarHBondContact O-N 3.41Å; D98-A101 PolarHBondContact OD1-N 2.81Å; D98-A101 WeakPolarHBondContact OD2-CB 3.46Å; D98-H102 WeakPolarHBondContact O-CA 3.4Å; D98-H102 PolarHBondContact O-N 3.06Å; D98-T103 WeakPolarHBondContact CB-O 3.29Å; D98-T103 PolarHBondContact N-O 3.09Å; D98-T103 PolarHBondContact O-N 2.84Å
99Y88.7Confident95.5Very high84 Ų8460.4 Ų60.433%0.32932%0.324SS..THydrogen-bonded Turntrans-68.2-20.3178.3-68.9-84.7000114D49 Y52 Y97D49-Y99 WeakPolarHBondContact CB-OH 3.33Å; D49-Y99 PolarHBondContact OD2-OH 3.14Å; Y52-Y99 HydrophobicContact CE2-CE1 4.4Å; Y97-Y99 AromaticContact CD1-CD1 3.81Å; Y97-Y99 HydrophobicContact CD1-CD1 3.81Å; Y97-Y99 HydrophobicContact CD1-CD2 4.06Å; Y97-Y99 AromaticContact CD1-CE1 3.81Å; Y97-Y99 HydrophobicContact CD1-CE1 3.81Å; Y97-Y99 HydrophobicContact CD1-CE2 4.06Å; Y97-Y99 AromaticContact CD1-CG 3.94Å; Y97-Y99 HydrophobicContact CD1-CG 3.94Å; Y97-Y99 AromaticContact CD1-CZ 3.95Å; Y97-Y99 AromaticContact CE1-CD1 3.7Å; Y97-Y99 HydrophobicContact CE1-CD1 3.7Å; Y97-Y99 AromaticContact CE1-CE1 3.98Å; Y97-Y99 HydrophobicContact CE1-CE1 3.98Å; Y97-Y99 HydrophobicContact CE1-CG 4.08Å
100V87.7Confident95.6Very high121 Ų12161.5 Ų61.573%0.73334%0.337SS*.THydrogen-bonded Turntrans-83.7-43.8176.9-179.60000109.8F60 D98 H102F60-V100 WeakPolarHBondContact CE2-O 3.38Å; D98-V100 PolarHBondContact O-N 3.1Å; D98-V100 WeakPolarHBondContact OD1-CA 3.03Å; D98-V100 WeakPolarHBondContact OD1-CB 3.49Å; D98-V100 PolarHBondContact OD1-N 2.76Å; V100-H102 VanDerWaalsContact C-N 3.28Å
101A89.9Confident95.6Very high29 Ų2958.2 Ų58.224%0.2432%0.322CS..THydrogen-bonded Turntrans-81.4-7.5177.900000113.9R63 D98 T103R63-A101 PolarHBondContact NH1-O 2.66Å; D98-A101 HydrophobicContact CB-CB 3.98Å; D98-A101 VanDerWaalsContact CG-CB 3.49Å; D98-A101 PolarHBondContact O-N 3.41Å; D98-A101 PolarHBondContact OD1-N 2.81Å; D98-A101 WeakPolarHBondContact OD2-CB 3.46Å; A101-T103 HydrophobicContact CB-CG2 4.11Å; A101-T103 PolarHBondContact O-N 3.25Å
102H90.2Very high95.6Very high46 Ų4660.3 Ų60.321%0.21333%0.325CS..THydrogen-bonded Turntrans56.233.7-179.9-79.6-91.9000113.1F60 R63 Y68 Y97 D98 V100F60-H102 HydrophobicContact CE2-CB 4.49Å; F60-H102 AromaticContact CE2-CD2 4Å; R63-H102 HydrophobicContact CB-CB 3.87Å; Y68-H102 AromaticContact CE2-ND1 3.6Å; Y68-H102 AromaticContact CZ-ND1 3.8Å; Y68-H102 WeakPolarHBondContact OH-CB 3.41Å; Y68-H102 PolarHBondContact OH-O 3.28Å; Y97-H102 VanDerWaalsContact OH-C 3.22Å; Y97-H102 WeakPolarHBondContact OH-CA 3.37Å; Y97-H102 PolarHBondContact OH-O 2.97Å; D98-H102 WeakPolarHBondContact O-CA 3.4Å; D98-H102 PolarHBondContact O-N 3.06Å; V100-H102 VanDerWaalsContact C-N 3.28Å
103T95.3Very high95.5Very high10 Ų1061 Ų616%0.06133%0.33CS..EExtended strand (participates in β ladder)trans-158.4170.7-177.8-162.10000111D54 Q55 S56 R63 D98 A101D54-T103 PolarHBondContact OD1-OG1 3.47Å; Q55-T103 WeakPolarHBondContact CA-OG1 3.37Å; Q55-T103 PolarHBondContact N-OG1 2.9Å; S56-T103 PolarHBondContact N-OG1 2.95Å; S56-T103 VanDerWaalsContact N-OG1 3.15Å; R63-T103 VanDerWaalsContact NH1-CG2 3.32Å; D98-T103 WeakPolarHBondContact CB-O 3.29Å; D98-T103 PolarHBondContact N-O 3.09Å; D98-T103 PolarHBondContact O-N 2.84Å; A101-T103 HydrophobicContact CB-CG2 4.11Å; A101-T103 PolarHBondContact O-N 3.25Å
104R96.7Very high95.4Very high47 Ų4758.3 Ų58.318%0.17732%0.316CS..EExtended strand (participates in β ladder)trans-63.1141.1172.3-67.9-171.4-176.8162.60.4110.9Y52 D54 D75 P95Y52-R104 PolarHBondContact O-NE 2.89Å; Y52-R104 PolarHBondContact O-NH2 3.21Å; D54-R104 HydrophobicContact CB-CB 4.28Å; D54-R104 HydrophobicContact CB-CG 4.17Å; D75-R104 IonicContact OD2-CZ 2.77Å; D75-R104 IonicContact OD2-NH1 2.78Å; D75-R104 PolarHBondContact OD2-NH1 2.92Å; D75-R104 IonicContact OD2-NH2 3.3Å; D75-R104 PolarHBondContact OD2-NH2 2.81Å; P95-R104 HydrophobicContact CB-CG 4.45Å
105S95.7Very high95.2Very high37 Ų3761.3 Ų61.326%0.25933%0.33SS..EExtended strand (participates in β ladder)trans-72.8169.216782.40000110I96 E107I96-S105 PolarHBondContact O-N 2.97Å; I96-S105 PolarHBondContact O-OG 3.09Å; S105-E107 PolarHBondContact O-N 3.31Å; S105-E107 PolarHBondContact OG-N 2.94Å; S105-E107 PolarHBondContact OG-O 3.41Å
106A94.9Very high95.1Very high113 Ų11361 Ų6193%0.93433%0.328SS*.EExtended strand (participates in β ladder)trans-75-2.7170.400000112.8
107E97Very high95.1Very high136 Ų13658.1 Ų58.164%0.63631%0.314SS*.EExtended strand (participates in β ladder)trans-101.3148.2-175.9-61.2179.9-178.900111I96 S105I96-E107 HydrophobicContact CD1-CB 3.99Å; I96-E107 PolarHBondContact N-O 3.43Å; S105-E107 PolarHBondContact O-N 3.31Å; S105-E107 PolarHBondContact OG-N 2.94Å; S105-E107 PolarHBondContact OG-O 3.41Å
108V97.9Very high95.3Very high70 Ų7057.3 Ų57.342%0.42431%0.31SS..EExtended strand (participates in β ladder)trans-129.2158.4171.9-60.30000107.8E93 V94E93-V108 HydrophobicContact CB-CB 4.09Å; E93-V108 HydrophobicContact CB-CG1 4.46Å; E93-V108 HydrophobicContact CB-CG2 3.88Å; E93-V108 HydrophobicContact CG-CG2 4.09Å; V94-V108 VanDerWaalsContact O-CA 3.3Å; V94-V108 WeakPolarHBondContact O-CA 3.3Å; V94-V108 WeakPolarHBondContact O-CB 3.4Å
109Y97.9Very high95.5Very high77 Ų7754.4 Ų54.430%0.30230%0.295SS..EExtended strand (participates in β ladder)trans-115.3142.5165.171.2-89.6000110.2V94 I96 Q111V94-Y109 HydrophobicContact CB-CD1 4.02Å; V94-Y109 HydrophobicContact CB-CD2 4.37Å; V94-Y109 HydrophobicContact CB-CE1 3.53Å; V94-Y109 HydrophobicContact CB-CE2 3.91Å; V94-Y109 HydrophobicContact CB-CG 4.43Å; V94-Y109 VanDerWaalsContact CB-CZ 3.46Å; V94-Y109 HydrophobicContact CG1-CD1 4.41Å; V94-Y109 HydrophobicContact CG1-CE1 3.53Å; V94-Y109 HydrophobicContact CG1-CE2 4.48Å; V94-Y109 WeakPolarHBondContact CG1-OH 3.37Å; V94-Y109 HydrophobicContact CG2-CE1 4.45Å; V94-Y109 HydrophobicContact CG2-CE2 4Å; V94-Y109 PolarHBondContact N-O 3.31Å; V94-Y109 PolarHBondContact O-N 2.91Å; I96-Y109 HydrophobicContact CD1-CD1 4.41Å; I96-Y109 HydrophobicContact CG1-CD1 3.95Å; Y109-Q111 HydrophobicContact CD2-CB 4.39Å; Y109-Q111 HydrophobicContact CE2-CB 3.97Å; Y109-Q111 PolarHBondContact O-N 3.3Å
110V98.4Very high96Very high88 Ų8850.7 Ų50.753%0.53328%0.281SS..EExtended strand (participates in β ladder)trans-78.8118176.1-1790000108.6V92 E93V92-V110 WeakPolarHBondContact O-CA 3.26Å; E93-V110 HydrophobicContact CG-CG2 4.47Å
111Q98.4Very high96.5Very high27 Ų2745 Ų4513%0.12625%0.246CC..EExtended strand (participates in β ladder)trans-98.3110.1174.2-179.956.469.300109.7M44 L86 S91 V92 V94 Y109M44-Q111 HydrophobicContact CE-CG 3.23Å; M44-Q111 HydrophobicContact SD-CG 3.83Å; M44-Q111 PolarHBondContact SD-NE2 3.44Å; M44-Q111 VanDerWaalsContact SD-NE2 3.39Å; L86-Q111 HydrophobicContact CD2-CG 4.12Å; S91-Q111 WeakPolarHBondContact CA-O 3.43Å; V92-Q111 HydrophobicContact CG2-CB 4.01Å; V92-Q111 PolarHBondContact N-O 3.21Å; V92-Q111 VanDerWaalsContact N-O 3.15Å; V92-Q111 PolarHBondContact O-N 3Å; V94-Q111 HydrophobicContact CG2-CB 3.63Å; V94-Q111 HydrophobicContact CG2-CG 4.41Å; Y109-Q111 HydrophobicContact CD2-CB 4.39Å; Y109-Q111 HydrophobicContact CE2-CB 3.97Å; Y109-Q111 PolarHBondContact O-N 3.3Å
112E97.8Very high96.9Very high100 Ų10044 Ų4447%0.46724%0.236SC..  trans-71.3141.2173.1-67.6-63.1120.700110.8S91S91-E112 WeakPolarHBondContact CB-OE1 3.37Å; S91-E112 PolarHBondContact OG-OE1 2.93Å; S91-E112 PolarHBondContact OG-OE2 3.38Å; S91-E112 VanDerWaalsContact OG-OE2 3.1Å
113P96.8Very high97.3Very high22 Ų2242 Ų4214%0.14323%0.227CC..  trans-66142.8179.130.4-37.7000111.7L86 Y89 S91L86-P113 HydrophobicContact CD2-CB 4.16Å; Y89-P113 HydrophobicContact CD1-CB 3.93Å; Y89-P113 HydrophobicContact CD1-CG 4.11Å; Y89-P113 HydrophobicContact CG-CB 4.48Å; S91-P113 WeakPolarHBondContact OG-CD 3.41Å
114K96Very high97.4Very high71 Ų7141.5 Ų41.531%0.30923%0.225SC..  trans-126.3168.2176.5-60.1-60.9-179.2178.70111P14 S42 M44P14-K114 VanDerWaalsContact CB-O 3.24Å; P14-K114 WeakPolarHBondContact CB-O 3.44Å; P14-K114 VanDerWaalsContact CG-O 3.24Å; P14-K114 WeakPolarHBondContact CG-O 3.31Å; S42-K114 WeakPolarHBondContact OG-CA 3.47Å; M44-K114 HydrophobicContact CB-CB 4.2Å; M44-K114 HydrophobicContact CB-CG 3.63Å; M44-K114 HydrophobicContact CG-CB 3.81Å; M44-K114 HydrophobicContact CG-CG 3.74Å; M44-K114 HydrophobicContact SD-CB 4.2Å; M44-K114 HydrophobicContact SD-CG 4.04Å
115E94.9Very high97.5Very high63 Ų6339.3 Ų39.329%0.29422%0.216SC..SBendtrans-77.8-26.4178.9-71.4161.7-171.500112.3K11 P14 I15 S42 Y89 L214K11-E115 IonicContact NZ-OE1 3.63Å; P14-E115 CarbonylContact C-O 3.57Å; P14-E115 VanDerWaalsContact CA-O 3.24Å; P14-E115 WeakPolarHBondContact CA-O 3.43Å; I15-E115 PolarHBondContact N-O 3.27Å; S42-E115 PolarHBondContact O-N 3.09Å; S42-E115 PolarHBondContact OG-N 3.27Å; S42-E115 VanDerWaalsContact OG-N 3.07Å; Y89-E115 HydrophobicContact CE1-CG 4.49Å; Y89-E115 WeakPolarHBondContact OH-CG 3.5Å; E115-L214 HydrophobicContact CB-CD2 4.04Å
116V96.6Very high97.6Very high1 Ų141 Ų411%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-126.1130.1173.5179.10000109.8I15 I17 S42 I43 M44 V210 L214I15-V116 WeakPolarHBondContact O-CA 3.3Å; I17-V116 HydrophobicContact CD1-CG1 3.71Å; I17-V116 HydrophobicContact CG1-CG1 4.42Å; S42-V116 PolarHBondContact O-N 3.26Å; I43-V116 CarbonylContact C-O 3.53Å; I43-V116 WeakPolarHBondContact CA-O 3.24Å; I43-V116 HydrophobicContact CB-CB 4.24Å; I43-V116 HydrophobicContact CD1-CB 4.04Å; I43-V116 HydrophobicContact CD1-CG1 3.68Å; I43-V116 HydrophobicContact CG1-CB 3.86Å; I43-V116 HydrophobicContact CG1-CG1 3.86Å; M44-V116 PolarHBondContact N-O 2.64Å; V116-V210 HydrophobicContact CG1-CG1 4.03Å; V116-V210 HydrophobicContact CG2-CG1 3.94Å; V116-L214 HydrophobicContact CG2-CD1 4.29Å; V116-L214 HydrophobicContact CG2-CD2 3.74Å; V116-L214 HydrophobicContact CG2-CG 3.99Å
117I98.2Very high97.8Very high0 Ų036.9 Ų36.90%018%0.182CC..EExtended strand (participates in β ladder)trans-116.3113.1177.8-57.8170.1000107.7P14 I15 I16 I17 M44 L46 L83 L86P14-I117 HydrophobicContact CB-CD1 4.15Å; I15-I117 PolarHBondContact O-N 2.79Å; I16-I117 WeakPolarHBondContact CA-O 3.39Å; I16-I117 HydrophobicContact CG1-CB 4.22Å; I16-I117 HydrophobicContact CG1-CD1 4.12Å; I17-I117 PolarHBondContact N-O 2.91Å; M44-I117 HydrophobicContact CE-CG2 4.23Å; M44-I117 HydrophobicContact CG-CB 4.33Å; M44-I117 HydrophobicContact CG-CG1 3.98Å; M44-I117 HydrophobicContact CG-CG2 4.38Å; M44-I117 HydrophobicContact SD-CG1 3.95Å; L46-I117 HydrophobicContact CB-CG2 4.41Å; L83-I117 HydrophobicContact CD2-CD1 4.48Å; L83-I117 HydrophobicContact CD2-CG2 4.07Å; L86-I117 HydrophobicContact CB-CD1 3.9Å; L86-I117 HydrophobicContact CD1-CD1 4.49Å
118I98.4Very high97.9Very high0 Ų036.2 Ų36.20%018%0.179CC..EExtended strand (participates in β ladder)trans-89.3103.1167.8-56.5175.7000107.6I17 V19 I34 I43 M44 M45 L46I17-I118 CarbonylContact O-C 3.6Å; I17-I118 WeakPolarHBondContact O-CA 3.33Å; V19-I118 HydrophobicContact CG2-CG2 3.84Å; I34-I118 HydrophobicContact CB-CD1 4.08Å; I34-I118 HydrophobicContact CG2-CD1 3.86Å; I43-I118 HydrophobicContact CD1-CD1 3.86Å; I43-I118 HydrophobicContact CD1-CG1 4.19Å; I43-I118 HydrophobicContact CG1-CD1 4.33Å; I43-I118 HydrophobicContact CG1-CG1 4.41Å; M44-I118 PolarHBondContact O-N 3.39Å; M45-I118 CarbonylContact C-O 3.55Å; M45-I118 WeakPolarHBondContact CA-O 3.46Å; M45-I118 HydrophobicContact CG-CB 4.33Å; L46-I118 PolarHBondContact N-O 3.46Å
119L98.8Very high97.9Very high0 Ų038.7 Ų38.70%018%0.181CC..EExtended strand (participates in β ladder)trans-89.3121.8172.8170.463000109.1I16 I17 G18 V19 L46 L79 L83 I124 L130 M134I16-L119 HydrophobicContact CG2-CB 4.39Å; I17-L119 PolarHBondContact O-N 2.84Å; G18-L119 CarbonylContact C-O 3.59Å; G18-L119 WeakPolarHBondContact CA-O 3.2Å; V19-L119 PolarHBondContact N-O 3.02Å; L46-L119 HydrophobicContact CB-CD1 4.46Å; L46-L119 CarbonylContact O-C 3.45Å; L46-L119 WeakPolarHBondContact O-CA 3.31Å; L79-L119 HydrophobicContact CD1-CD1 4.11Å; L79-L119 HydrophobicContact CD2-CD1 4.03Å; L79-L119 HydrophobicContact CD2-CD2 4.31Å; L83-L119 HydrophobicContact CD1-CD2 3.98Å; L119-I124 HydrophobicContact CD1-CG2 4.25Å; L119-I124 HydrophobicContact CD2-CB 4.27Å; L119-I124 HydrophobicContact CD2-CG2 4.2Å; L119-I124 HydrophobicContact CG-CB 4.45Å; L119-I124 HydrophobicContact CG-CD1 4.21Å; L119-I124 HydrophobicContact CG-CG2 4.04Å; L119-I124 VanDerWaalsContact O-CD1 3.29Å; L119-I124 WeakPolarHBondContact O-CD1 3.29Å; L119-L130 HydrophobicContact CD2-CD1 3.95Å; L119-L130 HydrophobicContact CD2-CD2 4.23Å; L119-L130 HydrophobicContact CD2-CG 4.26Å; L119-M134 HydrophobicContact CD2-CE 3.76Å
120E98.2Very high97.9Very high7 Ų735 Ų353%0.03317%0.167CC..EExtended strand (participates in β ladder)trans-119.9148.8175.370.8167.5-124.600113.5V19 T28 S31 L46 E47 H48V19-E120 HydrophobicContact CB-CB 4.45Å; V19-E120 WeakPolarHBondContact O-CA 3.42Å; T28-E120 VanDerWaalsContact CA-OE2 3.23Å; T28-E120 WeakPolarHBondContact CA-OE2 3.3Å; T28-E120 WeakPolarHBondContact CB-OE1 3.48Å; T28-E120 WeakPolarHBondContact CG2-OE1 3.44Å; T28-E120 PolarHBondContact OG1-OE1 2.84Å; S31-E120 WeakPolarHBondContact CB-OE2 3.43Å; S31-E120 PolarHBondContact OG-OE2 3.36Å; L46-E120 PolarHBondContact O-N 3.09Å; E47-E120 HydrophobicContact CG-CG 4.03Å; H48-E120 WeakPolarHBondContact CB-O 3.28Å; H48-E120 PolarHBondContact N-O 3.22Å
121G98.3Very high98Very high1 Ų132.3 Ų32.31%0.0115%0.147CC..  trans168.1162.517600000111.8V19 T20 K27 L123V19-G121 PolarHBondContact O-N 3.49Å; T20-G121 WeakPolarHBondContact CA-O 3.4Å; T20-G121 PolarHBondContact OG1-O 3.49Å; T20-G121 VanDerWaalsContact OG1-O 3.09Å; K27-G121 VanDerWaalsContact CE-C 3.45Å; G121-L123 VanDerWaalsContact C-N 3.35Å
122I98.2Very high98Very high7 Ų736.9 Ų36.94%0.03617%0.172CC..SBendtrans-73.6-26.2-176.752.9161.7000113.3T20 D69 F74 I182T20-I122 PolarHBondContact OG1-O 3.05Å; D69-I122 HydrophobicContact CB-CD1 4.43Å; F74-I122 HydrophobicContact CZ-CD1 4.37Å; F74-I122 HydrophobicContact CZ-CG1 4.26Å; I122-I182 HydrophobicContact CB-CD1 3.9Å; I122-I182 HydrophobicContact CD1-CD1 4.17Å; I122-I182 WeakPolarHBondContact O-CG1 3Å; I122-I182 WeakPolarHBondContact O-CG2 3.29Å
123L98.2Very high98Very high5 Ų533.3 Ų33.33%0.02616%0.156CC..SBendtrans-121.312.9-171.7-69170.4000113.7P71 F74 G121 L125 E126 F181 I182P71-L123 HydrophobicContact CG-CD1 4.25Å; P71-L123 HydrophobicContact CG-CD2 4.47Å; F74-L123 HydrophobicContact CD2-CD1 3.88Å; F74-L123 HydrophobicContact CE2-CD1 3.53Å; F74-L123 HydrophobicContact CZ-CD1 4.41Å; G121-L123 VanDerWaalsContact C-N 3.35Å; L123-L125 PolarHBondContact O-N 3.49Å; L123-E126 HydrophobicContact CB-CB 4.39Å; L123-E126 HydrophobicContact CD2-CB 4.36Å; L123-E126 VanDerWaalsContact O-CB 3.3Å; L123-E126 WeakPolarHBondContact O-CB 3.42Å; L123-E126 PolarHBondContact O-N 2.97Å; L123-F181 HydrophobicContact CD2-CB 3.53Å; L123-I182 HydrophobicContact CD2-CG1 3.65Å; L123-I182 HydrophobicContact CG-CG1 4.38Å
124I98.6Very high98.1Very high0 Ų032.7 Ų32.70%015%0.152CC..THydrogen-bonded Turntrans-65.5-16.3-173.762.6170.3000113.6H48 L119 L130 M134H48-I124 HydrophobicContact CB-CG2 3.63Å; L119-I124 HydrophobicContact CD1-CG2 4.25Å; L119-I124 HydrophobicContact CD2-CB 4.27Å; L119-I124 HydrophobicContact CD2-CG2 4.2Å; L119-I124 HydrophobicContact CG-CB 4.45Å; L119-I124 HydrophobicContact CG-CD1 4.21Å; L119-I124 HydrophobicContact CG-CG2 4.04Å; L119-I124 VanDerWaalsContact O-CD1 3.29Å; L119-I124 WeakPolarHBondContact O-CD1 3.29Å; I124-L130 HydrophobicContact CB-CD2 4.09Å; I124-L130 HydrophobicContact CG2-CD2 4.44Å; I124-L130 WeakPolarHBondContact O-CD2 3.23Å; I124-M134 HydrophobicContact CB-CE 3.89Å; I124-M134 HydrophobicContact CD1-CE 4.22Å; I124-M134 HydrophobicContact CG1-CE 4.17Å; I124-M134 WeakPolarHBondContact O-CE 3.28Å
125L98.7Very high98.1Very high0 Ų032.9 Ų32.90%016%0.156CC..THydrogen-bonded Turntrans-100.34.8175.5-59.7-167000113.3T20 L123 R131 M134 K137 T185 A189T20-L125 HydrophobicContact CG2-CB 4.46Å; T20-L125 HydrophobicContact CG2-CD1 3.42Å; T20-L125 VanDerWaalsContact CG2-CD1 3.42Å; T20-L125 HydrophobicContact CG2-CG 3.65Å; L123-L125 PolarHBondContact O-N 3.49Å; L125-R131 HydrophobicContact CB-CG 4.45Å; L125-R131 HydrophobicContact CD2-CG 4.23Å; L125-R131 WeakPolarHBondContact O-CD 3.23Å; L125-R131 PolarHBondContact O-NH1 3.1Å; L125-M134 HydrophobicContact CD2-CE 3.93Å; L125-M134 HydrophobicContact CD2-SD 3.6Å; L125-M134 VanDerWaalsContact CD2-SD 3.6Å; L125-K137 HydrophobicContact CD1-CB 4.34Å; L125-K137 HydrophobicContact CD2-CB 4.05Å; L125-K137 HydrophobicContact CD2-CD 4.14Å; L125-K137 HydrophobicContact CD2-CG 3.72Å; L125-T185 HydrophobicContact CB-CG2 4.27Å; L125-A189 HydrophobicContact CD1-CB 4.44Å
126E98.3Very high98.3Very high73 Ų7330.7 Ų30.734%0.34115%0.146SC..THydrogen-bonded Turntrans-76.4-48.3-179.7-169.8-81.1155.200111.3P71 L123 R131 F181 T185P71-E126 HydrophobicContact CG-CG 3.87Å; L123-E126 HydrophobicContact CB-CB 4.39Å; L123-E126 HydrophobicContact CD2-CB 4.36Å; L123-E126 VanDerWaalsContact O-CB 3.3Å; L123-E126 WeakPolarHBondContact O-CB 3.42Å; L123-E126 PolarHBondContact O-N 2.97Å; E126-R131 PolarHBondContact O-NH1 3.46Å; E126-F181 HydrophobicContact CG-CD1 4.36Å; E126-T185 HydrophobicContact CB-CG2 4.32Å
127D98.4Very high98.4Very high27 Ų2732.1 Ų32.114%0.14415%0.152CC..SBendtrans-81.1123.5178.5-166.8-40.4000111.9T76 R129 L130 R131T76-D127 HydrophobicContact CG2-CB 4.14Å; D127-R129 VanDerWaalsContact C-N 3.3Å; D127-R129 PolarHBondContact O-N 3.42Å; D127-R129 VanDerWaalsContact OD1-CB 3.22Å; D127-R129 WeakPolarHBondContact OD1-CB 3.34Å; D127-R129 WeakPolarHBondContact OD1-CG 3.22Å; D127-R129 IonicContact OD1-CZ 3.22Å; D127-R129 PolarHBondContact OD1-N 3.09Å; D127-R129 IonicContact OD1-NE 3.3Å; D127-R129 PolarHBondContact OD1-NE 2.78Å; D127-R129 VanDerWaalsContact OD1-NE 3.08Å; D127-R129 IonicContact OD2-CZ 3.88Å; D127-R129 VanDerWaalsContact OD2-CZ 3.3Å; D127-R129 IonicContact OD2-NE 2.76Å; D127-R129 PolarHBondContact OD2-NE 2.83Å; D127-R129 VanDerWaalsContact OD2-NE 3.13Å; D127-R129 IonicContact OD2-NH2 3.5Å; D127-R129 PolarHBondContact OD2-NH2 3.08Å; D127-L130 HydrophobicContact CB-CB 4.2Å; D127-L130 PolarHBondContact O-N 3.04Å; D127-R131 WeakPolarHBondContact O-CG 3.48Å; D127-R131 PolarHBondContact O-N 3.2Å; D127-R131 VanDerWaalsContact O-N 3.1Å
128E98.5Very high98.4Very high122 Ų12232.1 Ų32.157%0.5715%0.152SC*.Hα-helixtrans-58.2-40177.7-170.2170.3-16500113.1L130 R131 D132E128-L130 PolarHBondContact O-N 3.26Å; E128-R131 VanDerWaalsContact CA-CZ 3.47Å; E128-R131 VanDerWaalsContact CA-NH2 3.3Å; E128-R131 WeakPolarHBondContact O-CB 3.46Å; E128-R131 PolarHBondContact O-N 3.38Å; E128-R131 VanDerWaalsContact O-N 3.09Å; E128-D132 VanDerWaalsContact O-CG 3.28Å; E128-D132 PolarHBondContact O-N 3.01Å
129R98.7Very high98.4Very high122 Ų12232.1 Ų32.146%0.4615%0.152SC..Hα-helixtrans-63.5-33.4-178.6-54.1172-65.31613.2111.1D77 I80 D127D77-R129 IonicContact OD1-CZ 2.6Å; D77-R129 VanDerWaalsContact OD1-CZ 3.22Å; D77-R129 IonicContact OD1-NH1 3.62Å; D77-R129 PolarHBondContact OD1-NH1 3.21Å; D77-R129 IonicContact OD1-NH2 3.81Å; D77-R129 PolarHBondContact OD1-NH2 3.37Å; I80-R129 HydrophobicContact CD1-CB 3.75Å; D127-R129 VanDerWaalsContact C-N 3.3Å; D127-R129 PolarHBondContact O-N 3.42Å; D127-R129 VanDerWaalsContact OD1-CB 3.22Å; D127-R129 WeakPolarHBondContact OD1-CB 3.34Å; D127-R129 WeakPolarHBondContact OD1-CG 3.22Å; D127-R129 IonicContact OD1-CZ 3.22Å; D127-R129 PolarHBondContact OD1-N 3.09Å; D127-R129 IonicContact OD1-NE 3.3Å; D127-R129 PolarHBondContact OD1-NE 2.78Å; D127-R129 VanDerWaalsContact OD1-NE 3.08Å; D127-R129 IonicContact OD2-CZ 3.88Å; D127-R129 VanDerWaalsContact OD2-CZ 3.3Å; D127-R129 IonicContact OD2-NE 2.76Å; D127-R129 PolarHBondContact OD2-NE 2.83Å; D127-R129 VanDerWaalsContact OD2-NE 3.13Å; D127-R129 IonicContact OD2-NH2 3.5Å; D127-R129 PolarHBondContact OD2-NH2 3.08Å
130L98.6Very high98.4Very high0 Ų032.2 Ų32.20%015%0.152CC..Hα-helixtrans-76.6-39.1176.5-171.658.6000110.9T76 L79 I80 L83 L119 I124 D127 E128 D132 L133 M134T76-L130 HydrophobicContact CG2-CB 4.5Å; T76-L130 HydrophobicContact CG2-CD2 4.11Å; L79-L130 HydrophobicContact CD2-CD1 4.11Å; L79-L130 HydrophobicContact CD2-CD2 3.78Å; L79-L130 HydrophobicContact CG-CD1 4.25Å; I80-L130 HydrophobicContact CD1-CB 4.46Å; I80-L130 HydrophobicContact CG1-CB 4.36Å; I80-L130 HydrophobicContact CG1-CD1 4.08Å; L83-L130 HydrophobicContact CD1-CD1 3.38Å; L119-L130 HydrophobicContact CD2-CD1 3.95Å; L119-L130 HydrophobicContact CD2-CD2 4.23Å; L119-L130 HydrophobicContact CD2-CG 4.26Å; I124-L130 HydrophobicContact CB-CD2 4.09Å; I124-L130 HydrophobicContact CG2-CD2 4.44Å; I124-L130 WeakPolarHBondContact O-CD2 3.23Å; D127-L130 HydrophobicContact CB-CB 4.2Å; D127-L130 PolarHBondContact O-N 3.04Å; E128-L130 PolarHBondContact O-N 3.26Å; L130-D132 VanDerWaalsContact C-N 3.32Å; L130-D132 PolarHBondContact O-N 3.34Å; L130-L133 PolarHBondContact O-N 3.1Å; L130-M134 HydrophobicContact CD1-CE 4.45Å; L130-M134 HydrophobicContact CD2-CE 4.22Å; L130-M134 HydrophobicContact CG-CE 3.69Å; L130-M134 WeakPolarHBondContact O-CG 3.24Å
131R98.6Very high98.4Very high30 Ų3034.3 Ų34.311%0.11316%0.164CC..Hα-helixtrans-59.1-41.7173.4-67-166.7-63.6-89.50.4112.4L125 E126 D127 E128 L133 M134 K137L125-R131 HydrophobicContact CB-CG 4.45Å; L125-R131 HydrophobicContact CD2-CG 4.23Å; L125-R131 WeakPolarHBondContact O-CD 3.23Å; L125-R131 PolarHBondContact O-NH1 3.1Å; E126-R131 PolarHBondContact O-NH1 3.46Å; D127-R131 WeakPolarHBondContact O-CG 3.48Å; D127-R131 PolarHBondContact O-N 3.2Å; D127-R131 VanDerWaalsContact O-N 3.1Å; E128-R131 VanDerWaalsContact CA-CZ 3.47Å; E128-R131 VanDerWaalsContact CA-NH2 3.3Å; E128-R131 WeakPolarHBondContact O-CB 3.46Å; E128-R131 PolarHBondContact O-N 3.38Å; E128-R131 VanDerWaalsContact O-N 3.09Å; R131-L133 PolarHBondContact O-N 3.02Å; R131-M134 PolarHBondContact O-N 3.35Å; R131-K137 HydrophobicContact CB-CD 4.4Å
132D98.5Very high98.3Very high124 Ų12434.9 Ų34.966%0.66317%0.167SC*.THydrogen-bonded Turntrans-64.7-19.6-179.5-70.6-14.5000113.3E128 L130E128-D132 VanDerWaalsContact O-CG 3.28Å; E128-D132 PolarHBondContact O-N 3.01Å; L130-D132 VanDerWaalsContact C-N 3.32Å; L130-D132 PolarHBondContact O-N 3.34Å
133L98.4Very high98.2Very high25 Ų2540.1 Ų40.113%0.13120%0.195CC..THydrogen-bonded Turntrans-82.9-18.5173.1-64.3176.7000112.9I16 I80 L83 K84 L130 R131I16-L133 HydrophobicContact CD1-CB 4.23Å; I16-L133 WeakPolarHBondContact CD1-O 3.3Å; I80-L133 HydrophobicContact CB-CD1 4.5Å; I80-L133 HydrophobicContact CG1-CD1 4.36Å; I80-L133 HydrophobicContact CG2-CD1 4.17Å; L83-L133 HydrophobicContact CB-CD1 4.1Å; L83-L133 HydrophobicContact CD1-CD1 4.31Å; K84-L133 HydrophobicContact CG-CD1 4.48Å; K84-L133 HydrophobicContact CG-CD2 4.33Å; L130-L133 PolarHBondContact O-N 3.1Å; R131-L133 PolarHBondContact O-N 3.02Å
134M98.5Very high98.1Very high9 Ų942.3 Ų42.34%0.04421%0.207CC..  trans-91.5128.4-173.7-56.9-178.3-161.100113.1I16 G18 L119 I124 L125 L130 R131 K137I16-M134 HydrophobicContact CG2-CB 4.4Å; I16-M134 HydrophobicContact CG2-CG 3.96Å; G18-M134 VanDerWaalsContact CA-SD 3.58Å; L119-M134 HydrophobicContact CD2-CE 3.76Å; I124-M134 HydrophobicContact CB-CE 3.89Å; I124-M134 HydrophobicContact CD1-CE 4.22Å; I124-M134 HydrophobicContact CG1-CE 4.17Å; I124-M134 WeakPolarHBondContact O-CE 3.28Å; L125-M134 HydrophobicContact CD2-CE 3.93Å; L125-M134 HydrophobicContact CD2-SD 3.6Å; L125-M134 VanDerWaalsContact CD2-SD 3.6Å; L130-M134 HydrophobicContact CD1-CE 4.45Å; L130-M134 HydrophobicContact CD2-CE 4.22Å; L130-M134 HydrophobicContact CG-CE 3.69Å; L130-M134 WeakPolarHBondContact O-CG 3.24Å; R131-M134 PolarHBondContact O-N 3.35Å; M134-K137 HydrophobicContact CB-CD 4.24Å; M134-K137 HydrophobicContact CB-CG 3.83Å; M134-K137 HydrophobicContact CG-CG 4.45Å; M134-K137 PolarHBondContact O-NZ 3.45Å; M134-K137 HydrophobicContact SD-CD 4.47Å; M134-K137 HydrophobicContact SD-CG 3.74Å
135D97.4Very high98Very high75 Ų7546.7 Ų46.740%0.40123%0.23SC..SBendtrans-81.4-33.2176-53.5-78.4000112.3I15 I16I15-D135 WeakPolarHBondContact CA-OD2 3.49Å; I15-D135 HydrophobicContact CG2-CB 3.92Å; I16-D135 PolarHBondContact N-OD2 3.27Å; I16-D135 PolarHBondContact O-N 3.45Å
136I97.8Very high97.8Very high17 Ų1749.7 Ų49.79%0.08725%0.246CC..EExtended strand (participates in β ladder)trans-132.5128.9176.2-57.6168.2000109.4I16 I17 G18 I138 I191 K209 F213I16-I136 PolarHBondContact O-N 2.86Å; I17-I136 CarbonylContact C-O 3.55Å; I17-I136 WeakPolarHBondContact CA-O 3.41Å; I17-I136 HydrophobicContact CG1-CB 4.39Å; I17-I136 HydrophobicContact CG1-CD1 4.28Å; I17-I136 HydrophobicContact CG2-CB 4.27Å; I17-I136 HydrophobicContact CG2-CG2 4.42Å; G18-I136 PolarHBondContact N-O 2.85Å; I136-I138 HydrophobicContact CG2-CD1 4.25Å; I136-I138 HydrophobicContact CG2-CG1 4Å; I136-I191 HydrophobicContact CG2-CD1 4.5Å; I136-K209 HydrophobicContact CD1-CG 4.15Å; I136-F213 HydrophobicContact CD1-CE2 3.89Å
137K98.7Very high97.8Very high30 Ų3046.7 Ų46.713%0.1323%0.232CC..EExtended strand (participates in β ladder)trans-116.6113.1179.8-69.5159.1-71.8-49.20109.9L125 R131 M134 A189 D190 I191L125-K137 HydrophobicContact CD1-CB 4.34Å; L125-K137 HydrophobicContact CD2-CB 4.05Å; L125-K137 HydrophobicContact CD2-CD 4.14Å; L125-K137 HydrophobicContact CD2-CG 3.72Å; R131-K137 HydrophobicContact CB-CD 4.4Å; M134-K137 HydrophobicContact CB-CD 4.24Å; M134-K137 HydrophobicContact CB-CG 3.83Å; M134-K137 HydrophobicContact CG-CG 4.45Å; M134-K137 PolarHBondContact O-NZ 3.45Å; M134-K137 HydrophobicContact SD-CD 4.47Å; M134-K137 HydrophobicContact SD-CG 3.74Å; K137-A189 CarbonylContact O-C 3.54Å; K137-A189 WeakPolarHBondContact O-CA 3.46Å; K137-D190 WeakPolarHBondContact CB-OD2 3.42Å; K137-D190 WeakPolarHBondContact CE-OD2 3.47Å; K137-D190 PolarHBondContact N-OD2 2.77Å; K137-D190 IonicContact NZ-OD2 3.21Å; K137-D190 PolarHBondContact NZ-OD2 3.3Å; K137-D190 PolarHBondContact O-N 2.93Å; K137-I191 PolarHBondContact O-N 3.26Å
138I98.6Very high97.7Very high0 Ų046.8 Ų46.80%023%0.231CC..EExtended strand (participates in β ladder)trans-110.3129.2-177.6-62.4162.5000109I17 G18 V19 T20 I34 I136 V140 I191 V193 I206I17-I138 HydrophobicContact CG2-CD1 3.69Å; G18-I138 PolarHBondContact O-N 2.97Å; V19-I138 HydrophobicContact CG1-CG2 4.45Å; V19-I138 HydrophobicContact CG2-CD1 4.28Å; T20-I138 WeakPolarHBondContact CG2-O 3.18Å; T20-I138 PolarHBondContact N-O 3.04Å; I34-I138 HydrophobicContact CD1-CD1 4.35Å; I136-I138 HydrophobicContact CG2-CD1 4.25Å; I136-I138 HydrophobicContact CG2-CG1 4Å; I138-V140 HydrophobicContact CG2-CG2 4.4Å; I138-I191 WeakPolarHBondContact CA-O 3.42Å; I138-I191 HydrophobicContact CG1-CB 4.41Å; I138-V193 HydrophobicContact CG2-CB 4.38Å; I138-V193 HydrophobicContact CG2-CG2 3.64Å; I138-I206 HydrophobicContact CD1-CD1 3.78Å; I138-I206 HydrophobicContact CD1-CG1 4.17Å; I138-I206 HydrophobicContact CD1-CG2 3.91Å; I138-I206 HydrophobicContact CG1-CD1 4.41Å
139Y98.7Very high97.7Very high1 Ų145.5 Ų45.50%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-108120.6169.2-170.2-76.1000110T20 D141 Y178 I182 K186 I191 I192 V193T20-Y139 HydrophobicContact CG2-CD2 3.52Å; T20-Y139 HydrophobicContact CG2-CE2 4.25Å; T20-Y139 HydrophobicContact CG2-CG 4.16Å; Y139-D141 HydrophobicContact CD1-CB 4.18Å; Y139-D141 HydrophobicContact CE1-CB 4.24Å; Y139-Y178 VanDerWaalsContact OH-CE2 3.3Å; Y139-Y178 WeakPolarHBondContact OH-CE2 3.28Å; Y139-Y178 PolarHBondContact OH-OH 2.83Å; Y139-I182 HydrophobicContact CE2-CG2 4.44Å; Y139-K186 HydrophobicContact CD1-CD 4.43Å; Y139-K186 HydrophobicContact CD1-CG 4.17Å; Y139-K186 HydrophobicContact CD2-CB 3.86Å; Y139-K186 HydrophobicContact CD2-CG 4.3Å; Y139-K186 HydrophobicContact CE1-CD 4.45Å; Y139-K186 HydrophobicContact CE1-CG 4.5Å; Y139-K186 HydrophobicContact CE2-CB 3.93Å; Y139-K186 HydrophobicContact CG-CB 4.18Å; Y139-K186 HydrophobicContact CG-CG 4.09Å; Y139-I191 PolarHBondContact N-O 3.31Å; Y139-I192 CarbonylContact O-C 3.57Å; Y139-I192 WeakPolarHBondContact O-CA 3.23Å; Y139-V193 PolarHBondContact O-N 3.4Å
140V98.5Very high97.6Very high1 Ų144.3 Ų44.31%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-87.8114.8174.1-176.30000109.7V19 T20 S25 K27 V30 I138 V193V19-V140 HydrophobicContact CG1-CG2 3.91Å; T20-V140 PolarHBondContact O-N 2.9Å; S25-V140 WeakPolarHBondContact CB-O 3.43Å; S25-V140 WeakPolarHBondContact O-CG1 3.25Å; K27-V140 HydrophobicContact CB-CB 4.42Å; K27-V140 HydrophobicContact CB-CG2 4.21Å; V30-V140 HydrophobicContact CB-CG2 4.1Å; V30-V140 HydrophobicContact CG1-CG2 4.37Å; V30-V140 HydrophobicContact CG2-CG1 4.27Å; V30-V140 HydrophobicContact CG2-CG2 3.81Å; I138-V140 HydrophobicContact CG2-CG2 4.4Å; V140-V193 WeakPolarHBondContact CA-O 3.46Å; V140-V193 HydrophobicContact CG2-CB 4.49Å
141D97.7Very high97.5Very high52 Ų5244.9 Ų44.928%0.27823%0.225SC..EExtended strand (participates in β ladder)trans-103130.6-175.4-156.224.4000111.1Y139 K186 I192 V193 P194 E195Y139-D141 HydrophobicContact CD1-CB 4.18Å; Y139-D141 HydrophobicContact CE1-CB 4.24Å; D141-K186 IonicContact OD1-NZ 3.55Å; D141-K186 PolarHBondContact OD1-NZ 3.31Å; D141-K186 IonicContact OD2-NZ 3.96Å; D141-K186 PolarHBondContact OD2-NZ 3.43Å; D141-I192 HydrophobicContact CB-CG2 3.72Å; D141-V193 PolarHBondContact N-O 3.21Å; D141-P194 CarbonylContact O-C 3.56Å; D141-P194 WeakPolarHBondContact O-CA 3.49Å; D141-E195 PolarHBondContact O-N 3.38Å
142T96.8Very high97.4Very high12 Ų1245.1 Ų45.17%0.07423%0.229CC..  trans-157.4137.1-176.6-60.10000109S25 I146 R147S25-T142 PolarHBondContact O-OG1 3.46Å; T142-I146 HydrophobicContact CG2-CB 3.81Å; T142-I146 HydrophobicContact CG2-CG2 3.68Å; T142-R147 HydrophobicContact CG2-CG 3.82Å; T142-R147 VanDerWaalsContact O-CD 3.29Å; T142-R147 WeakPolarHBondContact O-CD 3.24Å; T142-R147 PolarHBondContact O-NE 3.09Å
143D96.2Very high97.4Very high117 Ų11745.7 Ų45.763%0.62623%0.225SC*.  trans-54.7143.5-179.8-63.5-20.2000112.8D145 I146 R147D143-D145 VanDerWaalsContact C-N 3.26Å; D143-D145 WeakPolarHBondContact CB-OD1 3.31Å; D143-D145 PolarHBondContact O-N 2.9Å; D143-I146 HydrophobicContact CB-CG1 4.4Å; D143-I146 PolarHBondContact O-N 3.23Å; D143-R147 WeakPolarHBondContact O-CG 3.21Å; D143-R147 PolarHBondContact O-N 3.46Å
144D95.3Very high97.2Very high52 Ų5247.1 Ų47.128%0.27823%0.229SC..Hα-helixtrans-55-40.1-174.8-75.821.3000113R147 I148 K175D144-R147 PolarHBondContact O-N 2.93Å; D144-R147 IonicContact OD1-CZ 2.71Å; D144-R147 IonicContact OD1-NE 3.95Å; D144-R147 IonicContact OD1-NH2 3.84Å; D144-R147 PolarHBondContact OD1-NH2 3.36Å; D144-I148 VanDerWaalsContact O-CG2 3.3Å; D144-I148 WeakPolarHBondContact O-CG2 3.39Å; D144-I148 PolarHBondContact O-N 3.09Å; D144-K175 IonicContact OD2-NZ 3.06Å
145D96.3Very high97Very high91 Ų9146.7 Ų46.749%0.48723%0.227SC..Hα-helixtrans-66.1-44.6-178.864.3-25.9000111.5D143 I148 I149D143-D145 VanDerWaalsContact C-N 3.26Å; D143-D145 WeakPolarHBondContact CB-OD1 3.31Å; D143-D145 PolarHBondContact O-N 2.9Å; D145-I148 VanDerWaalsContact O-CG2 3.27Å; D145-I148 WeakPolarHBondContact O-CG2 3.38Å; D145-I149 WeakPolarHBondContact O-CB 3.34Å; D145-I149 WeakPolarHBondContact O-CD1 3.24Å; D145-I149 WeakPolarHBondContact O-CG1 3.48Å; D145-I149 PolarHBondContact O-N 2.84Å
146I96.4Very high96.9Very high63 Ų6346.7 Ų46.732%0.32323%0.225SC..Hα-helixtrans-63.2-44173.9-57.8-52.4000110.5T142 D143 I149 R150T142-I146 HydrophobicContact CG2-CB 3.81Å; T142-I146 HydrophobicContact CG2-CG2 3.68Å; D143-I146 HydrophobicContact CB-CG1 4.4Å; D143-I146 PolarHBondContact O-N 3.23Å; I146-I149 PolarHBondContact O-N 3.03Å; I146-R150 VanDerWaalsContact CG2-CZ 3.45Å; I146-R150 WeakPolarHBondContact O-CB 3.47Å; I146-R150 VanDerWaalsContact O-CG 3.3Å; I146-R150 WeakPolarHBondContact O-CG 3.42Å; I146-R150 PolarHBondContact O-N 3.37Å
147R96.7Very high96.8Very high11 Ų1152 Ų524%0.04225%0.254CS..Hα-helixtrans-61.3-48.1179.2-73.1-166.2-67.1145.7-11.8112.2S23 T142 D143 D144 R150 R151 Y178S23-R147 WeakPolarHBondContact O-CB 3.45Å; T142-R147 HydrophobicContact CG2-CG 3.82Å; T142-R147 VanDerWaalsContact O-CD 3.29Å; T142-R147 WeakPolarHBondContact O-CD 3.24Å; T142-R147 PolarHBondContact O-NE 3.09Å; D143-R147 WeakPolarHBondContact O-CG 3.21Å; D143-R147 PolarHBondContact O-N 3.46Å; D144-R147 PolarHBondContact O-N 2.93Å; D144-R147 IonicContact OD1-CZ 2.71Å; D144-R147 IonicContact OD1-NE 3.95Å; D144-R147 IonicContact OD1-NH2 3.84Å; D144-R147 PolarHBondContact OD1-NH2 3.36Å; R147-R150 PolarHBondContact O-N 3.38Å; R147-R151 WeakPolarHBondContact O-CB 3.39Å; R147-R151 PolarHBondContact O-N 3.26Å; R147-Y178 PolarHBondContact NH2-OH 3.13Å
148I97.2Very high96.4Very high28 Ų2857.7 Ų57.714%0.14428%0.281CS..Hα-helixtrans-68.3-38.3-179.6-17250.2000111.8D144 D145 R150 R151 I152 Y170D144-I148 VanDerWaalsContact O-CG2 3.3Å; D144-I148 WeakPolarHBondContact O-CG2 3.39Å; D144-I148 PolarHBondContact O-N 3.09Å; D145-I148 VanDerWaalsContact O-CG2 3.27Å; D145-I148 WeakPolarHBondContact O-CG2 3.38Å; I148-R150 VanDerWaalsContact C-N 3.35Å; I148-R150 PolarHBondContact O-N 2.91Å; I148-R151 HydrophobicContact CD1-CB 4.35Å; I148-R151 PolarHBondContact O-N 3.24Å; I148-I152 HydrophobicContact CD1-CD1 4.17Å; I148-I152 HydrophobicContact CD1-CG1 4.04Å; I148-I152 HydrophobicContact CG1-CD1 3.9Å; I148-I152 HydrophobicContact CG1-CG1 4.28Å; I148-I152 WeakPolarHBondContact O-CB 3.31Å; I148-I152 VanDerWaalsContact O-CG1 3.31Å; I148-I152 WeakPolarHBondContact O-CG1 3.37Å; I148-I152 PolarHBondContact O-N 3.4Å; I148-Y170 HydrophobicContact CB-CE1 4.48Å; I148-Y170 HydrophobicContact CB-CE2 4.25Å; I148-Y170 HydrophobicContact CD1-CD1 3.97Å; I148-Y170 HydrophobicContact CD1-CD2 3.5Å; I148-Y170 HydrophobicContact CD1-CE1 4.45Å; I148-Y170 HydrophobicContact CD1-CE2 4.03Å; I148-Y170 HydrophobicContact CD1-CG 3.45Å; I148-Y170 VanDerWaalsContact CD1-CG 3.45Å; I148-Y170 HydrophobicContact CG1-CD1 4.11Å; I148-Y170 HydrophobicContact CG1-CD2 4.25Å; I148-Y170 HydrophobicContact CG1-CE1 4.24Å; I148-Y170 HydrophobicContact CG1-CE2 4.36Å; I148-Y170 HydrophobicContact CG1-CG 4.11Å
149I97.5Very high95.9Very high96 Ų9662.2 Ų62.249%0.49230%0.298SS..Hα-helixtrans-60.6-45.4174.8-70.1166.3000110.7D145 I146 I152 K153D145-I149 WeakPolarHBondContact O-CB 3.34Å; D145-I149 WeakPolarHBondContact O-CD1 3.24Å; D145-I149 WeakPolarHBondContact O-CG1 3.48Å; D145-I149 PolarHBondContact O-N 2.84Å; I146-I149 PolarHBondContact O-N 3.03Å; I149-I152 PolarHBondContact O-N 2.84Å; I149-K153 HydrophobicContact CG2-CD 4.39Å; I149-K153 WeakPolarHBondContact O-CG 3.33Å; I149-K153 PolarHBondContact O-N 2.87Å; I149-K153 VanDerWaalsContact O-N 3.09Å
150R96.8Very high95.4Very high97 Ų9765.6 Ų65.637%0.36633%0.333SS..Hα-helixtrans-62.1-43.1175.9-72.4169.9178.2172.60.8111.5G24 S25 I146 R147 I148 K153 R154G24-R150 WeakPolarHBondContact O-CD 3.37Å; G24-R150 PolarHBondContact O-NH1 3.46Å; S25-R150 PolarHBondContact O-NH1 2.94Å; I146-R150 VanDerWaalsContact CG2-CZ 3.45Å; I146-R150 WeakPolarHBondContact O-CB 3.47Å; I146-R150 VanDerWaalsContact O-CG 3.3Å; I146-R150 WeakPolarHBondContact O-CG 3.42Å; I146-R150 PolarHBondContact O-N 3.37Å; R147-R150 PolarHBondContact O-N 3.38Å; I148-R150 VanDerWaalsContact C-N 3.35Å; I148-R150 PolarHBondContact O-N 2.91Å; R150-K153 PolarHBondContact O-N 3.15Å; R150-R154 WeakPolarHBondContact O-CB 3.38Å; R150-R154 PolarHBondContact O-N 3.17Å
151R96.1Very high95.1Very high12 Ų1269.1 Ų69.15%0.04535%0.346CS..Hα-helixtrans-62.1-47.4177-174.5178.4-157.3-84.115112R147 I148 K153 R154 D155 Q169R147-R151 WeakPolarHBondContact O-CB 3.39Å; R147-R151 PolarHBondContact O-N 3.26Å; I148-R151 HydrophobicContact CD1-CB 4.35Å; I148-R151 PolarHBondContact O-N 3.24Å; R151-K153 PolarHBondContact O-N 3.3Å; R151-R154 PolarHBondContact O-N 2.71Å; R151-D155 WeakPolarHBondContact CG-OD2 3.42Å; R151-D155 IonicContact CZ-OD2 3.84Å; R151-D155 IonicContact NE-OD2 3.57Å; R151-D155 IonicContact NH1-OD2 2.74Å; R151-D155 PolarHBondContact NH1-OD2 3.18Å; R151-D155 IonicContact NH2-OD2 2.74Å; R151-D155 VanDerWaalsContact O-CB 3.3Å; R151-D155 WeakPolarHBondContact O-CB 3.43Å; R151-D155 VanDerWaalsContact O-CG 3.29Å; R151-D155 PolarHBondContact O-N 3.49Å; R151-Q169 VanDerWaalsContact NH1-OE1 3.16Å
152I97.9Very high94.9Very high35 Ų3570.7 Ų70.718%0.17936%0.358CS..Hα-helixtrans-56.6-51.9177.5-72.9166.8000110.2I148 I149 R154 D155 M156 L163 V166I148-I152 HydrophobicContact CD1-CD1 4.17Å; I148-I152 HydrophobicContact CD1-CG1 4.04Å; I148-I152 HydrophobicContact CG1-CD1 3.9Å; I148-I152 HydrophobicContact CG1-CG1 4.28Å; I148-I152 WeakPolarHBondContact O-CB 3.31Å; I148-I152 VanDerWaalsContact O-CG1 3.31Å; I148-I152 WeakPolarHBondContact O-CG1 3.37Å; I148-I152 PolarHBondContact O-N 3.4Å; I149-I152 PolarHBondContact O-N 2.84Å; I152-R154 PolarHBondContact O-N 2.85Å; I152-D155 PolarHBondContact O-N 2.71Å; I152-M156 HydrophobicContact CG2-CG 4.35Å; I152-M156 HydrophobicContact CG2-SD 3.61Å; I152-M156 VanDerWaalsContact O-CB 3.29Å; I152-M156 WeakPolarHBondContact O-CB 3.44Å; I152-M156 VanDerWaalsContact O-CG 3.23Å; I152-M156 WeakPolarHBondContact O-CG 3.34Å; I152-M156 PolarHBondContact O-N 3.37Å; I152-L163 HydrophobicContact CD1-CD1 4.03Å; I152-L163 HydrophobicContact CG1-CD1 4.25Å; I152-L163 HydrophobicContact CG2-CD1 3.64Å; I152-V166 HydrophobicContact CB-CG1 4.48Å; I152-V166 HydrophobicContact CG1-CG1 3.68Å
153K97.6Very high95Very high135 Ų13574 Ų7459%0.58738%0.375SS*.Hα-helixtrans-58.5-47.6179.9-72.1179.568177.80112.1I149 R150 R151 N157I149-K153 HydrophobicContact CG2-CD 4.39Å; I149-K153 WeakPolarHBondContact O-CG 3.33Å; I149-K153 PolarHBondContact O-N 2.87Å; I149-K153 VanDerWaalsContact O-N 3.09Å; R150-K153 PolarHBondContact O-N 3.15Å; R151-K153 PolarHBondContact O-N 3.3Å; K153-N157 VanDerWaalsContact O-CB 3.23Å; K153-N157 WeakPolarHBondContact O-CB 3.44Å; K153-N157 PolarHBondContact O-N 3.04Å; K153-N157 PolarHBondContact O-ND2 3.26Å; K153-N157 VanDerWaalsContact O-ND2 3.09Å
154R95.1Very high95.1Very high55 Ų5576 Ų7621%0.20838%0.38CS..Hα-helixtrans-63.3-53.1179.3-177-163.163.7-157.4-5.3111.5R150 R151 I152 M156 N157 E158R150-R154 WeakPolarHBondContact O-CB 3.38Å; R150-R154 PolarHBondContact O-N 3.17Å; R151-R154 PolarHBondContact O-N 2.71Å; I152-R154 PolarHBondContact O-N 2.85Å; R154-M156 VanDerWaalsContact C-N 3.3Å; R154-M156 PolarHBondContact O-N 2.94Å; R154-N157 PolarHBondContact O-N 3.35Å; R154-E158 WeakPolarHBondContact CG-OE2 3.41Å; R154-E158 WeakPolarHBondContact O-CA 3.34Å; R154-E158 VanDerWaalsContact O-CB 3.28Å; R154-E158 WeakPolarHBondContact O-CB 3.42Å; R154-E158 PolarHBondContact O-N 3.36Å
155D93.7Very high95Very high0 Ų075.2 Ų75.20%038%0.379CS..Hα-helixtrans-68-32.2-173-68.6-1.9000111.9R151 I152 R159 G160 R161 V166R151-D155 WeakPolarHBondContact CG-OD2 3.42Å; R151-D155 IonicContact CZ-OD2 3.84Å; R151-D155 IonicContact NE-OD2 3.57Å; R151-D155 IonicContact NH1-OD2 2.74Å; R151-D155 PolarHBondContact NH1-OD2 3.18Å; R151-D155 IonicContact NH2-OD2 2.74Å; R151-D155 VanDerWaalsContact O-CB 3.3Å; R151-D155 WeakPolarHBondContact O-CB 3.43Å; R151-D155 VanDerWaalsContact O-CG 3.29Å; R151-D155 PolarHBondContact O-N 3.49Å; I152-D155 PolarHBondContact O-N 2.71Å; D155-R159 CarbonylContact O-C 3.5Å; D155-R159 WeakPolarHBondContact O-CA 3.28Å; D155-R159 WeakPolarHBondContact O-CB 3.38Å; D155-R159 PolarHBondContact O-N 2.83Å; D155-R159 IonicContact OD1-CZ 2.68Å; D155-R159 IonicContact OD1-NE 3.13Å; D155-R159 IonicContact OD1-NH1 2.81Å; D155-G160 PolarHBondContact O-N 2.74Å; D155-R161 HydrophobicContact CB-CB 4.41Å; D155-R161 WeakPolarHBondContact O-CB 3.47Å; D155-R161 PolarHBondContact O-N 3.13Å; D155-V166 HydrophobicContact CB-CG2 3.79Å
156M95Very high95Very high76 Ų7670.9 Ų70.937%0.37436%0.356SS..Hα-helixtrans-72-48.8173.3-69.5-178.365.100112.3I152 R154 R161 L163I152-M156 HydrophobicContact CG2-CG 4.35Å; I152-M156 HydrophobicContact CG2-SD 3.61Å; I152-M156 VanDerWaalsContact O-CB 3.29Å; I152-M156 WeakPolarHBondContact O-CB 3.44Å; I152-M156 VanDerWaalsContact O-CG 3.23Å; I152-M156 WeakPolarHBondContact O-CG 3.34Å; I152-M156 PolarHBondContact O-N 3.37Å; R154-M156 VanDerWaalsContact C-N 3.3Å; R154-M156 PolarHBondContact O-N 2.94Å; M156-R161 WeakPolarHBondContact CA-O 3.45Å; M156-R161 WeakPolarHBondContact CG-O 3.48Å; M156-L163 HydrophobicContact CE-CB 4.29Å; M156-L163 HydrophobicContact SD-CB 3.95Å; M156-L163 HydrophobicContact SD-CD1 4.22Å
157N95.7Very high95Very high128 Ų12871.4 Ų71.468%0.68436%0.358SS*.Hα-helixtrans-82-33.3-171.2-64.3-26.7000113.6K153 R154K153-N157 VanDerWaalsContact O-CB 3.23Å; K153-N157 WeakPolarHBondContact O-CB 3.44Å; K153-N157 PolarHBondContact O-N 3.04Å; K153-N157 PolarHBondContact O-ND2 3.26Å; K153-N157 VanDerWaalsContact O-ND2 3.09Å; R154-N157 PolarHBondContact O-N 3.35Å
158E91.2Very high95Very high150 Ų15075.5 Ų75.570%0.70138%0.381SS*.Hα-helixtrans-108.5-23.6-171.6-58.6169.4-149.800112.6R154R154-E158 WeakPolarHBondContact CG-OE2 3.41Å; R154-E158 WeakPolarHBondContact O-CA 3.34Å; R154-E158 VanDerWaalsContact O-CB 3.28Å; R154-E158 WeakPolarHBondContact O-CB 3.42Å; R154-E158 PolarHBondContact O-N 3.36Å
159R88.6Confident94.9Very high95 Ų9575.9 Ų75.936%0.35838%0.382SS..Hα-helixtrans-118.25.7-175.3-54.3179.4176.2-174.1-12.4113.9D155 R161D155-R159 CarbonylContact O-C 3.5Å; D155-R159 WeakPolarHBondContact O-CA 3.28Å; D155-R159 WeakPolarHBondContact O-CB 3.38Å; D155-R159 PolarHBondContact O-N 2.83Å; D155-R159 IonicContact OD1-CZ 2.68Å; D155-R159 IonicContact OD1-NE 3.13Å; D155-R159 IonicContact OD1-NH1 2.81Å; R159-R161 VanDerWaalsContact C-N 3.29Å; R159-R161 HydrophobicContact CB-CG 4.37Å; R159-R161 PolarHBondContact O-N 2.68Å
160G88.1Confident94.9Very high72 Ų7272.6 Ų72.674%0.74236%0.364SS*.  trans6622.7173.100000115.4D155D155-G160 PolarHBondContact O-N 2.74Å
161R90.6Very high94.9Very high74 Ų7473.1 Ų73.128%0.27937%0.374SS..  trans-88152.2-177.1-60.6-166.665.4172.8-1.8112.4D155 M156 R159 S165 V166 Q169D155-R161 HydrophobicContact CB-CB 4.41Å; D155-R161 WeakPolarHBondContact O-CB 3.47Å; D155-R161 PolarHBondContact O-N 3.13Å; M156-R161 WeakPolarHBondContact CA-O 3.45Å; M156-R161 WeakPolarHBondContact CG-O 3.48Å; R159-R161 VanDerWaalsContact C-N 3.29Å; R159-R161 HydrophobicContact CB-CG 4.37Å; R159-R161 PolarHBondContact O-N 2.68Å; R161-S165 PolarHBondContact NH2-O 3.03Å; R161-V166 HydrophobicContact CB-CG2 3.84Å; R161-Q169 VanDerWaalsContact NH1-CD 3.35Å
162T95.2Very high94.9Very high86 Ų8676.4 Ų76.453%0.52840%0.395SS..  trans-82.1151.2172.567.60000110.8E164 S165 V166T162-E164 VanDerWaalsContact C-N 3.27Å; T162-E164 PolarHBondContact O-N 2.91Å; T162-S165 PolarHBondContact N-OG 3.32Å; T162-S165 PolarHBondContact O-N 2.88Å; T162-S165 VanDerWaalsContact O-N 3.16Å; T162-S165 PolarHBondContact O-OG 3.32Å; T162-S165 WeakPolarHBondContact OG1-CB 3.47Å; T162-S165 PolarHBondContact OG1-N 2.98Å; T162-S165 PolarHBondContact OG1-OG 3.03Å; T162-V166 WeakPolarHBondContact O-CG2 3.48Å; T162-V166 PolarHBondContact O-N 3.33Å; T162-V166 VanDerWaalsContact O-N 3.1Å
163L97.6Very high94.8Very high81 Ų8176.2 Ų76.242%0.42440%0.395SS..Hα-helixtrans-52.6-46.8175.5177.261000111.7I152 M156 S165 V166 I167I152-L163 HydrophobicContact CD1-CD1 4.03Å; I152-L163 HydrophobicContact CG1-CD1 4.25Å; I152-L163 HydrophobicContact CG2-CD1 3.64Å; M156-L163 HydrophobicContact CE-CB 4.29Å; M156-L163 HydrophobicContact SD-CB 3.95Å; M156-L163 HydrophobicContact SD-CD1 4.22Å; L163-S165 PolarHBondContact O-N 3.31Å; L163-V166 PolarHBondContact O-N 2.81Å; L163-I167 HydrophobicContact CD1-CD1 3.8Å; L163-I167 HydrophobicContact CD1-CG1 4.1Å; L163-I167 HydrophobicContact CD2-CD1 4.41Å; L163-I167 HydrophobicContact CG-CD1 3.75Å; L163-I167 HydrophobicContact CG-CG1 4.42Å; L163-I167 WeakPolarHBondContact O-CG1 3.28Å; L163-I167 PolarHBondContact O-N 3.28Å
164E97.8Very high94.8Very high159 Ų15970 Ų7074%0.74337%0.369SS*.Hα-helixtrans-58.9-46179-172.9170.3-171.300112T162 V166 I167 D168T162-E164 VanDerWaalsContact C-N 3.27Å; T162-E164 PolarHBondContact O-N 2.91Å; E164-V166 VanDerWaalsContact C-N 3.27Å; E164-V166 PolarHBondContact O-N 3.38Å; E164-I167 PolarHBondContact O-N 3.03Å; E164-D168 WeakPolarHBondContact O-CB 3.37Å; E164-D168 PolarHBondContact O-N 3.42Å
165S94.5Very high94.9Very high36 Ų3671 Ų7125%0.25238%0.375SS..Hα-helixtrans-64.2-30.9177.877.20000113.4R161 T162 L163 Q169R161-S165 PolarHBondContact NH2-O 3.03Å; T162-S165 PolarHBondContact N-OG 3.32Å; T162-S165 PolarHBondContact O-N 2.88Å; T162-S165 VanDerWaalsContact O-N 3.16Å; T162-S165 PolarHBondContact O-OG 3.32Å; T162-S165 WeakPolarHBondContact OG1-CB 3.47Å; T162-S165 PolarHBondContact OG1-N 2.98Å; T162-S165 PolarHBondContact OG1-OG 3.03Å; L163-S165 PolarHBondContact O-N 3.31Å; S165-Q169 VanDerWaalsContact O-CB 3.28Å; S165-Q169 WeakPolarHBondContact O-CB 3.37Å; S165-Q169 PolarHBondContact O-N 3.1Å
166V95.6Very high95.1Very high0 Ų073.6 Ų73.60%039%0.391CS..Hα-helixtrans-76.1-42.6178.1175.50000110.4I152 D155 R161 T162 L163 E164 Y170I152-V166 HydrophobicContact CB-CG1 4.48Å; I152-V166 HydrophobicContact CG1-CG1 3.68Å; D155-V166 HydrophobicContact CB-CG2 3.79Å; R161-V166 HydrophobicContact CB-CG2 3.84Å; T162-V166 WeakPolarHBondContact O-CG2 3.48Å; T162-V166 PolarHBondContact O-N 3.33Å; T162-V166 VanDerWaalsContact O-N 3.1Å; L163-V166 PolarHBondContact O-N 2.81Å; E164-V166 VanDerWaalsContact C-N 3.27Å; E164-V166 PolarHBondContact O-N 3.38Å; V166-Y170 VanDerWaalsContact O-CB 3.24Å; V166-Y170 WeakPolarHBondContact O-CB 3.38Å; V166-Y170 PolarHBondContact O-N 3.32Å
167I97.1Very high95.3Very high73 Ų7370.9 Ų70.937%0.37438%0.378SS..Hα-helixtrans-62.7-50.7177.1-69.2171.2000110.3L163 E164 Q169 Y170 L171L163-I167 HydrophobicContact CD1-CD1 3.8Å; L163-I167 HydrophobicContact CD1-CG1 4.1Å; L163-I167 HydrophobicContact CD2-CD1 4.41Å; L163-I167 HydrophobicContact CG-CD1 3.75Å; L163-I167 HydrophobicContact CG-CG1 4.42Å; L163-I167 WeakPolarHBondContact O-CG1 3.28Å; L163-I167 PolarHBondContact O-N 3.28Å; E164-I167 PolarHBondContact O-N 3.03Å; I167-Q169 PolarHBondContact O-N 2.98Å; I167-Y170 PolarHBondContact O-N 2.75Å; I167-Y170 VanDerWaalsContact O-N 3.15Å; I167-L171 HydrophobicContact CG2-CD1 3.89Å; I167-L171 HydrophobicContact CG2-CG 4.43Å; I167-L171 WeakPolarHBondContact O-CG 3.5Å; I167-L171 PolarHBondContact O-N 3.17Å
168D97Very high95.4Very high98 Ų9865.2 Ų65.252%0.52435%0.347SS..Hα-helixtrans-58.7-50.4-179.7178.668.5000111.2E164 Y170 L171 T172E164-D168 WeakPolarHBondContact O-CB 3.37Å; E164-D168 PolarHBondContact O-N 3.42Å; D168-Y170 VanDerWaalsContact C-N 3.28Å; D168-Y170 PolarHBondContact O-N 3.46Å; D168-L171 PolarHBondContact O-N 3.19Å; D168-T172 WeakPolarHBondContact O-CB 3.43Å; D168-T172 WeakPolarHBondContact O-CG2 3.49Å; D168-T172 PolarHBondContact O-N 3.32Å; D168-T172 PolarHBondContact O-OG1 2.91Å
169Q94.9Very high95.7Very high35 Ų3561.8 Ų61.816%0.16433%0.331CS..Hα-helixtrans-61.4-37.2176.7-169.8-170.243.900112.1R151 R161 S165 I167 V173 V174R151-Q169 VanDerWaalsContact NH1-OE1 3.16Å; R161-Q169 VanDerWaalsContact NH1-CD 3.35Å; S165-Q169 VanDerWaalsContact O-CB 3.28Å; S165-Q169 WeakPolarHBondContact O-CB 3.37Å; S165-Q169 PolarHBondContact O-N 3.1Å; I167-Q169 PolarHBondContact O-N 2.98Å; Q169-V173 HydrophobicContact CG-CB 4.17Å; Q169-V173 HydrophobicContact CG-CG2 4.43Å; Q169-V173 WeakPolarHBondContact O-CA 3.37Å; Q169-V173 WeakPolarHBondContact O-CB 3.44Å; Q169-V173 PolarHBondContact O-N 3.32Å; Q169-V174 HydrophobicContact CG-CG2 4.29Å; Q169-V174 PolarHBondContact O-N 2.96Å
170Y96.4Very high96.2Very high27 Ų2762.9 Ų62.911%0.10634%0.34CS..Iπ-helixtrans-64.2-47.1179.1175.8-99.8000111.7I148 V166 I167 D168 V174 K175I148-Y170 HydrophobicContact CB-CE1 4.48Å; I148-Y170 HydrophobicContact CB-CE2 4.25Å; I148-Y170 HydrophobicContact CD1-CD1 3.97Å; I148-Y170 HydrophobicContact CD1-CD2 3.5Å; I148-Y170 HydrophobicContact CD1-CE1 4.45Å; I148-Y170 HydrophobicContact CD1-CE2 4.03Å; I148-Y170 HydrophobicContact CD1-CG 3.45Å; I148-Y170 VanDerWaalsContact CD1-CG 3.45Å; I148-Y170 HydrophobicContact CG1-CD1 4.11Å; I148-Y170 HydrophobicContact CG1-CD2 4.25Å; I148-Y170 HydrophobicContact CG1-CE1 4.24Å; I148-Y170 HydrophobicContact CG1-CE2 4.36Å; I148-Y170 HydrophobicContact CG1-CG 4.11Å; V166-Y170 VanDerWaalsContact O-CB 3.24Å; V166-Y170 WeakPolarHBondContact O-CB 3.38Å; V166-Y170 PolarHBondContact O-N 3.32Å; I167-Y170 PolarHBondContact O-N 2.75Å; I167-Y170 VanDerWaalsContact O-N 3.15Å; D168-Y170 VanDerWaalsContact C-N 3.28Å; D168-Y170 PolarHBondContact O-N 3.46Å; Y170-V174 HydrophobicContact CD2-CB 3.83Å; Y170-V174 HydrophobicContact CD2-CG1 3.94Å; Y170-V174 HydrophobicContact CE2-CG1 4.33Å; Y170-V174 PolarHBondContact O-N 3.26Å; Y170-K175 HydrophobicContact CE1-CB 4.15Å; Y170-K175 HydrophobicContact CE1-CD 4.12Å; Y170-K175 HydrophobicContact CE2-CB 4.22Å; Y170-K175 VanDerWaalsContact O-CB 3.31Å; Y170-K175 WeakPolarHBondContact O-CB 3.37Å; Y170-K175 PolarHBondContact O-N 2.73Å
171L97Very high96.6Very high109 Ų10960.9 Ų60.957%0.57131%0.311SS*.Iπ-helixtrans-68.7-38.3-178.4-67.1175.1000112.4I167 D168 P176I167-L171 HydrophobicContact CG2-CD1 3.89Å; I167-L171 HydrophobicContact CG2-CG 4.43Å; I167-L171 WeakPolarHBondContact O-CG 3.5Å; I167-L171 PolarHBondContact O-N 3.17Å; D168-L171 PolarHBondContact O-N 3.19Å; L171-P176 WeakPolarHBondContact O-CD 3.44Å
172T96.7Very high97Very high81 Ų8157.4 Ų57.450%0.49730%0.298SS..Iπ-helixtrans-91.3-28.1-173.558.40000113.8D168D168-T172 WeakPolarHBondContact O-CB 3.43Å; D168-T172 WeakPolarHBondContact O-CG2 3.49Å; D168-T172 PolarHBondContact O-N 3.32Å; D168-T172 PolarHBondContact O-OG1 2.91Å
173V96.5Very high97.2Very high30 Ų3056.9 Ų56.918%0.18229%0.29CS..Iπ-helixtrans-124.2-63.2-172.5-178.50000112.1N67 D69 Q169 K175 P176 M177N67-V173 HydrophobicContact CB-CG1 4.36Å; N67-V173 VanDerWaalsContact CG-CG1 3.49Å; N67-V173 WeakPolarHBondContact OD1-CG1 3.21Å; D69-V173 HydrophobicContact CB-CG1 4.39Å; Q169-V173 HydrophobicContact CG-CB 4.17Å; Q169-V173 HydrophobicContact CG-CG2 4.43Å; Q169-V173 WeakPolarHBondContact O-CA 3.37Å; Q169-V173 WeakPolarHBondContact O-CB 3.44Å; Q169-V173 PolarHBondContact O-N 3.32Å; V173-K175 PolarHBondContact O-N 3.29Å; V173-P176 WeakPolarHBondContact O-CD 3.04Å; V173-M177 HydrophobicContact CG1-CG 4.25Å; V173-M177 WeakPolarHBondContact O-CB 3.39Å; V173-M177 WeakPolarHBondContact O-CG 3.35Å; V173-M177 PolarHBondContact O-N 3.31Å
174V96.7Very high97.2Very high5 Ų556 Ų563%0.0329%0.289CS..Iπ-helixtrans-63.1-46.7-166.9-1760000111.6Q169 Y170 Y178Q169-V174 HydrophobicContact CG-CG2 4.29Å; Q169-V174 PolarHBondContact O-N 2.96Å; Y170-V174 HydrophobicContact CD2-CB 3.83Å; Y170-V174 HydrophobicContact CD2-CG1 3.94Å; Y170-V174 HydrophobicContact CE2-CG1 4.33Å; Y170-V174 PolarHBondContact O-N 3.26Å; V174-Y178 WeakPolarHBondContact O-CB 3.37Å; V174-Y178 PolarHBondContact O-N 3.49Å
175K97.5Very high97.2Very high77 Ų7748.8 Ų48.834%0.33526%0.255SS..Hα-helixtrans-69-48-178.3-177.8173.9-172.4169.90112.1D144 Y170 V173 M177 Y178 H179D144-K175 IonicContact OD2-NZ 3.06Å; Y170-K175 HydrophobicContact CE1-CB 4.15Å; Y170-K175 HydrophobicContact CE1-CD 4.12Å; Y170-K175 HydrophobicContact CE2-CB 4.22Å; Y170-K175 VanDerWaalsContact O-CB 3.31Å; Y170-K175 WeakPolarHBondContact O-CB 3.37Å; Y170-K175 PolarHBondContact O-N 2.73Å; V173-K175 PolarHBondContact O-N 3.29Å; K175-M177 PolarHBondContact O-N 2.99Å; K175-Y178 WeakPolarHBondContact O-CB 3.35Å; K175-Y178 PolarHBondContact O-N 3.22Å; K175-H179 VanDerWaalsContact CE-NE2 3.3Å; K175-H179 WeakPolarHBondContact CE-NE2 3.46Å; K175-H179 PolarHBondContact O-CD2 3.1Å; K175-H179 PolarHBondContact O-N 2.92Å; K175-H179 VanDerWaalsContact O-N 3.1Å
176P98Very high97.4Very high54 Ų5449.4 Ų49.435%0.35125%0.254SS..Hα-helixtrans-55.6-46.8172-29.136.7000113.7L171 V173 Y178 H179 Q180L171-P176 WeakPolarHBondContact O-CD 3.44Å; V173-P176 WeakPolarHBondContact O-CD 3.04Å; P176-Y178 VanDerWaalsContact C-N 3.32Å; P176-Y178 PolarHBondContact O-N 3.4Å; P176-H179 PolarHBondContact O-N 3.31Å; P176-Q180 WeakPolarHBondContact O-CB 3.45Å; P176-Q180 PolarHBondContact O-N 3.18Å
177M98.1Very high97.5Very high19 Ų1958.8 Ų58.89%0.09429%0.289CS..Hα-helixtrans-66.5-35178.9-66.6-56.194.100112.4N67 D69 H70 V173 K175 Q180 F181N67-M177 WeakPolarHBondContact ND2-CG 3.48Å; N67-M177 PolarHBondContact ND2-SD 2.91Å; D69-M177 HydrophobicContact CB-CB 3.63Å; D69-M177 HydrophobicContact CB-CG 3.84Å; D69-M177 WeakPolarHBondContact O-CB 3.32Å; H70-M177 HydrophobicContact CB-SD 4.06Å; V173-M177 HydrophobicContact CG1-CG 4.25Å; V173-M177 WeakPolarHBondContact O-CB 3.39Å; V173-M177 WeakPolarHBondContact O-CG 3.35Å; V173-M177 PolarHBondContact O-N 3.31Å; K175-M177 PolarHBondContact O-N 2.99Å; M177-Q180 PolarHBondContact O-N 3.16Å; M177-F181 HydrophobicContact CE-CE2 4.17Å; M177-F181 PolarHBondContact O-N 3.15Å; M177-F181 HydrophobicContact SD-CD2 3.75Å; M177-F181 HydrophobicContact SD-CE2 3.59Å; M177-F181 VanDerWaalsContact SD-CE2 3.59Å
178Y98.2Very high97.6Very high8 Ų859.6 Ų59.63%0.03129%0.288CS..Iπ-helixtrans-58.3-52.4172.9173.2-100000111.8Y139 R147 V174 K175 P176 Q180 I182 E183Y139-Y178 VanDerWaalsContact OH-CE2 3.3Å; Y139-Y178 WeakPolarHBondContact OH-CE2 3.28Å; Y139-Y178 PolarHBondContact OH-OH 2.83Å; R147-Y178 PolarHBondContact NH2-OH 3.13Å; V174-Y178 WeakPolarHBondContact O-CB 3.37Å; V174-Y178 PolarHBondContact O-N 3.49Å; K175-Y178 WeakPolarHBondContact O-CB 3.35Å; K175-Y178 PolarHBondContact O-N 3.22Å; P176-Y178 VanDerWaalsContact C-N 3.32Å; P176-Y178 PolarHBondContact O-N 3.4Å; Y178-Q180 VanDerWaalsContact C-N 3.28Å; Y178-Q180 PolarHBondContact O-N 2.87Å; Y178-I182 HydrophobicContact CD2-CB 3.66Å; Y178-I182 HydrophobicContact CD2-CD1 4.1Å; Y178-I182 HydrophobicContact CD2-CG1 4.44Å; Y178-I182 HydrophobicContact CD2-CG2 3.74Å; Y178-I182 HydrophobicContact CE2-CB 4.16Å; Y178-I182 HydrophobicContact CE2-CG2 3.83Å; Y178-I182 HydrophobicContact CG-CB 4.45Å; Y178-I182 CarbonylContact O-C 3.6Å; Y178-I182 WeakPolarHBondContact O-CA 3.37Å; Y178-I182 PolarHBondContact O-N 3.26Å; Y178-E183 HydrophobicContact CD1-CB 4.22Å; Y178-E183 HydrophobicContact CE1-CB 3.69Å; Y178-E183 HydrophobicContact CE1-CG 4.09Å; Y178-E183 HydrophobicContact CE2-CB 4.21Å; Y178-E183 PolarHBondContact O-N 3.28Å
179H98Very high97.7Very high78 Ų7855.9 Ų55.936%0.36127%0.271SS..Iπ-helixtrans-67.2-29.1179.9-68.5-56.2000113K175 P176 E183 P184K175-H179 VanDerWaalsContact CE-NE2 3.3Å; K175-H179 WeakPolarHBondContact CE-NE2 3.46Å; K175-H179 PolarHBondContact O-CD2 3.1Å; K175-H179 PolarHBondContact O-N 2.92Å; K175-H179 VanDerWaalsContact O-N 3.1Å; P176-H179 PolarHBondContact O-N 3.31Å; H179-E183 IonicContact CE1-OE2 3.43Å; H179-E183 IonicContact CG-OE2 3.51Å; H179-E183 IonicContact ND1-OE2 2.76Å; H179-E183 PolarHBondContact ND1-OE2 3.28Å; H179-P184 WeakPolarHBondContact O-CD 3.32Å; H179-P184 VanDerWaalsContact O-CG 3.24Å; H179-P184 WeakPolarHBondContact O-CG 3.46Å
180Q98.1Very high97.8Very high118 Ų11858.8 Ų58.855%0.55129%0.288SS*.Iπ-helixtrans-83.1-42.6-178.3-172.6174-8.600113.3P176 M177 Y178P176-Q180 WeakPolarHBondContact O-CB 3.45Å; P176-Q180 PolarHBondContact O-N 3.18Å; M177-Q180 PolarHBondContact O-N 3.16Å; Y178-Q180 VanDerWaalsContact C-N 3.28Å; Y178-Q180 PolarHBondContact O-N 2.87Å
181F98.3Very high97.8Very high30 Ų3060.8 Ų60.813%0.13230%0.3CS..Iπ-helixtrans-123.5-18.8-166.6-61.5-72.6000114.8H70 P71 L123 E126 M177 T185H70-F181 AromaticContact CD2-CE2 3.38Å; H70-F181 WeakPolarHBondContact CD2-CE2 3.41Å; H70-F181 AromaticContact CD2-CZ 3.61Å; H70-F181 AromaticContact NE2-CE2 3.7Å; H70-F181 AromaticContact NE2-CZ 3.37Å; H70-F181 WeakPolarHBondContact NE2-CZ 3.28Å; P71-F181 HydrophobicContact CG-CB 4.35Å; P71-F181 HydrophobicContact CG-CD1 3.66Å; P71-F181 HydrophobicContact CG-CE1 4Å; P71-F181 HydrophobicContact CG-CG 3.95Å; L123-F181 HydrophobicContact CD2-CB 3.53Å; E126-F181 HydrophobicContact CG-CD1 4.36Å; M177-F181 HydrophobicContact CE-CE2 4.17Å; M177-F181 PolarHBondContact O-N 3.15Å; M177-F181 HydrophobicContact SD-CD2 3.75Å; M177-F181 HydrophobicContact SD-CE2 3.59Å; M177-F181 VanDerWaalsContact SD-CE2 3.59Å; F181-T185 WeakPolarHBondContact O-CG2 3.45Å
182I98.3Very high97.9Very high1 Ų159.5 Ų59.51%0.00529%0.292CS..Iπ-helixtrans-104.8-59.2-175.1-54.6171.9000110.9I122 L123 Y139 Y178 P184 T185I122-I182 HydrophobicContact CB-CD1 3.9Å; I122-I182 HydrophobicContact CD1-CD1 4.17Å; I122-I182 WeakPolarHBondContact O-CG1 3Å; I122-I182 WeakPolarHBondContact O-CG2 3.29Å; L123-I182 HydrophobicContact CD2-CG1 3.65Å; L123-I182 HydrophobicContact CG-CG1 4.38Å; Y139-I182 HydrophobicContact CE2-CG2 4.44Å; Y178-I182 HydrophobicContact CD2-CB 3.66Å; Y178-I182 HydrophobicContact CD2-CD1 4.1Å; Y178-I182 HydrophobicContact CD2-CG1 4.44Å; Y178-I182 HydrophobicContact CD2-CG2 3.74Å; Y178-I182 HydrophobicContact CE2-CB 4.16Å; Y178-I182 HydrophobicContact CE2-CG2 3.83Å; Y178-I182 HydrophobicContact CG-CB 4.45Å; Y178-I182 CarbonylContact O-C 3.6Å; Y178-I182 WeakPolarHBondContact O-CA 3.37Å; Y178-I182 PolarHBondContact O-N 3.26Å; I182-P184 VanDerWaalsContact C-CD 3.49Å; I182-T185 WeakPolarHBondContact O-CB 3.3Å; I182-T185 PolarHBondContact O-N 3.01Å; I182-T185 VanDerWaalsContact O-N 3.11Å; I182-T185 PolarHBondContact O-OG1 3.38Å
183E98.1Very high98Very high76 Ų7655.7 Ų55.736%0.35527%0.269SS..G310 helixtrans-55.1-44.5-178.9-172.9-179.4-153.100113Y178 H179 T185 K186Y178-E183 HydrophobicContact CD1-CB 4.22Å; Y178-E183 HydrophobicContact CE1-CB 3.69Å; Y178-E183 HydrophobicContact CE1-CG 4.09Å; Y178-E183 HydrophobicContact CE2-CB 4.21Å; Y178-E183 PolarHBondContact O-N 3.28Å; H179-E183 IonicContact CE1-OE2 3.43Å; H179-E183 IonicContact CG-OE2 3.51Å; H179-E183 IonicContact ND1-OE2 2.76Å; H179-E183 PolarHBondContact ND1-OE2 3.28Å; E183-T185 PolarHBondContact O-N 3.32Å; E183-T185 VanDerWaalsContact O-N 3.13Å; E183-K186 WeakPolarHBondContact O-CB 3.26Å; E183-K186 PolarHBondContact O-N 3.28Å
184P98.4Very high98Very high63 Ų6357.3 Ų57.341%0.40928%0.28SS..G310 helixtrans-62.7-25.4-179.6-24.737.5000113.3H179 I182 K186 R187H179-P184 WeakPolarHBondContact O-CD 3.32Å; H179-P184 VanDerWaalsContact O-CG 3.24Å; H179-P184 WeakPolarHBondContact O-CG 3.46Å; I182-P184 VanDerWaalsContact C-CD 3.49Å; P184-K186 PolarHBondContact O-N 2.8Å; P184-R187 WeakPolarHBondContact O-CD 3.41Å; P184-R187 WeakPolarHBondContact O-CG 3.41Å; P184-R187 PolarHBondContact O-N 3.27Å
185T98.4Very high97.6Very high6 Ų663.6 Ų63.64%0.03731%0.309CS..G310 helixtrans-71.9-11.5179.373.40000113.2L125 E126 F181 I182 E183 R187 Y188L125-T185 HydrophobicContact CB-CG2 4.27Å; E126-T185 HydrophobicContact CB-CG2 4.32Å; F181-T185 WeakPolarHBondContact O-CG2 3.45Å; I182-T185 WeakPolarHBondContact O-CB 3.3Å; I182-T185 PolarHBondContact O-N 3.01Å; I182-T185 VanDerWaalsContact O-N 3.11Å; I182-T185 PolarHBondContact O-OG1 3.38Å; E183-T185 PolarHBondContact O-N 3.32Å; E183-T185 VanDerWaalsContact O-N 3.13Å; T185-R187 PolarHBondContact O-N 3.25Å; T185-Y188 HydrophobicContact CG2-CD2 4.45Å; T185-Y188 WeakPolarHBondContact O-CB 3.4Å; T185-Y188 PolarHBondContact O-N 3.12Å
186K98.1Very high97.2Very high50 Ų5060 Ų6022%0.21729%0.293CS..G310 helixtrans-51.2-30170.4-175.1179.4-76-177.30111.7Y139 D141 E183 P184 Y188 A189 I192Y139-K186 HydrophobicContact CD1-CD 4.43Å; Y139-K186 HydrophobicContact CD1-CG 4.17Å; Y139-K186 HydrophobicContact CD2-CB 3.86Å; Y139-K186 HydrophobicContact CD2-CG 4.3Å; Y139-K186 HydrophobicContact CE1-CD 4.45Å; Y139-K186 HydrophobicContact CE1-CG 4.5Å; Y139-K186 HydrophobicContact CE2-CB 3.93Å; Y139-K186 HydrophobicContact CG-CB 4.18Å; Y139-K186 HydrophobicContact CG-CG 4.09Å; D141-K186 IonicContact OD1-NZ 3.55Å; D141-K186 PolarHBondContact OD1-NZ 3.31Å; D141-K186 IonicContact OD2-NZ 3.96Å; D141-K186 PolarHBondContact OD2-NZ 3.43Å; E183-K186 WeakPolarHBondContact O-CB 3.26Å; E183-K186 PolarHBondContact O-N 3.28Å; P184-K186 PolarHBondContact O-N 2.8Å; K186-Y188 PolarHBondContact O-N 3.08Å; K186-A189 WeakPolarHBondContact O-CB 3.39Å; K186-A189 PolarHBondContact O-N 2.86Å; K186-I192 HydrophobicContact CD-CD1 3.96Å; K186-I192 HydrophobicContact CG-CD1 3.82Å; K186-I192 HydrophobicContact CG-CG1 4.24Å
187R98.2Very high96.6Very high196 Ų19658 Ų5874%0.7428%0.282SS*.G310 helixtrans-65.2-18.517678.9-174.9-64.5-167.7-1.6115.2P184 T185P184-R187 WeakPolarHBondContact O-CD 3.41Å; P184-R187 WeakPolarHBondContact O-CG 3.41Å; P184-R187 PolarHBondContact O-N 3.27Å; T185-R187 PolarHBondContact O-N 3.25Å
188Y98.6Very high96.3Very high90 Ų9063.7 Ų63.735%0.35331%0.309SS..G310 helixtrans-98.2-1.9179.3-54.5-55.9000112.5T185 K186T185-Y188 HydrophobicContact CG2-CD2 4.45Å; T185-Y188 WeakPolarHBondContact O-CB 3.4Å; T185-Y188 PolarHBondContact O-N 3.12Å; K186-Y188 PolarHBondContact O-N 3.08Å
189A98.5Very high96.1Very high21 Ų2165.2 Ų65.217%0.17432%0.318CS..  trans-78.1139.3177.500000110.8L125 K137 K186L125-A189 HydrophobicContact CD1-CB 4.44Å; K137-A189 CarbonylContact O-C 3.54Å; K137-A189 WeakPolarHBondContact O-CA 3.46Å; K186-A189 WeakPolarHBondContact O-CB 3.39Å; K186-A189 PolarHBondContact O-N 2.86Å
190D98.1Very high95.9Very high96 Ų9667.2 Ų67.251%0.51333%0.327SS..SBendtrans-79.1-31.8170.8-54.6-55.3000110.3K137K137-D190 WeakPolarHBondContact CB-OD2 3.42Å; K137-D190 WeakPolarHBondContact CE-OD2 3.47Å; K137-D190 PolarHBondContact N-OD2 2.77Å; K137-D190 IonicContact NZ-OD2 3.21Å; K137-D190 PolarHBondContact NZ-OD2 3.3Å; K137-D190 PolarHBondContact O-N 2.93Å
191I97.2Very high95.8Very high69 Ų6966.7 Ų66.735%0.35433%0.332SS..EExtended strand (participates in β ladder)trans-136.8134.2-177.3-56172.8000109.8I136 K137 I138 Y139 V193 I206I136-I191 HydrophobicContact CG2-CD1 4.5Å; K137-I191 PolarHBondContact O-N 3.26Å; I138-I191 WeakPolarHBondContact CA-O 3.42Å; I138-I191 HydrophobicContact CG1-CB 4.41Å; Y139-I191 PolarHBondContact N-O 3.31Å; I191-V193 HydrophobicContact CG2-CG2 4.03Å; I191-I206 HydrophobicContact CD1-CG1 4.18Å
192I97.9Very high95.7Very high82 Ų8266 Ų6642%0.42133%0.332SS..EExtended strand (participates in β ladder)trans-103.5126.3167.6-59.9170.8000108.1Y139 D141 K186 P194Y139-I192 CarbonylContact O-C 3.57Å; Y139-I192 WeakPolarHBondContact O-CA 3.23Å; D141-I192 HydrophobicContact CB-CG2 3.72Å; K186-I192 HydrophobicContact CD-CD1 3.96Å; K186-I192 HydrophobicContact CG-CD1 3.82Å; K186-I192 HydrophobicContact CG-CG1 4.24Å; I192-P194 WeakPolarHBondContact O-CD 3.35Å
193V98.1Very high95.6Very high0 Ų066.1 Ų66.10%033%0.332CS..EExtended strand (participates in β ladder)trans-109.2104.4177.8178.90000109V30 I138 Y139 V140 D141 I191 N199 A202 I206V30-V193 HydrophobicContact CG2-CG1 4.29Å; I138-V193 HydrophobicContact CG2-CB 4.38Å; I138-V193 HydrophobicContact CG2-CG2 3.64Å; Y139-V193 PolarHBondContact O-N 3.4Å; V140-V193 WeakPolarHBondContact CA-O 3.46Å; V140-V193 HydrophobicContact CG2-CB 4.49Å; D141-V193 PolarHBondContact N-O 3.21Å; I191-V193 HydrophobicContact CG2-CG2 4.03Å; V193-N199 HydrophobicContact CG1-CB 4.13Å; V193-A202 HydrophobicContact CG1-CB 3.92Å; V193-A202 HydrophobicContact CG2-CB 4.14Å; V193-I206 HydrophobicContact CG2-CD1 3.81Å
194P96.4Very high95.5Very high65 Ų6565.8 Ų65.842%0.42233%0.333SS..EExtended strand (participates in β ladder)trans-65.2148.3172.5-20.132000111.8D141 I192 G196 N199D141-P194 CarbonylContact O-C 3.56Å; D141-P194 WeakPolarHBondContact O-CA 3.49Å; I192-P194 WeakPolarHBondContact O-CD 3.35Å; P194-G196 PolarHBondContact O-N 2.8Å; P194-N199 WeakPolarHBondContact O-CB 3.19Å; P194-N199 PolarHBondContact O-ND2 3.25Å
195E88.5Confident95.5Very high137 Ų13768.3 Ų68.364%0.6434%0.342SS*.THydrogen-bonded Turntrans64.90.1167.1-56.8-177.2-178.300116.9D141D141-E195 PolarHBondContact O-N 3.38Å
196G89Confident95.3Very high0 Ų068.2 Ų68.20%034%0.342CS..G310 helixtrans77.2-138.2172.400000114.1P194 E198 N199P194-G196 PolarHBondContact O-N 2.8Å; G196-E198 PolarHBondContact O-N 3Å; G196-E198 VanDerWaalsContact O-N 3.09Å; G196-N199 PolarHBondContact O-N 3.36Å; G196-N199 VanDerWaalsContact O-N 3.14Å
197G86.7Confident95.2Very high12 Ų1266.1 Ų66.112%0.12433%0.333CS..G310 helixtrans-63.6-14.9-168.800000116N199 I203G197-N199 VanDerWaalsContact C-N 3.35Å; G197-I203 WeakPolarHBondContact O-CD1 3.42Å
198E91.1Very high95.1Very high139 Ų13960.7 Ų60.765%0.6532%0.322SS*.G310 helixtrans-84-12.1179.2-57-53.5130.700112.6G196 H200G196-E198 PolarHBondContact O-N 3Å; G196-E198 VanDerWaalsContact O-N 3.09Å; E198-H200 PolarHBondContact O-N 3.44Å
199N93.8Very high94.8Very high41 Ų4161.2 Ų61.222%0.21933%0.326CS..  trans-79.373.6177.6-166.4-25.3000111V193 P194 G196 G197 V201 A202 I203V193-N199 HydrophobicContact CG1-CB 4.13Å; P194-N199 WeakPolarHBondContact O-CB 3.19Å; P194-N199 PolarHBondContact O-ND2 3.25Å; G196-N199 PolarHBondContact O-N 3.36Å; G196-N199 VanDerWaalsContact O-N 3.14Å; G197-N199 VanDerWaalsContact C-N 3.35Å; N199-V201 PolarHBondContact O-N 2.89Å; N199-A202 HydrophobicContact CB-CB 4.17Å; N199-A202 VanDerWaalsContact CG-CB 3.48Å; N199-A202 PolarHBondContact O-N 2.8Å; N199-A202 VanDerWaalsContact OD1-CB 3.31Å; N199-A202 WeakPolarHBondContact OD1-CB 3.29Å; N199-A202 PolarHBondContact OD1-N 3.33Å; N199-I203 WeakPolarHBondContact O-CD1 3.39Å; N199-I203 WeakPolarHBondContact O-CG1 3.45Å; N199-I203 PolarHBondContact O-N 3.03Å
200H94.5Very high94.6Very high120 Ų12060.3 Ų60.356%0.55632%0.318SS*.Hα-helixtrans-59.8-32.4-175.7-58.5-42.1000113E198 D204E198-H200 PolarHBondContact O-N 3.44Å; H200-D204 WeakPolarHBondContact O-CB 2.94Å; H200-D204 PolarHBondContact O-N 2.94Å
201V96.4Very high94.3Very high106 Ų10656.8 Ų56.864%0.64230%0.303SS*.Hα-helixtrans-66.7-47.2177.5178.60000110.6N199 D204 L205N199-V201 PolarHBondContact O-N 2.89Å; V201-D204 PolarHBondContact O-N 2.96Å; V201-L205 HydrophobicContact CG1-CD1 4.3Å; V201-L205 WeakPolarHBondContact O-CG 3.39Å; V201-L205 PolarHBondContact O-N 3.46Å
202A96.4Very high94Very high16 Ų1655.4 Ų55.413%0.13230%0.299CS..Hα-helixtrans-62.7-44.5176.400000111.5V193 N199 D204 L205 I206V193-A202 HydrophobicContact CG1-CB 3.92Å; V193-A202 HydrophobicContact CG2-CB 4.14Å; N199-A202 HydrophobicContact CB-CB 4.17Å; N199-A202 VanDerWaalsContact CG-CB 3.48Å; N199-A202 PolarHBondContact O-N 2.8Å; N199-A202 VanDerWaalsContact OD1-CB 3.31Å; N199-A202 WeakPolarHBondContact OD1-CB 3.29Å; N199-A202 PolarHBondContact OD1-N 3.33Å; A202-D204 VanDerWaalsContact C-N 3.3Å; A202-D204 PolarHBondContact O-N 3.36Å; A202-L205 PolarHBondContact O-N 3.05Å; A202-I206 WeakPolarHBondContact O-CD1 3.36Å; A202-I206 VanDerWaalsContact O-CG1 3.25Å; A202-I206 WeakPolarHBondContact O-CG1 3.39Å; A202-I206 PolarHBondContact O-N 2.87Å
203I96.1Very high93.5Very high3 Ų354.6 Ų54.62%0.01529%0.293CS..Hα-helixtrans-60.2-41.6177-68.5159000111A33 I34 G197 N199 I206 A207A33-I203 HydrophobicContact CB-CD1 3.68Å; A33-I203 HydrophobicContact CB-CG1 4.24Å; A33-I203 HydrophobicContact CB-CG2 3.96Å; I34-I203 HydrophobicContact CG1-CG2 4.44Å; G197-I203 WeakPolarHBondContact O-CD1 3.42Å; N199-I203 WeakPolarHBondContact O-CD1 3.39Å; N199-I203 WeakPolarHBondContact O-CG1 3.45Å; N199-I203 PolarHBondContact O-N 3.03Å; I203-I206 PolarHBondContact O-N 3.11Å; I203-A207 VanDerWaalsContact O-CB 3.24Å; I203-A207 WeakPolarHBondContact O-CB 3.4Å; I203-A207 PolarHBondContact O-N 3.23Å
204D96.1Very high92.9Very high70 Ų7055.7 Ų55.737%0.37430%0.298SS..Hα-helixtrans-66.8-41179.5-166.768.8000112.5R37 H200 V201 A202 A207 T208R37-D204 IonicContact CZ-OD1 4Å; R37-D204 IonicContact NH1-OD1 2.83Å; R37-D204 PolarHBondContact NH1-OD1 3.41Å; R37-D204 IonicContact NH2-OD1 3.08Å; R37-D204 PolarHBondContact NH2-OD1 2.73Å; H200-D204 WeakPolarHBondContact O-CB 2.94Å; H200-D204 PolarHBondContact O-N 2.94Å; V201-D204 PolarHBondContact O-N 2.96Å; A202-D204 VanDerWaalsContact C-N 3.3Å; A202-D204 PolarHBondContact O-N 3.36Å; D204-A207 PolarHBondContact O-N 3.34Å; D204-T208 VanDerWaalsContact O-CB 3.3Å; D204-T208 WeakPolarHBondContact O-CB 3.33Å; D204-T208 PolarHBondContact O-N 3.18Å; D204-T208 PolarHBondContact O-OG1 2.98Å
205L96.5Very high92.1Very high116 Ų11658 Ų5861%0.60731%0.308SS*.Hα-helixtrans-63.7-44.3174.2-71.7172.8000111.9V201 A202 T208 K209V201-L205 HydrophobicContact CG1-CD1 4.3Å; V201-L205 WeakPolarHBondContact O-CG 3.39Å; V201-L205 PolarHBondContact O-N 3.46Å; A202-L205 PolarHBondContact O-N 3.05Å; L205-T208 PolarHBondContact O-N 3.32Å; L205-K209 PolarHBondContact O-N 3.34Å
206I95.9Very high90.5Very high4 Ų458 Ų582%0.02131%0.307CS..Hα-helixtrans-63.1-50.4176.5-66.6158.2000109.8I34 I138 I191 V193 A202 I203 T208 K209 V210I34-I206 HydrophobicContact CD1-CB 4.44Å; I34-I206 HydrophobicContact CD1-CD1 4.49Å; I34-I206 HydrophobicContact CD1-CG2 3.62Å; I34-I206 HydrophobicContact CG1-CG2 4.02Å; I138-I206 HydrophobicContact CD1-CD1 3.78Å; I138-I206 HydrophobicContact CD1-CG1 4.17Å; I138-I206 HydrophobicContact CD1-CG2 3.91Å; I138-I206 HydrophobicContact CG1-CD1 4.41Å; I191-I206 HydrophobicContact CD1-CG1 4.18Å; V193-I206 HydrophobicContact CG2-CD1 3.81Å; A202-I206 WeakPolarHBondContact O-CD1 3.36Å; A202-I206 VanDerWaalsContact O-CG1 3.25Å; A202-I206 WeakPolarHBondContact O-CG1 3.39Å; A202-I206 PolarHBondContact O-N 2.87Å; I203-I206 PolarHBondContact O-N 3.11Å; I206-T208 VanDerWaalsContact C-N 3.33Å; I206-T208 PolarHBondContact O-N 3.42Å; I206-K209 CarbonylContact O-C 3.55Å; I206-K209 WeakPolarHBondContact O-CA 3.45Å; I206-K209 WeakPolarHBondContact O-CB 3.41Å; I206-K209 PolarHBondContact O-N 3.23Å; I206-V210 HydrophobicContact CG2-CG2 4.37Å; I206-V210 WeakPolarHBondContact O-CG2 3.17Å; I206-V210 PolarHBondContact O-N 3.06Å
207A94.7Very high88.4Confident5 Ų569.9 Ų69.94%0.04136%0.363CS..Hα-helixtrans-59.9-42.3178.400000111.6R37 F38 I203 D204 K209 V210 A211R37-A207 HydrophobicContact CB-CB 4.08Å; R37-A207 HydrophobicContact CG-CB 3.81Å; F38-A207 HydrophobicContact CE2-CB 4.12Å; F38-A207 HydrophobicContact CZ-CB 4.22Å; F38-A207 WeakPolarHBondContact CZ-O 3.39Å; I203-A207 VanDerWaalsContact O-CB 3.24Å; I203-A207 WeakPolarHBondContact O-CB 3.4Å; I203-A207 PolarHBondContact O-N 3.23Å; D204-A207 PolarHBondContact O-N 3.34Å; A207-K209 PolarHBondContact O-N 3.08Å; A207-V210 PolarHBondContact O-N 3.15Å; A207-V210 VanDerWaalsContact O-N 3.1Å; A207-A211 WeakPolarHBondContact O-CB 3.49Å; A207-A211 PolarHBondContact O-N 3.02Å
208T95.6Very high88.5Confident83 Ų8372.8 Ų72.851%0.50938%0.375SS..Hα-helixtrans-56.5-40.9173.8-62.50000111.4D204 L205 I206 A211 S212D204-T208 VanDerWaalsContact O-CB 3.3Å; D204-T208 WeakPolarHBondContact O-CB 3.33Å; D204-T208 PolarHBondContact O-N 3.18Å; D204-T208 PolarHBondContact O-OG1 2.98Å; L205-T208 PolarHBondContact O-N 3.32Å; I206-T208 VanDerWaalsContact C-N 3.33Å; I206-T208 PolarHBondContact O-N 3.42Å; T208-A211 PolarHBondContact O-N 2.85Å; T208-S212 PolarHBondContact O-N 3.12Å; T208-S212 VanDerWaalsContact O-N 3.07Å
209K94.1Very high88.4Confident101 Ų10169.3 Ų69.344%0.43936%0.36SS..Hα-helixtrans-67.3-42.3175.4-175.858-174.2151.50112.2I136 L205 I206 A207 S212 F213I136-K209 HydrophobicContact CD1-CG 4.15Å; L205-K209 PolarHBondContact O-N 3.34Å; I206-K209 CarbonylContact O-C 3.55Å; I206-K209 WeakPolarHBondContact O-CA 3.45Å; I206-K209 WeakPolarHBondContact O-CB 3.41Å; I206-K209 PolarHBondContact O-N 3.23Å; A207-K209 PolarHBondContact O-N 3.08Å; K209-S212 PolarHBondContact NZ-OG 2.97Å; K209-S212 WeakPolarHBondContact O-CB 3.5Å; K209-S212 PolarHBondContact O-N 3.2Å; K209-S212 PolarHBondContact O-OG 2.72Å; K209-F213 HydrophobicContact CD-CE2 4.12Å; K209-F213 HydrophobicContact CD-CZ 4.43Å; K209-F213 VanDerWaalsContact CE-CE2 3.5Å; K209-F213 HydrophobicContact CG-CE2 3.95Å; K209-F213 WeakPolarHBondContact O-CD2 3.25Å; K209-F213 PolarHBondContact O-N 3.3Å
210V92.7Very high88.1Confident1 Ų170.9 Ų70.91%0.00637%0.368CS..Hα-helixtrans-60.4-45.3174.7178.90000111.4I17 I34 F38 V116 I206 A207 S212 F213 L214I17-V210 HydrophobicContact CD1-CG1 4.44Å; I17-V210 HydrophobicContact CD1-CG2 3.31Å; I34-V210 HydrophobicContact CG2-CG2 4.38Å; F38-V210 HydrophobicContact CD2-CG1 4.31Å; F38-V210 HydrophobicContact CE1-CG1 4.45Å; F38-V210 HydrophobicContact CE2-CB 3.83Å; F38-V210 HydrophobicContact CE2-CG1 3.66Å; F38-V210 HydrophobicContact CZ-CB 3.76Å; F38-V210 HydrophobicContact CZ-CG1 3.75Å; V116-V210 HydrophobicContact CG1-CG1 4.03Å; V116-V210 HydrophobicContact CG2-CG1 3.94Å; I206-V210 HydrophobicContact CG2-CG2 4.37Å; I206-V210 WeakPolarHBondContact O-CG2 3.17Å; I206-V210 PolarHBondContact O-N 3.06Å; A207-V210 PolarHBondContact O-N 3.15Å; A207-V210 VanDerWaalsContact O-N 3.1Å; V210-S212 VanDerWaalsContact C-N 3.26Å; V210-S212 PolarHBondContact O-N 2.78Å; V210-F213 WeakPolarHBondContact O-CB 3.41Å; V210-F213 PolarHBondContact O-N 3.04Å; V210-L214 HydrophobicContact CG1-CD1 4.09Å; V210-L214 PolarHBondContact O-N 2.78Å
211A92.4Very high87.7Confident23 Ų2368 Ų6819%0.1936%0.357CS..Hα-helixtrans-59.3-37.7176.700000111.8F38 A207 T208 F213 L214 N215F38-A211 HydrophobicContact CE1-CB 3.81Å; F38-A211 HydrophobicContact CZ-CB 4.03Å; A207-A211 WeakPolarHBondContact O-CB 3.49Å; A207-A211 PolarHBondContact O-N 3.02Å; T208-A211 PolarHBondContact O-N 2.85Å; A211-F213 PolarHBondContact O-N 3.25Å; A211-L214 PolarHBondContact O-N 3.21Å; A211-N215 WeakPolarHBondContact O-CB 3.29Å; A211-N215 VanDerWaalsContact O-CG 3.27Å; A211-N215 PolarHBondContact O-N 2.7Å; A211-N215 PolarHBondContact O-ND2 2.9Å
212S91.1Very high87.1Confident39 Ų3965.6 Ų65.627%0.27334%0.339SS..Hα-helixtrans-59.5-31.8176.279.10000112.8T208 K209 V210 H216T208-S212 PolarHBondContact O-N 3.12Å; T208-S212 VanDerWaalsContact O-N 3.07Å; K209-S212 PolarHBondContact NZ-OG 2.97Å; K209-S212 WeakPolarHBondContact O-CB 3.5Å; K209-S212 PolarHBondContact O-N 3.2Å; K209-S212 PolarHBondContact O-OG 2.72Å; V210-S212 VanDerWaalsContact C-N 3.26Å; V210-S212 PolarHBondContact O-N 2.78Å; S212-H216 PolarHBondContact O-CD2 3.26Å
213F86.9Confident86.5Confident65 Ų6568.9 Ų68.929%0.28535%0.353SS..Hα-helixtrans-80.3-34.9177.5-66.3-64.4000113.3I15 I136 K209 V210 A211I15-F213 HydrophobicContact CD1-CB 3.2Å; I15-F213 HydrophobicContact CD1-CD1 3.22Å; I15-F213 HydrophobicContact CD1-CD2 3.41Å; I15-F213 VanDerWaalsContact CD1-CD2 3.41Å; I15-F213 HydrophobicContact CD1-CE1 3.76Å; I15-F213 HydrophobicContact CD1-CE2 3.93Å; I15-F213 HydrophobicContact CD1-CG 3Å; I15-F213 HydrophobicContact CD1-CZ 4.07Å; I15-F213 HydrophobicContact CG2-CD2 4.47Å; I15-F213 HydrophobicContact CG2-CE2 4.5Å; I136-F213 HydrophobicContact CD1-CE2 3.89Å; K209-F213 HydrophobicContact CD-CE2 4.12Å; K209-F213 HydrophobicContact CD-CZ 4.43Å; K209-F213 VanDerWaalsContact CE-CE2 3.5Å; K209-F213 HydrophobicContact CG-CE2 3.95Å; K209-F213 WeakPolarHBondContact O-CD2 3.25Å; K209-F213 PolarHBondContact O-N 3.3Å; V210-F213 WeakPolarHBondContact O-CB 3.41Å; V210-F213 PolarHBondContact O-N 3.04Å; A211-F213 PolarHBondContact O-N 3.25Å
214L85.9Confident85.8Confident23 Ų2373.6 Ų73.612%0.1238%0.377CS..Hα-helixtrans-71.3-31.7176.4-70.2168.6000112.2F38 H41 E115 V116 V210 A211F38-L214 HydrophobicContact CD1-CD1 3.66Å; F38-L214 HydrophobicContact CE1-CD1 3.8Å; F38-L214 HydrophobicContact CG-CD1 4.25Å; F38-L214 HydrophobicContact CZ-CD1 4.49Å; H41-L214 HydrophobicContact CB-CD1 3.94Å; E115-L214 HydrophobicContact CB-CD2 4.04Å; V116-L214 HydrophobicContact CG2-CD1 4.29Å; V116-L214 HydrophobicContact CG2-CD2 3.74Å; V116-L214 HydrophobicContact CG2-CG 3.99Å; V210-L214 HydrophobicContact CG1-CD1 4.09Å; V210-L214 PolarHBondContact O-N 2.78Å; A211-L214 PolarHBondContact O-N 3.21Å
215N79.1Confident85Confident115 Ų11573.9 Ų73.962%0.61538%0.377SS*.THydrogen-bonded Turntrans-90.1-0.7-177.1-67.2-29.4000114.3A211 E217A211-N215 WeakPolarHBondContact O-CB 3.29Å; A211-N215 VanDerWaalsContact O-CG 3.27Å; A211-N215 PolarHBondContact O-N 2.7Å; A211-N215 PolarHBondContact O-ND2 2.9Å; N215-E217 PolarHBondContact O-N 2.89Å
216H56.6Low84.1Confident137 Ų13770.4 Ų70.463%0.63436%0.358SS*.  trans-79.575.2170.3-85.3-55.6000109.9S212S212-H216 PolarHBondContact O-CD2 3.26Å
217E44.1Very low83Confident249 Ų24976.5 Ų76.5100%1.16439%0.389SS*.  trans-113.60154.9-73.2-163.9152.800110.3N215N215-E217 PolarHBondContact O-N 2.89Å

Retrieved 217 of 217 residues in 364.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).