A0A077Z267_TRITR Loading...

choline-phosphate cytidylyltransferase

AlphaFold DB , UniProt , Accession A0A077Z267, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 306 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
1M50.8Low73Confident243 Ų243122.2 Ų122.2100%1.19772%0.724SS**  0118.40-79178.5167.200107.7K3M1-K3 PolarHBondContact O-N 2.95Å
2A58Low75.1Confident100 Ų100115.9 Ų115.983%0.82669%0.689SS**  trans-63.8119.4165.800000106.9L4A2-L4 PolarHBondContact O-N 3.42Å; A2-L4 VanDerWaalsContact O-N 3.13Å
3K61.7Low76.9Confident195 Ų195108.5 Ų108.585%0.84864%0.642SS**  trans-59.4119.1169.3-88.2-180172.7179.60106.2M1 Q5M1-K3 PolarHBondContact O-N 2.95Å; K3-Q5 PolarHBondContact O-N 3.5Å
4L59.4Low78.4Confident177 Ų177101.1 Ų101.193%0.92760%0.599SS**  trans-54.6104.8163.9-85.3133.6000106.6A2 S6A2-L4 PolarHBondContact O-N 3.42Å; A2-L4 VanDerWaalsContact O-N 3.13Å; L4-S6 PolarHBondContact O-N 2.98Å
5Q59.8Low79.8Confident185 Ų185100 Ų10086%0.86459%0.589SS**  trans-70.2118.9169.5-75.9179.3-19.400106.3K3 S7K3-Q5 PolarHBondContact O-N 3.5Å; Q5-S7 PolarHBondContact O-N 3.42Å
6S70.6Confident80.9Confident92 Ų9297.1 Ų97.164%0.64357%0.57SS**  trans-59.1133170.5178.40000108.6L4 A8L4-S6 PolarHBondContact O-N 2.98Å; S6-A8 PolarHBondContact O-N 2.93Å; S6-A8 WeakPolarHBondContact OG-CB 3.31Å; S6-A8 PolarHBondContact OG-N 3.46Å; S6-A8 VanDerWaalsContact OG-N 3.1Å
7S72.8Confident81.9Confident126 Ų12697.7 Ų97.788%0.88158%0.578SS**SBendtrans-72.6-9.7169.159.20000112.5Q5 A9Q5-S7 PolarHBondContact O-N 3.42Å; S7-A9 PolarHBondContact O-N 2.9Å
8A82.7Confident82.8Confident84 Ų8499.9 Ų99.969%0.69458%0.581SS**  trans-77.291.4177.400000109.9S6S6-A8 PolarHBondContact O-N 2.93Å; S6-A8 WeakPolarHBondContact OG-CB 3.31Å; S6-A8 PolarHBondContact OG-N 3.46Å; S6-A8 VanDerWaalsContact OG-N 3.1Å
9A92.1Very high83.6Confident80 Ų8094.8 Ų94.866%0.66155%0.552SS**  trans-106.9156.1167.200000109.8S7S7-A9 PolarHBondContact O-N 2.9Å
10P96.7Very high84.3Confident53 Ų5392.9 Ų92.934%0.34454%0.539SS..PPolyproline II helixtrans-57.4151.6166.5-16.630.6000110.2R106P10-R106 HydrophobicContact CB-CG 4.04Å
11A98Very high85Confident9 Ų990.7 Ų90.77%0.07453%0.531CS..PPolyproline II helixtrans-56.3129.9171.100000109.6R106 V111 V114A11-R106 HydrophobicContact CB-CB 4.15Å; A11-R106 PolarHBondContact N-O 2.88Å; A11-V111 HydrophobicContact CB-CB 4.32Å; A11-V111 HydrophobicContact CB-CG1 3.89Å; A11-V114 HydrophobicContact CB-CG2 4.4Å
12P98.3Very high87.2Confident47 Ų4783.2 Ų83.231%0.30549%0.494SS..PPolyproline II helixtrans-65.9161175.631.1-39.1000111D16 V19 D112 V114P12-D16 WeakPolarHBondContact CA-OD2 3.31Å; P12-D16 WeakPolarHBondContact CB-OD2 3.48Å; P12-V19 HydrophobicContact CB-CG2 3.5Å; P12-V19 VanDerWaalsContact CB-CG2 3.5Å; P12-V19 HydrophobicContact CG-CG2 3.47Å; P12-V19 VanDerWaalsContact CG-CG2 3.47Å; P12-D112 VanDerWaalsContact CD-O 3.3Å; P12-D112 WeakPolarHBondContact CD-O 3.45Å; P12-V114 PolarHBondContact O-N 3.01Å
13F98.7Very high89.1Confident19 Ų1980.1 Ų80.18%0.08346%0.46CS..BIsolated β-bridgetrans-83.6149173.7-61.4-61.4000111D15 D16 V19 F102 V114 R116F13-D15 WeakPolarHBondContact CB-OD1 3.24Å; F13-D15 PolarHBondContact O-N 2.86Å; F13-D16 PolarHBondContact N-OD2 3.31Å; F13-D16 VanDerWaalsContact O-CB 3.29Å; F13-D16 WeakPolarHBondContact O-CB 3.32Å; F13-D16 PolarHBondContact O-N 3.45Å; F13-V19 WeakPolarHBondContact O-CG2 3.26Å; F13-F102 HydrophobicContact CE1-CB 4.06Å; F13-F102 HydrophobicContact CZ-CB 4.47Å; F13-V114 CarbonylContact C-O 3.48Å; F13-V114 VanDerWaalsContact CA-O 3.3Å; F13-V114 WeakPolarHBondContact CA-O 3.46Å; F13-V114 HydrophobicContact CD1-CB 3.93Å; F13-V114 HydrophobicContact CD1-CG1 4Å; F13-V114 HydrophobicContact CE1-CB 4.31Å; F13-V114 HydrophobicContact CE1-CG1 4.14Å; F13-R116 HydrophobicContact CD1-CG 3.67Å; F13-R116 HydrophobicContact CE1-CG 3.98Å; F13-R116 HydrophobicContact CG-CG 4.32Å
14S98.6Very high90.9Very high5 Ų577.4 Ų77.44%0.03545%0.451CS..THydrogen-bonded Turntrans-59-19.5-179.7-68.70000115.2R23 E113 V114 Y115S14-R23 PolarHBondContact O-NH1 3.16Å; S14-E113 WeakPolarHBondContact CA-OE1 3.5Å; S14-E113 WeakPolarHBondContact CB-OE1 3.13Å; S14-E113 WeakPolarHBondContact OG-CG 3.36Å; S14-E113 PolarHBondContact OG-OE1 3.26Å; S14-V114 PolarHBondContact N-O 3.47Å; S14-V114 PolarHBondContact OG-O 2.64Å; S14-Y115 VanDerWaalsContact OG-CA 3.28Å; S14-Y115 WeakPolarHBondContact OG-CA 3.43Å; S14-Y115 WeakPolarHBondContact OG-CB 3.25Å; S14-Y115 PolarHBondContact OG-N 3.41Å
15D98.2Very high92.6Very high85 Ų8576.3 Ų76.346%0.45545%0.445SS..THydrogen-bonded Turntrans-101.82.2178.762.6-31.5000113.1F13 R116F13-D15 WeakPolarHBondContact CB-OD1 3.24Å; F13-D15 PolarHBondContact O-N 2.86Å; D15-R116 IonicContact OD1-CZ 2.72Å; D15-R116 IonicContact OD1-NE 3.96Å; D15-R116 PolarHBondContact OD1-NE 3.03Å; D15-R116 IonicContact OD1-NH2 3.83Å; D15-R116 PolarHBondContact OD1-NH2 3.1Å; D15-R116 IonicContact OD2-CZ 3.46Å; D15-R116 IonicContact OD2-NE 3.99Å; D15-R116 IonicContact OD2-NH2 3.54Å; D15-R116 PolarHBondContact OD2-NH2 3.39Å
16D98.4Very high94.4Very high54 Ų5469.2 Ų69.229%0.28941%0.413SS..SBendtrans-64.7134.1169.9-72.5-24.8000109.5P12 F13 Q18 V19 I20P12-D16 WeakPolarHBondContact CA-OD2 3.31Å; P12-D16 WeakPolarHBondContact CB-OD2 3.48Å; F13-D16 PolarHBondContact N-OD2 3.31Å; F13-D16 VanDerWaalsContact O-CB 3.29Å; F13-D16 WeakPolarHBondContact O-CB 3.32Å; F13-D16 PolarHBondContact O-N 3.45Å; D16-Q18 PolarHBondContact O-N 2.99Å; D16-V19 HydrophobicContact CB-CB 4.43Å; D16-V19 HydrophobicContact CB-CG2 4.09Å; D16-V19 PolarHBondContact O-N 3.3Å; D16-I20 PolarHBondContact O-N 3.34Å
17P98.3Very high95.6Very high107 Ų10770.2 Ų70.270%0.69541%0.411SS*.Hα-helixtrans-55.2-34.4-174.8-29.334.9000114.5A21P17-A21 WeakPolarHBondContact O-CB 3.42Å; P17-A21 PolarHBondContact O-N 3.19Å; P17-A21 VanDerWaalsContact O-N 3.07Å
18Q97.1Very high96.6Very high137 Ų13766.5 Ų66.564%0.6438%0.378SS*.Hα-helixtrans-67.8-41.8176.7-178.2179.7-15.600111.8D16 A21 E22D16-Q18 PolarHBondContact O-N 2.99Å; Q18-A21 PolarHBondContact O-N 3.45Å; Q18-E22 HydrophobicContact CG-CG 4.47Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.37Å; Q18-E22 PolarHBondContact NE2-OE1 2.7Å; Q18-E22 WeakPolarHBondContact O-CB 3.39Å; Q18-E22 WeakPolarHBondContact O-CG 3.49Å; Q18-E22 PolarHBondContact O-N 3.03Å
19V98.1Very high97.1Very high4 Ų467 Ų672%0.02438%0.376CS..Hα-helixtrans-67.3-39.9179.1178.30000110.8P12 F13 D16 E22 R23 E113P12-V19 HydrophobicContact CB-CG2 3.5Å; P12-V19 VanDerWaalsContact CB-CG2 3.5Å; P12-V19 HydrophobicContact CG-CG2 3.47Å; P12-V19 VanDerWaalsContact CG-CG2 3.47Å; F13-V19 WeakPolarHBondContact O-CG2 3.26Å; D16-V19 HydrophobicContact CB-CB 4.43Å; D16-V19 HydrophobicContact CB-CG2 4.09Å; D16-V19 PolarHBondContact O-N 3.3Å; V19-E22 PolarHBondContact O-N 2.95Å; V19-R23 VanDerWaalsContact O-CB 3.29Å; V19-R23 WeakPolarHBondContact O-CB 3.37Å; V19-R23 PolarHBondContact O-N 3.41Å; V19-E113 HydrophobicContact CG1-CG 3.9Å
20I98.5Very high97.1Very high56 Ų5670.9 Ų70.929%0.28738%0.38SS..Hα-helixtrans-59.3-50.2173.9-63.4172.4000110.1D16 E22 R23 E24D16-I20 PolarHBondContact O-N 3.34Å; I20-E22 PolarHBondContact O-N 3.33Å; I20-R23 PolarHBondContact O-N 2.86Å; I20-E24 WeakPolarHBondContact O-CG 3.32Å; I20-E24 PolarHBondContact O-N 3.33Å
21A98.3Very high96.9Very high46 Ų4673.9 Ų73.938%0.3839%0.388SS..Hα-helixtrans-62.6-42.1179.500000112.6P17 Q18 E24 L25P17-A21 WeakPolarHBondContact O-CB 3.42Å; P17-A21 PolarHBondContact O-N 3.19Å; P17-A21 VanDerWaalsContact O-N 3.07Å; Q18-A21 PolarHBondContact O-N 3.45Å; A21-E24 PolarHBondContact O-N 3.29Å; A21-L25 WeakPolarHBondContact O-CG 3.5Å; A21-L25 PolarHBondContact O-N 2.65Å
22E97.5Very high96.8Very high87 Ų8774.1 Ų74.141%0.40739%0.388SS..Hα-helixtrans-61.9-43.8174.7-75.7175-165.800111.3Q18 V19 I20 E24 L25 I26Q18-E22 HydrophobicContact CG-CG 4.47Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.37Å; Q18-E22 PolarHBondContact NE2-OE1 2.7Å; Q18-E22 WeakPolarHBondContact O-CB 3.39Å; Q18-E22 WeakPolarHBondContact O-CG 3.49Å; Q18-E22 PolarHBondContact O-N 3.03Å; V19-E22 PolarHBondContact O-N 2.95Å; I20-E22 PolarHBondContact O-N 3.33Å; E22-E24 PolarHBondContact O-N 2.64Å; E22-L25 PolarHBondContact O-N 2.95Å; E22-I26 WeakPolarHBondContact O-CG1 3.46Å
23R98.1Very high96.7Very high35 Ų3575.3 Ų75.313%0.13239%0.392CS..Hα-helixtrans-61.9-42.3176.3-176.5170.268.5-128.81.9111.5S14 V19 I20 L25 I26 E113 M130 K131S14-R23 PolarHBondContact O-NH1 3.16Å; V19-R23 VanDerWaalsContact O-CB 3.29Å; V19-R23 WeakPolarHBondContact O-CB 3.37Å; V19-R23 PolarHBondContact O-N 3.41Å; I20-R23 PolarHBondContact O-N 2.86Å; R23-L25 VanDerWaalsContact C-N 3.25Å; R23-L25 PolarHBondContact O-N 3.38Å; R23-I26 WeakPolarHBondContact O-CB 3.39Å; R23-I26 PolarHBondContact O-N 2.94Å; R23-I26 VanDerWaalsContact O-N 3.14Å; R23-E113 IonicContact NH1-OE1 3.99Å; R23-M130 VanDerWaalsContact NH1-CE 3.34Å; R23-K131 HydrophobicContact CG-CD 4.12Å; R23-K131 HydrophobicContact CG-CG 4.41Å; R23-K131 VanDerWaalsContact O-CD 3.26Å; R23-K131 WeakPolarHBondContact O-CD 3.48Å; R23-K131 WeakPolarHBondContact O-CE 3.29Å; R23-K131 PolarHBondContact O-NZ 3.37Å
24E97.6Very high96.6Very high137 Ų13780 Ų8064%0.6441%0.41SS*.Hα-helixtrans-58.4-35.3178.8-76.3173.9171.100112.8I20 A21 E22 I26 K131I20-E24 WeakPolarHBondContact O-CG 3.32Å; I20-E24 PolarHBondContact O-N 3.33Å; A21-E24 PolarHBondContact O-N 3.29Å; E22-E24 PolarHBondContact O-N 2.64Å; E24-I26 VanDerWaalsContact C-N 3.27Å; E24-I26 PolarHBondContact O-N 3.46Å; E24-K131 PolarHBondContact O-NZ 3.49Å
25L97Very high96.6Very high154 Ų15486.3 Ų86.381%0.80644%0.439SS*.THydrogen-bonded Turntrans-73-13.9179.3-65.8172.2000114.7A21 E22 R23 D27A21-L25 WeakPolarHBondContact O-CG 3.5Å; A21-L25 PolarHBondContact O-N 2.65Å; E22-L25 PolarHBondContact O-N 2.95Å; R23-L25 VanDerWaalsContact C-N 3.25Å; R23-L25 PolarHBondContact O-N 3.38Å; L25-D27 PolarHBondContact O-N 3.32Å
26I96.6Very high96.5Very high37 Ų3784.3 Ų84.319%0.1943%0.429CS..SBendtrans-74121.1-177.5-58.8-180000109.9E22 R23 E24 Y28 K131E22-I26 WeakPolarHBondContact O-CG1 3.46Å; R23-I26 WeakPolarHBondContact O-CB 3.39Å; R23-I26 PolarHBondContact O-N 2.94Å; R23-I26 VanDerWaalsContact O-N 3.14Å; E24-I26 VanDerWaalsContact C-N 3.27Å; E24-I26 PolarHBondContact O-N 3.46Å; I26-Y28 PolarHBondContact O-N 2.86Å; I26-K131 HydrophobicContact CB-CD 3.87Å; I26-K131 HydrophobicContact CG2-CD 4.23Å; I26-K131 PolarHBondContact O-NZ 2.97Å
27D95.3Very high96.5Very high112 Ų11281.7 Ų81.760%0.59942%0.416SS*.  trans-70.1118.3166.3-172.72.8000109.7L25 S29 R44L25-D27 PolarHBondContact O-N 3.32Å; D27-S29 VanDerWaalsContact OD1-CB 3.26Å; D27-S29 WeakPolarHBondContact OD1-CB 3.23Å; D27-S29 PolarHBondContact OD1-N 3.01Å; D27-S29 PolarHBondContact OD1-OG 3.39Å; D27-S29 PolarHBondContact OD2-OG 3.24Å; D27-R44 PolarHBondContact O-NE 3.3Å
28Y95.3Very high96.4Very high48 Ų4878.7 Ų78.719%0.18840%0.4CS..  trans-126.221.8-178.6-161.8-99.1000110.6I26 K131 I132 D133I26-Y28 PolarHBondContact O-N 2.86Å; Y28-K131 HydrophobicContact CD1-CB 4.3Å; Y28-K131 HydrophobicContact CD1-CG 4.24Å; Y28-K131 HydrophobicContact CD2-CB 3.58Å; Y28-K131 HydrophobicContact CD2-CG 4.23Å; Y28-K131 HydrophobicContact CE2-CB 4.09Å; Y28-K131 WeakPolarHBondContact CE2-O 3.42Å; Y28-K131 HydrophobicContact CG-CB 3.72Å; Y28-K131 HydrophobicContact CG-CD 4.42Å; Y28-K131 HydrophobicContact CG-CG 3.84Å; Y28-I132 VanDerWaalsContact OH-C 3.24Å; Y28-I132 PolarHBondContact OH-O 3.36Å; Y28-D133 VanDerWaalsContact CE2-OD1 3.31Å; Y28-D133 WeakPolarHBondContact CE2-OD1 3.38Å
29S92.8Very high96.5Very high94 Ų9476.5 Ų76.566%0.65739%0.392SS*.SBendtrans-72.8-34.7177.260.90000112.8D27D27-S29 VanDerWaalsContact OD1-CB 3.26Å; D27-S29 WeakPolarHBondContact OD1-CB 3.23Å; D27-S29 PolarHBondContact OD1-N 3.01Å; D27-S29 PolarHBondContact OD1-OG 3.39Å; D27-S29 PolarHBondContact OD2-OG 3.24Å
30E91.2Very high96.3Very high162 Ų16278.5 Ų78.576%0.75741%0.414SS*.SBendtrans-104.2131.4175.5-60.3-140.3161.300111.4
31K92.7Very high96.2Very high117 Ų11783.3 Ų83.351%0.50943%0.433SS..PPolyproline II helixtrans-74.9127.5176.7179.3177.9177.4175.30110.2D33 A158K31-D33 PolarHBondContact O-N 2.81Å; K31-A158 PolarHBondContact NZ-O 2.83Å
32I96.6Very high96Very high13 Ų1382.2 Ų82.27%0.06742%0.424CS..PPolyproline II helixtrans-76.5117.5168.7-63168.3000108.6T36 A37 A42 R44 F134I32-T36 HydrophobicContact CG2-CG2 4.35Å; I32-A37 HydrophobicContact CG2-CB 3.84Å; I32-A42 HydrophobicContact CD1-CB 3.73Å; I32-A42 HydrophobicContact CG1-CB 4.21Å; I32-A42 HydrophobicContact CG2-CB 4.06Å; I32-R44 HydrophobicContact CD1-CG 4.27Å; I32-F134 HydrophobicContact CG2-CE2 4.32Å
33D96.3Very high95.9Very high72 Ų7282.3 Ų82.339%0.38545%0.448SS..PPolyproline II helixtrans-79.3161.4171.171.885000111.8K31 E35 T36 A37K31-D33 PolarHBondContact O-N 2.81Å; D33-E35 VanDerWaalsContact C-N 3.3Å; D33-E35 PolarHBondContact O-N 3.39Å; D33-E35 WeakPolarHBondContact OD1-CA 3.32Å; D33-E35 WeakPolarHBondContact OD1-CB 3.19Å; D33-E35 PolarHBondContact OD1-N 3.25Å; D33-T36 PolarHBondContact O-N 3.15Å; D33-T36 PolarHBondContact OD1-N 3.3Å; D33-T36 PolarHBondContact OD1-OG1 2.96Å; D33-T36 VanDerWaalsContact OD2-CB 3.25Å; D33-T36 WeakPolarHBondContact OD2-CB 3.31Å; D33-T36 PolarHBondContact OD2-OG1 3Å; D33-A37 PolarHBondContact O-N 3.29Å
34Y96.9Very high95.8Very high117 Ų11783 Ų8346%0.45945%0.451SS..Hα-helixtrans-59.7-37.9-175.6-165.9-78.6000113A37 A38 F72 F134 V162Y34-A37 PolarHBondContact O-N 3.06Å; Y34-A38 HydrophobicContact CD1-CB 4.42Å; Y34-A38 HydrophobicContact CE1-CB 4.39Å; Y34-A38 VanDerWaalsContact O-CB 3.24Å; Y34-A38 WeakPolarHBondContact O-CB 3.49Å; Y34-A38 PolarHBondContact O-N 2.79Å; Y34-F72 HydrophobicContact CD1-CE1 4.38Å; Y34-F72 HydrophobicContact CD2-CE1 4.09Å; Y34-F72 AromaticContact CD2-CZ 3.95Å; Y34-F72 HydrophobicContact CD2-CZ 3.95Å; Y34-F72 HydrophobicContact CE1-CE1 4.19Å; Y34-F72 AromaticContact CE2-CE1 3.9Å; Y34-F72 HydrophobicContact CE2-CE1 3.9Å; Y34-F72 AromaticContact CE2-CZ 3.82Å; Y34-F72 HydrophobicContact CE2-CZ 3.82Å; Y34-F72 HydrophobicContact CG-CE1 4.33Å; Y34-F72 AromaticContact CZ-CE1 3.94Å; Y34-F134 HydrophobicContact CD2-CD1 4.35Å; Y34-F134 AromaticContact CD2-CE1 3.83Å; Y34-F134 HydrophobicContact CD2-CE1 3.83Å; Y34-F134 HydrophobicContact CG-CE1 4.4Å; Y34-V162 HydrophobicContact CE2-CG2 4.35Å
35E97.1Very high95.7Very high139 Ų13979.3 Ų79.365%0.6544%0.439SS*.Hα-helixtrans-71-41.8-178.8-178.3176.5-175.100111D33 A37 A38 N39D33-E35 VanDerWaalsContact C-N 3.3Å; D33-E35 PolarHBondContact O-N 3.39Å; D33-E35 WeakPolarHBondContact OD1-CA 3.32Å; D33-E35 WeakPolarHBondContact OD1-CB 3.19Å; D33-E35 PolarHBondContact OD1-N 3.25Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 2.62Å; E35-A38 PolarHBondContact O-N 2.82Å; E35-N39 VanDerWaalsContact CG-ND2 3.31Å; E35-N39 WeakPolarHBondContact CG-ND2 3.38Å; E35-N39 VanDerWaalsContact O-CB 3.32Å; E35-N39 WeakPolarHBondContact O-CB 3.31Å; E35-N39 PolarHBondContact O-N 3.31Å; E35-N39 PolarHBondContact O-ND2 3.18Å
36T97.4Very high95.8Very high42 Ų4272.1 Ų72.126%0.25840%0.401SS..Hα-helixtrans-60.6-43173.2-66.10000111.5I32 D33 G40 K41 A42I32-T36 HydrophobicContact CG2-CG2 4.35Å; D33-T36 PolarHBondContact O-N 3.15Å; D33-T36 PolarHBondContact OD1-N 3.3Å; D33-T36 PolarHBondContact OD1-OG1 2.96Å; D33-T36 VanDerWaalsContact OD2-CB 3.25Å; D33-T36 WeakPolarHBondContact OD2-CB 3.31Å; D33-T36 PolarHBondContact OD2-OG1 3Å; T36-G40 PolarHBondContact O-N 3.18Å; T36-K41 HydrophobicContact CG2-CB 4.11Å; T36-K41 PolarHBondContact O-N 3.17Å; T36-A42 HydrophobicContact CG2-CB 4.42Å
37A97.6Very high95.9Very high0 Ų070.8 Ų70.80%039%0.394CS..Hα-helixtrans-63.2-50.917500000112I32 D33 Y34 E35 N39 G40 V46 F72 P73 F134I32-A37 HydrophobicContact CG2-CB 3.84Å; D33-A37 PolarHBondContact O-N 3.29Å; Y34-A37 PolarHBondContact O-N 3.06Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 2.62Å; A37-N39 VanDerWaalsContact C-N 3.29Å; A37-N39 PolarHBondContact O-N 2.78Å; A37-G40 PolarHBondContact O-N 2.82Å; A37-V46 HydrophobicContact CB-CG1 4.27Å; A37-V46 HydrophobicContact CB-CG2 3.87Å; A37-F72 HydrophobicContact CB-CD1 3.56Å; A37-F72 HydrophobicContact CB-CD2 4.2Å; A37-F72 HydrophobicContact CB-CE1 3.61Å; A37-F72 HydrophobicContact CB-CE2 4.26Å; A37-F72 HydrophobicContact CB-CG 3.85Å; A37-F72 HydrophobicContact CB-CZ 3.96Å; A37-P73 VanDerWaalsContact O-CD 3.31Å; A37-P73 WeakPolarHBondContact O-CD 3.38Å; A37-F134 HydrophobicContact CB-CE2 3.8Å; A37-F134 HydrophobicContact CB-CZ 3.99Å
38A97.2Very high96.1Very high44 Ų4465.4 Ų65.436%0.36437%0.365SS..Hα-helixtrans-60.7-36.6-178.800000112.9Y34 E35 G40 F72 P73Y34-A38 HydrophobicContact CD1-CB 4.42Å; Y34-A38 HydrophobicContact CE1-CB 4.39Å; Y34-A38 VanDerWaalsContact O-CB 3.24Å; Y34-A38 WeakPolarHBondContact O-CB 3.49Å; Y34-A38 PolarHBondContact O-N 2.79Å; E35-A38 PolarHBondContact O-N 2.82Å; A38-G40 VanDerWaalsContact C-N 3.28Å; A38-G40 PolarHBondContact O-N 2.57Å; A38-F72 HydrophobicContact CB-CD1 4.36Å; A38-P73 WeakPolarHBondContact O-CG 3.45Å
39N97.6Very high96.2Very high90 Ų9063.1 Ų63.148%0.48136%0.356SS..THydrogen-bonded Turntrans-82.6-0.5178-70.2-48000113.9E35 A37 K41E35-N39 VanDerWaalsContact CG-ND2 3.31Å; E35-N39 WeakPolarHBondContact CG-ND2 3.38Å; E35-N39 VanDerWaalsContact O-CB 3.32Å; E35-N39 WeakPolarHBondContact O-CB 3.31Å; E35-N39 PolarHBondContact O-N 3.31Å; E35-N39 PolarHBondContact O-ND2 3.18Å; A37-N39 VanDerWaalsContact C-N 3.29Å; A37-N39 PolarHBondContact O-N 2.78Å; N39-K41 VanDerWaalsContact C-N 3.3Å; N39-K41 HydrophobicContact CB-CD 4.16Å; N39-K41 HydrophobicContact CB-CG 4.14Å; N39-K41 PolarHBondContact O-N 2.82Å
40G95.2Very high96.5Very high47 Ų4758.7 Ų58.749%0.48533%0.325SS..THydrogen-bonded Turntrans67.427.5-179.300000113.9T36 A37 A38T36-G40 PolarHBondContact O-N 3.18Å; A37-G40 PolarHBondContact O-N 2.82Å; A38-G40 VanDerWaalsContact C-N 3.28Å; A38-G40 PolarHBondContact O-N 2.57Å
41K96.6Very high96.8Very high156 Ų15651.5 Ų51.568%0.67829%0.292SS*.  trans-101.17.2-175.8-67-179.5-177.5172.50113.9T36 N39 G43T36-K41 HydrophobicContact CG2-CB 4.11Å; T36-K41 PolarHBondContact O-N 3.17Å; N39-K41 VanDerWaalsContact C-N 3.3Å; N39-K41 HydrophobicContact CB-CD 4.16Å; N39-K41 HydrophobicContact CB-CG 4.14Å; N39-K41 PolarHBondContact O-N 2.82Å; K41-G43 PolarHBondContact O-N 2.73Å
42A94.2Very high97Very high24 Ų2446.8 Ų46.820%0.19828%0.277CS..SBendtrans-65.1-16.3-176.200000115.4I32 T36 R44 V46I32-A42 HydrophobicContact CD1-CB 3.73Å; I32-A42 HydrophobicContact CG1-CB 4.21Å; I32-A42 HydrophobicContact CG2-CB 4.06Å; T36-A42 HydrophobicContact CG2-CB 4.42Å; A42-R44 PolarHBondContact O-N 3.3Å; A42-V46 HydrophobicContact CB-CG2 3.98Å
43G93.9Very high97.1Very high88 Ų8847.7 Ų47.791%0.90728%0.282SS*.SBendtrans72.5-14.9-17900000115.5K41K41-G43 PolarHBondContact O-N 2.73Å
44R95.7Very high97.2Very high49 Ų4944.5 Ų44.519%0.18526%0.264CS..SBendtrans-139.7165.5171.462.7168.4177.373.11.3110.5D27 I32 A42 V46 D133D27-R44 PolarHBondContact O-NE 3.3Å; I32-R44 HydrophobicContact CD1-CG 4.27Å; A42-R44 PolarHBondContact O-N 3.3Å; R44-V46 PolarHBondContact O-N 3.18Å; R44-D133 IonicContact CZ-OD1 2.96Å; R44-D133 IonicContact CZ-OD2 3.41Å; R44-D133 IonicContact NH1-OD1 3.01Å; R44-D133 IonicContact NH1-OD2 2.94Å; R44-D133 PolarHBondContact NH1-OD2 2.91Å; R44-D133 IonicContact NH2-OD1 3.28Å; R44-D133 PolarHBondContact NH2-OD1 3.01Å; R44-D133 IonicContact NH2-OD2 2.74Å; R44-D133 PolarHBondContact NH2-OD2 3.15Å
45P97.2Very high97.3Very high61 Ų6139.4 Ų39.440%0.39625%0.245SC..  trans-54.7134.2169.2-24.935000111.3R47P45-R47 PolarHBondContact O-N 2.73Å
46V98.4Very high97.3Very high3 Ų334.7 Ų34.72%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-75.3119.7175-178.70000108A37 A42 R44 V48 F72 C74 V75 Y76 D133 F134A37-V46 HydrophobicContact CB-CG1 4.27Å; A37-V46 HydrophobicContact CB-CG2 3.87Å; A42-V46 HydrophobicContact CB-CG2 3.98Å; R44-V46 PolarHBondContact O-N 3.18Å; V46-V48 HydrophobicContact CG1-CG2 4.19Å; V46-V48 PolarHBondContact O-N 3.28Å; V46-F72 HydrophobicContact CB-CD2 4.14Å; V46-F72 HydrophobicContact CG1-CD2 3.62Å; V46-F72 HydrophobicContact CG1-CE2 3.91Å; V46-F72 HydrophobicContact CG1-CG 4.44Å; V46-F72 HydrophobicContact CG2-CB 4.46Å; V46-C74 PolarHBondContact N-O 3.14Å; V46-V75 CarbonylContact O-C 3.52Å; V46-V75 VanDerWaalsContact O-CA 3.29Å; V46-V75 WeakPolarHBondContact O-CA 3.44Å; V46-Y76 PolarHBondContact O-N 2.91Å; V46-D133 HydrophobicContact CG1-CB 4.05Å; V46-F134 HydrophobicContact CG1-CD2 3.44Å; V46-F134 VanDerWaalsContact CG1-CD2 3.44Å; V46-F134 HydrophobicContact CG1-CE2 3.54Å
47R98.6Very high97.3Very high8 Ų835.3 Ų35.33%0.0322%0.223CC..EExtended strand (participates in β ladder)trans-85.2108-177.6-70.817764.181.1-3.4109P45 Y76 E113 M130 K131 D133 F134P45-R47 PolarHBondContact O-N 2.73Å; R47-Y76 WeakPolarHBondContact CA-O 3.25Å; R47-Y76 HydrophobicContact CG-CD1 4.49Å; R47-Y76 VanDerWaalsContact NH1-CD1 3.28Å; R47-Y76 VanDerWaalsContact NH1-CE1 3.28Å; R47-E113 IonicContact CZ-OE2 2.82Å; R47-E113 IonicContact NH1-OE2 3.72Å; R47-E113 IonicContact NH2-OE2 3.57Å; R47-E113 PolarHBondContact NH2-OE2 3.11Å; R47-M130 PolarHBondContact NE-O 3.32Å; R47-M130 PolarHBondContact NH2-O 2.96Å; R47-K131 WeakPolarHBondContact CB-O 3.3Å; R47-K131 WeakPolarHBondContact CD-O 3.34Å; R47-K131 PolarHBondContact NE-O 3.44Å; R47-D133 PolarHBondContact N-OD2 3.41Å; R47-D133 WeakPolarHBondContact O-CB 3.38Å; R47-D133 PolarHBondContact O-N 3.12Å; R47-F134 PolarHBondContact O-N 3.41Å
48V98.8Very high97.3Very high0 Ų036.7 Ų36.70%023%0.229CC..EExtended strand (participates in β ladder)trans-106134.6178.6-178.80000108.1V46 A68 F72 V75 Y76 L77 I78 F134 A136V46-V48 HydrophobicContact CG1-CG2 4.19Å; V46-V48 PolarHBondContact O-N 3.28Å; V48-A68 HydrophobicContact CG1-CB 4.26Å; V48-F72 HydrophobicContact CG2-CD2 4.06Å; V48-F72 HydrophobicContact CG2-CE2 4.1Å; V48-V75 HydrophobicContact CB-CG1 3.83Å; V48-V75 HydrophobicContact CG2-CG1 3.65Å; V48-V75 HydrophobicContact CG2-CG2 4.13Å; V48-Y76 PolarHBondContact N-O 2.83Å; V48-L77 HydrophobicContact CB-CD1 4.25Å; V48-L77 HydrophobicContact CG1-CD1 4.16Å; V48-L77 WeakPolarHBondContact O-CA 3.36Å; V48-I78 PolarHBondContact O-N 3.17Å; V48-F134 CarbonylContact C-O 3.56Å; V48-F134 VanDerWaalsContact CA-O 3.31Å; V48-F134 WeakPolarHBondContact CA-O 3.5Å; V48-F134 HydrophobicContact CG2-CB 4.38Å; V48-A136 HydrophobicContact CG1-CB 3.71Å
49Y98.8Very high97.3Very high0 Ų039.4 Ų39.40%023%0.234CC..EExtended strand (participates in β ladder)trans-110.3132.7175.3178.3-106.2000110.4D51 I78 A118 V122 F126 I132 F134 I135 A136Y49-D51 HydrophobicContact CE1-CB 3.61Å; Y49-I78 CarbonylContact C-O 3.55Å; Y49-I78 VanDerWaalsContact CA-O 3.3Å; Y49-I78 WeakPolarHBondContact CA-O 3.49Å; Y49-I78 HydrophobicContact CD2-CB 4.05Å; Y49-I78 HydrophobicContact CD2-CG2 3.87Å; Y49-I78 HydrophobicContact CE2-CG2 4.33Å; Y49-A118 WeakPolarHBondContact OH-CB 3.42Å; Y49-V122 HydrophobicContact CE1-CG1 4.44Å; Y49-V122 HydrophobicContact CE1-CG2 3.88Å; Y49-F126 HydrophobicContact CD1-CE1 4.34Å; Y49-F126 HydrophobicContact CD2-CE1 4.37Å; Y49-F126 AromaticContact CE1-CE1 3.92Å; Y49-F126 HydrophobicContact CE1-CE1 3.92Å; Y49-F126 AromaticContact CE2-CE1 3.95Å; Y49-F126 HydrophobicContact CE2-CE1 3.95Å; Y49-F126 AromaticContact CE2-CZ 3.98Å; Y49-F126 HydrophobicContact CE2-CZ 3.98Å; Y49-F126 AromaticContact CZ-CE1 3.7Å; Y49-F126 AromaticContact CZ-CZ 3.94Å; Y49-I132 HydrophobicContact CD1-CD1 4.44Å; Y49-I132 HydrophobicContact CD2-CD1 3.87Å; Y49-I132 HydrophobicContact CG-CD1 3.74Å; Y49-F134 PolarHBondContact N-O 3.34Å; Y49-I135 HydrophobicContact CD1-CD1 3.88Å; Y49-I135 HydrophobicContact CD1-CG1 4.02Å; Y49-I135 HydrophobicContact CE1-CD1 4.3Å; Y49-I135 CarbonylContact O-C 3.58Å; Y49-I135 WeakPolarHBondContact O-CA 3.43Å; Y49-A136 PolarHBondContact O-N 2.92Å
50A98.6Very high97.3Very high1 Ų135.5 Ų35.51%0.00822%0.215CC..EExtended strand (participates in β ladder)trans-126.9135169.300000109L65 A68 L77 I78 V79 G80 A136A50-L65 HydrophobicContact CB-CD2 4.05Å; A50-A68 HydrophobicContact CB-CB 4.43Å; A50-L77 HydrophobicContact CB-CD1 4.25Å; A50-I78 PolarHBondContact N-O 2.73Å; A50-V79 CarbonylContact O-C 3.53Å; A50-V79 VanDerWaalsContact O-CA 3.25Å; A50-V79 WeakPolarHBondContact O-CA 3.28Å; A50-G80 PolarHBondContact O-N 3.48Å; A50-A136 HydrophobicContact CB-CB 4.36Å
51D97.7Very high97.5Very high10 Ų1034.6 Ų34.65%0.05320%0.198CC..EExtended strand (participates in β ladder)trans-119156.8-179.663.1-41000113.2Y49 Y54 G80 H137 Y152Y49-D51 HydrophobicContact CE1-CB 3.61Å; D51-Y54 PolarHBondContact O-OH 2.72Å; D51-G80 VanDerWaalsContact CA-O 3.29Å; D51-G80 WeakPolarHBondContact CA-O 3.31Å; D51-H137 IonicContact OD1-CD2 2.62Å; D51-Y152 PolarHBondContact OD1-OH 3.19Å; D51-Y152 PolarHBondContact OD2-OH 3.12Å; D51-Y152 VanDerWaalsContact OD2-OH 3.13Å
52G97.2Very high97.6Very high19 Ų1928.2 Ų28.220%0.19618%0.175CC..EExtended strand (participates in β ladder)trans175.2174.717700000113.6Y54 G80 V81 C82G52-Y54 VanDerWaalsContact N-CE2 3.33Å; G52-Y54 WeakPolarHBondContact O-CD2 3.33Å; G52-G80 PolarHBondContact N-O 2.94Å; G52-V81 WeakPolarHBondContact O-CA 3.33Å; G52-C82 PolarHBondContact O-N 3.37Å
53I98Very high97.8Very high32 Ų3233.3 Ų33.316%0.16419%0.189CC..  trans-78.6-41.1174.1-60.1163.5000110.3D55 T87 K91 T94 R101 W120I53-D55 VanDerWaalsContact C-N 3.26Å; I53-D55 HydrophobicContact CG2-CB 3.96Å; I53-D55 PolarHBondContact O-N 2.77Å; I53-T87 HydrophobicContact CB-CG2 4.4Å; I53-T87 HydrophobicContact CD1-CG2 3.67Å; I53-T87 HydrophobicContact CG1-CG2 3.79Å; I53-T87 HydrophobicContact CG2-CG2 3.68Å; I53-K91 HydrophobicContact CD1-CB 4.13Å; I53-K91 HydrophobicContact CD1-CD 3.81Å; I53-K91 HydrophobicContact CD1-CG 3.86Å; I53-T94 HydrophobicContact CG2-CG2 3.79Å; I53-R101 WeakPolarHBondContact O-CD 3.42Å; I53-R101 PolarHBondContact O-NH1 3.46Å; I53-W120 HydrophobicContact CD1-CH2 4.13Å; I53-W120 HydrophobicContact CD1-CZ3 4.45Å; I53-W120 HydrophobicContact CG1-CH2 4.36Å; I53-W120 HydrophobicContact CG1-CZ3 4.24Å
54Y98.3Very high98Very high5 Ų530.6 Ų30.62%0.0215%0.153CC..  trans58.329.8-179.8-58.2-68000115.5D51 G52 F57 H61 L65 V79 G80 V81 V105D51-Y54 PolarHBondContact O-OH 2.72Å; G52-Y54 VanDerWaalsContact N-CE2 3.33Å; G52-Y54 WeakPolarHBondContact O-CD2 3.33Å; Y54-F57 HydrophobicContact CD1-CD2 4.34Å; Y54-F57 HydrophobicContact CD1-CE2 4.15Å; Y54-H61 HydrophobicContact CD1-CB 3.93Å; Y54-H61 AromaticContact CD1-CG 3.86Å; Y54-H61 HydrophobicContact CE1-CB 4.32Å; Y54-L65 HydrophobicContact CE1-CD1 4.45Å; Y54-L65 HydrophobicContact CE1-CD2 4.24Å; Y54-L65 HydrophobicContact CE1-CG 4.46Å; Y54-L65 WeakPolarHBondContact OH-CD2 3.42Å; Y54-V79 HydrophobicContact CD2-CG1 4.22Å; Y54-V79 HydrophobicContact CE2-CG1 3.38Å; Y54-G80 WeakPolarHBondContact CE2-O 3.29Å; Y54-V81 HydrophobicContact CD2-CB 4.44Å; Y54-V81 HydrophobicContact CD2-CG1 4.37Å; Y54-V81 HydrophobicContact CD2-CG2 3.92Å; Y54-V81 HydrophobicContact CE2-CG2 4.42Å; Y54-V105 HydrophobicContact CD1-CG2 4.4Å; Y54-V105 HydrophobicContact CD2-CG2 3.93Å; Y54-V105 HydrophobicContact CG-CG2 3.71Å
55D98.2Very high98.2Very high9 Ų928.2 Ų28.25%0.04814%0.144CC..THydrogen-bonded Turntrans-66.3141.1176.3-170.927.6000112.3I53 F57 H61 T94 V95 S96 T172I53-D55 VanDerWaalsContact C-N 3.26Å; I53-D55 HydrophobicContact CG2-CB 3.96Å; I53-D55 PolarHBondContact O-N 2.77Å; D55-F57 PolarHBondContact O-N 3.46Å; D55-H61 PolarHBondContact O-CE1 2.75Å; D55-T94 HydrophobicContact CB-CG2 4.14Å; D55-T94 WeakPolarHBondContact OD2-CA 3.35Å; D55-V95 PolarHBondContact OD1-N 2.69Å; D55-V95 PolarHBondContact OD2-N 2.93Å; D55-S96 WeakPolarHBondContact OD1-CB 3.43Å; D55-S96 PolarHBondContact OD1-N 3.37Å; D55-T172 HydrophobicContact CB-CG2 4.21Å; D55-T172 PolarHBondContact O-OG1 2.87Å
56L97.5Very high98.2Very high41 Ų4129 Ų2922%0.21514%0.143CC..THydrogen-bonded Turntrans45.160.6-171.2-60.8-177.9000112.1H58 V95 T172 V175 I176L56-H58 PolarHBondContact O-CD2 3.39Å; L56-H58 PolarHBondContact O-N 3.1Å; L56-V95 HydrophobicContact CD1-CB 4.15Å; L56-V95 HydrophobicContact CD1-CG1 4.43Å; L56-V95 HydrophobicContact CD1-CG2 4.05Å; L56-V95 HydrophobicContact CD2-CB 3.88Å; L56-V95 HydrophobicContact CD2-CG1 3.79Å; L56-V95 HydrophobicContact CG-CB 3.97Å; L56-V95 HydrophobicContact CG-CG1 4.37Å; L56-V95 HydrophobicContact CG-CG2 4.37Å; L56-T172 HydrophobicContact CB-CG2 4.27Å; L56-T172 HydrophobicContact CD1-CG2 4.12Å; L56-T172 HydrophobicContact CG-CG2 4.28Å; L56-V175 HydrophobicContact CD1-CB 4.32Å; L56-V175 HydrophobicContact CD1-CG1 3.81Å; L56-I176 HydrophobicContact CD1-CG1 4.22Å
57F98.3Very high98.2Very high55 Ų5531.5 Ų31.524%0.24115%0.154CC..  trans-48112.7-170.8-167.9-87.1000112.9Y54 D55 H61 A62 L65 A104 V105 C108Y54-F57 HydrophobicContact CD1-CD2 4.34Å; Y54-F57 HydrophobicContact CD1-CE2 4.15Å; D55-F57 PolarHBondContact O-N 3.46Å; F57-H61 HydrophobicContact CD2-CB 3.93Å; F57-H61 HydrophobicContact CE2-CB 3.58Å; F57-H61 HydrophobicContact CZ-CB 3.91Å; F57-A62 HydrophobicContact CE1-CB 4.1Å; F57-A62 HydrophobicContact CZ-CB 4.28Å; F57-L65 HydrophobicContact CE2-CD1 4.03Å; F57-L65 HydrophobicContact CZ-CD1 4.02Å; F57-A104 HydrophobicContact CB-CB 3.7Å; F57-A104 HydrophobicContact CG-CB 4.28Å; F57-V105 HydrophobicContact CD2-CG2 3.73Å; F57-V105 HydrophobicContact CE2-CG2 3.82Å; F57-C108 HydrophobicContact CE1-CB 4.25Å; F57-C108 HydrophobicContact CZ-CB 3.88Å
58H97.6Very high98.2Very high28 Ų2831.1 Ų31.113%0.1315%0.153CC..  trans-124.4172.4-174.357.656.6000112.2L56 G60 H61 A62 V170 T172L56-H58 PolarHBondContact O-CD2 3.39Å; L56-H58 PolarHBondContact O-N 3.1Å; H58-G60 WeakPolarHBondContact ND1-CA 3.41Å; H58-G60 PolarHBondContact ND1-N 3.25Å; H58-G60 VanDerWaalsContact ND1-N 3.19Å; H58-G60 PolarHBondContact O-N 2.87Å; H58-G60 VanDerWaalsContact O-N 3.08Å; H58-H61 AromaticContact CD2-CE1 3.71Å; H58-H61 AromaticContact CE1-CD2 3.73Å; H58-H61 AromaticContact CE1-CE1 3.53Å; H58-H61 AromaticContact CE1-CG 3.87Å; H58-H61 AromaticContact CE1-ND1 3.78Å; H58-H61 AromaticContact CE1-NE2 3.5Å; H58-H61 PolarHBondContact CE1-NE2 2.84Å; H58-H61 PolarHBondContact N-ND1 2.92Å; H58-H61 AromaticContact ND1-CE1 4Å; H58-H61 AromaticContact ND1-CG 3.97Å; H58-H61 PolarHBondContact ND1-N 3.09Å; H58-H61 AromaticContact ND1-ND1 3.83Å; H58-H61 AromaticContact NE2-CE1 3.37Å; H58-H61 PolarHBondContact NE2-CE1 3.33Å; H58-H61 AromaticContact NE2-ND1 3.95Å; H58-H61 AromaticContact NE2-NE2 3.55Å; H58-H61 WeakPolarHBondContact O-CB 3.34Å; H58-H61 PolarHBondContact O-N 2.85Å; H58-A62 PolarHBondContact O-N 3.08Å; H58-V170 HydrophobicContact CB-CG2 4.13Å; H58-T172 PolarHBondContact NE2-N 3.01Å
59H97.7Very high98.2Very high101 Ų10133.5 Ų33.547%0.46816%0.163SC..Hα-helixtrans-58.5-26.3-176.569.5-82.9000114.6A62 R63H59-A62 PolarHBondContact O-N 3.44Å; H59-R63 WeakPolarHBondContact O-CB 3.5Å; H59-R63 WeakPolarHBondContact O-CG 3.34Å; H59-R63 PolarHBondContact O-N 3.48Å
60G97.8Very high98.2Very high8 Ų837.6 Ų37.68%0.08219%0.188CC..Hα-helixtrans-58.9-46.117000000113.5H58 R63 Q64H58-G60 WeakPolarHBondContact ND1-CA 3.41Å; H58-G60 PolarHBondContact ND1-N 3.25Å; H58-G60 VanDerWaalsContact ND1-N 3.19Å; H58-G60 PolarHBondContact O-N 2.87Å; H58-G60 VanDerWaalsContact O-N 3.08Å; G60-R63 PolarHBondContact O-N 3.3Å; G60-Q64 PolarHBondContact O-N 3.31Å
61H98.5Very high98.2Very high28 Ų2839 Ų3913%0.1320%0.2CC..Hα-helixtrans-63-46.9173.9-58.1142.4000110.7Y54 D55 F57 H58 R63 Q64 L65Y54-H61 HydrophobicContact CD1-CB 3.93Å; Y54-H61 AromaticContact CD1-CG 3.86Å; Y54-H61 HydrophobicContact CE1-CB 4.32Å; D55-H61 PolarHBondContact O-CE1 2.75Å; F57-H61 HydrophobicContact CD2-CB 3.93Å; F57-H61 HydrophobicContact CE2-CB 3.58Å; F57-H61 HydrophobicContact CZ-CB 3.91Å; H58-H61 AromaticContact CD2-CE1 3.71Å; H58-H61 AromaticContact CE1-CD2 3.73Å; H58-H61 AromaticContact CE1-CE1 3.53Å; H58-H61 AromaticContact CE1-CG 3.87Å; H58-H61 AromaticContact CE1-ND1 3.78Å; H58-H61 AromaticContact CE1-NE2 3.5Å; H58-H61 PolarHBondContact CE1-NE2 2.84Å; H58-H61 PolarHBondContact N-ND1 2.92Å; H58-H61 AromaticContact ND1-CE1 4Å; H58-H61 AromaticContact ND1-CG 3.97Å; H58-H61 PolarHBondContact ND1-N 3.09Å; H58-H61 AromaticContact ND1-ND1 3.83Å; H58-H61 AromaticContact NE2-CE1 3.37Å; H58-H61 PolarHBondContact NE2-CE1 3.33Å; H58-H61 AromaticContact NE2-ND1 3.95Å; H58-H61 AromaticContact NE2-NE2 3.55Å; H58-H61 WeakPolarHBondContact O-CB 3.34Å; H58-H61 PolarHBondContact O-N 2.85Å; H61-R63 PolarHBondContact O-N 2.94Å; H61-Q64 WeakPolarHBondContact O-CB 3.43Å; H61-Q64 PolarHBondContact O-N 3.02Å; H61-Q64 VanDerWaalsContact O-N 3.08Å; H61-L65 WeakPolarHBondContact O-CG 3.35Å; H61-L65 PolarHBondContact O-N 2.89Å
62A98.6Very high98.2Very high22 Ų2239 Ų3918%0.18220%0.2CC..Hα-helixtrans-58.3-35.2177.900000112.9F57 H58 H59 M66 Y110F57-A62 HydrophobicContact CE1-CB 4.1Å; F57-A62 HydrophobicContact CZ-CB 4.28Å; H58-A62 PolarHBondContact O-N 3.08Å; H59-A62 PolarHBondContact O-N 3.44Å; A62-M66 WeakPolarHBondContact O-CB 3.48Å; A62-M66 PolarHBondContact O-N 3.27Å; A62-Y110 VanDerWaalsContact O-CD2 3.31Å; A62-Y110 WeakPolarHBondContact O-CD2 3.45Å; A62-Y110 VanDerWaalsContact O-CE2 3.28Å; A62-Y110 WeakPolarHBondContact O-CE2 3.44Å
63R98.3Very high98.2Very high131 Ų13142.7 Ų42.749%0.49422%0.22SC..Hα-helixtrans-73.2-35.2175.2-77.2176.6177171.70.6113.2H59 G60 H61 M66 Q67 T167H59-R63 WeakPolarHBondContact O-CB 3.5Å; H59-R63 WeakPolarHBondContact O-CG 3.34Å; H59-R63 PolarHBondContact O-N 3.48Å; G60-R63 PolarHBondContact O-N 3.3Å; H61-R63 PolarHBondContact O-N 2.94Å; R63-M66 WeakPolarHBondContact O-CB 3.32Å; R63-M66 PolarHBondContact O-N 3.46Å; R63-Q67 WeakPolarHBondContact O-CG 3.3Å; R63-Q67 PolarHBondContact O-N 3.43Å; R63-Q67 VanDerWaalsContact O-N 3.09Å; R63-Q67 PolarHBondContact O-NE2 3.17Å; R63-Q67 VanDerWaalsContact O-NE2 3.1Å; R63-T167 WeakPolarHBondContact CB-OG1 3.43Å; R63-T167 WeakPolarHBondContact CD-OG1 3.32Å
64Q98.4Very high98.2Very high31 Ų3144.5 Ų44.515%0.14524%0.235CC..Hα-helixtrans-61.8-48.7171.2-177.5-166.515.300110.3G60 H61 M66 Q67 A68 T164G60-Q64 PolarHBondContact O-N 3.31Å; H61-Q64 WeakPolarHBondContact O-CB 3.43Å; H61-Q64 PolarHBondContact O-N 3.02Å; H61-Q64 VanDerWaalsContact O-N 3.08Å; Q64-M66 VanDerWaalsContact C-N 3.32Å; Q64-M66 PolarHBondContact O-N 2.84Å; Q64-Q67 WeakPolarHBondContact O-CB 3.26Å; Q64-Q67 PolarHBondContact O-N 2.91Å; Q64-Q67 VanDerWaalsContact O-N 3.12Å; Q64-A68 PolarHBondContact O-N 3.12Å; Q64-A68 VanDerWaalsContact O-N 3.08Å; Q64-T164 HydrophobicContact CG-CG2 4.41Å
65L98.8Very high98.2Very high0 Ų044.7 Ų44.70%024%0.237CC..Hα-helixtrans-65.6-34.9178.5-61.8-179.2000112.3A50 Y54 F57 H61 A68 K69 L77 V79 V111A50-L65 HydrophobicContact CB-CD2 4.05Å; Y54-L65 HydrophobicContact CE1-CD1 4.45Å; Y54-L65 HydrophobicContact CE1-CD2 4.24Å; Y54-L65 HydrophobicContact CE1-CG 4.46Å; Y54-L65 WeakPolarHBondContact OH-CD2 3.42Å; F57-L65 HydrophobicContact CE2-CD1 4.03Å; F57-L65 HydrophobicContact CZ-CD1 4.02Å; H61-L65 WeakPolarHBondContact O-CG 3.35Å; H61-L65 PolarHBondContact O-N 2.89Å; L65-A68 PolarHBondContact O-N 3.5Å; L65-K69 VanDerWaalsContact O-CB 3.3Å; L65-K69 WeakPolarHBondContact O-CB 3.04Å; L65-K69 PolarHBondContact O-N 2.91Å; L65-L77 HydrophobicContact CB-CD2 4.13Å; L65-L77 HydrophobicContact CD2-CD2 4.31Å; L65-L77 WeakPolarHBondContact O-CD2 3.33Å; L65-V79 HydrophobicContact CD1-CG1 4.5Å; L65-V79 HydrophobicContact CD1-CG2 4.25Å; L65-V79 HydrophobicContact CD2-CG1 4.05Å; L65-V79 HydrophobicContact CD2-CG2 3.57Å; L65-V79 HydrophobicContact CG-CG2 4.48Å; L65-V111 HydrophobicContact CD1-CG2 3.7Å
66M98.7Very high98.2Very high76 Ų7646.4 Ų46.437%0.37424%0.243SC..Hα-helixtrans-57.4-48.9170.1-179.2178.3156.200111.2A62 R63 Q64 A68 K69 T70 Y110A62-M66 WeakPolarHBondContact O-CB 3.48Å; A62-M66 PolarHBondContact O-N 3.27Å; R63-M66 WeakPolarHBondContact O-CB 3.32Å; R63-M66 PolarHBondContact O-N 3.46Å; Q64-M66 VanDerWaalsContact C-N 3.32Å; Q64-M66 PolarHBondContact O-N 2.84Å; M66-A68 VanDerWaalsContact C-N 3.33Å; M66-A68 PolarHBondContact O-N 3.47Å; M66-K69 PolarHBondContact O-N 3.39Å; M66-T70 HydrophobicContact CG-CG2 4.46Å; M66-T70 WeakPolarHBondContact O-CG2 3.42Å; M66-T70 PolarHBondContact O-N 2.88Å; M66-T70 PolarHBondContact O-OG1 3.15Å; M66-Y110 HydrophobicContact CB-CD1 4.06Å; M66-Y110 HydrophobicContact CB-CD2 3.91Å; M66-Y110 HydrophobicContact CB-CE1 3.77Å; M66-Y110 HydrophobicContact CB-CE2 3.64Å; M66-Y110 HydrophobicContact CB-CG 4.12Å; M66-Y110 HydrophobicContact CG-CD1 4.16Å; M66-Y110 HydrophobicContact CG-CE1 3.57Å; M66-Y110 HydrophobicContact CG-CE2 4.25Å; M66-Y110 HydrophobicContact SD-CE1 4.17Å; M66-Y110 PolarHBondContact SD-OH 3.43Å; M66-Y110 VanDerWaalsContact SD-OH 3.33Å
67Q98.7Very high98.3Very high56 Ų5644.4 Ų44.426%0.26223%0.232SC..Hα-helixtrans-59.7-44.7179.8-71.5168.878.100111.3R63 Q64 T70 A71 T164 Q165R63-Q67 WeakPolarHBondContact O-CG 3.3Å; R63-Q67 PolarHBondContact O-N 3.43Å; R63-Q67 VanDerWaalsContact O-N 3.09Å; R63-Q67 PolarHBondContact O-NE2 3.17Å; R63-Q67 VanDerWaalsContact O-NE2 3.1Å; Q64-Q67 WeakPolarHBondContact O-CB 3.26Å; Q64-Q67 PolarHBondContact O-N 2.91Å; Q64-Q67 VanDerWaalsContact O-N 3.12Å; Q67-T70 CarbonylContact O-C 3.59Å; Q67-T70 PolarHBondContact O-N 3.27Å; Q67-A71 PolarHBondContact O-N 3.44Å; Q67-T164 HydrophobicContact CB-CG2 4.14Å; Q67-Q165 PolarHBondContact NE2-O 3.07Å
68A98.7Very high98.3Very high0 Ų041.8 Ų41.80%022%0.221CC..Hα-helixtrans-61.9-46.3175.700000112.1V48 A50 Q64 L65 M66 T70 A71 L77 A136V48-A68 HydrophobicContact CG1-CB 4.26Å; A50-A68 HydrophobicContact CB-CB 4.43Å; Q64-A68 PolarHBondContact O-N 3.12Å; Q64-A68 VanDerWaalsContact O-N 3.08Å; L65-A68 PolarHBondContact O-N 3.5Å; M66-A68 VanDerWaalsContact C-N 3.33Å; M66-A68 PolarHBondContact O-N 3.47Å; A68-T70 PolarHBondContact O-N 3.29Å; A68-A71 WeakPolarHBondContact O-CB 3.41Å; A68-A71 PolarHBondContact O-N 3.43Å; A68-L77 HydrophobicContact CB-CD1 3.64Å; A68-L77 HydrophobicContact CB-CD2 4.22Å; A68-A136 HydrophobicContact CB-CB 3.72Å
69K98.7Very high98.4Very high50 Ų5040.5 Ų40.522%0.21722%0.215CC..Hα-helixtrans-64.1-27.3178-17857.2170.8-175.80113.2L65 M66 V75 L77 Y110 D112L65-K69 VanDerWaalsContact O-CB 3.3Å; L65-K69 WeakPolarHBondContact O-CB 3.04Å; L65-K69 PolarHBondContact O-N 2.91Å; M66-K69 PolarHBondContact O-N 3.39Å; K69-V75 HydrophobicContact CD-CB 4.3Å; K69-V75 HydrophobicContact CD-CG1 4.24Å; K69-V75 PolarHBondContact NZ-O 3.13Å; K69-V75 WeakPolarHBondContact O-CB 3.3Å; K69-L77 HydrophobicContact CB-CB 4.5Å; K69-L77 HydrophobicContact CB-CD2 4.01Å; K69-L77 HydrophobicContact CD-CB 4.1Å; K69-Y110 HydrophobicContact CB-CD1 4.48Å; K69-Y110 WeakPolarHBondContact CD-O 3.42Å; K69-Y110 HydrophobicContact CG-CD1 4.43Å; K69-Y110 WeakPolarHBondContact CG-O 3.4Å; K69-D112 IonicContact NZ-OD1 3.61Å; K69-D112 PolarHBondContact NZ-OD1 3.08Å; K69-D112 IonicContact NZ-OD2 3.3Å; K69-D112 PolarHBondContact NZ-OD2 3.4Å
70T98.3Very high98.4Very high86 Ų8635.7 Ų35.753%0.52819%0.193SC..THydrogen-bonded Turntrans-106.211.9-179.464.40000113.4M66 Q67 A68 F72M66-T70 HydrophobicContact CG-CG2 4.46Å; M66-T70 WeakPolarHBondContact O-CG2 3.42Å; M66-T70 PolarHBondContact O-N 2.88Å; M66-T70 PolarHBondContact O-OG1 3.15Å; Q67-T70 CarbonylContact O-C 3.59Å; Q67-T70 PolarHBondContact O-N 3.27Å; A68-T70 PolarHBondContact O-N 3.29Å; T70-F72 PolarHBondContact O-N 3.27Å
71A98.2Very high98.5Very high31 Ų3135.3 Ų35.326%0.25619%0.189SC..SBendtrans-63.3-30.2-179.300000112.4Q67 A68 V162Q67-A71 PolarHBondContact O-N 3.44Å; A68-A71 WeakPolarHBondContact O-CB 3.41Å; A68-A71 PolarHBondContact O-N 3.43Å; A71-V162 HydrophobicContact CB-CG1 3.66Å; A71-V162 HydrophobicContact CB-CG2 4.42Å
72F98.4Very high98.5Very high10 Ų1034.2 Ų34.24%0.04418%0.184CC..SBendtrans-135.4164.8178.5-52.6-66.7000110.7Y34 A37 A38 V46 V48 T70 C74 V75 F134 V162Y34-F72 HydrophobicContact CD1-CE1 4.38Å; Y34-F72 HydrophobicContact CD2-CE1 4.09Å; Y34-F72 AromaticContact CD2-CZ 3.95Å; Y34-F72 HydrophobicContact CD2-CZ 3.95Å; Y34-F72 HydrophobicContact CE1-CE1 4.19Å; Y34-F72 AromaticContact CE2-CE1 3.9Å; Y34-F72 HydrophobicContact CE2-CE1 3.9Å; Y34-F72 AromaticContact CE2-CZ 3.82Å; Y34-F72 HydrophobicContact CE2-CZ 3.82Å; Y34-F72 HydrophobicContact CG-CE1 4.33Å; Y34-F72 AromaticContact CZ-CE1 3.94Å; A37-F72 HydrophobicContact CB-CD1 3.56Å; A37-F72 HydrophobicContact CB-CD2 4.2Å; A37-F72 HydrophobicContact CB-CE1 3.61Å; A37-F72 HydrophobicContact CB-CE2 4.26Å; A37-F72 HydrophobicContact CB-CG 3.85Å; A37-F72 HydrophobicContact CB-CZ 3.96Å; A38-F72 HydrophobicContact CB-CD1 4.36Å; V46-F72 HydrophobicContact CB-CD2 4.14Å; V46-F72 HydrophobicContact CG1-CD2 3.62Å; V46-F72 HydrophobicContact CG1-CE2 3.91Å; V46-F72 HydrophobicContact CG1-CG 4.44Å; V46-F72 HydrophobicContact CG2-CB 4.46Å; V48-F72 HydrophobicContact CG2-CD2 4.06Å; V48-F72 HydrophobicContact CG2-CE2 4.1Å; T70-F72 PolarHBondContact O-N 3.27Å; F72-C74 VanDerWaalsContact C-N 3.28Å; F72-C74 PolarHBondContact O-N 2.96Å; F72-V75 HydrophobicContact CB-CG2 3.76Å; F72-V75 HydrophobicContact CD2-CG2 4.01Å; F72-V75 HydrophobicContact CG-CG2 4.37Å; F72-F134 HydrophobicContact CD2-CD2 4.42Å; F72-F134 HydrophobicContact CE2-CB 4.4Å; F72-F134 HydrophobicContact CE2-CD1 4.34Å; F72-F134 AromaticContact CE2-CD2 3.49Å; F72-F134 HydrophobicContact CE2-CD2 3.49Å; F72-F134 VanDerWaalsContact CE2-CD2 3.49Å; F72-F134 AromaticContact CE2-CE2 3.79Å; F72-F134 HydrophobicContact CE2-CE2 3.79Å; F72-F134 AromaticContact CE2-CG 3.82Å; F72-F134 HydrophobicContact CE2-CG 3.82Å; F72-F134 HydrophobicContact CE2-CZ 4.35Å; F72-F134 HydrophobicContact CZ-CD1 4.09Å; F72-F134 AromaticContact CZ-CD2 3.9Å; F72-F134 HydrophobicContact CZ-CD2 3.9Å; F72-F134 HydrophobicContact CZ-CE1 4.06Å; F72-F134 AromaticContact CZ-CE2 3.87Å; F72-F134 HydrophobicContact CZ-CE2 3.87Å; F72-F134 HydrophobicContact CZ-CG 4.03Å; F72-F134 AromaticContact CZ-CZ 3.96Å; F72-F134 HydrophobicContact CZ-CZ 3.96Å; F72-V162 HydrophobicContact CE2-CG2 3.82Å; F72-V162 HydrophobicContact CZ-CG2 3.79Å
73P97.7Very high98.4Very high96 Ų9633.1 Ų33.162%0.62318%0.175SC*.SBendtrans-60.3-31.1-177.6-26.936.7000115.1A37 A38A37-P73 VanDerWaalsContact O-CD 3.31Å; A37-P73 WeakPolarHBondContact O-CD 3.38Å; A38-P73 WeakPolarHBondContact O-CG 3.45Å
74C96.6Very high98.4Very high70 Ų7028.3 Ų28.347%0.47316%0.16SC..SBendtrans-138.598.4179.2-171.50000109.8V46 F72V46-C74 PolarHBondContact N-O 3.14Å; F72-C74 VanDerWaalsContact C-N 3.28Å; F72-C74 PolarHBondContact O-N 2.96Å
75V98.6Very high98.4Very high10 Ų1037.6 Ų37.66%0.06119%0.193CC..EExtended strand (participates in β ladder)trans-112.2140.4-178.7171.80000110.6V46 V48 K69 F72 L77V46-V75 CarbonylContact O-C 3.52Å; V46-V75 VanDerWaalsContact O-CA 3.29Å; V46-V75 WeakPolarHBondContact O-CA 3.44Å; V48-V75 HydrophobicContact CB-CG1 3.83Å; V48-V75 HydrophobicContact CG2-CG1 3.65Å; V48-V75 HydrophobicContact CG2-CG2 4.13Å; K69-V75 HydrophobicContact CD-CB 4.3Å; K69-V75 HydrophobicContact CD-CG1 4.24Å; K69-V75 PolarHBondContact NZ-O 3.13Å; K69-V75 WeakPolarHBondContact O-CB 3.3Å; F72-V75 HydrophobicContact CB-CG2 3.76Å; F72-V75 HydrophobicContact CD2-CG2 4.01Å; F72-V75 HydrophobicContact CG-CG2 4.37Å; V75-L77 HydrophobicContact CG1-CB 4.23Å
76Y98.6Very high98.3Very high44 Ų4438.8 Ų38.817%0.17320%0.201CC..EExtended strand (participates in β ladder)trans-108108.9160-171.9-80.1000107.7V46 R47 V48 I78 D112 E113V46-Y76 PolarHBondContact O-N 2.91Å; R47-Y76 WeakPolarHBondContact CA-O 3.25Å; R47-Y76 HydrophobicContact CG-CD1 4.49Å; R47-Y76 VanDerWaalsContact NH1-CD1 3.28Å; R47-Y76 VanDerWaalsContact NH1-CE1 3.28Å; V48-Y76 PolarHBondContact N-O 2.83Å; Y76-I78 HydrophobicContact CD1-CG1 3.97Å; Y76-I78 HydrophobicContact CE1-CG1 4Å; Y76-D112 WeakPolarHBondContact CA-OD2 3.45Å; Y76-D112 HydrophobicContact CD1-CB 4.23Å; Y76-D112 HydrophobicContact CD2-CB 3.9Å; Y76-D112 HydrophobicContact CE1-CB 4.08Å; Y76-D112 HydrophobicContact CE2-CB 3.77Å; Y76-D112 HydrophobicContact CG-CB 4.14Å; Y76-E113 HydrophobicContact CE1-CB 3.63Å; Y76-E113 HydrophobicContact CE1-CG 4.46Å; Y76-E113 VanDerWaalsContact CE1-OE2 3.25Å; Y76-E113 WeakPolarHBondContact CE1-OE2 3.34Å
77L98.9Very high98.2Very high0 Ų035.2 Ų35.20%018%0.184CC..EExtended strand (participates in β ladder)trans-94.7116.4-173.9-179.764000110.6V48 A50 L65 A68 K69 V75 V79 Y110 D112 E113V48-L77 HydrophobicContact CB-CD1 4.25Å; V48-L77 HydrophobicContact CG1-CD1 4.16Å; V48-L77 WeakPolarHBondContact O-CA 3.36Å; A50-L77 HydrophobicContact CB-CD1 4.25Å; L65-L77 HydrophobicContact CB-CD2 4.13Å; L65-L77 HydrophobicContact CD2-CD2 4.31Å; L65-L77 WeakPolarHBondContact O-CD2 3.33Å; A68-L77 HydrophobicContact CB-CD1 3.64Å; A68-L77 HydrophobicContact CB-CD2 4.22Å; K69-L77 HydrophobicContact CB-CB 4.5Å; K69-L77 HydrophobicContact CB-CD2 4.01Å; K69-L77 HydrophobicContact CD-CB 4.1Å; V75-L77 HydrophobicContact CG1-CB 4.23Å; L77-V79 HydrophobicContact CD1-CG2 4.44Å; L77-V79 HydrophobicContact CD2-CG2 4.01Å; L77-V79 HydrophobicContact CG-CG2 3.88Å; L77-Y110 WeakPolarHBondContact CD2-O 3.5Å; L77-D112 PolarHBondContact N-OD2 2.82Å; L77-D112 PolarHBondContact O-N 2.89Å; L77-E113 PolarHBondContact O-N 3.01Å; L77-E113 VanDerWaalsContact O-N 3.16Å
78I98.9Very high98.1Very high0 Ų036.7 Ų36.70%019%0.19CC..EExtended strand (participates in β ladder)trans-98.2127.4172.1-50.3162.5000107.2V48 Y49 A50 Y76 E113 I132V48-I78 PolarHBondContact O-N 3.17Å; Y49-I78 CarbonylContact C-O 3.55Å; Y49-I78 VanDerWaalsContact CA-O 3.3Å; Y49-I78 WeakPolarHBondContact CA-O 3.49Å; Y49-I78 HydrophobicContact CD2-CB 4.05Å; Y49-I78 HydrophobicContact CD2-CG2 3.87Å; Y49-I78 HydrophobicContact CE2-CG2 4.33Å; A50-I78 PolarHBondContact N-O 2.73Å; Y76-I78 HydrophobicContact CD1-CG1 3.97Å; Y76-I78 HydrophobicContact CE1-CG1 4Å; I78-E113 CarbonylContact C-O 3.48Å; I78-E113 WeakPolarHBondContact CA-O 3.37Å; I78-E113 HydrophobicContact CB-CB 4.41Å; I78-E113 HydrophobicContact CG1-CB 4.16Å; I78-E113 HydrophobicContact CG2-CB 4.28Å; I78-E113 HydrophobicContact CG2-CG 4.17Å; I78-I132 HydrophobicContact CD1-CD1 4.48Å; I78-I132 HydrophobicContact CD1-CG1 3.84Å
79V98.9Very high97.9Very high0 Ų045.7 Ų45.70%023%0.226CC..EExtended strand (participates in β ladder)trans-114113.4178.3-1770000110.6A50 Y54 L65 L77 V81 V105 V111 E113 V114 Y115A50-V79 CarbonylContact O-C 3.53Å; A50-V79 VanDerWaalsContact O-CA 3.25Å; A50-V79 WeakPolarHBondContact O-CA 3.28Å; Y54-V79 HydrophobicContact CD2-CG1 4.22Å; Y54-V79 HydrophobicContact CE2-CG1 3.38Å; L65-V79 HydrophobicContact CD1-CG1 4.5Å; L65-V79 HydrophobicContact CD1-CG2 4.25Å; L65-V79 HydrophobicContact CD2-CG1 4.05Å; L65-V79 HydrophobicContact CD2-CG2 3.57Å; L65-V79 HydrophobicContact CG-CG2 4.48Å; L77-V79 HydrophobicContact CD1-CG2 4.44Å; L77-V79 HydrophobicContact CD2-CG2 4.01Å; L77-V79 HydrophobicContact CG-CG2 3.88Å; V79-V81 HydrophobicContact CG1-CG2 4.49Å; V79-V105 HydrophobicContact CB-CG1 3.95Å; V79-V105 HydrophobicContact CG1-CG1 3.57Å; V79-V111 HydrophobicContact CB-CG1 4.07Å; V79-V111 HydrophobicContact CB-CG2 4.43Å; V79-V111 HydrophobicContact CG2-CB 4.29Å; V79-V111 HydrophobicContact CG2-CG1 3.81Å; V79-V111 HydrophobicContact CG2-CG2 3.66Å; V79-E113 PolarHBondContact N-O 3.41Å; V79-V114 CarbonylContact O-C 3.47Å; V79-V114 WeakPolarHBondContact O-CA 3.5Å; V79-Y115 PolarHBondContact O-N 3.04Å
80G98.8Very high97.6Very high0 Ų047.3 Ų47.30%023%0.234CC..EExtended strand (participates in β ladder)trans-83.2121.4173.500000111.8A50 D51 G52 Y54 Y115A50-G80 PolarHBondContact O-N 3.48Å; D51-G80 VanDerWaalsContact CA-O 3.29Å; D51-G80 WeakPolarHBondContact CA-O 3.31Å; G52-G80 PolarHBondContact N-O 2.94Å; Y54-G80 WeakPolarHBondContact CE2-O 3.29Å; G80-Y115 WeakPolarHBondContact CA-O 3.36Å
81V98.8Very high97.3Very high0 Ų049.7 Ų49.70%024%0.237CC..EExtended strand (participates in β ladder)trans-106.2117.7175.7-1740000109.1G52 Y54 V79 R101 F102 V105 V114 Y115 D117 A118G52-V81 WeakPolarHBondContact O-CA 3.33Å; Y54-V81 HydrophobicContact CD2-CB 4.44Å; Y54-V81 HydrophobicContact CD2-CG1 4.37Å; Y54-V81 HydrophobicContact CD2-CG2 3.92Å; Y54-V81 HydrophobicContact CE2-CG2 4.42Å; V79-V81 HydrophobicContact CG1-CG2 4.49Å; V81-R101 HydrophobicContact CG1-CB 4.03Å; V81-R101 VanDerWaalsContact CG1-NH1 3.31Å; V81-F102 HydrophobicContact CB-CD1 3.55Å; V81-F102 HydrophobicContact CB-CE1 3.67Å; V81-F102 HydrophobicContact CG1-CD1 3.56Å; V81-F102 HydrophobicContact CG1-CE1 3.65Å; V81-F102 HydrophobicContact CG2-CD1 4.19Å; V81-V105 HydrophobicContact CG2-CB 4.02Å; V81-V105 HydrophobicContact CG2-CG1 4.06Å; V81-V105 HydrophobicContact CG2-CG2 3.84Å; V81-V114 HydrophobicContact CG2-CG1 4.03Å; V81-Y115 PolarHBondContact N-O 2.92Å; V81-D117 WeakPolarHBondContact O-CA 3.48Å; V81-D117 PolarHBondContact O-N 3.44Å; V81-D117 VanDerWaalsContact O-N 3.12Å; V81-A118 PolarHBondContact O-N 3.38Å
82C98.2Very high97Very high5 Ų549.6 Ų49.63%0.03424%0.239CC..  trans-64138.2-179.7-62.20000111.1G52 T87 R101 W120G52-C82 PolarHBondContact O-N 3.37Å; C82-T87 WeakPolarHBondContact CB-OG1 3.49Å; C82-R101 VanDerWaalsContact O-CZ 3.32Å; C82-R101 PolarHBondContact O-NH1 2.86Å; C82-R101 PolarHBondContact O-NH2 2.81Å; C82-W120 HydrophobicContact CB-CE3 4.2Å; C82-W120 HydrophobicContact CB-CZ3 4.15Å
83G98Very high96.8Very high0 Ų058.4 Ų58.40%028%0.277CS..  trans-69.3165.917500000113.4R85 S86 T87 E98 D117G83-R85 PolarHBondContact O-N 2.74Å; G83-S86 PolarHBondContact O-OG 2.85Å; G83-T87 WeakPolarHBondContact O-CB 3.41Å; G83-T87 PolarHBondContact O-N 3.27Å; G83-T87 PolarHBondContact O-OG1 3.29Å; G83-E98 VanDerWaalsContact CA-OE2 3.31Å; G83-E98 WeakPolarHBondContact CA-OE2 3.4Å; G83-D117 VanDerWaalsContact CA-OD1 3.23Å; G83-D117 WeakPolarHBondContact CA-OD1 3.47Å; G83-D117 PolarHBondContact N-OD1 3.27Å
84D98.3Very high96.8Very high30 Ų3054.5 Ų54.516%0.1625%0.252CS..Hα-helixtrans-64.7-41.3-178.3-79.6-18.9000111.3S86 T87 H88 E98 R101D84-S86 PolarHBondContact O-N 2.95Å; D84-T87 PolarHBondContact O-N 3.14Å; D84-H88 VanDerWaalsContact O-CB 3.31Å; D84-H88 WeakPolarHBondContact O-CB 3.35Å; D84-H88 PolarHBondContact O-CD2 3.35Å; D84-H88 PolarHBondContact O-N 3.32Å; D84-H88 IonicContact OD1-NE2 3.64Å; D84-E98 HydrophobicContact CB-CB 4.41Å; D84-E98 PolarHBondContact N-OE2 3.35Å; D84-E98 PolarHBondContact OD1-N 2.89Å; D84-E98 PolarHBondContact OD2-N 2.94Å; D84-R101 IonicContact OD1-CZ 2.73Å; D84-R101 IonicContact OD1-NE 3.59Å; D84-R101 IonicContact OD1-NH2 3.55Å; D84-R101 PolarHBondContact OD1-NH2 2.56Å
85R97.7Very high96.8Very high226 Ų22655.4 Ų55.485%0.85326%0.255SS*.Hα-helixtrans-58.4-50.5-179-177.9-179.1175.8-172.9-1.2112.3G83 Y89G83-R85 PolarHBondContact O-N 2.74Å; R85-Y89 WeakPolarHBondContact O-CB 3.5Å; R85-Y89 PolarHBondContact O-N 3.36Å
86S96.1Very high96.8Very high24 Ų2456 Ų5617%0.16826%0.26CS..Hα-helixtrans-70-41.1-179.857.90000111.1G83 D84 Y89 H90G83-S86 PolarHBondContact O-OG 2.85Å; D84-S86 PolarHBondContact O-N 2.95Å; S86-Y89 PolarHBondContact O-N 2.9Å; S86-H90 WeakPolarHBondContact O-CB 3.43Å; S86-H90 PolarHBondContact O-CD2 3.42Å; S86-H90 VanDerWaalsContact O-CD2 3.27Å; S86-H90 PolarHBondContact O-N 3.06Å
87T96.9Very high96.8Very high2 Ų257.3 Ų57.31%0.01227%0.27CS..Hα-helixtrans-60.6-48.7177.9-610000112.4I53 C82 G83 D84 Y89 H90 K91 G92 T94I53-T87 HydrophobicContact CB-CG2 4.4Å; I53-T87 HydrophobicContact CD1-CG2 3.67Å; I53-T87 HydrophobicContact CG1-CG2 3.79Å; I53-T87 HydrophobicContact CG2-CG2 3.68Å; C82-T87 WeakPolarHBondContact CB-OG1 3.49Å; G83-T87 WeakPolarHBondContact O-CB 3.41Å; G83-T87 PolarHBondContact O-N 3.27Å; G83-T87 PolarHBondContact O-OG1 3.29Å; D84-T87 PolarHBondContact O-N 3.14Å; T87-Y89 VanDerWaalsContact C-N 3.32Å; T87-Y89 PolarHBondContact O-N 3.32Å; T87-H90 PolarHBondContact O-N 2.94Å; T87-K91 WeakPolarHBondContact O-CA 3.29Å; T87-K91 WeakPolarHBondContact O-CB 3.44Å; T87-K91 PolarHBondContact O-N 3.12Å; T87-G92 PolarHBondContact O-N 3.08Å; T87-T94 HydrophobicContact CG2-CG2 3.64Å
88H97Very high96.7Very high86 Ų8660.4 Ų60.440%0.39828%0.284SS..Hα-helixtrans-68.6-33.4-178.6-62.9173.3000111.8D84 G92 T94D84-H88 VanDerWaalsContact O-CB 3.31Å; D84-H88 WeakPolarHBondContact O-CB 3.35Å; D84-H88 PolarHBondContact O-CD2 3.35Å; D84-H88 PolarHBondContact O-N 3.32Å; D84-H88 IonicContact OD1-NE2 3.64Å; H88-G92 WeakPolarHBondContact CA-O 3.25Å; H88-G92 PolarHBondContact CD2-O 3.16Å; H88-G92 VanDerWaalsContact CD2-O 3.31Å; H88-T94 PolarHBondContact NE2-OG1 3.49Å
89Y95.2Very high96.7Very high190 Ų19064.4 Ų64.475%0.74531%0.309SS*.Hα-helixtrans-70.3-43.5176.3-178.1-101.2000112.9R85 S86 T87R85-Y89 WeakPolarHBondContact O-CB 3.5Å; R85-Y89 PolarHBondContact O-N 3.36Å; S86-Y89 PolarHBondContact O-N 2.9Å; T87-Y89 VanDerWaalsContact C-N 3.32Å; T87-Y89 PolarHBondContact O-N 3.32Å
90H92Very high96.7Very high83 Ų8369.2 Ų69.238%0.38433%0.331SS..Hα-helixtrans-96.5-23.7-171.5-70.9-64.7000115.4S86 T87 W120S86-H90 WeakPolarHBondContact O-CB 3.43Å; S86-H90 PolarHBondContact O-CD2 3.42Å; S86-H90 VanDerWaalsContact O-CD2 3.27Å; S86-H90 PolarHBondContact O-N 3.06Å; T87-H90 PolarHBondContact O-N 2.94Å; H90-W120 HydrophobicContact CB-CD2 3.78Å; H90-W120 HydrophobicContact CB-CE3 4.32Å; H90-W120 HydrophobicContact CB-CG 4.36Å; H90-W120 HydrophobicContact CB-CH2 3.87Å; H90-W120 HydrophobicContact CB-CZ2 3.23Å; H90-W120 HydrophobicContact CB-CZ3 4.37Å; H90-W120 AromaticContact CD2-CD1 3.42Å; H90-W120 VanDerWaalsContact CD2-CD1 3.42Å; H90-W120 AromaticContact CD2-CD2 3.46Å; H90-W120 VanDerWaalsContact CD2-CD2 3.46Å; H90-W120 AromaticContact CD2-CE2 3.73Å; H90-W120 AromaticContact CD2-CG 3.29Å; H90-W120 AromaticContact CD2-NE1 3.65Å; H90-W120 AromaticContact CG-CD1 3.66Å; H90-W120 AromaticContact CG-CD2 3.82Å; H90-W120 AromaticContact CG-CE2 3.56Å; H90-W120 AromaticContact CG-CG 3.91Å; H90-W120 AromaticContact CG-NE1 3.43Å; H90-W120 AromaticContact ND1-NE1 3.94Å; H90-W120 AromaticContact NE2-CD1 3.73Å; H90-W120 AromaticContact NE2-CG 3.8Å
91K91.7Very high96.7Very high137 Ų13769.2 Ų69.260%0.59633%0.331SS*.THydrogen-bonded Turntrans-130.5-42-171.3-169.9119.5178.1-179.50113.4I53 T87 W120I53-K91 HydrophobicContact CD1-CB 4.13Å; I53-K91 HydrophobicContact CD1-CD 3.81Å; I53-K91 HydrophobicContact CD1-CG 3.86Å; T87-K91 WeakPolarHBondContact O-CA 3.29Å; T87-K91 WeakPolarHBondContact O-CB 3.44Å; T87-K91 PolarHBondContact O-N 3.12Å; K91-W120 HydrophobicContact CB-CH2 3.68Å; K91-W120 HydrophobicContact CB-CZ2 4.13Å; K91-W120 HydrophobicContact CD-CH2 4.28Å
92G92.2Very high96.7Very high29 Ų2970 Ų7030%0.29933%0.334SS..  trans132.4-171.8178.400000113.2T87 H88T87-G92 PolarHBondContact O-N 3.08Å; H88-G92 WeakPolarHBondContact CA-O 3.25Å; H88-G92 PolarHBondContact CD2-O 3.16Å; H88-G92 VanDerWaalsContact CD2-O 3.31Å
93K94.4Very high96.7Very high194 Ų19472.6 Ų72.684%0.84335%0.346SS*.  trans-69.6136.9-171.4-173174.9-178.9-179.20112.3
94T97.3Very high96.7Very high15 Ų1574.4 Ų74.49%0.09236%0.361CS..  trans-92.9158.5170.150.60000111.7I53 D55 T87 H88 S96I53-T94 HydrophobicContact CG2-CG2 3.79Å; D55-T94 HydrophobicContact CB-CG2 4.14Å; D55-T94 WeakPolarHBondContact OD2-CA 3.35Å; T87-T94 HydrophobicContact CG2-CG2 3.64Å; H88-T94 PolarHBondContact NE2-OG1 3.49Å; T94-S96 WeakPolarHBondContact CB-O 3.39Å; T94-S96 PolarHBondContact OG1-O 2.97Å; T94-S96 VanDerWaalsContact OG1-O 3.08Å
95V96.9Very high96.7Very high89 Ų8973 Ų7354%0.53935%0.354SS..SBendtrans-86.8-44.9170.9-179.90000110.7D55 L56 I176D55-V95 PolarHBondContact OD1-N 2.69Å; D55-V95 PolarHBondContact OD2-N 2.93Å; L56-V95 HydrophobicContact CD1-CB 4.15Å; L56-V95 HydrophobicContact CD1-CG1 4.43Å; L56-V95 HydrophobicContact CD1-CG2 4.05Å; L56-V95 HydrophobicContact CD2-CB 3.88Å; L56-V95 HydrophobicContact CD2-CG1 3.79Å; L56-V95 HydrophobicContact CG-CB 3.97Å; L56-V95 HydrophobicContact CG-CG1 4.37Å; L56-V95 HydrophobicContact CG-CG2 4.37Å; V95-I176 HydrophobicContact CG2-CD1 3.94Å; V95-I176 HydrophobicContact CG2-CG1 4.14Å
96S97.7Very high96.8Very high23 Ų2365 Ų6516%0.16132%0.323CS..SBendtrans-91.1141.7173.7-70.70000111.5D55 T94 E100 R101D55-S96 WeakPolarHBondContact OD1-CB 3.43Å; D55-S96 PolarHBondContact OD1-N 3.37Å; T94-S96 WeakPolarHBondContact CB-O 3.39Å; T94-S96 PolarHBondContact OG1-O 2.97Å; T94-S96 VanDerWaalsContact OG1-O 3.08Å; S96-E100 WeakPolarHBondContact CA-OE2 3.28Å; S96-E100 VanDerWaalsContact CB-OE2 3.3Å; S96-E100 WeakPolarHBondContact CB-OE2 3.29Å; S96-E100 PolarHBondContact OG-OE2 2.93Å; S96-R101 PolarHBondContact O-NE 2.88Å
97D98.1Very high96.8Very high71 Ų7169.6 Ų69.638%0.3834%0.342SS..  trans-70.3165.7172.572.551.3000111.4T99 E100 R101D97-T99 VanDerWaalsContact C-N 3.26Å; D97-T99 PolarHBondContact O-N 3.44Å; D97-T99 WeakPolarHBondContact OD1-CA 3.25Å; D97-T99 VanDerWaalsContact OD1-CB 3.31Å; D97-T99 WeakPolarHBondContact OD1-CB 3.14Å; D97-T99 PolarHBondContact OD1-N 2.8Å; D97-E100 PolarHBondContact N-OE2 3.25Å; D97-E100 PolarHBondContact O-N 3.49Å; D97-E100 PolarHBondContact OD1-N 3.03Å; D97-R101 WeakPolarHBondContact O-CG 3.44Å; D97-R101 PolarHBondContact O-N 3.11Å
98E98.5Very high96.9Very high65 Ų6570.2 Ų70.230%0.30435%0.346SS..Hα-helixtrans-59.3-34.3-17865.5-173.6-161.900114.1G83 D84 R101 F102G83-E98 VanDerWaalsContact CA-OE2 3.31Å; G83-E98 WeakPolarHBondContact CA-OE2 3.4Å; D84-E98 HydrophobicContact CB-CB 4.41Å; D84-E98 PolarHBondContact N-OE2 3.35Å; D84-E98 PolarHBondContact OD1-N 2.89Å; D84-E98 PolarHBondContact OD2-N 2.94Å; E98-R101 VanDerWaalsContact CA-NH2 3.32Å; E98-R101 VanDerWaalsContact CB-NH2 3.28Å; E98-R101 PolarHBondContact O-N 2.87Å; E98-F102 HydrophobicContact CB-CE1 4.32Å; E98-F102 HydrophobicContact CB-CE2 4.03Å; E98-F102 HydrophobicContact CB-CZ 3.77Å; E98-F102 HydrophobicContact CG-CE2 4.03Å; E98-F102 HydrophobicContact CG-CZ 4.16Å; E98-F102 VanDerWaalsContact O-CD1 3.24Å; E98-F102 WeakPolarHBondContact O-CD1 3.45Å; E98-F102 WeakPolarHBondContact O-CD2 3.38Å; E98-F102 WeakPolarHBondContact O-CG 3.38Å; E98-F102 PolarHBondContact O-N 2.62Å
99T98.5Very high96.9Very high84 Ų8475.5 Ų75.552%0.51536%0.363SS..Hα-helixtrans-69.3-44.7179-60.20000110.6D97 R101 F102 E103D97-T99 VanDerWaalsContact C-N 3.26Å; D97-T99 PolarHBondContact O-N 3.44Å; D97-T99 WeakPolarHBondContact OD1-CA 3.25Å; D97-T99 VanDerWaalsContact OD1-CB 3.31Å; D97-T99 WeakPolarHBondContact OD1-CB 3.14Å; D97-T99 PolarHBondContact OD1-N 2.8Å; T99-R101 VanDerWaalsContact C-N 3.25Å; T99-R101 PolarHBondContact O-N 3.33Å; T99-F102 PolarHBondContact O-N 3.03Å; T99-E103 WeakPolarHBondContact O-CB 3.35Å; T99-E103 WeakPolarHBondContact O-CG 3.32Å; T99-E103 PolarHBondContact O-N 2.87Å
100E98.6Very high97.1Very high100 Ų10068.2 Ų68.247%0.46733%0.334SS..Hα-helixtrans-58-39.8173.2-69.2-177.213100111.5S96 D97 E103 A104S96-E100 WeakPolarHBondContact CA-OE2 3.28Å; S96-E100 VanDerWaalsContact CB-OE2 3.3Å; S96-E100 WeakPolarHBondContact CB-OE2 3.29Å; S96-E100 PolarHBondContact OG-OE2 2.93Å; D97-E100 PolarHBondContact N-OE2 3.25Å; D97-E100 PolarHBondContact O-N 3.49Å; D97-E100 PolarHBondContact OD1-N 3.03Å; E100-E103 PolarHBondContact O-N 3.23Å; E100-A104 VanDerWaalsContact O-CB 3.27Å; E100-A104 WeakPolarHBondContact O-CB 3.37Å; E100-A104 PolarHBondContact O-N 3.31Å
101R98.7Very high97.4Very high1 Ų164.8 Ų64.80%0.00432%0.319CS..Hα-helixtrans-69.8-40.8178-67.2-179.7-60.499-4.9112I53 V81 C82 D84 S96 D97 E98 T99 A104 V105I53-R101 WeakPolarHBondContact O-CD 3.42Å; I53-R101 PolarHBondContact O-NH1 3.46Å; V81-R101 HydrophobicContact CG1-CB 4.03Å; V81-R101 VanDerWaalsContact CG1-NH1 3.31Å; C82-R101 VanDerWaalsContact O-CZ 3.32Å; C82-R101 PolarHBondContact O-NH1 2.86Å; C82-R101 PolarHBondContact O-NH2 2.81Å; D84-R101 IonicContact OD1-CZ 2.73Å; D84-R101 IonicContact OD1-NE 3.59Å; D84-R101 IonicContact OD1-NH2 3.55Å; D84-R101 PolarHBondContact OD1-NH2 2.56Å; S96-R101 PolarHBondContact O-NE 2.88Å; D97-R101 WeakPolarHBondContact O-CG 3.44Å; D97-R101 PolarHBondContact O-N 3.11Å; E98-R101 VanDerWaalsContact CA-NH2 3.32Å; E98-R101 VanDerWaalsContact CB-NH2 3.28Å; E98-R101 PolarHBondContact O-N 2.87Å; T99-R101 VanDerWaalsContact C-N 3.25Å; T99-R101 PolarHBondContact O-N 3.33Å; R101-A104 PolarHBondContact O-N 3.45Å; R101-V105 VanDerWaalsContact O-CG2 3.3Å; R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 3.02Å; R101-V105 VanDerWaalsContact O-N 3.07Å
102F98.7Very high97.7Very high15 Ų1560.5 Ų60.57%0.06630%0.303CS..Hα-helixtrans-59.5-46.7173.3-57.4-27000111.3F13 V81 E98 T99 V105 R106 R116F13-F102 HydrophobicContact CE1-CB 4.06Å; F13-F102 HydrophobicContact CZ-CB 4.47Å; V81-F102 HydrophobicContact CB-CD1 3.55Å; V81-F102 HydrophobicContact CB-CE1 3.67Å; V81-F102 HydrophobicContact CG1-CD1 3.56Å; V81-F102 HydrophobicContact CG1-CE1 3.65Å; V81-F102 HydrophobicContact CG2-CD1 4.19Å; E98-F102 HydrophobicContact CB-CE1 4.32Å; E98-F102 HydrophobicContact CB-CE2 4.03Å; E98-F102 HydrophobicContact CB-CZ 3.77Å; E98-F102 HydrophobicContact CG-CE2 4.03Å; E98-F102 HydrophobicContact CG-CZ 4.16Å; E98-F102 VanDerWaalsContact O-CD1 3.24Å; E98-F102 WeakPolarHBondContact O-CD1 3.45Å; E98-F102 WeakPolarHBondContact O-CD2 3.38Å; E98-F102 WeakPolarHBondContact O-CG 3.38Å; E98-F102 PolarHBondContact O-N 2.62Å; T99-F102 PolarHBondContact O-N 3.03Å; F102-V105 PolarHBondContact O-N 3.38Å; F102-R106 PolarHBondContact O-N 3.33Å; F102-R116 HydrophobicContact CB-CG 4.4Å; F102-R116 HydrophobicContact CD1-CB 4.41Å; F102-R116 HydrophobicContact CD1-CG 4.09Å; F102-R116 HydrophobicContact CD2-CB 4.23Å; F102-R116 HydrophobicContact CD2-CG 3.76Å; F102-R116 HydrophobicContact CE1-CB 4.15Å; F102-R116 HydrophobicContact CE1-CG 4.33Å; F102-R116 HydrophobicContact CE2-CB 3.95Å; F102-R116 HydrophobicContact CE2-CG 4.02Å; F102-R116 HydrophobicContact CG-CB 4.47Å; F102-R116 HydrophobicContact CG-CG 3.82Å; F102-R116 HydrophobicContact CZ-CB 3.91Å; F102-R116 HydrophobicContact CZ-CG 4.3Å
103E98.4Very high98Very high61 Ų6159.1 Ų59.129%0.28529%0.288SS..Hα-helixtrans-63.1-46.1177.6-74-63.614900111.7T99 E100 V105 R106 H107T99-E103 WeakPolarHBondContact O-CB 3.35Å; T99-E103 WeakPolarHBondContact O-CG 3.32Å; T99-E103 PolarHBondContact O-N 2.87Å; E100-E103 PolarHBondContact O-N 3.23Å; E103-V105 VanDerWaalsContact C-N 3.31Å; E103-V105 PolarHBondContact O-N 3.43Å; E103-R106 VanDerWaalsContact CD-NE 3.31Å; E103-R106 WeakPolarHBondContact O-CG 3.3Å; E103-R106 PolarHBondContact O-N 3.47Å; E103-R106 IonicContact OE1-CZ 3.69Å; E103-R106 IonicContact OE1-NE 2.7Å; E103-R106 PolarHBondContact OE1-NE 3.07Å; E103-R106 IonicContact OE1-NH1 3.63Å; E103-R106 PolarHBondContact OE1-NH1 2.72Å; E103-R106 IonicContact OE1-NH2 2.8Å; E103-R106 PolarHBondContact OE1-NH2 3.25Å; E103-R106 IonicContact OE2-CZ 3.27Å; E103-R106 IonicContact OE2-NE 3.57Å; E103-R106 PolarHBondContact OE2-NE 3.35Å; E103-R106 IonicContact OE2-NH2 2.62Å; E103-R106 PolarHBondContact OE2-NH2 3.5Å; E103-H107 PolarHBondContact O-CD2 3.03Å; E103-H107 PolarHBondContact O-N 3.46Å; E103-H107 IonicContact OE2-CD2 3.29Å; E103-H107 IonicContact OE2-NE2 3.89Å
104A98.3Very high98.2Very high38 Ų3849.9 Ų49.931%0.31425%0.248SC..Hα-helixtrans-60-41.4179.600000112.4F57 E100 R101F57-A104 HydrophobicContact CB-CB 3.7Å; F57-A104 HydrophobicContact CG-CB 4.28Å; E100-A104 VanDerWaalsContact O-CB 3.27Å; E100-A104 WeakPolarHBondContact O-CB 3.37Å; E100-A104 PolarHBondContact O-N 3.31Å; R101-A104 PolarHBondContact O-N 3.45Å
105V98.8Very high98.3Very high0 Ų052 Ų520%026%0.255CS..Hα-helixtrans-71.9-43.9-179.7173.90000111.8Y54 F57 V79 V81 R101 F102 E103 H107 C108 V111 V114Y54-V105 HydrophobicContact CD1-CG2 4.4Å; Y54-V105 HydrophobicContact CD2-CG2 3.93Å; Y54-V105 HydrophobicContact CG-CG2 3.71Å; F57-V105 HydrophobicContact CD2-CG2 3.73Å; F57-V105 HydrophobicContact CE2-CG2 3.82Å; V79-V105 HydrophobicContact CB-CG1 3.95Å; V79-V105 HydrophobicContact CG1-CG1 3.57Å; V81-V105 HydrophobicContact CG2-CB 4.02Å; V81-V105 HydrophobicContact CG2-CG1 4.06Å; V81-V105 HydrophobicContact CG2-CG2 3.84Å; R101-V105 VanDerWaalsContact O-CG2 3.3Å; R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 3.02Å; R101-V105 VanDerWaalsContact O-N 3.07Å; F102-V105 PolarHBondContact O-N 3.38Å; E103-V105 VanDerWaalsContact C-N 3.31Å; E103-V105 PolarHBondContact O-N 3.43Å; V105-H107 PolarHBondContact O-N 2.96Å; V105-H107 VanDerWaalsContact O-N 3.15Å; V105-C108 WeakPolarHBondContact O-CB 3.39Å; V105-C108 PolarHBondContact O-N 3.21Å; V105-V111 HydrophobicContact CG1-CG2 4.26Å; V105-V114 HydrophobicContact CG1-CG2 3.93Å
106R98.1Very high98.4Very high57 Ų5751.9 Ų51.922%0.21525%0.245CC..Hα-helixtrans-66.7-18.2-17676.3172.7-164.6176.8-3.6114.2P10 A11 F102 E103 C108 V114P10-R106 HydrophobicContact CB-CG 4.04Å; A11-R106 HydrophobicContact CB-CB 4.15Å; A11-R106 PolarHBondContact N-O 2.88Å; F102-R106 PolarHBondContact O-N 3.33Å; E103-R106 VanDerWaalsContact CD-NE 3.31Å; E103-R106 WeakPolarHBondContact O-CG 3.3Å; E103-R106 PolarHBondContact O-N 3.47Å; E103-R106 IonicContact OE1-CZ 3.69Å; E103-R106 IonicContact OE1-NE 2.7Å; E103-R106 PolarHBondContact OE1-NE 3.07Å; E103-R106 IonicContact OE1-NH1 3.63Å; E103-R106 PolarHBondContact OE1-NH1 2.72Å; E103-R106 IonicContact OE1-NH2 2.8Å; E103-R106 PolarHBondContact OE1-NH2 3.25Å; E103-R106 IonicContact OE2-CZ 3.27Å; E103-R106 IonicContact OE2-NE 3.57Å; E103-R106 PolarHBondContact OE2-NE 3.35Å; E103-R106 IonicContact OE2-NH2 2.62Å; E103-R106 PolarHBondContact OE2-NH2 3.5Å; R106-C108 VanDerWaalsContact C-N 3.32Å; R106-V114 HydrophobicContact CB-CB 4.48Å; R106-V114 HydrophobicContact CB-CG2 3.7Å
107H97.8Very high98.4Very high121 Ų12155.3 Ų55.356%0.5626%0.261SS*.THydrogen-bonded Turntrans-86.4-1.1173.1-74.2-66.6000113.5E103 V105 R109E103-H107 PolarHBondContact O-CD2 3.03Å; E103-H107 PolarHBondContact O-N 3.46Å; E103-H107 IonicContact OE2-CD2 3.29Å; E103-H107 IonicContact OE2-NE2 3.89Å; V105-H107 PolarHBondContact O-N 2.96Å; V105-H107 VanDerWaalsContact O-N 3.15Å; H107-R109 PolarHBondContact O-N 2.83Å
108C98.2Very high98.4Very high15 Ų1552 Ų5210%0.10124%0.244CC..SBendtrans-76.4122.2175-172.30000110.8F57 V105 R106 Y110 V111F57-C108 HydrophobicContact CE1-CB 4.25Å; F57-C108 HydrophobicContact CZ-CB 3.88Å; V105-C108 WeakPolarHBondContact O-CB 3.39Å; V105-C108 PolarHBondContact O-N 3.21Å; R106-C108 VanDerWaalsContact C-N 3.32Å; C108-Y110 PolarHBondContact O-N 3.19Å; C108-V111 HydrophobicContact CB-CG2 3.82Å; C108-V111 PolarHBondContact O-N 2.98Å
109R96.9Very high98.3Very high198 Ų19850.9 Ų50.975%0.74724%0.242SC*.THydrogen-bonded Turntrans-56.8-13.2-174.878.6180-169.4108-4.3116.8H107H107-R109 PolarHBondContact O-N 2.83Å
110Y98.3Very high98.1Very high36 Ų3648.5 Ų48.514%0.14122%0.224CC..THydrogen-bonded Turntrans-94.2-14.2-178-55-66.3000112.7A62 M66 K69 L77 C108A62-Y110 VanDerWaalsContact O-CD2 3.31Å; A62-Y110 WeakPolarHBondContact O-CD2 3.45Å; A62-Y110 VanDerWaalsContact O-CE2 3.28Å; A62-Y110 WeakPolarHBondContact O-CE2 3.44Å; M66-Y110 HydrophobicContact CB-CD1 4.06Å; M66-Y110 HydrophobicContact CB-CD2 3.91Å; M66-Y110 HydrophobicContact CB-CE1 3.77Å; M66-Y110 HydrophobicContact CB-CE2 3.64Å; M66-Y110 HydrophobicContact CB-CG 4.12Å; M66-Y110 HydrophobicContact CG-CD1 4.16Å; M66-Y110 HydrophobicContact CG-CE1 3.57Å; M66-Y110 HydrophobicContact CG-CE2 4.25Å; M66-Y110 HydrophobicContact SD-CE1 4.17Å; M66-Y110 PolarHBondContact SD-OH 3.43Å; M66-Y110 VanDerWaalsContact SD-OH 3.33Å; K69-Y110 HydrophobicContact CB-CD1 4.48Å; K69-Y110 WeakPolarHBondContact CD-O 3.42Å; K69-Y110 HydrophobicContact CG-CD1 4.43Å; K69-Y110 WeakPolarHBondContact CG-O 3.4Å; L77-Y110 WeakPolarHBondContact CD2-O 3.5Å; C108-Y110 PolarHBondContact O-N 3.19Å
111V98.7Very high97.9Very high12 Ų1247.1 Ų47.17%0.07322%0.216CC..  trans-91130.6-173.2-178.30000109.2A11 L65 V79 V105 C108 E113 V114A11-V111 HydrophobicContact CB-CB 4.32Å; A11-V111 HydrophobicContact CB-CG1 3.89Å; L65-V111 HydrophobicContact CD1-CG2 3.7Å; V79-V111 HydrophobicContact CB-CG1 4.07Å; V79-V111 HydrophobicContact CB-CG2 4.43Å; V79-V111 HydrophobicContact CG2-CB 4.29Å; V79-V111 HydrophobicContact CG2-CG1 3.81Å; V79-V111 HydrophobicContact CG2-CG2 3.66Å; V105-V111 HydrophobicContact CG1-CG2 4.26Å; C108-V111 HydrophobicContact CB-CG2 3.82Å; C108-V111 PolarHBondContact O-N 2.98Å; V111-E113 WeakPolarHBondContact CG1-O 3.33Å; V111-V114 HydrophobicContact CG1-CG2 3.65Å
112D98.6Very high97.8Very high46 Ų4648 Ų4825%0.24622%0.221CC..SBendtrans-102.4-27.2175.6-52.1-80.7000112.2P12 K69 Y76 L77P12-D112 VanDerWaalsContact CD-O 3.3Å; P12-D112 WeakPolarHBondContact CD-O 3.45Å; K69-D112 IonicContact NZ-OD1 3.61Å; K69-D112 PolarHBondContact NZ-OD1 3.08Å; K69-D112 IonicContact NZ-OD2 3.3Å; K69-D112 PolarHBondContact NZ-OD2 3.4Å; Y76-D112 WeakPolarHBondContact CA-OD2 3.45Å; Y76-D112 HydrophobicContact CD1-CB 4.23Å; Y76-D112 HydrophobicContact CD2-CB 3.9Å; Y76-D112 HydrophobicContact CE1-CB 4.08Å; Y76-D112 HydrophobicContact CE2-CB 3.77Å; Y76-D112 HydrophobicContact CG-CB 4.14Å; L77-D112 PolarHBondContact N-OD2 2.82Å; L77-D112 PolarHBondContact O-N 2.89Å
113E98.6Very high97.6Very high0 Ų050.5 Ų50.50%024%0.238CC..EExtended strand (participates in β ladder)trans-147.1137.3-177.4-175.6-175.5151.800109.3S14 V19 R23 R47 Y76 L77 I78 V79 V111 M130S14-E113 WeakPolarHBondContact CA-OE1 3.5Å; S14-E113 WeakPolarHBondContact CB-OE1 3.13Å; S14-E113 WeakPolarHBondContact OG-CG 3.36Å; S14-E113 PolarHBondContact OG-OE1 3.26Å; V19-E113 HydrophobicContact CG1-CG 3.9Å; R23-E113 IonicContact NH1-OE1 3.99Å; R47-E113 IonicContact CZ-OE2 2.82Å; R47-E113 IonicContact NH1-OE2 3.72Å; R47-E113 IonicContact NH2-OE2 3.57Å; R47-E113 PolarHBondContact NH2-OE2 3.11Å; Y76-E113 HydrophobicContact CE1-CB 3.63Å; Y76-E113 HydrophobicContact CE1-CG 4.46Å; Y76-E113 VanDerWaalsContact CE1-OE2 3.25Å; Y76-E113 WeakPolarHBondContact CE1-OE2 3.34Å; L77-E113 PolarHBondContact O-N 3.01Å; L77-E113 VanDerWaalsContact O-N 3.16Å; I78-E113 CarbonylContact C-O 3.48Å; I78-E113 WeakPolarHBondContact CA-O 3.37Å; I78-E113 HydrophobicContact CB-CB 4.41Å; I78-E113 HydrophobicContact CG1-CB 4.16Å; I78-E113 HydrophobicContact CG2-CB 4.28Å; I78-E113 HydrophobicContact CG2-CG 4.17Å; V79-E113 PolarHBondContact N-O 3.41Å; V111-E113 WeakPolarHBondContact CG1-O 3.33Å; E113-M130 WeakPolarHBondContact OE1-CE 3.26Å
114V98.9Very high97.5Very high0 Ų050.2 Ų50.20%024%0.237CC..EExtended strand (participates in β ladder)trans-111.8120.8172.9173.60000111A11 P12 F13 S14 V79 V81 V105 R106 V111A11-V114 HydrophobicContact CB-CG2 4.4Å; P12-V114 PolarHBondContact O-N 3.01Å; F13-V114 CarbonylContact C-O 3.48Å; F13-V114 VanDerWaalsContact CA-O 3.3Å; F13-V114 WeakPolarHBondContact CA-O 3.46Å; F13-V114 HydrophobicContact CD1-CB 3.93Å; F13-V114 HydrophobicContact CD1-CG1 4Å; F13-V114 HydrophobicContact CE1-CB 4.31Å; F13-V114 HydrophobicContact CE1-CG1 4.14Å; S14-V114 PolarHBondContact N-O 3.47Å; S14-V114 PolarHBondContact OG-O 2.64Å; V79-V114 CarbonylContact O-C 3.47Å; V79-V114 WeakPolarHBondContact O-CA 3.5Å; V81-V114 HydrophobicContact CG2-CG1 4.03Å; V105-V114 HydrophobicContact CG1-CG2 3.93Å; R106-V114 HydrophobicContact CB-CB 4.48Å; R106-V114 HydrophobicContact CB-CG2 3.7Å; V111-V114 HydrophobicContact CG1-CG2 3.65Å
115Y98.8Very high97.5Very high60 Ų6054.3 Ų54.324%0.23525%0.254CS..EExtended strand (participates in β ladder)trans-90.8113.2171-168.5-76.8000109.5S14 V79 G80 V81 A118 F126 M130S14-Y115 VanDerWaalsContact OG-CA 3.28Å; S14-Y115 WeakPolarHBondContact OG-CA 3.43Å; S14-Y115 WeakPolarHBondContact OG-CB 3.25Å; S14-Y115 PolarHBondContact OG-N 3.41Å; V79-Y115 PolarHBondContact O-N 3.04Å; G80-Y115 WeakPolarHBondContact CA-O 3.36Å; V81-Y115 PolarHBondContact N-O 2.92Å; Y115-A118 HydrophobicContact CD1-CB 3.91Å; Y115-A118 HydrophobicContact CE1-CB 4.49Å; Y115-F126 HydrophobicContact CD2-CE2 4.3Å; Y115-F126 HydrophobicContact CD2-CZ 4.33Å; Y115-F126 HydrophobicContact CE1-CE2 4.13Å; Y115-F126 AromaticContact CE2-CE2 3.78Å; Y115-F126 HydrophobicContact CE2-CE2 3.78Å; Y115-F126 HydrophobicContact CE2-CZ 4.27Å; Y115-F126 HydrophobicContact CG-CZ 4.48Å; Y115-F126 AromaticContact CZ-CE2 3.69Å; Y115-M130 HydrophobicContact CD2-CE 3.55Å; Y115-M130 HydrophobicContact CD2-SD 3.91Å; Y115-M130 HydrophobicContact CE2-CE 3.96Å; Y115-M130 HydrophobicContact CE2-CG 4.31Å; Y115-M130 HydrophobicContact CE2-SD 3.65Å
116R98.7Very high97.4Very high87 Ų8755.1 Ų55.133%0.32826%0.258SS..EExtended strand (participates in β ladder)trans-80.2147.5179.9-65.4-178-78.8178.2-9.2110.9F13 D15 F102 A118F13-R116 HydrophobicContact CD1-CG 3.67Å; F13-R116 HydrophobicContact CE1-CG 3.98Å; F13-R116 HydrophobicContact CG-CG 4.32Å; D15-R116 IonicContact OD1-CZ 2.72Å; D15-R116 IonicContact OD1-NE 3.96Å; D15-R116 PolarHBondContact OD1-NE 3.03Å; D15-R116 IonicContact OD1-NH2 3.83Å; D15-R116 PolarHBondContact OD1-NH2 3.1Å; D15-R116 IonicContact OD2-CZ 3.46Å; D15-R116 IonicContact OD2-NE 3.99Å; D15-R116 IonicContact OD2-NH2 3.54Å; D15-R116 PolarHBondContact OD2-NH2 3.39Å; F102-R116 HydrophobicContact CB-CG 4.4Å; F102-R116 HydrophobicContact CD1-CB 4.41Å; F102-R116 HydrophobicContact CD1-CG 4.09Å; F102-R116 HydrophobicContact CD2-CB 4.23Å; F102-R116 HydrophobicContact CD2-CG 3.76Å; F102-R116 HydrophobicContact CE1-CB 4.15Å; F102-R116 HydrophobicContact CE1-CG 4.33Å; F102-R116 HydrophobicContact CE2-CB 3.95Å; F102-R116 HydrophobicContact CE2-CG 4.02Å; F102-R116 HydrophobicContact CG-CB 4.47Å; F102-R116 HydrophobicContact CG-CG 3.82Å; F102-R116 HydrophobicContact CZ-CB 3.91Å; F102-R116 HydrophobicContact CZ-CG 4.3Å; R116-A118 VanDerWaalsContact C-N 3.33Å; R116-A118 PolarHBondContact O-N 2.91Å
117D98.2Very high97.4Very high95 Ų9552.4 Ų52.451%0.50825%0.247SC..SBendtrans47.253.8-177.6-167.225.9000112.9V81 G83V81-D117 WeakPolarHBondContact O-CA 3.48Å; V81-D117 PolarHBondContact O-N 3.44Å; V81-D117 VanDerWaalsContact O-N 3.12Å; G83-D117 VanDerWaalsContact CA-OD1 3.23Å; G83-D117 WeakPolarHBondContact CA-OD1 3.47Å; G83-D117 PolarHBondContact N-OD1 3.27Å
118A98.3Very high97.4Very high1 Ų151.5 Ų51.51%0.00824%0.243CC..  trans-61.9145.9-176.600000112Y49 V81 Y115 R116 W120Y49-A118 WeakPolarHBondContact OH-CB 3.42Å; V81-A118 PolarHBondContact O-N 3.38Å; Y115-A118 HydrophobicContact CD1-CB 3.91Å; Y115-A118 HydrophobicContact CE1-CB 4.49Å; R116-A118 VanDerWaalsContact C-N 3.33Å; R116-A118 PolarHBondContact O-N 2.91Å; A118-W120 PolarHBondContact O-N 3.38Å
119P96.5Very high97.3Very high41 Ų4157.4 Ų57.427%0.26627%0.269SS..  trans-62.5132.318026.2-34.3000110.7F121 F126P119-F121 PolarHBondContact O-N 2.8Å; P119-F126 HydrophobicContact CG-CD2 3.97Å; P119-F126 HydrophobicContact CG-CE2 3.98Å; P119-F126 HydrophobicContact CG-CG 4.23Å; P119-F126 HydrophobicContact CG-CZ 4.28Å
120W94.4Very high97.4Very high35 Ų3548.1 Ų48.113%0.13323%0.234CC..SBendtrans-62.8-33.2177.7-167.3-92.2000112.9I53 C82 H90 K91 A118I53-W120 HydrophobicContact CD1-CH2 4.13Å; I53-W120 HydrophobicContact CD1-CZ3 4.45Å; I53-W120 HydrophobicContact CG1-CH2 4.36Å; I53-W120 HydrophobicContact CG1-CZ3 4.24Å; C82-W120 HydrophobicContact CB-CE3 4.2Å; C82-W120 HydrophobicContact CB-CZ3 4.15Å; H90-W120 HydrophobicContact CB-CD2 3.78Å; H90-W120 HydrophobicContact CB-CE3 4.32Å; H90-W120 HydrophobicContact CB-CG 4.36Å; H90-W120 HydrophobicContact CB-CH2 3.87Å; H90-W120 HydrophobicContact CB-CZ2 3.23Å; H90-W120 HydrophobicContact CB-CZ3 4.37Å; H90-W120 AromaticContact CD2-CD1 3.42Å; H90-W120 VanDerWaalsContact CD2-CD1 3.42Å; H90-W120 AromaticContact CD2-CD2 3.46Å; H90-W120 VanDerWaalsContact CD2-CD2 3.46Å; H90-W120 AromaticContact CD2-CE2 3.73Å; H90-W120 AromaticContact CD2-CG 3.29Å; H90-W120 AromaticContact CD2-NE1 3.65Å; H90-W120 AromaticContact CG-CD1 3.66Å; H90-W120 AromaticContact CG-CD2 3.82Å; H90-W120 AromaticContact CG-CE2 3.56Å; H90-W120 AromaticContact CG-CG 3.91Å; H90-W120 AromaticContact CG-NE1 3.43Å; H90-W120 AromaticContact ND1-NE1 3.94Å; H90-W120 AromaticContact NE2-CD1 3.73Å; H90-W120 AromaticContact NE2-CG 3.8Å; K91-W120 HydrophobicContact CB-CH2 3.68Å; K91-W120 HydrophobicContact CB-CZ2 4.13Å; K91-W120 HydrophobicContact CD-CH2 4.28Å; A118-W120 PolarHBondContact O-N 3.38Å
121F94.2Very high97.4Very high71 Ų7148.1 Ų48.131%0.31124%0.235SC..SBendtrans-112.8103.9172.1-56.6-57.6000108.5P119 A144 V147 L151P119-F121 PolarHBondContact O-N 2.8Å; F121-A144 HydrophobicContact CE1-CB 3.83Å; F121-A144 HydrophobicContact CZ-CB 4.44Å; F121-V147 HydrophobicContact CE1-CG1 4.49Å; F121-V147 HydrophobicContact CZ-CG2 4.16Å; F121-L151 HydrophobicContact CD1-CD1 3.61Å; F121-L151 HydrophobicContact CD1-CD2 3.53Å; F121-L151 HydrophobicContact CD1-CG 4.24Å; F121-L151 HydrophobicContact CE1-CD1 3.83Å; F121-L151 HydrophobicContact CE1-CD2 3.84Å; F121-L151 HydrophobicContact CE1-CG 4.47Å
122V95.7Very high97.4Very high18 Ų1847.6 Ų47.611%0.10923%0.232CC..  trans-69.3139.4174.9-177.30000109.5Y49 F126 L127 I135 F155Y49-V122 HydrophobicContact CE1-CG1 4.44Å; Y49-V122 HydrophobicContact CE1-CG2 3.88Å; V122-F126 HydrophobicContact CG1-CD1 3.72Å; V122-F126 HydrophobicContact CG1-CE1 4.28Å; V122-L127 HydrophobicContact CG1-CD2 3.86Å; V122-L127 HydrophobicContact CG1-CG 4.34Å; V122-I135 HydrophobicContact CB-CD1 4.22Å; V122-I135 HydrophobicContact CG1-CD1 3.89Å; V122-I135 HydrophobicContact CG2-CD1 4.28Å; V122-F155 HydrophobicContact CB-CE2 4.45Å; V122-F155 HydrophobicContact CB-CZ 4.17Å; V122-F155 HydrophobicContact CG1-CE2 4.5Å; V122-F155 HydrophobicContact CG1-CZ 3.91Å; V122-F155 WeakPolarHBondContact O-CZ 3Å
123T96.2Very high97.4Very high69 Ų6945.5 Ų45.542%0.42322%0.221SC..  trans-121.5161.7-18066.70000111.2D125 F126 L127T123-D125 VanDerWaalsContact C-N 3.25Å; T123-D125 PolarHBondContact O-N 2.9Å; T123-F126 WeakPolarHBondContact O-CB 3.33Å; T123-F126 PolarHBondContact O-N 2.85Å; T123-F126 WeakPolarHBondContact OG1-CB 3.43Å; T123-F126 PolarHBondContact OG1-N 3.28Å; T123-F126 VanDerWaalsContact OG1-N 3.11Å; T123-L127 PolarHBondContact O-N 3.07Å; T123-L127 VanDerWaalsContact O-N 3.12Å
124M96Very high97.4Very high54 Ų5445.6 Ų45.627%0.26622%0.221SC..Hα-helixtrans-61-37172.1-72.3-65.7-175.600111.9F126 L127 H128 P154 F155 A158 M160M124-F126 VanDerWaalsContact C-N 3.33Å; M124-F126 PolarHBondContact O-N 3.07Å; M124-L127 PolarHBondContact O-N 2.95Å; M124-L127 VanDerWaalsContact O-N 3.17Å; M124-L127 HydrophobicContact SD-CD1 4.37Å; M124-H128 VanDerWaalsContact O-CG 3.28Å; M124-H128 PolarHBondContact O-N 2.98Å; M124-H128 PolarHBondContact O-ND1 2.8Å; M124-P154 HydrophobicContact CE-CB 4.24Å; M124-P154 WeakPolarHBondContact CE-O 3.32Å; M124-F155 HydrophobicContact CE-CD1 3.52Å; M124-F155 HydrophobicContact CE-CE1 4.03Å; M124-F155 HydrophobicContact CE-CG 4.38Å; M124-F155 HydrophobicContact CG-CE1 4.28Å; M124-F155 HydrophobicContact SD-CD1 3.71Å; M124-F155 HydrophobicContact SD-CE1 3.8Å; M124-A158 HydrophobicContact CE-CB 3.56Å; M124-M160 HydrophobicContact CE-SD 4.5Å; M124-M160 HydrophobicContact SD-SD 4.2Å
125D97.1Very high97.4Very high125 Ų12545.6 Ų45.667%0.66822%0.221SC*.Hα-helixtrans-62.6-41.6177.4-64.9-21000111.4T123 L127 H128 E129T123-D125 VanDerWaalsContact C-N 3.25Å; T123-D125 PolarHBondContact O-N 2.9Å; D125-L127 PolarHBondContact O-N 3.26Å; D125-H128 PolarHBondContact O-N 2.99Å; D125-E129 WeakPolarHBondContact O-CB 3.39Å; D125-E129 PolarHBondContact O-N 3.42Å
126F98Very high97.3Very high16 Ų1642.7 Ų42.77%0.0721%0.21CC..Hα-helixtrans-60.8-44.2172.8171.7-94.8000111.8Y49 Y115 P119 V122 T123 M124 H128 E129 M130 I132Y49-F126 HydrophobicContact CD1-CE1 4.34Å; Y49-F126 HydrophobicContact CD2-CE1 4.37Å; Y49-F126 AromaticContact CE1-CE1 3.92Å; Y49-F126 HydrophobicContact CE1-CE1 3.92Å; Y49-F126 AromaticContact CE2-CE1 3.95Å; Y49-F126 HydrophobicContact CE2-CE1 3.95Å; Y49-F126 AromaticContact CE2-CZ 3.98Å; Y49-F126 HydrophobicContact CE2-CZ 3.98Å; Y49-F126 AromaticContact CZ-CE1 3.7Å; Y49-F126 AromaticContact CZ-CZ 3.94Å; Y115-F126 HydrophobicContact CD2-CE2 4.3Å; Y115-F126 HydrophobicContact CD2-CZ 4.33Å; Y115-F126 HydrophobicContact CE1-CE2 4.13Å; Y115-F126 AromaticContact CE2-CE2 3.78Å; Y115-F126 HydrophobicContact CE2-CE2 3.78Å; Y115-F126 HydrophobicContact CE2-CZ 4.27Å; Y115-F126 HydrophobicContact CG-CZ 4.48Å; Y115-F126 AromaticContact CZ-CE2 3.69Å; P119-F126 HydrophobicContact CG-CD2 3.97Å; P119-F126 HydrophobicContact CG-CE2 3.98Å; P119-F126 HydrophobicContact CG-CG 4.23Å; P119-F126 HydrophobicContact CG-CZ 4.28Å; V122-F126 HydrophobicContact CG1-CD1 3.72Å; V122-F126 HydrophobicContact CG1-CE1 4.28Å; T123-F126 WeakPolarHBondContact O-CB 3.33Å; T123-F126 PolarHBondContact O-N 2.85Å; T123-F126 WeakPolarHBondContact OG1-CB 3.43Å; T123-F126 PolarHBondContact OG1-N 3.28Å; T123-F126 VanDerWaalsContact OG1-N 3.11Å; M124-F126 VanDerWaalsContact C-N 3.33Å; M124-F126 PolarHBondContact O-N 3.07Å; F126-H128 VanDerWaalsContact C-N 3.31Å; F126-H128 PolarHBondContact O-N 2.98Å; F126-E129 PolarHBondContact O-N 3.3Å; F126-M130 HydrophobicContact CD2-CG 4.09Å; F126-M130 HydrophobicContact CE1-CG 4.35Å; F126-M130 HydrophobicContact CE2-CG 3.68Å; F126-M130 HydrophobicContact CZ-CG 3.84Å; F126-M130 WeakPolarHBondContact O-CB 3.3Å; F126-M130 PolarHBondContact O-N 2.93Å; F126-I132 HydrophobicContact CD1-CD1 4.28Å; F126-I132 HydrophobicContact CE1-CD1 3.76Å; F126-I132 HydrophobicContact CZ-CD1 4.46Å
127L97.8Very high97.2Very high0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-61.2-41.1176.6-61.5-168.9000111.8V122 T123 M124 D125 K131 I132 F155 M160V122-L127 HydrophobicContact CG1-CD2 3.86Å; V122-L127 HydrophobicContact CG1-CG 4.34Å; T123-L127 PolarHBondContact O-N 3.07Å; T123-L127 VanDerWaalsContact O-N 3.12Å; M124-L127 PolarHBondContact O-N 2.95Å; M124-L127 VanDerWaalsContact O-N 3.17Å; M124-L127 HydrophobicContact SD-CD1 4.37Å; D125-L127 PolarHBondContact O-N 3.26Å; L127-K131 WeakPolarHBondContact O-CA 3.45Å; L127-K131 PolarHBondContact O-N 3.37Å; L127-I132 HydrophobicContact CB-CB 4.19Å; L127-I132 HydrophobicContact CD2-CB 3.89Å; L127-I132 HydrophobicContact CD2-CD1 3.66Å; L127-I132 HydrophobicContact CD2-CG1 4.38Å; L127-I132 HydrophobicContact CD2-CG2 3.8Å; L127-I132 PolarHBondContact O-N 2.84Å; L127-F155 HydrophobicContact CD1-CD1 3.48Å; L127-F155 VanDerWaalsContact CD1-CD1 3.48Å; L127-F155 HydrophobicContact CD1-CE1 3.48Å; L127-F155 VanDerWaalsContact CD1-CE1 3.48Å; L127-F155 HydrophobicContact CD1-CG 4.49Å; L127-F155 HydrophobicContact CD1-CZ 4.49Å; L127-F155 HydrophobicContact CG-CE1 4.08Å; L127-M160 HydrophobicContact CD1-CE 3.87Å
128H97Very high97Very high102 Ų10235.9 Ų35.947%0.47218%0.179SC..Hα-helixtrans-66.3-46.1176.9-65154.8000112.3M124 D125 F126 M130 K131M124-H128 VanDerWaalsContact O-CG 3.28Å; M124-H128 PolarHBondContact O-N 2.98Å; M124-H128 PolarHBondContact O-ND1 2.8Å; D125-H128 PolarHBondContact O-N 2.99Å; F126-H128 VanDerWaalsContact C-N 3.31Å; F126-H128 PolarHBondContact O-N 2.98Å; H128-M130 VanDerWaalsContact C-N 3.33Å; H128-M130 PolarHBondContact O-N 3.43Å; H128-K131 PolarHBondContact O-N 3.07Å; H128-K131 VanDerWaalsContact O-N 3.15Å
129E97.1Very high96.6Very high139 Ų13937.8 Ų37.865%0.6520%0.195SC*.Hα-helixtrans-60.6-43.5178.5-175.6-178.4157.300111.6D125 F126 K131D125-E129 WeakPolarHBondContact O-CB 3.39Å; D125-E129 PolarHBondContact O-N 3.42Å; F126-E129 PolarHBondContact O-N 3.3Å; E129-K131 VanDerWaalsContact C-N 3.25Å; E129-K131 PolarHBondContact O-N 3.43Å
130M98.2Very high96.4Very high3 Ų341.3 Ų41.32%0.01521%0.211CC..THydrogen-bonded Turntrans-83-0.8179.6-69.5-61.4-60.600113.8R23 R47 E113 Y115 F126 H128 I132R23-M130 VanDerWaalsContact NH1-CE 3.34Å; R47-M130 PolarHBondContact NE-O 3.32Å; R47-M130 PolarHBondContact NH2-O 2.96Å; E113-M130 WeakPolarHBondContact OE1-CE 3.26Å; Y115-M130 HydrophobicContact CD2-CE 3.55Å; Y115-M130 HydrophobicContact CD2-SD 3.91Å; Y115-M130 HydrophobicContact CE2-CE 3.96Å; Y115-M130 HydrophobicContact CE2-CG 4.31Å; Y115-M130 HydrophobicContact CE2-SD 3.65Å; F126-M130 HydrophobicContact CD2-CG 4.09Å; F126-M130 HydrophobicContact CE1-CG 4.35Å; F126-M130 HydrophobicContact CE2-CG 3.68Å; F126-M130 HydrophobicContact CZ-CG 3.84Å; F126-M130 WeakPolarHBondContact O-CB 3.3Å; F126-M130 PolarHBondContact O-N 2.93Å; H128-M130 VanDerWaalsContact C-N 3.33Å; H128-M130 PolarHBondContact O-N 3.43Å; M130-I132 HydrophobicContact CB-CD1 3.47Å; M130-I132 VanDerWaalsContact CB-CD1 3.47Å; M130-I132 HydrophobicContact CB-CG1 3.77Å; M130-I132 HydrophobicContact CG-CD1 4.36Å
131K98.2Very high96Very high37 Ų3743.3 Ų43.316%0.16123%0.228CC..THydrogen-bonded Turntrans53.851.3-178.1-58.9-177.5-179.1-176.10112R23 E24 I26 Y28 R47 L127 H128 E129R23-K131 HydrophobicContact CG-CD 4.12Å; R23-K131 HydrophobicContact CG-CG 4.41Å; R23-K131 VanDerWaalsContact O-CD 3.26Å; R23-K131 WeakPolarHBondContact O-CD 3.48Å; R23-K131 WeakPolarHBondContact O-CE 3.29Å; R23-K131 PolarHBondContact O-NZ 3.37Å; E24-K131 PolarHBondContact O-NZ 3.49Å; I26-K131 HydrophobicContact CB-CD 3.87Å; I26-K131 HydrophobicContact CG2-CD 4.23Å; I26-K131 PolarHBondContact O-NZ 2.97Å; Y28-K131 HydrophobicContact CD1-CB 4.3Å; Y28-K131 HydrophobicContact CD1-CG 4.24Å; Y28-K131 HydrophobicContact CD2-CB 3.58Å; Y28-K131 HydrophobicContact CD2-CG 4.23Å; Y28-K131 HydrophobicContact CE2-CB 4.09Å; Y28-K131 WeakPolarHBondContact CE2-O 3.42Å; Y28-K131 HydrophobicContact CG-CB 3.72Å; Y28-K131 HydrophobicContact CG-CD 4.42Å; Y28-K131 HydrophobicContact CG-CG 3.84Å; R47-K131 WeakPolarHBondContact CB-O 3.3Å; R47-K131 WeakPolarHBondContact CD-O 3.34Å; R47-K131 PolarHBondContact NE-O 3.44Å; L127-K131 WeakPolarHBondContact O-CA 3.45Å; L127-K131 PolarHBondContact O-N 3.37Å; H128-K131 PolarHBondContact O-N 3.07Å; H128-K131 VanDerWaalsContact O-N 3.15Å; E129-K131 VanDerWaalsContact C-N 3.25Å; E129-K131 PolarHBondContact O-N 3.43Å
132I98.6Very high95.7Very high0 Ų042.9 Ų42.90%023%0.225CC..  trans-98.3121.1-175.4-66.2163.1000110.5Y28 Y49 I78 F126 L127 M130 F134 M160Y28-I132 VanDerWaalsContact OH-C 3.24Å; Y28-I132 PolarHBondContact OH-O 3.36Å; Y49-I132 HydrophobicContact CD1-CD1 4.44Å; Y49-I132 HydrophobicContact CD2-CD1 3.87Å; Y49-I132 HydrophobicContact CG-CD1 3.74Å; I78-I132 HydrophobicContact CD1-CD1 4.48Å; I78-I132 HydrophobicContact CD1-CG1 3.84Å; F126-I132 HydrophobicContact CD1-CD1 4.28Å; F126-I132 HydrophobicContact CE1-CD1 3.76Å; F126-I132 HydrophobicContact CZ-CD1 4.46Å; L127-I132 HydrophobicContact CB-CB 4.19Å; L127-I132 HydrophobicContact CD2-CB 3.89Å; L127-I132 HydrophobicContact CD2-CD1 3.66Å; L127-I132 HydrophobicContact CD2-CG1 4.38Å; L127-I132 HydrophobicContact CD2-CG2 3.8Å; L127-I132 PolarHBondContact O-N 2.84Å; M130-I132 HydrophobicContact CB-CD1 3.47Å; M130-I132 VanDerWaalsContact CB-CD1 3.47Å; M130-I132 HydrophobicContact CB-CG1 3.77Å; M130-I132 HydrophobicContact CG-CD1 4.36Å; I132-F134 WeakPolarHBondContact CG2-O 3.36Å; I132-M160 WeakPolarHBondContact O-CE 3.29Å
133D98.5Very high95.4Very high3 Ų347 Ų472%0.01625%0.246CC..SBendtrans-78.1-41.3179.7-57.2-59.9000112.7Y28 R44 V46 R47 M160Y28-D133 VanDerWaalsContact CE2-OD1 3.31Å; Y28-D133 WeakPolarHBondContact CE2-OD1 3.38Å; R44-D133 IonicContact CZ-OD1 2.96Å; R44-D133 IonicContact CZ-OD2 3.41Å; R44-D133 IonicContact NH1-OD1 3.01Å; R44-D133 IonicContact NH1-OD2 2.94Å; R44-D133 PolarHBondContact NH1-OD2 2.91Å; R44-D133 IonicContact NH2-OD1 3.28Å; R44-D133 PolarHBondContact NH2-OD1 3.01Å; R44-D133 IonicContact NH2-OD2 2.74Å; R44-D133 PolarHBondContact NH2-OD2 3.15Å; V46-D133 HydrophobicContact CG1-CB 4.05Å; R47-D133 PolarHBondContact N-OD2 3.41Å; R47-D133 WeakPolarHBondContact O-CB 3.38Å; R47-D133 PolarHBondContact O-N 3.12Å; D133-M160 WeakPolarHBondContact O-CE 3.35Å
134F98.7Very high94.9Very high1 Ų144.2 Ų44.20%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-137.3146.9-177.8-58.5-91.4000111.9I32 Y34 A37 V46 R47 V48 Y49 F72 I132 G159 M160 V162I32-F134 HydrophobicContact CG2-CE2 4.32Å; Y34-F134 HydrophobicContact CD2-CD1 4.35Å; Y34-F134 AromaticContact CD2-CE1 3.83Å; Y34-F134 HydrophobicContact CD2-CE1 3.83Å; Y34-F134 HydrophobicContact CG-CE1 4.4Å; A37-F134 HydrophobicContact CB-CE2 3.8Å; A37-F134 HydrophobicContact CB-CZ 3.99Å; V46-F134 HydrophobicContact CG1-CD2 3.44Å; V46-F134 VanDerWaalsContact CG1-CD2 3.44Å; V46-F134 HydrophobicContact CG1-CE2 3.54Å; R47-F134 PolarHBondContact O-N 3.41Å; V48-F134 CarbonylContact C-O 3.56Å; V48-F134 VanDerWaalsContact CA-O 3.31Å; V48-F134 WeakPolarHBondContact CA-O 3.5Å; V48-F134 HydrophobicContact CG2-CB 4.38Å; Y49-F134 PolarHBondContact N-O 3.34Å; F72-F134 HydrophobicContact CD2-CD2 4.42Å; F72-F134 HydrophobicContact CE2-CB 4.4Å; F72-F134 HydrophobicContact CE2-CD1 4.34Å; F72-F134 AromaticContact CE2-CD2 3.49Å; F72-F134 HydrophobicContact CE2-CD2 3.49Å; F72-F134 VanDerWaalsContact CE2-CD2 3.49Å; F72-F134 AromaticContact CE2-CE2 3.79Å; F72-F134 HydrophobicContact CE2-CE2 3.79Å; F72-F134 AromaticContact CE2-CG 3.82Å; F72-F134 HydrophobicContact CE2-CG 3.82Å; F72-F134 HydrophobicContact CE2-CZ 4.35Å; F72-F134 HydrophobicContact CZ-CD1 4.09Å; F72-F134 AromaticContact CZ-CD2 3.9Å; F72-F134 HydrophobicContact CZ-CD2 3.9Å; F72-F134 HydrophobicContact CZ-CE1 4.06Å; F72-F134 AromaticContact CZ-CE2 3.87Å; F72-F134 HydrophobicContact CZ-CE2 3.87Å; F72-F134 HydrophobicContact CZ-CG 4.03Å; F72-F134 AromaticContact CZ-CZ 3.96Å; F72-F134 HydrophobicContact CZ-CZ 3.96Å; I132-F134 WeakPolarHBondContact CG2-O 3.36Å; F134-G159 WeakPolarHBondContact CE1-O 3.17Å; F134-M160 CarbonylContact C-O 3.57Å; F134-M160 VanDerWaalsContact CA-O 3.23Å; F134-M160 WeakPolarHBondContact CA-O 3.14Å; F134-V162 HydrophobicContact CB-CG2 3.82Å; F134-V162 HydrophobicContact CD1-CG2 4.16Å; F134-V162 HydrophobicContact CG-CG2 4.12Å
135I98.3Very high94.4Very high0 Ų047.8 Ų47.80%026%0.258CS..EExtended strand (participates in β ladder)trans-103.8133.9167.4-170.5159.4000109.9Y49 V122 Y152 F155 M160 F161 V162Y49-I135 HydrophobicContact CD1-CD1 3.88Å; Y49-I135 HydrophobicContact CD1-CG1 4.02Å; Y49-I135 HydrophobicContact CE1-CD1 4.3Å; Y49-I135 CarbonylContact O-C 3.58Å; Y49-I135 WeakPolarHBondContact O-CA 3.43Å; V122-I135 HydrophobicContact CB-CD1 4.22Å; V122-I135 HydrophobicContact CG1-CD1 3.89Å; V122-I135 HydrophobicContact CG2-CD1 4.28Å; I135-Y152 HydrophobicContact CD1-CD1 3.96Å; I135-Y152 HydrophobicContact CD1-CE1 3.59Å; I135-Y152 HydrophobicContact CG1-CD1 4.38Å; I135-Y152 HydrophobicContact CG1-CE1 4.11Å; I135-F155 HydrophobicContact CD1-CD2 4.39Å; I135-F155 HydrophobicContact CD1-CE2 4.29Å; I135-F155 HydrophobicContact CG2-CB 3.51Å; I135-F155 HydrophobicContact CG2-CD1 4.35Å; I135-F155 HydrophobicContact CG2-CD2 3.84Å; I135-F155 HydrophobicContact CG2-CG 3.65Å; I135-M160 PolarHBondContact N-O 3.49Å; I135-F161 HydrophobicContact CG2-CD2 3.78Å; I135-F161 HydrophobicContact CG2-CE2 4.39Å; I135-F161 CarbonylContact O-C 3.59Å; I135-F161 WeakPolarHBondContact O-CA 3.49Å; I135-V162 PolarHBondContact O-N 2.96Å
136A98.4Very high93.9Very high0 Ų046.3 Ų46.30%027%0.272CS..EExtended strand (participates in β ladder)trans-112.8117-178.300000110.7V48 Y49 A50 A68 V162 T164V48-A136 HydrophobicContact CG1-CB 3.71Å; Y49-A136 PolarHBondContact O-N 2.92Å; A50-A136 HydrophobicContact CB-CB 4.36Å; A68-A136 HydrophobicContact CB-CB 3.72Å; A136-V162 VanDerWaalsContact CA-O 3.25Å; A136-V162 WeakPolarHBondContact CA-O 3.48Å; A136-V162 HydrophobicContact CB-CB 4.05Å; A136-V162 HydrophobicContact CB-CG1 4.15Å; A136-T164 HydrophobicContact CB-CG2 4.14Å
137H96.7Very high93.4Very high19 Ų1950 Ų509%0.08830%0.296CS..EExtended strand (participates in β ladder)trans-148.1172.5176.8-163.4-84.8000110.2D51 Y152 F161 V162 T164D51-H137 IonicContact OD1-CD2 2.62Å; H137-Y152 HydrophobicContact CB-CD1 4.29Å; H137-Y152 HydrophobicContact CB-CE1 3.95Å; H137-Y152 HydrophobicContact CB-CE2 4.28Å; H137-Y152 AromaticContact CD2-CE2 3.87Å; H137-Y152 AromaticContact CD2-CZ 3.53Å; H137-Y152 PolarHBondContact CD2-OH 2.85Å; H137-Y152 AromaticContact CG-CE2 3.7Å; H137-Y152 AromaticContact CG-CZ 3.59Å; H137-Y152 AromaticContact ND1-CE2 3.78Å; H137-F161 HydrophobicContact CB-CE2 3.91Å; H137-F161 HydrophobicContact CB-CZ 3.82Å; H137-V162 PolarHBondContact N-O 3.05Å; H137-T164 PolarHBondContact O-N 3.46Å; H137-T164 PolarHBondContact O-OG1 3.27Å; H137-T164 VanDerWaalsContact O-OG1 3.11Å
138D93.6Very high93Very high20 Ų2052 Ų5211%0.10731%0.31CS..EExtended strand (participates in β ladder)trans-63.4155171.573.455.1000112.2L140 F161 T164 R166D138-L140 PolarHBondContact O-N 3.31Å; D138-L140 WeakPolarHBondContact OD1-CB 3.23Å; D138-L140 PolarHBondContact OD1-N 2.91Å; D138-F161 WeakPolarHBondContact O-CZ 3.19Å; D138-T164 WeakPolarHBondContact CA-O 3.29Å; D138-T164 PolarHBondContact N-OG1 3.41Å; D138-R166 HydrophobicContact CB-CG 4.3Å; D138-R166 IonicContact OD2-NH1 2.77Å
139A90.6Very high92.7Very high41 Ų4151.9 Ų51.934%0.33932%0.317SS..SBendtrans-73-8.7-174.700000114E163A139-E163 HydrophobicContact CB-CB 4.48Å; A139-E163 HydrophobicContact CB-CG 3.88Å
140L90.4Very high92.5Very high114 Ų11446 Ų4660%0.59729%0.289SS*.SBendtrans-77.1142.3-175.6-61.5176.3000110.4D138 Y142D138-L140 PolarHBondContact O-N 3.31Å; D138-L140 WeakPolarHBondContact OD1-CB 3.23Å; D138-L140 PolarHBondContact OD1-N 2.91Å; L140-Y142 PolarHBondContact O-N 3.23Å
141P87.7Confident92.2Very high77 Ų7747.1 Ų47.150%0.530%0.296SS..  trans-58.4125.2172.9-25.935.1000111.7N143 D150P141-N143 PolarHBondContact O-N 3.13Å; P141-D150 HydrophobicContact CB-CB 4.04Å
142Y87Confident92Very high62 Ų6246 Ų4624%0.24329%0.291CS..  trans-93.799.2177.8-160.8-81.7000110.1L140 D150 L151 Y152L140-Y142 PolarHBondContact O-N 3.23Å; Y142-D150 PolarHBondContact N-OD1 2.7Å; Y142-D150 CarbonylContact O-C 3.58Å; Y142-D150 WeakPolarHBondContact O-CA 3.31Å; Y142-L151 HydrophobicContact CD1-CD1 3.45Å; Y142-L151 VanDerWaalsContact CD1-CD1 3.45Å; Y142-L151 HydrophobicContact CD1-CG 4.08Å; Y142-L151 HydrophobicContact CE1-CD1 3.9Å; Y142-L151 HydrophobicContact CG-CD1 4.41Å; Y142-L151 PolarHBondContact O-N 3.35Å; Y142-Y152 HydrophobicContact CG-CE2 4.26Å
143N89.4Confident91.8Very high104 Ų10449.6 Ų49.656%0.55631%0.307SS*.  trans-76.6130.2-177.2-72.6-88.5000111.3P141 T149P141-N143 PolarHBondContact O-N 3.13Å; N143-T149 WeakPolarHBondContact OD1-CA 3.44Å; N143-T149 PolarHBondContact OD1-O 2.89Å
144A85.8Confident91.6Very high11 Ų1151.8 Ų51.89%0.09132%0.322CS..BIsolated β-bridgetrans-121.9103.9171.300000109F121 G146 V147 S148 L151F121-A144 HydrophobicContact CE1-CB 3.83Å; F121-A144 HydrophobicContact CZ-CB 4.44Å; A144-G146 PolarHBondContact O-N 3.47Å; A144-V147 HydrophobicContact CB-CB 3.91Å; A144-V147 PolarHBondContact O-N 2.97Å; A144-S148 CarbonylContact C-O 3.53Å; A144-S148 PolarHBondContact N-O 3.37Å; A144-S148 PolarHBondContact O-N 3.23Å; A144-S148 VanDerWaalsContact O-O 3.06Å; A144-L151 HydrophobicContact CB-CD1 4.18Å; A144-L151 HydrophobicContact CB-CD2 3.72Å; A144-L151 HydrophobicContact CB-CG 3.96Å
145P85.1Confident91.5Very high130 Ų13052 Ų5284%0.84432%0.322SS*.THydrogen-bonded Turntrans-52.2126.7-176.9-28.135.3000112.6V147P145-V147 PolarHBondContact O-N 3.45Å
146G86.8Confident91.4Very high94 Ų9455 Ų5597%0.96933%0.334SS*.THydrogen-bonded Turntrans76.8-3.3-178.800000115.7A144A144-G146 PolarHBondContact O-N 3.47Å
147V86.8Confident91.2Very high94 Ų9462.8 Ų62.857%0.5736%0.363SS*.THydrogen-bonded Turntrans-115.6-59.4-178.8-178.10000111.4F121 A144 P145 L151F121-V147 HydrophobicContact CE1-CG1 4.49Å; F121-V147 HydrophobicContact CZ-CG2 4.16Å; A144-V147 HydrophobicContact CB-CB 3.91Å; A144-V147 PolarHBondContact O-N 2.97Å; P145-V147 PolarHBondContact O-N 3.45Å; V147-L151 HydrophobicContact CG1-CD2 4.29Å
148S89.5Confident91.2Very high41 Ų4163.3 Ų63.329%0.28737%0.371SS..BIsolated β-bridgetrans-157.6148.5179.8-175.20000111A144 D150A144-S148 CarbonylContact C-O 3.53Å; A144-S148 PolarHBondContact N-O 3.37Å; A144-S148 PolarHBondContact O-N 3.23Å; A144-S148 VanDerWaalsContact O-O 3.06Å; S148-D150 PolarHBondContact O-N 3.17Å; S148-D150 VanDerWaalsContact OG-C 3.22Å; S148-D150 PolarHBondContact OG-N 3.44Å; S148-D150 PolarHBondContact OG-O 3.31Å
149T90.8Very high91.4Very high100 Ų10064.2 Ų64.261%0.61339%0.385SS*.SBendtrans-71.3-18.9166.949.90000112.2N143N143-T149 WeakPolarHBondContact OD1-CA 3.44Å; N143-T149 PolarHBondContact OD1-O 2.89Å
150D92.7Very high91.7Very high14 Ų1462.6 Ų62.68%0.07537%0.371CS..  trans-156.9105.8179.7-177.610.2000110.5P141 Y142 S148 Y152 E153 R156P141-D150 HydrophobicContact CB-CB 4.04Å; Y142-D150 PolarHBondContact N-OD1 2.7Å; Y142-D150 CarbonylContact O-C 3.58Å; Y142-D150 WeakPolarHBondContact O-CA 3.31Å; S148-D150 PolarHBondContact O-N 3.17Å; S148-D150 VanDerWaalsContact OG-C 3.22Å; S148-D150 PolarHBondContact OG-N 3.44Å; S148-D150 PolarHBondContact OG-O 3.31Å; D150-Y152 PolarHBondContact O-N 3.02Å; D150-Y152 PolarHBondContact OD1-N 3.06Å; D150-Y152 VanDerWaalsContact OD1-N 3.15Å; D150-E153 HydrophobicContact CB-CB 4Å; D150-E153 PolarHBondContact O-N 2.82Å; D150-E153 WeakPolarHBondContact OD2-CB 3.32Å; D150-R156 IonicContact OD1-NH2 2.81Å; D150-R156 PolarHBondContact OD1-NH2 3.29Å; D150-R156 IonicContact OD2-CZ 2.67Å; D150-R156 IonicContact OD2-NE 3.75Å; D150-R156 IonicContact OD2-NH2 3.86Å; D150-R156 PolarHBondContact OD2-NH2 2.64Å
151L92.1Very high92Very high28 Ų2858.1 Ų58.115%0.14735%0.346CS..THydrogen-bonded Turntrans-62.6-26.6179.9-68.6180000113F121 Y142 A144 V147F121-L151 HydrophobicContact CD1-CD1 3.61Å; F121-L151 HydrophobicContact CD1-CD2 3.53Å; F121-L151 HydrophobicContact CD1-CG 4.24Å; F121-L151 HydrophobicContact CE1-CD1 3.83Å; F121-L151 HydrophobicContact CE1-CD2 3.84Å; F121-L151 HydrophobicContact CE1-CG 4.47Å; Y142-L151 HydrophobicContact CD1-CD1 3.45Å; Y142-L151 VanDerWaalsContact CD1-CD1 3.45Å; Y142-L151 HydrophobicContact CD1-CG 4.08Å; Y142-L151 HydrophobicContact CE1-CD1 3.9Å; Y142-L151 HydrophobicContact CG-CD1 4.41Å; Y142-L151 PolarHBondContact O-N 3.35Å; A144-L151 HydrophobicContact CB-CD1 4.18Å; A144-L151 HydrophobicContact CB-CD2 3.72Å; A144-L151 HydrophobicContact CB-CG 3.96Å; V147-L151 HydrophobicContact CG1-CD2 4.29Å
152Y94.1Very high92.5Very high14 Ų1454.7 Ų54.76%0.05532%0.324CS..THydrogen-bonded Turntrans-98.2-4-173.6-65.1-83000114.1D51 I135 H137 Y142 D150 P154 F155 R156 F161D51-Y152 PolarHBondContact OD1-OH 3.19Å; D51-Y152 PolarHBondContact OD2-OH 3.12Å; D51-Y152 VanDerWaalsContact OD2-OH 3.13Å; I135-Y152 HydrophobicContact CD1-CD1 3.96Å; I135-Y152 HydrophobicContact CD1-CE1 3.59Å; I135-Y152 HydrophobicContact CG1-CD1 4.38Å; I135-Y152 HydrophobicContact CG1-CE1 4.11Å; H137-Y152 HydrophobicContact CB-CD1 4.29Å; H137-Y152 HydrophobicContact CB-CE1 3.95Å; H137-Y152 HydrophobicContact CB-CE2 4.28Å; H137-Y152 AromaticContact CD2-CE2 3.87Å; H137-Y152 AromaticContact CD2-CZ 3.53Å; H137-Y152 PolarHBondContact CD2-OH 2.85Å; H137-Y152 AromaticContact CG-CE2 3.7Å; H137-Y152 AromaticContact CG-CZ 3.59Å; H137-Y152 AromaticContact ND1-CE2 3.78Å; Y142-Y152 HydrophobicContact CG-CE2 4.26Å; D150-Y152 PolarHBondContact O-N 3.02Å; D150-Y152 PolarHBondContact OD1-N 3.06Å; D150-Y152 VanDerWaalsContact OD1-N 3.15Å; Y152-P154 VanDerWaalsContact C-CD 3.42Å; Y152-F155 AromaticContact CD1-CD2 3.92Å; Y152-F155 HydrophobicContact CD1-CD2 3.92Å; Y152-F155 HydrophobicContact CD1-CE2 4.17Å; Y152-F155 PolarHBondContact O-N 2.8Å; Y152-R156 PolarHBondContact O-N 3.5Å; Y152-F161 HydrophobicContact CD1-CD2 4.43Å; Y152-F161 AromaticContact CD1-CE2 3.8Å; Y152-F161 HydrophobicContact CD1-CE2 3.8Å; Y152-F161 AromaticContact CG-CE2 3.84Å; Y152-F161 HydrophobicContact CG-CE2 3.84Å
153E94.8Very high93Very high75 Ų7557.4 Ų57.435%0.3534%0.339SS..Hα-helixtrans-53.6-43.2177.9-156-161.7168.100113.6D150 F155 R156 R157D150-E153 HydrophobicContact CB-CB 4Å; D150-E153 PolarHBondContact O-N 2.82Å; D150-E153 WeakPolarHBondContact OD2-CB 3.32Å; E153-F155 VanDerWaalsContact C-N 3.28Å; E153-F155 PolarHBondContact O-N 2.7Å; E153-R156 PolarHBondContact O-N 2.95Å; E153-R157 PolarHBondContact O-N 2.74Å; E153-R157 IonicContact OE1-CZ 3.36Å; E153-R157 IonicContact OE1-NH1 2.64Å; E153-R157 PolarHBondContact OE1-NH1 3.4Å; E153-R157 IonicContact OE2-CZ 3.87Å; E153-R157 IonicContact OE2-NH1 2.7Å; E153-R157 PolarHBondContact OE2-NH1 3.28Å
154P95.5Very high93.4Very high49 Ų4952.6 Ų52.632%0.31831%0.313SS..Hα-helixtrans-59.5-37.6179.2-24.335.9000113.1M124 Y152 A158M124-P154 HydrophobicContact CE-CB 4.24Å; M124-P154 WeakPolarHBondContact CE-O 3.32Å; Y152-P154 VanDerWaalsContact C-CD 3.42Å; P154-A158 WeakPolarHBondContact O-CB 3.24Å; P154-A158 PolarHBondContact O-N 2.88Å
155F96.5Very high93.9Very high4 Ų457.6 Ų57.62%0.01834%0.335CS..Hα-helixtrans-73.6-37179.6-47.2-65.1000111.8V122 M124 L127 I135 Y152 E153 A158 G159 M160 F161V122-F155 HydrophobicContact CB-CE2 4.45Å; V122-F155 HydrophobicContact CB-CZ 4.17Å; V122-F155 HydrophobicContact CG1-CE2 4.5Å; V122-F155 HydrophobicContact CG1-CZ 3.91Å; V122-F155 WeakPolarHBondContact O-CZ 3Å; M124-F155 HydrophobicContact CE-CD1 3.52Å; M124-F155 HydrophobicContact CE-CE1 4.03Å; M124-F155 HydrophobicContact CE-CG 4.38Å; M124-F155 HydrophobicContact CG-CE1 4.28Å; M124-F155 HydrophobicContact SD-CD1 3.71Å; M124-F155 HydrophobicContact SD-CE1 3.8Å; L127-F155 HydrophobicContact CD1-CD1 3.48Å; L127-F155 VanDerWaalsContact CD1-CD1 3.48Å; L127-F155 HydrophobicContact CD1-CE1 3.48Å; L127-F155 VanDerWaalsContact CD1-CE1 3.48Å; L127-F155 HydrophobicContact CD1-CG 4.49Å; L127-F155 HydrophobicContact CD1-CZ 4.49Å; L127-F155 HydrophobicContact CG-CE1 4.08Å; I135-F155 HydrophobicContact CD1-CD2 4.39Å; I135-F155 HydrophobicContact CD1-CE2 4.29Å; I135-F155 HydrophobicContact CG2-CB 3.51Å; I135-F155 HydrophobicContact CG2-CD1 4.35Å; I135-F155 HydrophobicContact CG2-CD2 3.84Å; I135-F155 HydrophobicContact CG2-CG 3.65Å; Y152-F155 AromaticContact CD1-CD2 3.92Å; Y152-F155 HydrophobicContact CD1-CD2 3.92Å; Y152-F155 HydrophobicContact CD1-CE2 4.17Å; Y152-F155 PolarHBondContact O-N 2.8Å; E153-F155 VanDerWaalsContact C-N 3.28Å; E153-F155 PolarHBondContact O-N 2.7Å; F155-A158 CarbonylContact O-C 3.55Å; F155-A158 PolarHBondContact O-N 2.93Å; F155-G159 PolarHBondContact O-N 3.04Å; F155-G159 VanDerWaalsContact O-N 3.16Å; F155-M160 PolarHBondContact O-N 2.89Å; F155-F161 HydrophobicContact CB-CD2 4.41Å
156R94.8Very high94.4Very high65 Ų6558.7 Ų58.725%0.24532%0.322CS..Hα-helixtrans-60.1-48.8171.1-83.7-174.2-83.9-847.5111.5D150 Y152 E153 A158 G159 F161D150-R156 IonicContact OD1-NH2 2.81Å; D150-R156 PolarHBondContact OD1-NH2 3.29Å; D150-R156 IonicContact OD2-CZ 2.67Å; D150-R156 IonicContact OD2-NE 3.75Å; D150-R156 IonicContact OD2-NH2 3.86Å; D150-R156 PolarHBondContact OD2-NH2 2.64Å; Y152-R156 PolarHBondContact O-N 3.5Å; E153-R156 PolarHBondContact O-N 2.95Å; R156-A158 PolarHBondContact O-N 3.48Å; R156-G159 PolarHBondContact O-N 3.3Å; R156-F161 HydrophobicContact CB-CB 4.25Å; R156-F161 HydrophobicContact CG-CB 3.51Å; R156-F161 HydrophobicContact CG-CD1 3.72Å; R156-F161 HydrophobicContact CG-CD2 4.09Å; R156-F161 HydrophobicContact CG-CG 3.49Å; R156-F161 VanDerWaalsContact CG-CG 3.49Å; R156-F161 VanDerWaalsContact NH1-CE2 3.34Å
157R95.5Very high94.8Very high162 Ų16255.5 Ų55.561%0.61128%0.284SS*.Hα-helixtrans-62-33.5176.9-71.1-167.4-58.5-107.6-6.1112.6E153 G159E153-R157 PolarHBondContact O-N 2.74Å; E153-R157 IonicContact OE1-CZ 3.36Å; E153-R157 IonicContact OE1-NH1 2.64Å; E153-R157 PolarHBondContact OE1-NH1 3.4Å; E153-R157 IonicContact OE2-CZ 3.87Å; E153-R157 IonicContact OE2-NH1 2.7Å; E153-R157 PolarHBondContact OE2-NH1 3.28Å; R157-G159 PolarHBondContact O-N 2.67Å
158A96Very high95.1Very high31 Ų3159 Ų5926%0.25629%0.294SS..THydrogen-bonded Turntrans-76.3-4.4174.400000113.4K31 M124 P154 F155 R156 M160K31-A158 PolarHBondContact NZ-O 2.83Å; M124-A158 HydrophobicContact CE-CB 3.56Å; P154-A158 WeakPolarHBondContact O-CB 3.24Å; P154-A158 PolarHBondContact O-N 2.88Å; F155-A158 CarbonylContact O-C 3.55Å; F155-A158 PolarHBondContact O-N 2.93Å; R156-A158 PolarHBondContact O-N 3.48Å; A158-M160 HydrophobicContact CB-CB 4.45Å; A158-M160 HydrophobicContact CB-CG 4.04Å; A158-M160 HydrophobicContact CB-SD 4Å; A158-M160 PolarHBondContact O-N 2.88Å
159G96.5Very high95.3Very high39 Ų3960.5 Ų60.540%0.40232%0.316SS..THydrogen-bonded Turntrans65.925.9-174.300000113.3F134 F155 R156 R157F134-G159 WeakPolarHBondContact CE1-O 3.17Å; F155-G159 PolarHBondContact O-N 3.04Å; F155-G159 VanDerWaalsContact O-N 3.16Å; R156-G159 PolarHBondContact O-N 3.3Å; R157-G159 PolarHBondContact O-N 2.67Å
160M97.6Very high95.5Very high7 Ų756.4 Ų56.43%0.03429%0.291CS..  trans-108.616.1-179-64.5175.572.300111.8M124 L127 I132 D133 F134 I135 F155 A158M124-M160 HydrophobicContact CE-SD 4.5Å; M124-M160 HydrophobicContact SD-SD 4.2Å; L127-M160 HydrophobicContact CD1-CE 3.87Å; I132-M160 WeakPolarHBondContact O-CE 3.29Å; D133-M160 WeakPolarHBondContact O-CE 3.35Å; F134-M160 CarbonylContact C-O 3.57Å; F134-M160 VanDerWaalsContact CA-O 3.23Å; F134-M160 WeakPolarHBondContact CA-O 3.14Å; I135-M160 PolarHBondContact N-O 3.49Å; F155-M160 PolarHBondContact O-N 2.89Å; A158-M160 HydrophobicContact CB-CB 4.45Å; A158-M160 HydrophobicContact CB-CG 4.04Å; A158-M160 HydrophobicContact CB-SD 4Å; A158-M160 PolarHBondContact O-N 2.88Å
161F97.9Very high95.7Very high19 Ų1956.9 Ų56.98%0.08330%0.296CS..EExtended strand (participates in β ladder)trans-107.7132.6-176-166-93.2000111.5I135 H137 D138 Y152 F155 R156 E163I135-F161 HydrophobicContact CG2-CD2 3.78Å; I135-F161 HydrophobicContact CG2-CE2 4.39Å; I135-F161 CarbonylContact O-C 3.59Å; I135-F161 WeakPolarHBondContact O-CA 3.49Å; H137-F161 HydrophobicContact CB-CE2 3.91Å; H137-F161 HydrophobicContact CB-CZ 3.82Å; D138-F161 WeakPolarHBondContact O-CZ 3.19Å; Y152-F161 HydrophobicContact CD1-CD2 4.43Å; Y152-F161 AromaticContact CD1-CE2 3.8Å; Y152-F161 HydrophobicContact CD1-CE2 3.8Å; Y152-F161 AromaticContact CG-CE2 3.84Å; Y152-F161 HydrophobicContact CG-CE2 3.84Å; F155-F161 HydrophobicContact CB-CD2 4.41Å; R156-F161 HydrophobicContact CB-CB 4.25Å; R156-F161 HydrophobicContact CG-CB 3.51Å; R156-F161 HydrophobicContact CG-CD1 3.72Å; R156-F161 HydrophobicContact CG-CD2 4.09Å; R156-F161 HydrophobicContact CG-CG 3.49Å; R156-F161 VanDerWaalsContact CG-CG 3.49Å; R156-F161 VanDerWaalsContact NH1-CE2 3.34Å; F161-E163 HydrophobicContact CD1-CG 3.87Å; F161-E163 HydrophobicContact CE1-CB 4.4Å; F161-E163 HydrophobicContact CE1-CG 3.59Å
162V98.2Very high95.8Very high6 Ų656.9 Ų56.94%0.03630%0.297CS..EExtended strand (participates in β ladder)trans-113.6119.8172.7169.40000108.2Y34 A71 F72 F134 I135 A136 H137Y34-V162 HydrophobicContact CE2-CG2 4.35Å; A71-V162 HydrophobicContact CB-CG1 3.66Å; A71-V162 HydrophobicContact CB-CG2 4.42Å; F72-V162 HydrophobicContact CE2-CG2 3.82Å; F72-V162 HydrophobicContact CZ-CG2 3.79Å; F134-V162 HydrophobicContact CB-CG2 3.82Å; F134-V162 HydrophobicContact CD1-CG2 4.16Å; F134-V162 HydrophobicContact CG-CG2 4.12Å; I135-V162 PolarHBondContact O-N 2.96Å; A136-V162 VanDerWaalsContact CA-O 3.25Å; A136-V162 WeakPolarHBondContact CA-O 3.48Å; A136-V162 HydrophobicContact CB-CB 4.05Å; A136-V162 HydrophobicContact CB-CG1 4.15Å; H137-V162 PolarHBondContact N-O 3.05Å
163E97.3Very high95.7Very high119 Ų11960.4 Ų60.456%0.55632%0.323SS*.EExtended strand (participates in β ladder)trans-77.4133.1178.1-75.7176.2-157.800111.5A139 F161A139-E163 HydrophobicContact CB-CB 4.48Å; A139-E163 HydrophobicContact CB-CG 3.88Å; F161-E163 HydrophobicContact CD1-CG 3.87Å; F161-E163 HydrophobicContact CE1-CB 4.4Å; F161-E163 HydrophobicContact CE1-CG 3.59Å
164T97.7Very high95.7Very high3 Ų360.3 Ų60.32%0.01833%0.325CS..EExtended strand (participates in β ladder)trans-115.1153.7169.963.70000110.4Q64 Q67 A136 H137 D138Q64-T164 HydrophobicContact CG-CG2 4.41Å; Q67-T164 HydrophobicContact CB-CG2 4.14Å; A136-T164 HydrophobicContact CB-CG2 4.14Å; H137-T164 PolarHBondContact O-N 3.46Å; H137-T164 PolarHBondContact O-OG1 3.27Å; H137-T164 VanDerWaalsContact O-OG1 3.11Å; D138-T164 WeakPolarHBondContact CA-O 3.29Å; D138-T164 PolarHBondContact N-OG1 3.41Å
165Q96.6Very high95.7Very high116 Ų11659.6 Ų59.654%0.54232%0.32SS..  trans-104.6136.5178.3-60-58.5-39.300110.5Q67Q67-Q165 PolarHBondContact NE2-O 3.07Å
166R94.6Very high95.6Very high153 Ų15362.2 Ų62.258%0.57733%0.333SS*.PPolyproline II helixtrans-67146.7174.2-64-178.765.883.83.8109.8D138D138-R166 HydrophobicContact CB-CG 4.3Å; D138-R166 IonicContact OD2-NH1 2.77Å
167T95.2Very high95.6Very high26 Ų2661.8 Ų61.816%0.1634%0.344CS..PPolyproline II helixtrans-90117.5171.4-63.10000109.2R63 V170R63-T167 WeakPolarHBondContact CB-OG1 3.43Å; R63-T167 WeakPolarHBondContact CD-OG1 3.32Å; T167-V170 HydrophobicContact CG2-CG1 3.77Å
168E93.8Very high95.5Very high167 Ų16761 Ų6178%0.7834%0.341SS*.THydrogen-bonded Turntrans-67.3148.5176.8-66.2-56.7137.700112.7V170E168-V170 VanDerWaalsContact C-N 3.31Å; E168-V170 PolarHBondContact O-N 3.36Å
169G93.5Very high95.4Very high74 Ų7463.2 Ų63.276%0.76335%0.348SS*.THydrogen-bonded Turntrans77.77.9175.500000115.7
170V95.4Very high95.3Very high14 Ų1466 Ų669%0.08536%0.356CS..  trans-141.9129.917266.60000111.4H58 T167 E168H58-V170 HydrophobicContact CB-CG2 4.13Å; T167-V170 HydrophobicContact CG2-CG1 3.77Å; E168-V170 VanDerWaalsContact C-N 3.31Å; E168-V170 PolarHBondContact O-N 3.36Å
171S95.3Very high95.1Very high24 Ų2474 Ų7417%0.16839%0.391CS..  trans-154.1160.6167.965.10000109.8S173 D174 V175S171-S173 PolarHBondContact O-N 3.37Å; S171-D174 PolarHBondContact N-OD2 2.77Å; S171-D174 PolarHBondContact O-N 3.11Å; S171-D174 VanDerWaalsContact O-N 3.07Å; S171-D174 PolarHBondContact OG-N 2.74Å; S171-D174 PolarHBondContact OG-OD2 3.3Å; S171-V175 WeakPolarHBondContact O-CG2 3.27Å; S171-V175 PolarHBondContact O-N 2.96Å
172T94.5Very high94.8Very high28 Ų2876.6 Ų76.617%0.17241%0.406CS..Hα-helixtrans-53.4-40.7168.9-50.10000110.6D55 L56 H58 D174 V175 I176D55-T172 HydrophobicContact CB-CG2 4.21Å; D55-T172 PolarHBondContact O-OG1 2.87Å; L56-T172 HydrophobicContact CB-CG2 4.27Å; L56-T172 HydrophobicContact CD1-CG2 4.12Å; L56-T172 HydrophobicContact CG-CG2 4.28Å; H58-T172 PolarHBondContact NE2-N 3.01Å; T172-D174 PolarHBondContact O-N 2.94Å; T172-V175 PolarHBondContact O-N 3.35Å; T172-I176 HydrophobicContact CG2-CD1 3.9Å; T172-I176 HydrophobicContact CG2-CG1 4.49Å; T172-I176 WeakPolarHBondContact O-CB 3.31Å; T172-I176 VanDerWaalsContact O-CG1 3.29Å; T172-I176 WeakPolarHBondContact O-CG1 3.13Å; T172-I176 PolarHBondContact O-N 3.36Å
173S92.8Very high94.5Very high87 Ų8781 Ų8161%0.60842%0.422SS*.Hα-helixtrans-59.8-41.9175.2-56.40000112.8S171 I176 A177S171-S173 PolarHBondContact O-N 3.37Å; S173-I176 PolarHBondContact O-N 3.12Å; S173-A177 VanDerWaalsContact O-CB 3.26Å; S173-A177 WeakPolarHBondContact O-CB 3.41Å; S173-A177 PolarHBondContact O-N 3.3Å
174D94.2Very high94.1Very high74 Ų7479 Ų7940%0.39642%0.416SS..Hα-helixtrans-70.8-34.9177.5-62.8-40.1000112.5S171 T172 R178S171-D174 PolarHBondContact N-OD2 2.77Å; S171-D174 PolarHBondContact O-N 3.11Å; S171-D174 VanDerWaalsContact O-N 3.07Å; S171-D174 PolarHBondContact OG-N 2.74Å; S171-D174 PolarHBondContact OG-OD2 3.3Å; T172-D174 PolarHBondContact O-N 2.94Å; D174-R178 WeakPolarHBondContact O-CG 3.5Å; D174-R178 PolarHBondContact O-N 3.41Å; D174-R178 VanDerWaalsContact O-N 3.12Å; D174-R178 PolarHBondContact O-NE 3.3Å
175V95.5Very high93.8Very high33 Ų3381.9 Ų81.920%0.244%0.436CS..Hα-helixtrans-63.6-48.8172.8176.90000109.7L56 S171 T172 A177 R178 I179L56-V175 HydrophobicContact CD1-CB 4.32Å; L56-V175 HydrophobicContact CD1-CG1 3.81Å; S171-V175 WeakPolarHBondContact O-CG2 3.27Å; S171-V175 PolarHBondContact O-N 2.96Å; T172-V175 PolarHBondContact O-N 3.35Å; V175-A177 PolarHBondContact O-N 3.26Å; V175-R178 PolarHBondContact O-N 3.03Å; V175-I179 HydrophobicContact CG1-CD1 4.17Å; V175-I179 WeakPolarHBondContact O-CG1 3.45Å; V175-I179 PolarHBondContact O-N 3.29Å; V175-I179 VanDerWaalsContact O-N 3.12Å
176I94.4Very high93.6Very high60 Ų6080 Ų8031%0.30842%0.424SS..Hα-helixtrans-61.3-44.8177.1-68.3168.9000110.6L56 V95 T172 S173 R178 I179 V180L56-I176 HydrophobicContact CD1-CG1 4.22Å; V95-I176 HydrophobicContact CG2-CD1 3.94Å; V95-I176 HydrophobicContact CG2-CG1 4.14Å; T172-I176 HydrophobicContact CG2-CD1 3.9Å; T172-I176 HydrophobicContact CG2-CG1 4.49Å; T172-I176 WeakPolarHBondContact O-CB 3.31Å; T172-I176 VanDerWaalsContact O-CG1 3.29Å; T172-I176 WeakPolarHBondContact O-CG1 3.13Å; T172-I176 PolarHBondContact O-N 3.36Å; S173-I176 PolarHBondContact O-N 3.12Å; I176-R178 VanDerWaalsContact C-N 3.28Å; I176-R178 PolarHBondContact O-N 3.08Å; I176-I179 WeakPolarHBondContact O-CB 3.29Å; I176-I179 PolarHBondContact O-N 2.97Å; I176-V180 HydrophobicContact CG2-CG2 4.02Å; I176-V180 WeakPolarHBondContact O-CG2 3.3Å; I176-V180 PolarHBondContact O-N 3.29Å
177A94.4Very high93.4Very high56 Ų5673 Ų7346%0.46340%0.398SS..Hα-helixtrans-59.6-38.2179.600000112.3S173 V175 K181S173-A177 VanDerWaalsContact O-CB 3.26Å; S173-A177 WeakPolarHBondContact O-CB 3.41Å; S173-A177 PolarHBondContact O-N 3.3Å; V175-A177 PolarHBondContact O-N 3.26Å; A177-K181 VanDerWaalsContact O-CB 3.29Å; A177-K181 WeakPolarHBondContact O-CB 3.31Å; A177-K181 PolarHBondContact O-N 3.33Å
178R94.9Very high93.1Very high145 Ų14575.1 Ų75.155%0.54740%0.404SS..Hα-helixtrans-66.4-40.1173.5-73.4-177.7-69.4176.1-0.8112.3D174 V175 I176 D182D174-R178 WeakPolarHBondContact O-CG 3.5Å; D174-R178 PolarHBondContact O-N 3.41Å; D174-R178 VanDerWaalsContact O-N 3.12Å; D174-R178 PolarHBondContact O-NE 3.3Å; V175-R178 PolarHBondContact O-N 3.03Å; I176-R178 VanDerWaalsContact C-N 3.28Å; I176-R178 PolarHBondContact O-N 3.08Å; R178-D182 PolarHBondContact O-N 3.42Å
179I93.8Very high92.9Very high78 Ų7872.4 Ų72.440%0.439%0.386SS..Hα-helixtrans-63.9-46.8175.8-65.6166000110.7V175 I176 K181 D182 Y183 Y186V175-I179 HydrophobicContact CG1-CD1 4.17Å; V175-I179 WeakPolarHBondContact O-CG1 3.45Å; V175-I179 PolarHBondContact O-N 3.29Å; V175-I179 VanDerWaalsContact O-N 3.12Å; I176-I179 WeakPolarHBondContact O-CB 3.29Å; I176-I179 PolarHBondContact O-N 2.97Å; I179-K181 PolarHBondContact O-N 3.03Å; I179-D182 CarbonylContact O-C 3.56Å; I179-D182 PolarHBondContact O-N 3.34Å; I179-Y183 WeakPolarHBondContact O-CA 3.36Å; I179-Y183 PolarHBondContact O-N 3.5Å; I179-Y186 HydrophobicContact CG2-CD2 4.31Å
180V92.9Very high92.9Very high97 Ų9770.5 Ų70.559%0.58836%0.359SS*.Hα-helixtrans-64-40.9-180172.10000111.2I176 D182 Y183I176-V180 HydrophobicContact CG2-CG2 4.02Å; I176-V180 WeakPolarHBondContact O-CG2 3.3Å; I176-V180 PolarHBondContact O-N 3.29Å; V180-D182 VanDerWaalsContact C-N 3.28Å; V180-D182 PolarHBondContact O-N 2.86Å; V180-Y183 VanDerWaalsContact O-CB 3.29Å; V180-Y183 WeakPolarHBondContact O-CB 3.25Å; V180-Y183 PolarHBondContact O-N 2.84Å
181K93.5Very high92.6Very high174 Ų17471.2 Ų71.276%0.75736%0.362SS*.Hα-helixtrans-57.7-40.4178-178.3-178.1175.5-1750112.6A177 I179A177-K181 VanDerWaalsContact O-CB 3.29Å; A177-K181 WeakPolarHBondContact O-CB 3.31Å; A177-K181 PolarHBondContact O-N 3.33Å; I179-K181 PolarHBondContact O-N 3.03Å
182D92.7Very high92.3Very high74 Ų7473.8 Ų73.840%0.39639%0.385SS..THydrogen-bonded Turntrans-106.222.6-177.6-61.4-45.6000112.3R178 I179 V180 D184 S185 Y186R178-D182 PolarHBondContact O-N 3.42Å; I179-D182 CarbonylContact O-C 3.56Å; I179-D182 PolarHBondContact O-N 3.34Å; V180-D182 VanDerWaalsContact C-N 3.28Å; V180-D182 PolarHBondContact O-N 2.86Å; D182-D184 PolarHBondContact O-N 3.09Å; D182-S185 VanDerWaalsContact O-CB 3.25Å; D182-S185 WeakPolarHBondContact O-CB 3.23Å; D182-S185 PolarHBondContact O-N 3.03Å; D182-Y186 HydrophobicContact CB-CD2 4.09Å; D182-Y186 HydrophobicContact CB-CE2 3.66Å; D182-Y186 VanDerWaalsContact O-CD2 3.23Å; D182-Y186 WeakPolarHBondContact O-CD2 3.4Å; D182-Y186 PolarHBondContact O-N 3.35Å; D182-Y186 VanDerWaalsContact O-N 3.09Å
183Y90.8Very high92.1Very high98 Ų9880.3 Ų80.338%0.38441%0.406SS..Hα-helixtrans-51.6-52.6-172.7173.9-100.3000113.2I179 V180 S185 Y186 V187I179-Y183 WeakPolarHBondContact O-CA 3.36Å; I179-Y183 PolarHBondContact O-N 3.5Å; V180-Y183 VanDerWaalsContact O-CB 3.29Å; V180-Y183 WeakPolarHBondContact O-CB 3.25Å; V180-Y183 PolarHBondContact O-N 2.84Å; Y183-S185 PolarHBondContact O-N 3.36Å; Y183-Y186 PolarHBondContact O-N 2.96Å; Y183-V187 HydrophobicContact CD1-CG2 4.07Å; Y183-V187 HydrophobicContact CD2-CG2 4.14Å; Y183-V187 HydrophobicContact CE1-CG2 3.63Å; Y183-V187 HydrophobicContact CE2-CG2 3.71Å; Y183-V187 HydrophobicContact CG-CG2 4.3Å; Y183-V187 VanDerWaalsContact CZ-CG2 3.43Å; Y183-V187 WeakPolarHBondContact O-CG2 3.41Å; Y183-V187 PolarHBondContact O-N 3.04Å
184D89.5Confident91.9Very high78 Ų7879.3 Ų79.342%0.41741%0.41SS..Hα-helixtrans-57.8-35.4180-71.511.2000112.3D182 R188 Y210D182-D184 PolarHBondContact O-N 3.09Å; D184-R188 WeakPolarHBondContact O-CG 3.4Å; D184-R188 PolarHBondContact O-N 3.2Å; D184-Y210 HydrophobicContact CB-CE1 4.12Å; D184-Y210 PolarHBondContact OD1-OH 2.85Å
185S91.1Very high91.7Very high63 Ų6381.8 Ų81.844%0.44142%0.415SS..Hα-helixtrans-67.3-45.3176.6-173.30000111.1D182 Y183 R189D182-S185 VanDerWaalsContact O-CB 3.25Å; D182-S185 WeakPolarHBondContact O-CB 3.23Å; D182-S185 PolarHBondContact O-N 3.03Å; Y183-S185 PolarHBondContact O-N 3.36Å; S185-R189 WeakPolarHBondContact O-CB 3.37Å; S185-R189 PolarHBondContact O-N 3.08Å; S185-R189 VanDerWaalsContact O-N 3.08Å
186Y92.1Very high91.4Very high77 Ų7782.8 Ų82.830%0.30242%0.423SS..Hα-helixtrans-65.9-39.7176.8-67.5-53000112.5I179 D182 Y183 R189 N190I179-Y186 HydrophobicContact CG2-CD2 4.31Å; D182-Y186 HydrophobicContact CB-CD2 4.09Å; D182-Y186 HydrophobicContact CB-CE2 3.66Å; D182-Y186 VanDerWaalsContact O-CD2 3.23Å; D182-Y186 WeakPolarHBondContact O-CD2 3.4Å; D182-Y186 PolarHBondContact O-N 3.35Å; D182-Y186 VanDerWaalsContact O-N 3.09Å; Y183-Y186 PolarHBondContact O-N 2.96Å; Y186-R189 VanDerWaalsContact CD1-NH2 3.26Å; Y186-R189 PolarHBondContact O-N 3.04Å; Y186-N190 WeakPolarHBondContact O-CB 3.36Å; Y186-N190 VanDerWaalsContact O-CG 3.26Å; Y186-N190 PolarHBondContact O-N 2.9Å
187V90.7Very high91Very high5 Ų580.3 Ų80.33%0.0341%0.411CS..Hα-helixtrans-60.5-53.5175.3168.90000110.7Y183 R189 N190 L191 V202 Y210Y183-V187 HydrophobicContact CD1-CG2 4.07Å; Y183-V187 HydrophobicContact CD2-CG2 4.14Å; Y183-V187 HydrophobicContact CE1-CG2 3.63Å; Y183-V187 HydrophobicContact CE2-CG2 3.71Å; Y183-V187 HydrophobicContact CG-CG2 4.3Å; Y183-V187 VanDerWaalsContact CZ-CG2 3.43Å; Y183-V187 WeakPolarHBondContact O-CG2 3.41Å; Y183-V187 PolarHBondContact O-N 3.04Å; V187-R189 VanDerWaalsContact C-N 3.28Å; V187-R189 PolarHBondContact O-N 2.67Å; V187-N190 PolarHBondContact O-N 3.31Å; V187-N190 VanDerWaalsContact O-N 3.11Å; V187-L191 HydrophobicContact CG1-CD1 3.86Å; V187-L191 HydrophobicContact CG1-CG 4.26Å; V187-L191 WeakPolarHBondContact O-CG 2.93Å; V187-L191 PolarHBondContact O-N 3.11Å; V187-V202 HydrophobicContact CB-CG2 4.45Å; V187-V202 HydrophobicContact CG1-CG1 4.34Å; V187-V202 HydrophobicContact CG1-CG2 3.51Å; V187-V202 HydrophobicContact CG2-CG2 4.03Å; V187-Y210 HydrophobicContact CB-CE2 4.17Å; V187-Y210 HydrophobicContact CG1-CD2 3.6Å; V187-Y210 HydrophobicContact CG1-CE2 3.35Å
188R88.4Confident90.6Very high72 Ų7286.5 Ų86.527%0.27243%0.428SS..Hα-helixtrans-55.7-44.9178.7-76.6-169.8-67.3158.5-1.2112.2D184 A192 Y210 D217D184-R188 WeakPolarHBondContact O-CG 3.4Å; D184-R188 PolarHBondContact O-N 3.2Å; R188-A192 WeakPolarHBondContact O-CB 3.44Å; R188-A192 PolarHBondContact O-N 3.25Å; R188-Y210 HydrophobicContact CG-CD1 3.24Å; R188-Y210 HydrophobicContact CG-CE1 3.87Å; R188-Y210 HydrophobicContact CG-CG 3.68Å; R188-D217 IonicContact NH1-OD2 3.39Å; R188-D217 PolarHBondContact NH1-OD2 3.44Å
189R90.9Very high90.1Very high109 Ų10985.9 Ų85.941%0.41143%0.431SS..Hα-helixtrans-63-42.4177.9-175.1-170.168.6-172.5-0.6112S185 Y186 V187 A192 R193S185-R189 WeakPolarHBondContact O-CB 3.37Å; S185-R189 PolarHBondContact O-N 3.08Å; S185-R189 VanDerWaalsContact O-N 3.08Å; Y186-R189 VanDerWaalsContact CD1-NH2 3.26Å; Y186-R189 PolarHBondContact O-N 3.04Å; V187-R189 VanDerWaalsContact C-N 3.28Å; V187-R189 PolarHBondContact O-N 2.67Å; R189-A192 PolarHBondContact O-N 3.45Å; R189-R193 WeakPolarHBondContact O-CG 3.34Å; R189-R193 PolarHBondContact O-N 3.36Å; R189-R193 VanDerWaalsContact O-N 3.11Å
190N92.2Very high89.7Confident35 Ų3583.9 Ų83.919%0.18742%0.421CS..Hα-helixtrans-72.3-38.3-179.2-72-2.4000111.5Y186 V187 A192 R193 G194 Y195 L200Y186-N190 WeakPolarHBondContact O-CB 3.36Å; Y186-N190 VanDerWaalsContact O-CG 3.26Å; Y186-N190 PolarHBondContact O-N 2.9Å; V187-N190 PolarHBondContact O-N 3.31Å; V187-N190 VanDerWaalsContact O-N 3.11Å; N190-A192 VanDerWaalsContact C-N 3.3Å; N190-A192 PolarHBondContact O-N 3.04Å; N190-R193 CarbonylContact O-C 3.52Å; N190-R193 WeakPolarHBondContact O-CA 3.48Å; N190-R193 WeakPolarHBondContact O-CB 3.4Å; N190-R193 PolarHBondContact O-N 3.25Å; N190-G194 PolarHBondContact O-N 2.85Å; N190-Y195 HydrophobicContact CB-CD2 3.84Å; N190-Y195 HydrophobicContact CB-CG 4.31Å; N190-Y195 WeakPolarHBondContact O-CD2 3.39Å; N190-Y195 PolarHBondContact O-N 3.18Å; N190-Y195 VanDerWaalsContact O-N 3.13Å; N190-L200 HydrophobicContact CB-CD1 3.88Å; N190-L200 HydrophobicContact CB-CD2 4.14Å
191L89.3Confident89.2Confident28 Ų2886.4 Ų86.415%0.14743%0.431CS..Hα-helixtrans-57.3-43.9170.2-69.7171.2000111.1V187 R193 G194 A197 L200 Y210V187-L191 HydrophobicContact CG1-CD1 3.86Å; V187-L191 HydrophobicContact CG1-CG 4.26Å; V187-L191 WeakPolarHBondContact O-CG 2.93Å; V187-L191 PolarHBondContact O-N 3.11Å; L191-R193 PolarHBondContact O-N 3.38Å; L191-G194 PolarHBondContact O-N 3.23Å; L191-G194 VanDerWaalsContact O-N 3.1Å; L191-A197 HydrophobicContact CD2-CB 4.26Å; L191-L200 HydrophobicContact CD2-CD1 3.94Å; L191-L200 HydrophobicContact CG-CD1 3.98Å; L191-Y210 HydrophobicContact CD1-CD2 3.83Å; L191-Y210 HydrophobicContact CD1-CG 4.2Å
192A88.6Confident88.7Confident79 Ų7978.7 Ų78.765%0.65340%0.398SS*.Hα-helixtrans-66.7-21.617600000113.9R188 R189 N190 G194R188-A192 WeakPolarHBondContact O-CB 3.44Å; R188-A192 PolarHBondContact O-N 3.25Å; R189-A192 PolarHBondContact O-N 3.45Å; N190-A192 VanDerWaalsContact C-N 3.3Å; N190-A192 PolarHBondContact O-N 3.04Å; A192-G194 VanDerWaalsContact C-N 3.31Å
193R91.4Very high88.2Confident164 Ų16477.5 Ų77.562%0.61940%0.404SS*.THydrogen-bonded Turntrans-85.9-1.2174.3-73.4172.7175.6-178.4-4.7113.4R189 N190 L191 Y195R189-R193 WeakPolarHBondContact O-CG 3.34Å; R189-R193 PolarHBondContact O-N 3.36Å; R189-R193 VanDerWaalsContact O-N 3.11Å; N190-R193 CarbonylContact O-C 3.52Å; N190-R193 WeakPolarHBondContact O-CA 3.48Å; N190-R193 WeakPolarHBondContact O-CB 3.4Å; N190-R193 PolarHBondContact O-N 3.25Å; L191-R193 PolarHBondContact O-N 3.38Å; R193-Y195 HydrophobicContact CB-CD2 4.22Å; R193-Y195 HydrophobicContact CB-CE2 4.39Å
194G89.4Confident87.6Confident67 Ų6779.5 Ų79.569%0.69141%0.412SS*.THydrogen-bonded Turntrans95.28.7177.200000115.4N190 L191 A192N190-G194 PolarHBondContact O-N 2.85Å; L191-G194 PolarHBondContact O-N 3.23Å; L191-G194 VanDerWaalsContact O-N 3.1Å; A192-G194 VanDerWaalsContact C-N 3.31Å
195Y88.8Confident87.1Confident126 Ų12684.2 Ų84.249%0.49443%0.429SS..  trans-70.1138.9167.6-69.3-89000109.7N190 R193N190-Y195 HydrophobicContact CB-CD2 3.84Å; N190-Y195 HydrophobicContact CB-CG 4.31Å; N190-Y195 WeakPolarHBondContact O-CD2 3.39Å; N190-Y195 PolarHBondContact O-N 3.18Å; N190-Y195 VanDerWaalsContact O-N 3.13Å; R193-Y195 HydrophobicContact CB-CD2 4.22Å; R193-Y195 HydrophobicContact CB-CE2 4.39Å
196S88.7Confident86.6Confident54 Ų5482.8 Ų82.838%0.37842%0.421SS..  trans-76.4154.2177.369.10000111.8K198 E199 L200S196-K198 PolarHBondContact O-N 2.87Å; S196-E199 WeakPolarHBondContact CB-OE2 3.48Å; S196-E199 PolarHBondContact N-OE2 3.41Å; S196-E199 PolarHBondContact O-N 3.11Å; S196-E199 WeakPolarHBondContact OG-CB 3.43Å; S196-E199 VanDerWaalsContact OG-CD 3.25Å; S196-E199 WeakPolarHBondContact OG-CG 3.49Å; S196-E199 PolarHBondContact OG-N 3.3Å; S196-E199 PolarHBondContact OG-OE2 3.4Å; S196-L200 WeakPolarHBondContact O-CG 3.46Å; S196-L200 PolarHBondContact O-N 3.13Å
197A86.1Confident86Confident7 Ų781 Ų816%0.05842%0.415CS..THydrogen-bonded Turntrans-62-34.6175.700000112.4L191 L200 N201 V202 E207L191-A197 HydrophobicContact CD2-CB 4.26Å; A197-L200 CarbonylContact O-C 3.59Å; A197-L200 PolarHBondContact O-N 3.29Å; A197-N201 PolarHBondContact O-N 3.11Å; A197-N201 VanDerWaalsContact O-N 3.11Å; A197-V202 HydrophobicContact CB-CB 4.21Å; A197-V202 PolarHBondContact O-N 3.31Å; A197-E207 HydrophobicContact CB-CB 3.86Å; A197-E207 VanDerWaalsContact CB-CD 3.46Å; A197-E207 HydrophobicContact CB-CG 3.72Å; A197-E207 WeakPolarHBondContact CB-OE2 3.34Å
198K86.7Confident85.5Confident186 Ų18686.2 Ų86.281%0.80944%0.437SS*.THydrogen-bonded Turntrans-62-45175.9-172.6176.5179.9176.70112.1S196 L200 N201S196-K198 PolarHBondContact O-N 2.87Å; K198-L200 VanDerWaalsContact C-N 3.26Å; K198-L200 PolarHBondContact O-N 3.02Å; K198-N201 PolarHBondContact O-N 2.97Å
199E84.7Confident85.3Confident132 Ų13288 Ų8862%0.61745%0.448SS*.THydrogen-bonded Turntrans-63.3-33.4176.1-73.1165.2134.400112.6S196 N201S196-E199 WeakPolarHBondContact CB-OE2 3.48Å; S196-E199 PolarHBondContact N-OE2 3.41Å; S196-E199 PolarHBondContact O-N 3.11Å; S196-E199 WeakPolarHBondContact OG-CB 3.43Å; S196-E199 VanDerWaalsContact OG-CD 3.25Å; S196-E199 WeakPolarHBondContact OG-CG 3.49Å; S196-E199 PolarHBondContact OG-N 3.3Å; S196-E199 PolarHBondContact OG-OE2 3.4Å; E199-N201 VanDerWaalsContact C-N 3.29Å
200L84.8Confident84.7Confident37 Ų3783.4 Ų83.419%0.19443%0.43CS..THydrogen-bonded Turntrans-85.70.4179.4-60.5177000113.3N190 L191 S196 A197 K198 V202N190-L200 HydrophobicContact CB-CD1 3.88Å; N190-L200 HydrophobicContact CB-CD2 4.14Å; L191-L200 HydrophobicContact CD2-CD1 3.94Å; L191-L200 HydrophobicContact CG-CD1 3.98Å; S196-L200 WeakPolarHBondContact O-CG 3.46Å; S196-L200 PolarHBondContact O-N 3.13Å; A197-L200 CarbonylContact O-C 3.59Å; A197-L200 PolarHBondContact O-N 3.29Å; K198-L200 VanDerWaalsContact C-N 3.26Å; K198-L200 PolarHBondContact O-N 3.02Å; L200-V202 HydrophobicContact CB-CB 4.48Å; L200-V202 HydrophobicContact CB-CG2 3.61Å; L200-V202 PolarHBondContact O-N 2.87Å
201N83.5Confident84.1Confident149 Ų14987.2 Ų87.280%0.79745%0.445SS*.THydrogen-bonded Turntrans50.835.4-169.4-78.8-38.1000113.2A197 K198 E199A197-N201 PolarHBondContact O-N 3.11Å; A197-N201 VanDerWaalsContact O-N 3.11Å; K198-N201 PolarHBondContact O-N 2.97Å; E199-N201 VanDerWaalsContact C-N 3.29Å
202V82Confident83.7Confident12 Ų1291.8 Ų91.87%0.07347%0.469CS..  trans-91.8117177.2179.40000107.6V187 A197 L200 A206 E207 Y210V187-V202 HydrophobicContact CB-CG2 4.45Å; V187-V202 HydrophobicContact CG1-CG1 4.34Å; V187-V202 HydrophobicContact CG1-CG2 3.51Å; V187-V202 HydrophobicContact CG2-CG2 4.03Å; A197-V202 HydrophobicContact CB-CB 4.21Å; A197-V202 PolarHBondContact O-N 3.31Å; L200-V202 HydrophobicContact CB-CB 4.48Å; L200-V202 HydrophobicContact CB-CG2 3.61Å; L200-V202 PolarHBondContact O-N 2.87Å; V202-A206 HydrophobicContact CG1-CB 3.54Å; V202-E207 HydrophobicContact CG1-CB 4.37Å; V202-Y210 HydrophobicContact CG1-CD2 4.11Å; V202-Y210 HydrophobicContact CG1-CE2 3.92Å
203G82.3Confident83.3Confident49 Ų4991.5 Ų91.551%0.50545%0.454SS..  trans-60.7153176.100000112.2F205 A206 E207G203-F205 VanDerWaalsContact C-N 3.26Å; G203-F205 PolarHBondContact O-N 3.14Å; G203-F205 VanDerWaalsContact O-N 3.11Å; G203-A206 WeakPolarHBondContact O-CB 3.47Å; G203-A206 PolarHBondContact O-N 3.33Å; G203-E207 PolarHBondContact O-N 3.27Å
204Y78.2Confident82.7Confident140 Ų14086.1 Ų86.155%0.54944%0.438SS..Hα-helixtrans-49-41.7-176-178.1-100.7000114.4E207 K208Y204-E207 PolarHBondContact O-N 2.9Å; Y204-K208 HydrophobicContact CD1-CD 4.29Å; Y204-K208 HydrophobicContact CE1-CD 3.62Å; Y204-K208 HydrophobicContact CE1-CG 4.39Å; Y204-K208 PolarHBondContact O-N 3.35Å; Y204-K208 WeakPolarHBondContact OH-CE 3.44Å; Y204-K208 PolarHBondContact OH-NZ 3.48Å
205F79.9Confident82.3Confident177 Ų17791.6 Ų91.678%0.77644%0.438SS*.Hα-helixtrans-67-37.9178.4-68.4-72.6000113.2G203 K209G203-F205 VanDerWaalsContact C-N 3.26Å; G203-F205 PolarHBondContact O-N 3.14Å; G203-F205 VanDerWaalsContact O-N 3.11Å; F205-K209 WeakPolarHBondContact O-CB 3.39Å; F205-K209 PolarHBondContact O-N 3.22Å
206A79.9Confident81.9Confident34 Ų3492.8 Ų92.828%0.28144%0.442SS..Hα-helixtrans-69.4-40.6176.400000110.3V202 G203 K209 Y210V202-A206 HydrophobicContact CG1-CB 3.54Å; G203-A206 WeakPolarHBondContact O-CB 3.47Å; G203-A206 PolarHBondContact O-N 3.33Å; A206-K209 WeakPolarHBondContact O-CB 3.45Å; A206-K209 PolarHBondContact O-N 2.77Å; A206-Y210 HydrophobicContact CB-CD2 4.49Å; A206-Y210 HydrophobicContact CB-CE2 4.02Å; A206-Y210 WeakPolarHBondContact O-CD2 3.39Å; A206-Y210 VanDerWaalsContact O-CG 3.24Å; A206-Y210 PolarHBondContact O-N 3.37Å
207E78.8Confident81.6Confident38 Ų3893.6 Ų93.618%0.17844%0.442CS..Hα-helixtrans-57.1-51173-173.8-167161.900111.8A197 V202 G203 Y204 K209 Y210 K211A197-E207 HydrophobicContact CB-CB 3.86Å; A197-E207 VanDerWaalsContact CB-CD 3.46Å; A197-E207 HydrophobicContact CB-CG 3.72Å; A197-E207 WeakPolarHBondContact CB-OE2 3.34Å; V202-E207 HydrophobicContact CG1-CB 4.37Å; G203-E207 PolarHBondContact O-N 3.27Å; Y204-E207 PolarHBondContact O-N 2.9Å; E207-K209 VanDerWaalsContact C-N 3.34Å; E207-K209 PolarHBondContact O-N 3.39Å; E207-Y210 PolarHBondContact O-N 2.93Å; E207-Y210 VanDerWaalsContact O-N 3.17Å; E207-K211 HydrophobicContact CG-CD 4.29Å; E207-K211 PolarHBondContact O-N 3.5Å; E207-K211 WeakPolarHBondContact OE1-CE 3.37Å; E207-K211 IonicContact OE1-NZ 2.65Å; E207-K211 PolarHBondContact OE1-NZ 2.85Å
208K80.7Confident81.4Confident115 Ų11596.3 Ų96.350%0.546%0.461SS..Hα-helixtrans-60.1-42.1177.4-83.6-170.1162.8178.20112.3Y204 Y210 K211 L212Y204-K208 HydrophobicContact CD1-CD 4.29Å; Y204-K208 HydrophobicContact CE1-CD 3.62Å; Y204-K208 HydrophobicContact CE1-CG 4.39Å; Y204-K208 PolarHBondContact O-N 3.35Å; Y204-K208 WeakPolarHBondContact OH-CE 3.44Å; Y204-K208 PolarHBondContact OH-NZ 3.48Å; K208-Y210 VanDerWaalsContact C-N 3.34Å; K208-Y210 PolarHBondContact O-N 3.32Å; K208-K211 PolarHBondContact O-N 3.31Å; K208-L212 WeakPolarHBondContact O-CB 3.3Å; K208-L212 PolarHBondContact O-N 3.18Å
209K83.4Confident81.2Confident111 Ų11192.2 Ų92.248%0.48345%0.447SS..Hα-helixtrans-58-46174.2180-173.1174.5-168.80111.1F205 A206 E207 L212 Q213F205-K209 WeakPolarHBondContact O-CB 3.39Å; F205-K209 PolarHBondContact O-N 3.22Å; A206-K209 WeakPolarHBondContact O-CB 3.45Å; A206-K209 PolarHBondContact O-N 2.77Å; E207-K209 VanDerWaalsContact C-N 3.34Å; E207-K209 PolarHBondContact O-N 3.39Å; K209-L212 PolarHBondContact O-N 3.41Å; K209-Q213 WeakPolarHBondContact O-CB 3.34Å; K209-Q213 WeakPolarHBondContact O-CG 3.37Å; K209-Q213 PolarHBondContact O-N 3.05Å
210Y79.7Confident81.1Confident11 Ų1189 Ų894%0.04343%0.434CS..Hα-helixtrans-67.3-42.1179.3-67.4-42.8000112.9D184 V187 R188 L191 V202 A206 E207 K208 L212 Q213 N214D184-Y210 HydrophobicContact CB-CE1 4.12Å; D184-Y210 PolarHBondContact OD1-OH 2.85Å; V187-Y210 HydrophobicContact CB-CE2 4.17Å; V187-Y210 HydrophobicContact CG1-CD2 3.6Å; V187-Y210 HydrophobicContact CG1-CE2 3.35Å; R188-Y210 HydrophobicContact CG-CD1 3.24Å; R188-Y210 HydrophobicContact CG-CE1 3.87Å; R188-Y210 HydrophobicContact CG-CG 3.68Å; L191-Y210 HydrophobicContact CD1-CD2 3.83Å; L191-Y210 HydrophobicContact CD1-CG 4.2Å; V202-Y210 HydrophobicContact CG1-CD2 4.11Å; V202-Y210 HydrophobicContact CG1-CE2 3.92Å; A206-Y210 HydrophobicContact CB-CD2 4.49Å; A206-Y210 HydrophobicContact CB-CE2 4.02Å; A206-Y210 WeakPolarHBondContact O-CD2 3.39Å; A206-Y210 VanDerWaalsContact O-CG 3.24Å; A206-Y210 PolarHBondContact O-N 3.37Å; E207-Y210 PolarHBondContact O-N 2.93Å; E207-Y210 VanDerWaalsContact O-N 3.17Å; K208-Y210 VanDerWaalsContact C-N 3.34Å; K208-Y210 PolarHBondContact O-N 3.32Å; Y210-L212 VanDerWaalsContact C-N 3.34Å; Y210-L212 PolarHBondContact O-N 3.47Å; Y210-Q213 PolarHBondContact O-N 2.83Å; Y210-N214 WeakPolarHBondContact O-CB 3.25Å; Y210-N214 VanDerWaalsContact O-CG 3.25Å; Y210-N214 PolarHBondContact O-N 2.84Å
211K79.5Confident81Confident115 Ų11593.4 Ų93.450%0.545%0.453SS..Hα-helixtrans-60.2-43.5174.2-76.9178.4168.2171.90111.4E207 K208 N214 R215E207-K211 HydrophobicContact CG-CD 4.29Å; E207-K211 PolarHBondContact O-N 3.5Å; E207-K211 WeakPolarHBondContact OE1-CE 3.37Å; E207-K211 IonicContact OE1-NZ 2.65Å; E207-K211 PolarHBondContact OE1-NZ 2.85Å; K208-K211 PolarHBondContact O-N 3.31Å; K211-N214 PolarHBondContact O-N 2.73Å; K211-R215 WeakPolarHBondContact O-CG 3.24Å; K211-R215 PolarHBondContact O-N 3.33Å
212L80.6Confident80.8Confident124 Ų12495.1 Ų95.165%0.64945%0.449SS*.Hα-helixtrans-65.4-42.6177.3-174.462.8000112.1K208 K209 Y210 R215 Y216K208-L212 WeakPolarHBondContact O-CB 3.3Å; K208-L212 PolarHBondContact O-N 3.18Å; K209-L212 PolarHBondContact O-N 3.41Å; Y210-L212 VanDerWaalsContact C-N 3.34Å; Y210-L212 PolarHBondContact O-N 3.47Å; L212-R215 PolarHBondContact O-N 3.4Å; L212-Y216 PolarHBondContact O-N 3.35Å
213Q80.5Confident80.8Confident73 Ų7395.1 Ų95.134%0.34145%0.451SS..Hα-helixtrans-63.5-43.3175.4-75.6179.6-21.800112.1K209 Y210 R215 Y216 D217K209-Q213 WeakPolarHBondContact O-CB 3.34Å; K209-Q213 WeakPolarHBondContact O-CG 3.37Å; K209-Q213 PolarHBondContact O-N 3.05Å; Y210-Q213 PolarHBondContact O-N 2.83Å; Q213-R215 VanDerWaalsContact C-N 3.31Å; Q213-R215 PolarHBondContact O-N 2.75Å; Q213-Y216 WeakPolarHBondContact O-CB 3.48Å; Q213-Y216 PolarHBondContact O-N 3.03Å; Q213-Y216 VanDerWaalsContact O-N 3.14Å; Q213-D217 PolarHBondContact O-N 2.8Å
214N79.4Confident80.7Confident52 Ų5299.6 Ų99.628%0.27846%0.457SS..Hα-helixtrans-63.3-36.9176.5-71.4-7.5000112Y210 K211 S218Y210-N214 WeakPolarHBondContact O-CB 3.25Å; Y210-N214 VanDerWaalsContact O-CG 3.25Å; Y210-N214 PolarHBondContact O-N 2.84Å; K211-N214 PolarHBondContact O-N 2.73Å; N214-S218 WeakPolarHBondContact O-CB 3.46Å; N214-S218 PolarHBondContact O-N 3.48Å; N214-S218 PolarHBondContact O-OG 3.34Å
215R80.7Confident80.8Confident182 Ų18298.2 Ų98.269%0.68746%0.456SS*.Hα-helixtrans-65.3-40.1172.2-74.3-178.6-179-167.80.3111.8K211 L212 Q213 S218 L219K211-R215 WeakPolarHBondContact O-CG 3.24Å; K211-R215 PolarHBondContact O-N 3.33Å; L212-R215 PolarHBondContact O-N 3.4Å; Q213-R215 VanDerWaalsContact C-N 3.31Å; Q213-R215 PolarHBondContact O-N 2.75Å; R215-S218 PolarHBondContact O-OG 3.24Å; R215-L219 WeakPolarHBondContact O-CB 3.46Å; R215-L219 VanDerWaalsContact O-CG 3.26Å; R215-L219 WeakPolarHBondContact O-CG 3.38Å; R215-L219 PolarHBondContact O-N 2.9Å
216Y80Confident81Confident150 Ų15093.7 Ų93.759%0.58844%0.435SS*.Hα-helixtrans-66.2-45.7177.1-177.3-101.1000112L212 Q213 S218 L219 I220L212-Y216 PolarHBondContact O-N 3.35Å; Q213-Y216 WeakPolarHBondContact O-CB 3.48Å; Q213-Y216 PolarHBondContact O-N 3.03Å; Q213-Y216 VanDerWaalsContact O-N 3.14Å; Y216-S218 VanDerWaalsContact C-N 3.32Å; Y216-S218 PolarHBondContact O-N 3.26Å; Y216-L219 PolarHBondContact O-N 3.38Å; Y216-I220 HydrophobicContact CD1-CD1 3.8Å; Y216-I220 HydrophobicContact CD1-CG1 4.49Å; Y216-I220 HydrophobicContact CE1-CD1 3.19Å; Y216-I220 HydrophobicContact CE1-CG1 4.16Å; Y216-I220 HydrophobicContact CE2-CD1 4.37Å; Y216-I220 PolarHBondContact O-N 3.15Å
217D81.8Confident80.8Confident71 Ų7198.6 Ų98.638%0.3845%0.451SS..Hα-helixtrans-60.6-42.6177.4-70.7-19.7000110.8R188 Q213 I220 E221R188-D217 IonicContact NH1-OD2 3.39Å; R188-D217 PolarHBondContact NH1-OD2 3.44Å; Q213-D217 PolarHBondContact O-N 2.8Å; D217-I220 PolarHBondContact O-N 2.95Å; D217-E221 PolarHBondContact O-N 3.35Å
218S82.5Confident80.7Confident65 Ų6599.7 Ų99.746%0.45546%0.463SS..Hα-helixtrans-69.1-34.2177.471.70000113.5N214 R215 Y216 E221 R222N214-S218 WeakPolarHBondContact O-CB 3.46Å; N214-S218 PolarHBondContact O-N 3.48Å; N214-S218 PolarHBondContact O-OG 3.34Å; R215-S218 PolarHBondContact O-OG 3.24Å; Y216-S218 VanDerWaalsContact C-N 3.32Å; Y216-S218 PolarHBondContact O-N 3.26Å; S218-E221 PolarHBondContact O-N 3.43Å; S218-R222 VanDerWaalsContact O-CB 3.26Å; S218-R222 WeakPolarHBondContact O-CB 3.08Å; S218-R222 PolarHBondContact O-N 2.9Å
219L82.6Confident80.7Confident99 Ų99100.8 Ų100.852%0.51847%0.468SS..Hα-helixtrans-65.9-39.1172.3-75.7172.2000111.9R215 Y216 G223R215-L219 WeakPolarHBondContact O-CB 3.46Å; R215-L219 VanDerWaalsContact O-CG 3.26Å; R215-L219 WeakPolarHBondContact O-CG 3.38Å; R215-L219 PolarHBondContact O-N 2.9Å; Y216-L219 PolarHBondContact O-N 3.38Å; L219-G223 PolarHBondContact O-N 3.21Å
220I82.7Confident80.6Confident65 Ų65101.8 Ų101.833%0.33347%0.468SS..Hα-helixtrans-65.4-45.7174.6-72.3-179.4000110.9Y216 D217 G223 K224Y216-I220 HydrophobicContact CD1-CD1 3.8Å; Y216-I220 HydrophobicContact CD1-CG1 4.49Å; Y216-I220 HydrophobicContact CE1-CD1 3.19Å; Y216-I220 HydrophobicContact CE1-CG1 4.16Å; Y216-I220 HydrophobicContact CE2-CD1 4.37Å; Y216-I220 PolarHBondContact O-N 3.15Å; D217-I220 PolarHBondContact O-N 2.95Å; I220-G223 PolarHBondContact O-N 2.93Å; I220-K224 HydrophobicContact CG2-CD 4.34Å; I220-K224 WeakPolarHBondContact O-CG 3.42Å; I220-K224 PolarHBondContact O-N 3.29Å
221E81.5Confident80.5Confident130 Ų130105.3 Ų105.361%0.60749%0.485SS*.Hα-helixtrans-62.6-46.7177.8-74.3-161.4149.400111.5D217 S218 G223 K224 E225D217-E221 PolarHBondContact O-N 3.35Å; S218-E221 PolarHBondContact O-N 3.43Å; E221-G223 VanDerWaalsContact C-N 3.26Å; E221-G223 PolarHBondContact O-N 3.11Å; E221-K224 PolarHBondContact O-N 3.35Å; E221-K224 VanDerWaalsContact O-N 3.14Å; E221-E225 PolarHBondContact O-N 3.03Å
222R79.3Confident80.4Confident184 Ų184104 Ų10469%0.69448%0.484SS*.Hα-helixtrans-61-37.4174.7-168.8174.7-179.592.7-5.7111.9S218 F226S218-R222 VanDerWaalsContact O-CB 3.26Å; S218-R222 WeakPolarHBondContact O-CB 3.08Å; S218-R222 PolarHBondContact O-N 2.9Å; R222-F226 VanDerWaalsContact O-CB 3.25Å; R222-F226 WeakPolarHBondContact O-CB 3.43Å; R222-F226 PolarHBondContact O-N 2.88Å
223G83.3Confident80.1Confident13 Ų13105.3 Ų105.313%0.13448%0.48CS..Hα-helixtrans-59.9-50.617200000111.7L219 I220 E221 E225 F226 F227L219-G223 PolarHBondContact O-N 3.21Å; I220-G223 PolarHBondContact O-N 2.93Å; E221-G223 VanDerWaalsContact C-N 3.26Å; E221-G223 PolarHBondContact O-N 3.11Å; G223-E225 PolarHBondContact O-N 3Å; G223-F226 WeakPolarHBondContact O-CB 3.48Å; G223-F226 PolarHBondContact O-N 2.75Å; G223-F227 WeakPolarHBondContact O-CB 3.43Å; G223-F227 WeakPolarHBondContact O-CD2 3.46Å; G223-F227 PolarHBondContact O-N 2.82Å
224K80Confident80Confident143 Ų143103.1 Ų103.162%0.62247%0.473SS*.Hα-helixtrans-60.6-44.1177.3-72.8174.3-177.9171.90112.4I220 E221 F226 F227 S228I220-K224 HydrophobicContact CG2-CD 4.34Å; I220-K224 WeakPolarHBondContact O-CG 3.42Å; I220-K224 PolarHBondContact O-N 3.29Å; E221-K224 PolarHBondContact O-N 3.35Å; E221-K224 VanDerWaalsContact O-N 3.14Å; K224-F226 VanDerWaalsContact C-N 3.33Å; K224-F226 PolarHBondContact O-N 3.47Å; K224-F227 PolarHBondContact O-N 3.17Å; K224-S228 WeakPolarHBondContact O-CB 3.17Å; K224-S228 PolarHBondContact O-N 2.92Å
225E80.8Confident79.7Confident111 Ų111107.5 Ų107.552%0.51949%0.485SS..Hα-helixtrans-61.9-42.3174.9-73-172.8179.600111.8E221 G223 S228 K229E221-E225 PolarHBondContact O-N 3.03Å; G223-E225 PolarHBondContact O-N 3Å; E225-S228 PolarHBondContact O-N 3.42Å; E225-K229 WeakPolarHBondContact O-CB 3.49Å; E225-K229 VanDerWaalsContact O-CG 3.28Å; E225-K229 WeakPolarHBondContact O-CG 3.41Å; E225-K229 PolarHBondContact O-N 3.3Å
226F82.8Confident79.4Confident81 Ų81105 Ų10536%0.35548%0.482SS..Hα-helixtrans-63.9-44176-173.1-82.8000111.2R222 G223 K224 K229 W230 P267R222-F226 VanDerWaalsContact O-CB 3.25Å; R222-F226 WeakPolarHBondContact O-CB 3.43Å; R222-F226 PolarHBondContact O-N 2.88Å; G223-F226 WeakPolarHBondContact O-CB 3.48Å; G223-F226 PolarHBondContact O-N 2.75Å; K224-F226 VanDerWaalsContact C-N 3.33Å; K224-F226 PolarHBondContact O-N 3.47Å; F226-K229 PolarHBondContact O-N 2.96Å; F226-W230 HydrophobicContact CE1-CB 4.43Å; F226-W230 WeakPolarHBondContact O-CB 3.26Å; F226-W230 PolarHBondContact O-N 3.48Å; F226-P267 HydrophobicContact CE1-CB 3.62Å; F226-P267 HydrophobicContact CE1-CG 4.08Å; F226-P267 HydrophobicContact CZ-CB 3.92Å
227F76.1Confident79.1Confident137 Ų137101.4 Ų101.460%0.60147%0.469SS*.Hα-helixtrans-63.1-42.2176-86.4-70.3000112.2G223 K224 W230 E231G223-F227 WeakPolarHBondContact O-CB 3.43Å; G223-F227 WeakPolarHBondContact O-CD2 3.46Å; G223-F227 PolarHBondContact O-N 2.82Å; K224-F227 PolarHBondContact O-N 3.17Å; F227-W230 PolarHBondContact O-N 2.96Å; F227-E231 WeakPolarHBondContact O-CB 3.11Å; F227-E231 PolarHBondContact O-N 3.43Å
228S77.3Confident78.6Confident62 Ų62102.4 Ų102.443%0.43447%0.473SS..Hα-helixtrans-63.7-47.2175-172.10000111.3K224 E225 W230 E231 D232K224-S228 WeakPolarHBondContact O-CB 3.17Å; K224-S228 PolarHBondContact O-N 2.92Å; E225-S228 PolarHBondContact O-N 3.42Å; S228-W230 VanDerWaalsContact C-N 3.26Å; S228-W230 PolarHBondContact O-N 3.34Å; S228-E231 PolarHBondContact O-N 3.41Å; S228-D232 PolarHBondContact O-N 3.42Å
229K81.2Confident78Confident138 Ų138103.2 Ų103.260%0.648%0.475SS*.Hα-helixtrans-60.9-37.7175.5-74.8171.6-177165.30111.8E225 F226 R233E225-K229 WeakPolarHBondContact O-CB 3.49Å; E225-K229 VanDerWaalsContact O-CG 3.28Å; E225-K229 WeakPolarHBondContact O-CG 3.41Å; E225-K229 PolarHBondContact O-N 3.3Å; F226-K229 PolarHBondContact O-N 2.96Å; K229-R233 VanDerWaalsContact O-CB 3.25Å; K229-R233 WeakPolarHBondContact O-CB 3.5Å; K229-R233 PolarHBondContact O-N 3.41Å; K229-R233 VanDerWaalsContact O-N 3.09Å
230W80.8Confident77.6Confident132 Ų132102.5 Ų102.550%0.547%0.472SS..Hα-helixtrans-69.3-42.1176-178.786.5000111.5F226 F227 S228 R233 S234F226-W230 HydrophobicContact CE1-CB 4.43Å; F226-W230 WeakPolarHBondContact O-CB 3.26Å; F226-W230 PolarHBondContact O-N 3.48Å; F227-W230 PolarHBondContact O-N 2.96Å; S228-W230 VanDerWaalsContact C-N 3.26Å; S228-W230 PolarHBondContact O-N 3.34Å; W230-R233 PolarHBondContact O-N 3.02Å; W230-S234 WeakPolarHBondContact O-CB 3.25Å; W230-S234 PolarHBondContact O-N 3.34Å; W230-S234 PolarHBondContact O-OG 3.29Å
231E76.9Confident77.2Confident85 Ų85104.3 Ų104.340%0.39748%0.478SS..Hα-helixtrans-61.2-49.5176.2-172.5179.1175.200110.9F227 S228 R233 S234 R235F227-E231 WeakPolarHBondContact O-CB 3.11Å; F227-E231 PolarHBondContact O-N 3.43Å; S228-E231 PolarHBondContact O-N 3.41Å; E231-R233 VanDerWaalsContact C-N 3.34Å; E231-R233 PolarHBondContact O-N 2.88Å; E231-S234 WeakPolarHBondContact CA-OG 3.26Å; E231-S234 PolarHBondContact O-N 3.1Å; E231-S234 PolarHBondContact O-OG 3.03Å; E231-R235 WeakPolarHBondContact O-CG 3.21Å; E231-R235 PolarHBondContact O-N 2.98Å; E231-R235 IonicContact OE1-CZ 2.67Å; E231-R235 VanDerWaalsContact OE1-CZ 3.29Å; E231-R235 IonicContact OE1-NE 3.45Å; E231-R235 PolarHBondContact OE1-NE 3.3Å; E231-R235 IonicContact OE1-NH2 3.36Å; E231-R235 PolarHBondContact OE1-NH2 2.86Å
232D77.8Confident76.5Confident87 Ų87103.1 Ų103.147%0.46548%0.475SS..Hα-helixtrans-58.4-46.3177.3-70.5-28.9000111.3S228 S234 R235 E236S228-D232 PolarHBondContact O-N 3.42Å; D232-S234 VanDerWaalsContact C-N 3.35Å; D232-S234 PolarHBondContact O-N 3.14Å; D232-R235 PolarHBondContact O-N 3.26Å; D232-E236 PolarHBondContact O-N 2.95Å
233R74.7Confident76Confident151 Ų15197.9 Ų97.957%0.5746%0.464SS*.Hα-helixtrans-68.8-33.1178.4-164.3160.6-177.8162.7-3.7112.7K229 W230 E231 F237K229-R233 VanDerWaalsContact O-CB 3.25Å; K229-R233 WeakPolarHBondContact O-CB 3.5Å; K229-R233 PolarHBondContact O-N 3.41Å; K229-R233 VanDerWaalsContact O-N 3.09Å; W230-R233 PolarHBondContact O-N 3.02Å; E231-R233 VanDerWaalsContact C-N 3.34Å; E231-R233 PolarHBondContact O-N 2.88Å; R233-F237 WeakPolarHBondContact O-CB 3.25Å; R233-F237 PolarHBondContact O-N 3.47Å
234S77.2Confident75Confident28 Ų2897.9 Ų97.920%0.19646%0.46CS..Hα-helixtrans-71-36.2174.978.10000111.7W230 E231 D232 F237 I238W230-S234 WeakPolarHBondContact O-CB 3.25Å; W230-S234 PolarHBondContact O-N 3.34Å; W230-S234 PolarHBondContact O-OG 3.29Å; E231-S234 WeakPolarHBondContact CA-OG 3.26Å; E231-S234 PolarHBondContact O-N 3.1Å; E231-S234 PolarHBondContact O-OG 3.03Å; D232-S234 VanDerWaalsContact C-N 3.35Å; D232-S234 PolarHBondContact O-N 3.14Å; S234-F237 CarbonylContact O-C 3.59Å; S234-F237 WeakPolarHBondContact O-CB 3.27Å; S234-F237 PolarHBondContact O-N 2.82Å; S234-I238 WeakPolarHBondContact O-CB 3.5Å; S234-I238 VanDerWaalsContact O-CG1 3.27Å; S234-I238 WeakPolarHBondContact O-CG1 3.46Å; S234-I238 PolarHBondContact O-N 2.89Å
235R72.8Confident74.4Confident143 Ų14395.7 Ų95.754%0.5445%0.451SS..Hα-helixtrans-65.5-44.7174-74.6177.3-179.5-171.71.7111E231 D232 F237 I238 V239E231-R235 WeakPolarHBondContact O-CG 3.21Å; E231-R235 PolarHBondContact O-N 2.98Å; E231-R235 IonicContact OE1-CZ 2.67Å; E231-R235 VanDerWaalsContact OE1-CZ 3.29Å; E231-R235 IonicContact OE1-NE 3.45Å; E231-R235 PolarHBondContact OE1-NE 3.3Å; E231-R235 IonicContact OE1-NH2 3.36Å; E231-R235 PolarHBondContact OE1-NH2 2.86Å; D232-R235 PolarHBondContact O-N 3.26Å; R235-F237 VanDerWaalsContact C-N 3.27Å; R235-F237 PolarHBondContact O-N 3.43Å; R235-I238 PolarHBondContact O-N 3.01Å; R235-V239 WeakPolarHBondContact O-CB 3.28Å; R235-V239 VanDerWaalsContact O-CG2 3.25Å; R235-V239 WeakPolarHBondContact O-CG2 3.37Å; R235-V239 PolarHBondContact O-N 2.79Å
236E75.7Confident73.4Confident130 Ų13096.6 Ų96.661%0.60746%0.456SS*.Hα-helixtrans-57.6-42.2171.2-73.9-173.8170.200111.6D232 V239 N240D232-E236 PolarHBondContact O-N 2.95Å; E236-V239 PolarHBondContact O-N 2.75Å; E236-N240 VanDerWaalsContact O-CB 3.29Å; E236-N240 WeakPolarHBondContact O-CB 3.18Å; E236-N240 PolarHBondContact O-N 2.97Å; E236-N240 PolarHBondContact O-ND2 2.9Å
237F73Confident72.3Confident75 Ų7599.1 Ų99.133%0.32948%0.48SS..Hα-helixtrans-66.4-45177.6-169.6-90.3000112.5R233 S234 R235 V239 N240 F241 L261 T264R233-F237 WeakPolarHBondContact O-CB 3.25Å; R233-F237 PolarHBondContact O-N 3.47Å; S234-F237 CarbonylContact O-C 3.59Å; S234-F237 WeakPolarHBondContact O-CB 3.27Å; S234-F237 PolarHBondContact O-N 2.82Å; R235-F237 VanDerWaalsContact C-N 3.27Å; R235-F237 PolarHBondContact O-N 3.43Å; F237-V239 VanDerWaalsContact C-N 3.34Å; F237-N240 PolarHBondContact O-N 2.79Å; F237-F241 WeakPolarHBondContact O-CB 3.21Å; F237-F241 PolarHBondContact O-N 3.21Å; F237-L261 HydrophobicContact CZ-CD2 3.98Å; F237-T264 HydrophobicContact CD2-CG2 4.18Å; F237-T264 HydrophobicContact CE2-CG2 3.67Å; F237-T264 HydrophobicContact CZ-CG2 4.18Å
238I72.1Confident71.3Confident91 Ų9199.4 Ų99.447%0.46749%0.488SS..Hα-helixtrans-63.5-40.8176.5-70.3166.4000110.1S234 R235 F241 L242S234-I238 WeakPolarHBondContact O-CB 3.5Å; S234-I238 VanDerWaalsContact O-CG1 3.27Å; S234-I238 WeakPolarHBondContact O-CG1 3.46Å; S234-I238 PolarHBondContact O-N 2.89Å; R235-I238 PolarHBondContact O-N 3.01Å; I238-F241 PolarHBondContact O-N 2.93Å; I238-L242 HydrophobicContact CG2-CD1 3.91Å; I238-L242 HydrophobicContact CG2-CG 4.21Å; I238-L242 VanDerWaalsContact O-CB 3.3Å; I238-L242 WeakPolarHBondContact O-CB 3.33Å; I238-L242 VanDerWaalsContact O-CG 3.24Å; I238-L242 WeakPolarHBondContact O-CG 3.18Å; I238-L242 PolarHBondContact O-N 3.47Å
239V69.9Low70.4Confident82 Ų8299.5 Ų99.550%0.49750%0.499SS..Hα-helixtrans-65.9-45.6175.21710000110.9R235 E236 F237 F241 L242 T243R235-V239 WeakPolarHBondContact O-CB 3.28Å; R235-V239 VanDerWaalsContact O-CG2 3.25Å; R235-V239 WeakPolarHBondContact O-CG2 3.37Å; R235-V239 PolarHBondContact O-N 2.79Å; E236-V239 PolarHBondContact O-N 2.75Å; F237-V239 VanDerWaalsContact C-N 3.34Å; V239-F241 VanDerWaalsContact C-N 3.26Å; V239-F241 PolarHBondContact O-N 3.4Å; V239-L242 PolarHBondContact O-N 3.09Å; V239-T243 HydrophobicContact CG1-CG2 4.36Å; V239-T243 WeakPolarHBondContact O-CG2 3.29Å; V239-T243 PolarHBondContact O-N 2.77Å; V239-T243 PolarHBondContact O-OG1 3.34Å
240N74.2Confident69.3Low84 Ų84100 Ų10045%0.44950%0.503SS..Hα-helixtrans-62-35174.7-73.5-24.8000112.3E236 F237 T243 L244E236-N240 VanDerWaalsContact O-CB 3.29Å; E236-N240 WeakPolarHBondContact O-CB 3.18Å; E236-N240 PolarHBondContact O-N 2.97Å; E236-N240 PolarHBondContact O-ND2 2.9Å; F237-N240 PolarHBondContact O-N 2.79Å; N240-T243 WeakPolarHBondContact CA-OG1 3.25Å; N240-T243 PolarHBondContact O-OG1 2.77Å; N240-L244 PolarHBondContact O-N 3.24Å
241F73.7Confident68.2Low104 Ų10499.1 Ų99.146%0.45651%0.507SS..Hα-helixtrans-70-46.5174179.9-94.1000110.9F237 I238 V239 T243 L244 F245F237-F241 WeakPolarHBondContact O-CB 3.21Å; F237-F241 PolarHBondContact O-N 3.21Å; I238-F241 PolarHBondContact O-N 2.93Å; V239-F241 VanDerWaalsContact C-N 3.26Å; V239-F241 PolarHBondContact O-N 3.4Å; F241-T243 PolarHBondContact O-N 3.03Å; F241-L244 WeakPolarHBondContact O-CA 2.95Å; F241-L244 WeakPolarHBondContact O-CB 3.44Å; F241-L244 PolarHBondContact O-N 2.85Å; F241-L244 VanDerWaalsContact O-N 3.09Å; F241-F245 HydrophobicContact CD1-CD2 4.26Å; F241-F245 HydrophobicContact CD1-CE2 4.22Å; F241-F245 HydrophobicContact CD2-CE2 4.19Å; F241-F245 AromaticContact CE1-CD2 3.97Å; F241-F245 HydrophobicContact CE1-CD2 3.97Å; F241-F245 AromaticContact CE1-CE2 3.66Å; F241-F245 HydrophobicContact CE1-CE2 3.66Å; F241-F245 AromaticContact CE2-CE2 3.64Å; F241-F245 HydrophobicContact CE2-CE2 3.64Å; F241-F245 HydrophobicContact CE2-CZ 4.43Å; F241-F245 HydrophobicContact CG-CE2 4.46Å; F241-F245 HydrophobicContact CZ-CD2 4.14Å; F241-F245 AromaticContact CZ-CE2 3.35Å; F241-F245 HydrophobicContact CZ-CE2 3.35Å; F241-F245 HydrophobicContact CZ-CZ 4.08Å; F241-F245 VanDerWaalsContact O-CD2 3.25Å; F241-F245 WeakPolarHBondContact O-CD2 3.23Å; F241-F245 PolarHBondContact O-N 3.19Å
242L66.7Low67.3Low104 Ų10496.3 Ų96.355%0.54550%0.499SS..Hα-helixtrans-64.8-37.8177-75.4176.1000112.3I238 V239 L244 F245I238-L242 HydrophobicContact CG2-CD1 3.91Å; I238-L242 HydrophobicContact CG2-CG 4.21Å; I238-L242 VanDerWaalsContact O-CB 3.3Å; I238-L242 WeakPolarHBondContact O-CB 3.33Å; I238-L242 VanDerWaalsContact O-CG 3.24Å; I238-L242 WeakPolarHBondContact O-CG 3.18Å; I238-L242 PolarHBondContact O-N 3.47Å; V239-L242 PolarHBondContact O-N 3.09Å; L242-L244 PolarHBondContact O-N 3.47Å; L242-F245 CarbonylContact O-C 3.07Å; L242-F245 WeakPolarHBondContact O-CA 3.42Å; L242-F245 PolarHBondContact O-N 3.09Å
243T68.3Low66.6Low74 Ų7497 Ų9745%0.45451%0.508SS..Hα-helixtrans-66.8-24.2173.2530000112.4V239 N240 F241 F245 Q246V239-T243 HydrophobicContact CG1-CG2 4.36Å; V239-T243 WeakPolarHBondContact O-CG2 3.29Å; V239-T243 PolarHBondContact O-N 2.77Å; V239-T243 PolarHBondContact O-OG1 3.34Å; N240-T243 WeakPolarHBondContact CA-OG1 3.25Å; N240-T243 PolarHBondContact O-OG1 2.77Å; F241-T243 PolarHBondContact O-N 3.03Å; T243-F245 PolarHBondContact O-N 2.97Å; T243-Q246 WeakPolarHBondContact O-CG 3.41Å
244L63.2Low65.7Low13 Ų1396.3 Ų96.37%0.06851%0.514CS..Hα-helixtrans-63.5-26.4168.4-141.3105.3000112.3N240 F241 L242 A252 F256 I257N240-L244 PolarHBondContact O-N 3.24Å; F241-L244 WeakPolarHBondContact O-CA 2.95Å; F241-L244 WeakPolarHBondContact O-CB 3.44Å; F241-L244 PolarHBondContact O-N 2.85Å; F241-L244 VanDerWaalsContact O-N 3.09Å; L242-L244 PolarHBondContact O-N 3.47Å; L244-A252 HydrophobicContact CD1-CB 4.44Å; L244-A252 HydrophobicContact CG-CB 4.16Å; L244-A252 PolarHBondContact O-N 3.49Å; L244-F256 HydrophobicContact CD1-CD1 3.6Å; L244-F256 HydrophobicContact CD1-CE1 3.8Å; L244-I257 HydrophobicContact CD1-CG1 4.25Å; L244-I257 HydrophobicContact CD2-CD1 4.04Å; L244-I257 HydrophobicContact CD2-CG1 3.99Å
245F67.5Low64.8Low97 Ų97102 Ų10243%0.42554%0.543SS..BIsolated β-bridgetrans-112.969.3176.3-63.7-87.3000109.9F241 L242 T243 L251F241-F245 HydrophobicContact CD1-CD2 4.26Å; F241-F245 HydrophobicContact CD1-CE2 4.22Å; F241-F245 HydrophobicContact CD2-CE2 4.19Å; F241-F245 AromaticContact CE1-CD2 3.97Å; F241-F245 HydrophobicContact CE1-CD2 3.97Å; F241-F245 AromaticContact CE1-CE2 3.66Å; F241-F245 HydrophobicContact CE1-CE2 3.66Å; F241-F245 AromaticContact CE2-CE2 3.64Å; F241-F245 HydrophobicContact CE2-CE2 3.64Å; F241-F245 HydrophobicContact CE2-CZ 4.43Å; F241-F245 HydrophobicContact CG-CE2 4.46Å; F241-F245 HydrophobicContact CZ-CD2 4.14Å; F241-F245 AromaticContact CZ-CE2 3.35Å; F241-F245 HydrophobicContact CZ-CE2 3.35Å; F241-F245 HydrophobicContact CZ-CZ 4.08Å; F241-F245 VanDerWaalsContact O-CD2 3.25Å; F241-F245 WeakPolarHBondContact O-CD2 3.23Å; F241-F245 PolarHBondContact O-N 3.19Å; L242-F245 CarbonylContact O-C 3.07Å; L242-F245 WeakPolarHBondContact O-CA 3.42Å; L242-F245 PolarHBondContact O-N 3.09Å; T243-F245 PolarHBondContact O-N 2.97Å; F245-L251 HydrophobicContact CD1-CD2 3.82Å; F245-L251 HydrophobicContact CE1-CD2 3.33Å; F245-L251 HydrophobicContact CZ-CD2 3.81Å
246Q58.7Low64.2Low131 Ų131100.7 Ų100.761%0.61254%0.541SS*.  trans-56.3156.4173.7-68.1-174.2-82.500111.5T243 D248 G249T243-Q246 WeakPolarHBondContact O-CG 3.41Å; Q246-D248 PolarHBondContact O-N 3.24Å; Q246-G249 PolarHBondContact O-N 3.45Å
247P59.4Low62.8Low134 Ų13496.8 Ų96.887%0.8752%0.524SS*.THydrogen-bonded Turntrans-53.4-21.3-176.4-26.333.9000115.3G249P247-G249 VanDerWaalsContact C-N 3.27Å; P247-G249 PolarHBondContact O-N 3.02Å
248D56Low61.9Low143 Ų143103 Ų10377%0.76555%0.545SS*.THydrogen-bonded Turntrans-87.39.6179.4-58.6-18000113.3Q246 Q250Q246-D248 PolarHBondContact O-N 3.24Å; D248-Q250 VanDerWaalsContact C-N 3.27Å; D248-Q250 PolarHBondContact O-N 3.38Å
249G57.5Low61Low64 Ų64100.8 Ų100.866%0.6655%0.545SS*.  trans71.713.3169.800000115.4Q246 P247Q246-G249 PolarHBondContact O-N 3.45Å; P247-G249 VanDerWaalsContact C-N 3.27Å; P247-G249 PolarHBondContact O-N 3.02Å
250Q59.7Low60.2Low148 Ų14898.5 Ų98.569%0.69253%0.534SS*.PPolyproline II helixtrans-93.8126.8178.8-61.7-16826.800111.5D248D248-Q250 VanDerWaalsContact C-N 3.27Å; D248-Q250 PolarHBondContact O-N 3.38Å
251L56.9Low59.1Low113 Ų11399.3 Ų99.359%0.59254%0.538SS*.BIsolated β-bridgetrans-73.1130.3174.6-67168000110.2F245F245-L251 HydrophobicContact CD1-CD2 3.82Å; F245-L251 HydrophobicContact CE1-CD2 3.33Å; F245-L251 HydrophobicContact CZ-CD2 3.81Å
252A58.4Low58.2Low26 Ų2698.9 Ų98.922%0.21555%0.548CS..PPolyproline II helixtrans-60.1149.9170.900000111.6L244 F256L244-A252 HydrophobicContact CD1-CB 4.44Å; L244-A252 HydrophobicContact CG-CB 4.16Å; L244-A252 PolarHBondContact O-N 3.49Å; A252-F256 HydrophobicContact CB-CB 4.5Å; A252-F256 HydrophobicContact CB-CD1 3.95Å; A252-F256 HydrophobicContact CB-CG 4.48Å
253P61.9Low57.2Low101 Ų101103.1 Ų103.166%0.65656%0.557SS**PPolyproline II helixtrans-55.3142.8-175.8-23.732000113.7N255 F256P253-N255 PolarHBondContact O-N 2.98Å; P253-F256 WeakPolarHBondContact O-CA 3.48Å; P253-F256 VanDerWaalsContact O-CB 3.23Å; P253-F256 WeakPolarHBondContact O-CB 3.06Å; P253-F256 PolarHBondContact O-N 3.39Å
254I56.9Low55.8Low138 Ų138103.9 Ų103.971%0.70856%0.562SS**Hα-helixtrans-49.7-33.3-175-66.1165.2000114.1F256 I257 R258I254-F256 VanDerWaalsContact C-N 3.26Å; I254-F256 PolarHBondContact O-N 2.65Å; I254-I257 PolarHBondContact O-N 3.18Å; I254-R258 PolarHBondContact O-N 3.39Å; I254-R258 VanDerWaalsContact O-N 3.16Å
255N58.8Low55.1Low148 Ų148108.2 Ų108.279%0.79159%0.59SS**Hα-helixtrans-64.2-30176.7-77.4-6.5000113P253P253-N255 PolarHBondContact O-N 2.98Å
256F59.8Low54.2Low115 Ų115108.4 Ų108.450%0.50460%0.604SS.*Hα-helixtrans-71.3-42.7173.2-170.2-101.5000111.3L244 A252 P253 I254 R258 G259 A260L244-F256 HydrophobicContact CD1-CD1 3.6Å; L244-F256 HydrophobicContact CD1-CE1 3.8Å; A252-F256 HydrophobicContact CB-CB 4.5Å; A252-F256 HydrophobicContact CB-CD1 3.95Å; A252-F256 HydrophobicContact CB-CG 4.48Å; P253-F256 WeakPolarHBondContact O-CA 3.48Å; P253-F256 VanDerWaalsContact O-CB 3.23Å; P253-F256 WeakPolarHBondContact O-CB 3.06Å; P253-F256 PolarHBondContact O-N 3.39Å; I254-F256 VanDerWaalsContact C-N 3.26Å; I254-F256 PolarHBondContact O-N 2.65Å; F256-R258 PolarHBondContact O-N 2.8Å; F256-G259 PolarHBondContact O-N 2.98Å; F256-A260 PolarHBondContact O-N 2.76Å
257I46.5Very low53.3Low47 Ų47105.7 Ų105.724%0.24160%0.598CS.*Hα-helixtrans-60.1-42.7-179.5-50.4-174.2000111.8L244 I254 G259 A260 L261L244-I257 HydrophobicContact CD1-CG1 4.25Å; L244-I257 HydrophobicContact CD2-CD1 4.04Å; L244-I257 HydrophobicContact CD2-CG1 3.99Å; I254-I257 PolarHBondContact O-N 3.18Å; I257-G259 VanDerWaalsContact C-N 3.29Å; I257-G259 PolarHBondContact O-N 3.06Å; I257-A260 PolarHBondContact O-N 2.9Å; I257-A260 VanDerWaalsContact O-N 3.16Å; I257-L261 HydrophobicContact CG2-CD1 3.75Å; I257-L261 HydrophobicContact CG2-CG 4.26Å; I257-L261 PolarHBondContact O-N 3Å; I257-L261 VanDerWaalsContact O-N 3.09Å
258R53.2Low52.5Low205 Ų205104.1 Ų104.177%0.77459%0.586SS**Hα-helixtrans-66.2-32.3-179.9-148.3176.9-173.2171.31.2112.4I254 F256 S262I254-R258 PolarHBondContact O-N 3.39Å; I254-R258 VanDerWaalsContact O-N 3.16Å; F256-R258 PolarHBondContact O-N 2.8Å; R258-S262 PolarHBondContact O-OG 3.45Å; R258-S262 VanDerWaalsContact O-OG 3.06Å
259G54.6Low51.6Low46 Ų46103.7 Ų103.747%0.47458%0.583SS.*Hα-helixtrans-68.1-35.5172.200000113.4F256 I257 S262F256-G259 PolarHBondContact O-N 2.98Å; I257-G259 VanDerWaalsContact C-N 3.29Å; I257-G259 PolarHBondContact O-N 3.06Å; G259-S262 PolarHBondContact O-OG 3.08Å
260A52.6Low50.8Low33 Ų33108.4 Ų108.427%0.27359%0.588SS.*Hα-helixtrans-77.4-39.8-178.600000113.9F256 I257F256-A260 PolarHBondContact O-N 2.76Å; I257-A260 PolarHBondContact O-N 2.9Å; I257-A260 VanDerWaalsContact O-N 3.16Å
261L51.3Low49.9Very low101 Ų101107.8 Ų107.853%0.52959%0.589SS.*Hα-helixtrans-79.9-18.3-174.3-67.5175.7000114.8F237 I257 R263F237-L261 HydrophobicContact CZ-CD2 3.98Å; I257-L261 HydrophobicContact CG2-CD1 3.75Å; I257-L261 HydrophobicContact CG2-CG 4.26Å; I257-L261 PolarHBondContact O-N 3Å; I257-L261 VanDerWaalsContact O-N 3.09Å; L261-R263 PolarHBondContact O-N 3.04Å
262S53.5Low49Very low95 Ų95107 Ų10766%0.66459%0.592SS**THydrogen-bonded Turntrans-78.84.9-174.850.10000114.9R258 G259R258-S262 PolarHBondContact O-OG 3.45Å; R258-S262 VanDerWaalsContact O-OG 3.06Å; G259-S262 PolarHBondContact O-OG 3.08Å
263R46.5Very low48Very low193 Ų193112.4 Ų112.473%0.72862%0.617SS**THydrogen-bonded Turntrans-115.120.6-172.8-74.5-171.9169.6-165.4-1.4115.6L261 P265L261-R263 PolarHBondContact O-N 3.04Å; R263-P265 WeakPolarHBondContact O-CD 3.19Å
264T39.3Very low46.7Very low91 Ų91113.7 Ų113.756%0.55862%0.619SS**  trans-105.397.9-176.459.20000113.4F237F237-T264 HydrophobicContact CD2-CG2 4.18Å; F237-T264 HydrophobicContact CE2-CG2 3.67Å; F237-T264 HydrophobicContact CZ-CG2 4.18Å
265P49.2Very low45.9Very low103 Ų103114.1 Ų114.167%0.66962%0.623SS**  trans-84.2131.8157.29.16.3000110.3R263R263-P265 WeakPolarHBondContact O-CD 3.19Å
266S48.6Very low44.8Very low102 Ų102113.3 Ų113.371%0.71362%0.618SS**  trans-67.9153.6169.6-61.20000111.2T268S266-T268 PolarHBondContact O-N 3.16Å; S266-T268 VanDerWaalsContact O-N 3.16Å
267P38.5Very low43.7Very low74 Ų74116.1 Ų116.148%0.48163%0.633SS.*  trans-62.5114.4176-21.634.2000111.8F226F226-P267 HydrophobicContact CE1-CB 3.62Å; F226-P267 HydrophobicContact CE1-CG 4.08Å; F226-P267 HydrophobicContact CZ-CB 3.92Å
268T42.5Very low43.2Very low100 Ų100122.2 Ų122.261%0.61366%0.66SS**  trans-106.8106.9163.3-29.40000107.1S266 E270S266-T268 PolarHBondContact O-N 3.16Å; S266-T268 VanDerWaalsContact O-N 3.16Å; T268-E270 HydrophobicContact CG2-CG 3.8Å; T268-E270 PolarHBondContact O-N 3.22Å
269L38.1Very low42.4Very low135 Ų135119.8 Ų119.871%0.70766%0.663SS**  trans-74.686.3161.6-80.1173000106.3L271L269-L271 PolarHBondContact O-N 3.09Å; L269-L271 VanDerWaalsContact O-N 3.08Å
270E39.3Very low41.5Very low162 Ų162124.1 Ų124.176%0.75768%0.675SS**  trans-70.9102170.8-69.5-177.6-17700107.6T268 S272T268-E270 HydrophobicContact CG2-CG 3.8Å; T268-E270 PolarHBondContact O-N 3.22Å; E270-S272 VanDerWaalsContact C-N 3.27Å; E270-S272 PolarHBondContact O-N 3.19Å
271L41.5Very low40.8Very low136 Ų136130 Ų13071%0.71270%0.702SS**  trans-64.395161.7-66168.4000105.8L269 D273L269-L271 PolarHBondContact O-N 3.09Å; L269-L271 VanDerWaalsContact O-N 3.08Å; L271-D273 PolarHBondContact O-N 3.16Å
272S37.9Very low39.8Very low96 Ų96131.7 Ų131.767%0.67171%0.712SS**  trans-71.991.816659.40000107E270 N274E270-S272 VanDerWaalsContact C-N 3.27Å; E270-S272 PolarHBondContact O-N 3.19Å; S272-N274 PolarHBondContact O-N 3.06Å
273D36.8Very low38.8Very low139 Ų139133.8 Ų133.874%0.74372%0.716SS**  trans-6673.4153.7-70.2-31.9000106.6L271 D275L271-D273 PolarHBondContact O-N 3.16Å; D273-D275 VanDerWaalsContact C-N 3.31Å; D273-D275 PolarHBondContact O-N 3.4Å
274N35.2Very low38.2Very low128 Ų128131.5 Ų131.568%0.68472%0.718SS**  trans-85.794160.1-81.111.3000105.6S272 D276S272-N274 PolarHBondContact O-N 3.06Å; N274-D276 PolarHBondContact O-N 3.4Å
275D40.9Very low37.8Very low147 Ų147134.2 Ų134.279%0.78673%0.729SS**  trans-40.3116.4143.9-62.2-44.4000108.3D273D273-D275 VanDerWaalsContact C-N 3.31Å; D273-D275 PolarHBondContact O-N 3.4Å
276D35.7Very low37.1Very low131 Ų131137.5 Ų137.570%0.70174%0.741SS**  trans-139.398.5159.9-79-43.4000106.9N274N274-D276 PolarHBondContact O-N 3.4Å
277E36.7Very low36.3Very low174 Ų174138.6 Ų138.681%0.81374%0.738SS**  trans64.7103.6139.6-58.5-175.9174.300117.4D279E277-D279 PolarHBondContact O-N 3.36Å; E277-D279 VanDerWaalsContact O-N 3.12Å
278E34.5Very low36Very low175 Ų175142.8 Ų142.882%0.81876%0.756SS**  trans-53105.8152.4-66.2174.9156.500108.1D280E278-D280 PolarHBondContact O-N 3.22Å
279D36.5Very low35.4Very low155 Ų155145.6 Ų145.683%0.82976%0.762SS**  trans-65.288.5155.1-79.5-38.5000106.6E277 D281E277-D279 PolarHBondContact O-N 3.36Å; E277-D279 VanDerWaalsContact O-N 3.12Å; D279-D281 PolarHBondContact O-N 3.16Å
280D37.1Very low35.2Very low136 Ų136150.1 Ų150.173%0.72777%0.771SS**  trans-61.985.2157.2-82-33.2000107.8E278E278-D280 PolarHBondContact O-N 3.22Å
281D36.8Very low34.8Very low157 Ų157146.4 Ų146.484%0.8476%0.763SS**  trans-117.3101157.9-98.3-28.7000109.1D279D279-D281 PolarHBondContact O-N 3.16Å
282D31.4Very low34.3Very low136 Ų136147.1 Ų147.173%0.72777%0.768SS**  trans-49.6157.2172.4-77.7-52.1000114.5
283N31.3Very low34.1Very low140 Ų140148 Ų14875%0.74978%0.781SS**  trans92.4103.6156.6-51.5-60.8000117.6
284N33.6Very low34Very low144 Ų144146.1 Ų146.177%0.7778%0.778SS**  158.5125.384.7-109.5-20.1000111.3D286N284-D286 PolarHBondContact O-N 2.89Å
285D32.4Very low33.7Very low149 Ų149145.7 Ų145.780%0.79779%0.786SS**  trans21.490.2149.7-89.1-28000118.2N287D285-N287 VanDerWaalsContact C-N 3.29Å; D285-N287 PolarHBondContact O-N 2.98Å
286D33.6Very low33.4Very low172 Ų172144.5 Ų144.592%0.9279%0.789SS**  trans-71.588.2150.8-84.4-33.1000109N284N284-D286 PolarHBondContact O-N 2.89Å
287N31.1Very low33.4Very low124 Ų124143.7 Ų143.766%0.66379%0.791SS**  trans-135.672.1160.9-144.7-0.2000110.5D285D285-N287 VanDerWaalsContact C-N 3.29Å; D285-N287 PolarHBondContact O-N 2.98Å
288L32.6Very low33.4Very low162 Ų162141.5 Ų141.585%0.84879%0.792SS**  trans-123.677.6159.9-74.6174000109.2Y290L288-Y290 PolarHBondContact O-N 3.12Å
289H30.1Very low33.5Very low160 Ų160141.9 Ų141.974%0.74180%0.798SS**  trans-66.689.2167.1-141-53.7000108.9S291H289-S291 PolarHBondContact O-N 3.32Å; H289-S291 VanDerWaalsContact O-N 3.15Å
290Y33.2Very low33.4Very low229 Ų229137.8 Ų137.890%0.89879%0.793SS**  trans-79.392.5164.7-112.3-91.3000108.1L288L288-Y290 PolarHBondContact O-N 3.12Å
291S32.3Very low33.1Very low85 Ų85139.9 Ų139.959%0.59480%0.798SS**  trans-98.6126.8167.244.60000109.7H289H289-S291 PolarHBondContact O-N 3.32Å; H289-S291 VanDerWaalsContact O-N 3.15Å
292D30.9Very low33.1Very low151 Ų151141.7 Ų141.781%0.80780%0.802SS**  trans4097.6156-67-27.5000120S294D292-S294 PolarHBondContact O-N 3.3Å
293A33Very low33.1Very low114 Ų114142.6 Ų142.694%0.94280%0.801SS**  trans-82.980.815200000110.2
294S34Very low33.3Very low99 Ų99142.5 Ų142.569%0.69281%0.81SS**  trans-147.585.4157.975.20000111.5D292D292-S294 PolarHBondContact O-N 3.3Å
295S30.8Very low33.2Very low120 Ų120143.8 Ų143.884%0.83981%0.811SS**  trans165.4103.6141.753.40000109.4
296S34.4Very low33.5Very low122 Ų122145.2 Ų145.285%0.85384%0.843SS**PPolyproline II helixtrans-103.1146.1159.9-66.60000109.3
297P35.5Very low33.5Very low114 Ų114143.9 Ų143.974%0.7484%0.84SS**PPolyproline II helixtrans-93.4172.9-154.67.513.6000113.2
298P36.4Very low33.6Very low128 Ų128144.9 Ų144.983%0.83185%0.849SS**PPolyproline II helixtrans-76.2128.7-173.930.5-32.8000111.9G300P298-G300 PolarHBondContact O-N 2.98Å
299L37.3Very low33.7Very low182 Ų182143.9 Ų143.995%0.95385%0.849SS**  trans-72.6115.8167.4-92.5148.2000109.1
300G32.5Very low33.9Very low69 Ų69143 Ų14371%0.71186%0.855SS**  trans-64.7151.6175.500000113P298P298-G300 PolarHBondContact O-N 2.98Å
301Q31.2Very low33.9Very low180 Ų180137.6 Ų137.684%0.84185%0.853SS**  trans-46.4133.8169.6-68.5159.8-29.400113.3
302E37.6Very low34.1Very low196 Ų196141.1 Ų141.192%0.91687%0.87SS**  trans-125.9127.9142.8-78.4-166.4141.200110.1
303H31.6Very low34.3Very low155 Ų155140.4 Ų140.472%0.71887%0.874SS**  trans-67.7133.8-180-86.9-86.9000111.7
304C34.9Very low34.4Very low137 Ų137142.5 Ų142.593%0.92687%0.869SS**  trans-120.7117.1144.5-88.40000107.9
305Q32Very low34.4Very low171 Ų171146.1 Ų146.180%0.79988%0.884SS**  trans-80148.3-178.1-67.2175.1-23.900111.2
306A38.8Very low34.7Very low179 Ų179148.5 Ų148.5100%1.47989%0.888SS**  trans41.10156.500000118.9

Retrieved 306 of 306 residues in 222.6 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).