A0A5K4F585_SCHMA Loading...

UDENN domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F585, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 842 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
1M34.1Very low71.7Confident214 Ų21460.5 Ų60.5100%1.05435%0.348SS*.  0119.50-73.2177.3164.300106.9
2Q27.6Very low73.8Confident202 Ų20255.6 Ų55.694%0.94432%0.32SS*.  trans-106.4128.3170.7-77.2173.2-27.700107.2
3G40.6Very low75.4Confident85 Ų8551.3 Ų51.388%0.87630%0.295SS*.SBendtrans108.95.3-178.500000116.7
4S53.7Low76.7Confident39 Ų3947.8 Ų47.827%0.27328%0.276SS..SBendtrans-108118.5173.154.20000110.4S6S4-S6 PolarHBondContact O-N 3.49Å
5N75.1Confident77.7Confident95 Ų9549.4 Ų49.451%0.50828%0.278SS..  trans-52.8102.4-178.2-63.32.9000111.7I7 R113N5-I7 PolarHBondContact O-N 3.49Å; N5-I7 VanDerWaalsContact O-N 3.15Å; N5-R113 PolarHBondContact O-NH1 3.29Å
6S85.7Confident78.3Confident8 Ų848.4 Ų48.46%0.05627%0.271CS..SBendtrans-60.7-32.5-173.4-56.60000112.4S4 R113 D154 L157S4-S6 PolarHBondContact O-N 3.49Å; S6-R113 PolarHBondContact O-N 3.49Å; S6-R113 VanDerWaalsContact O-N 3.11Å; S6-D154 WeakPolarHBondContact CB-OD1 3.37Å; S6-D154 PolarHBondContact OG-OD1 3.18Å; S6-L157 WeakPolarHBondContact OG-CD1 3.3Å
7I92.7Very high78.4Confident0 Ų048.8 Ų48.80%027%0.27CS..EExtended strand (participates in β ladder)trans-100.7127.8169.4-54-175.3000109.1N5 V110 L111 Y146 L149 V153N5-I7 PolarHBondContact O-N 3.49Å; N5-I7 VanDerWaalsContact O-N 3.15Å; I7-V110 HydrophobicContact CD1-CG1 4.49Å; I7-V110 HydrophobicContact CG2-CG1 3.77Å; I7-L111 WeakPolarHBondContact CG2-O 3.19Å; I7-Y146 HydrophobicContact CB-CE2 4.02Å; I7-Y146 HydrophobicContact CG2-CD2 4.13Å; I7-Y146 HydrophobicContact CG2-CE2 3.71Å; I7-Y146 PolarHBondContact O-OH 3.37Å; I7-L149 HydrophobicContact CD1-CB 3.95Å; I7-L149 HydrophobicContact CD1-CD2 3.7Å; I7-L149 HydrophobicContact CD1-CG 3.52Å; I7-V153 HydrophobicContact CD1-CB 4.45Å; I7-V153 HydrophobicContact CD1-CG2 3.98Å; I7-V153 HydrophobicContact CG1-CB 4.43Å; I7-V153 HydrophobicContact CG1-CG2 4.24Å
8L92.5Very high78.7Confident21 Ų2157.8 Ų57.811%0.1130%0.299CS..EExtended strand (participates in β ladder)trans-77.3-49.5178.1-65.9169.3000111.4V78 L111 R113L8-V78 HydrophobicContact CD1-CB 4.29Å; L8-V78 HydrophobicContact CD1-CG1 3.67Å; L8-V78 HydrophobicContact CD1-CG2 3.58Å; L8-L111 HydrophobicContact CB-CB 4.14Å; L8-L111 WeakPolarHBondContact CB-O 3.36Å; L8-L111 PolarHBondContact N-O 2.95Å; L8-R113 HydrophobicContact CD1-CG 4.23Å; L8-R113 HydrophobicContact CD2-CG 3.88Å; L8-R113 VanDerWaalsContact CD2-CZ 3.41Å; L8-R113 HydrophobicContact CG-CG 3.97Å
9S93.9Very high79Confident0 Ų062.5 Ų62.50%032%0.317CS..EExtended strand (participates in β ladder)trans-160.7151.4-178.161.40000112.6Y27 L111S9-Y27 CarbonylContact C-O 3.55Å; S9-Y27 WeakPolarHBondContact CA-O 3.48Å; S9-L111 PolarHBondContact O-N 3.39Å
10L96.2Very high79.5Confident1 Ų160.6 Ų60.61%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-109.7125.6165.9-172.170.2000108.6Y27 L108 V109 V110 L124 L142 Y146L10-Y27 PolarHBondContact N-O 2.76Å; L10-Y27 PolarHBondContact O-N 3.09Å; L10-L108 HydrophobicContact CD1-CD1 3.9Å; L10-L108 HydrophobicContact CD1-CD2 4.21Å; L10-L108 HydrophobicContact CD1-CG 3.83Å; L10-L108 HydrophobicContact CD2-CD1 4.29Å; L10-L108 HydrophobicContact CG-CD1 3.9Å; L10-L108 HydrophobicContact CG-CG 4.38Å; L10-V109 CarbonylContact C-O 3.44Å; L10-V109 WeakPolarHBondContact CA-O 3.45Å; L10-V110 HydrophobicContact CD1-CG2 3.58Å; L10-L124 HydrophobicContact CD1-CD1 3.84Å; L10-L142 HydrophobicContact CD2-CD1 3.58Å; L10-L142 HydrophobicContact CD2-CG 4.03Å; L10-L142 WeakPolarHBondContact CD2-O 3.35Å; L10-L142 HydrophobicContact CG-CD1 3.78Å; L10-L142 HydrophobicContact CG-CG 4.34Å; L10-Y146 HydrophobicContact CB-CD2 4.01Å
11I96.6Very high80.1Confident0 Ų059 Ų590%031%0.308CS..EExtended strand (participates in β ladder)trans-126.7129.1-171.9-58.9164.3000108.8I13 V23 L25 V26 L30 L40 L47 V109 L111I11-I13 HydrophobicContact CG2-CD1 3.76Å; I11-I13 HydrophobicContact CG2-CG1 4Å; I11-V23 HydrophobicContact CG2-CG1 3.97Å; I11-L25 WeakPolarHBondContact CA-O 3.31Å; I11-V26 HydrophobicContact CG1-CG1 4.19Å; I11-V26 HydrophobicContact CG1-CG2 4.35Å; I11-V26 HydrophobicContact CG2-CG2 4.21Å; I11-L30 HydrophobicContact CD1-CD1 4.34Å; I11-L40 HydrophobicContact CD1-CD2 4.08Å; I11-L47 HydrophobicContact CD1-CD1 3.77Å; I11-L47 HydrophobicContact CD1-CD2 4.25Å; I11-V109 HydrophobicContact CB-CB 4.26Å; I11-V109 PolarHBondContact N-O 3.02Å; I11-V109 PolarHBondContact O-N 2.78Å; I11-L111 HydrophobicContact CD1-CD1 4.11Å; I11-L111 HydrophobicContact CD1-CG 4.34Å
12L96.5Very high82.9Confident2 Ų251.2 Ų51.21%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-97.2125.6171.6-176.267.6000109.7E24 L25 K106 L108 F137L12-E24 HydrophobicContact CD2-CB 4.2Å; L12-E24 VanDerWaalsContact CD2-OE2 3.28Å; L12-E24 WeakPolarHBondContact CD2-OE2 3.44Å; L12-E24 HydrophobicContact CG-CB 4.3Å; L12-E24 PolarHBondContact O-N 2.7Å; L12-L25 HydrophobicContact CB-CB 4.1Å; L12-L25 HydrophobicContact CD2-CD1 4.08Å; L12-L25 HydrophobicContact CD2-CG 4.45Å; L12-L25 PolarHBondContact N-O 2.99Å; L12-L25 PolarHBondContact O-N 3.07Å; L12-K106 HydrophobicContact CD1-CB 4.36Å; L12-K106 HydrophobicContact CD1-CD 4.36Å; L12-L108 HydrophobicContact CD1-CD1 4.27Å; L12-F137 HydrophobicContact CD1-CD1 3.82Å; L12-F137 HydrophobicContact CD1-CE1 3.94Å; L12-F137 HydrophobicContact CD2-CB 3.83Å; L12-F137 HydrophobicContact CD2-CD1 3.55Å; L12-F137 HydrophobicContact CD2-CE1 4.46Å; L12-F137 HydrophobicContact CD2-CG 3.97Å; L12-F137 HydrophobicContact CG-CD1 4.36Å
13I95.7Very high86.1Confident0 Ų042.5 Ų42.50%023%0.233CC..EExtended strand (participates in β ladder)trans-122126.6177.5-78.2147.5000109.9I11 V22 V23 L47 P48 A51 I52 K106 S107 V109I11-I13 HydrophobicContact CG2-CD1 3.76Å; I11-I13 HydrophobicContact CG2-CG1 4Å; I13-V22 CarbonylContact C-O 3.57Å; I13-V22 VanDerWaalsContact CA-O 3.29Å; I13-V22 WeakPolarHBondContact CA-O 3.4Å; I13-V23 HydrophobicContact CD1-CG2 4.47Å; I13-V23 HydrophobicContact CG1-CB 4.46Å; I13-V23 HydrophobicContact CG1-CG2 4.04Å; I13-L47 HydrophobicContact CD1-CD2 3.36Å; I13-P48 HydrophobicContact CD1-CB 4.49Å; I13-P48 HydrophobicContact CD1-CG 4.48Å; I13-P48 HydrophobicContact CG2-CB 4.39Å; I13-A51 HydrophobicContact CB-CB 4.37Å; I13-A51 HydrophobicContact CD1-CB 3.67Å; I13-A51 HydrophobicContact CG2-CB 4.22Å; I13-I52 HydrophobicContact CG2-CD1 4.02Å; I13-I52 HydrophobicContact CG2-CG1 4.24Å; I13-K106 CarbonylContact O-C 3.48Å; I13-K106 VanDerWaalsContact O-CA 3.27Å; I13-K106 WeakPolarHBondContact O-CA 3.27Å; I13-S107 PolarHBondContact N-O 3.24Å; I13-S107 PolarHBondContact O-N 3.47Å; I13-V109 HydrophobicContact CD1-CG2 3.88Å
14G93.3Very high88.6Confident2 Ų241.8 Ų41.82%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-102.5160.3173.700000112.2S21 V22 E24G14-S21 CarbonylContact O-C 3.53Å; G14-S21 WeakPolarHBondContact O-CA 3.36Å; G14-V22 PolarHBondContact N-O 3.03Å; G14-V22 PolarHBondContact O-N 3.46Å; G14-E24 WeakPolarHBondContact CA-OE1 3.29Å
15F91.5Very high90.5Very high72 Ų7241.9 Ų41.932%0.31620%0.204SC..EExtended strand (participates in β ladder)trans-99.9116.2169.7-174.1-92.8000111.5I52 Q105F15-I52 HydrophobicContact CB-CD1 3.98Å; F15-Q105 HydrophobicContact CB-CB 3.88Å; F15-Q105 PolarHBondContact N-O 3.43Å
16H87.2Confident91.4Very high34 Ų3438 Ų3816%0.15718%0.184CC..EExtended strand (participates in β ladder)trans-103.4119173.6-179.6-85.4000110.8R18 K19 G20 V22H16-R18 PolarHBondContact ND1-N 3.03Å; H16-R18 PolarHBondContact O-N 3.18Å; H16-K19 HydrophobicContact CB-CB 4.16Å; H16-K19 WeakPolarHBondContact ND1-CG 3.5Å; H16-K19 PolarHBondContact ND1-N 2.97Å; H16-K19 PolarHBondContact O-N 3.42Å; H16-G20 PolarHBondContact N-O 3.26Å; H16-G20 PolarHBondContact O-N 3.46Å; H16-V22 HydrophobicContact CB-CG2 4.17Å
17H80.1Confident91.8Very high55 Ų5540.5 Ų40.526%0.25519%0.192SC..THydrogen-bonded Turntrans-52.7-19.4-170.370.7-72.7000117.5T100H17-T100 PolarHBondContact CD2-OG1 2.96Å; H17-T100 VanDerWaalsContact CD2-OG1 3.28Å; H17-T100 PolarHBondContact CE1-OG1 3.16Å; H17-T100 VanDerWaalsContact CG-OG1 3.26Å; H17-T100 PolarHBondContact ND1-OG1 3.17Å; H17-T100 VanDerWaalsContact ND1-OG1 3.13Å; H17-T100 PolarHBondContact NE2-OG1 3.44Å
18R83.5Confident91.7Very high211 Ų21142.6 Ų42.680%0.79621%0.206SC*.THydrogen-bonded Turntrans-106.9-18.7172.8-52.2-176.6-174.7-175.9-3.1115.3H16H16-R18 PolarHBondContact ND1-N 3.03Å; H16-R18 PolarHBondContact O-N 3.18Å
19K85.2Confident91.3Very high146 Ų14644.9 Ų44.964%0.63522%0.223SC*.THydrogen-bonded Turntrans-107.6-15.4-172.8-64.9174.6-178.9173.60112.4H16 V22H16-K19 HydrophobicContact CB-CB 4.16Å; H16-K19 WeakPolarHBondContact ND1-CG 3.5Å; H16-K19 PolarHBondContact ND1-N 2.97Å; H16-K19 PolarHBondContact O-N 3.42Å; K19-V22 HydrophobicContact CB-CG2 3.74Å; K19-V22 HydrophobicContact CD-CG2 4.2Å
20G89.2Confident90.6Very high25 Ų2546.8 Ų46.826%0.25823%0.234SC..EExtended strand (participates in β ladder)trans82.1-149.7-169.200000111.2H16H16-G20 PolarHBondContact N-O 3.26Å; H16-G20 PolarHBondContact O-N 3.46Å
21S91.9Very high89.2Confident28 Ų2848 Ų4820%0.19624%0.242CC..EExtended strand (participates in β ladder)trans-70.7131.5173.6-51.80000111.1G14 P48G14-S21 CarbonylContact O-C 3.53Å; G14-S21 WeakPolarHBondContact O-CA 3.36Å; S21-P48 WeakPolarHBondContact CB-O 3.33Å; S21-P48 PolarHBondContact OG-O 3.38Å
22V92.7Very high87.4Confident50 Ų5058.7 Ų58.730%0.30328%0.284SS..EExtended strand (participates in β ladder)trans-131.9138.7-177.3-177.70000109.3I13 G14 H16 K19I13-V22 CarbonylContact C-O 3.57Å; I13-V22 VanDerWaalsContact CA-O 3.29Å; I13-V22 WeakPolarHBondContact CA-O 3.4Å; G14-V22 PolarHBondContact N-O 3.03Å; G14-V22 PolarHBondContact O-N 3.46Å; H16-V22 HydrophobicContact CB-CG2 4.17Å; K19-V22 HydrophobicContact CB-CG2 3.74Å; K19-V22 HydrophobicContact CD-CG2 4.2Å
23V94.5Very high85.6Confident18 Ų1866.5 Ų66.511%0.10933%0.326CS..EExtended strand (participates in β ladder)trans-70.9127.4172.5-176.50000109.1I11 I13 V26 L40 P48I11-V23 HydrophobicContact CG2-CG1 3.97Å; I13-V23 HydrophobicContact CD1-CG2 4.47Å; I13-V23 HydrophobicContact CG1-CB 4.46Å; I13-V23 HydrophobicContact CG1-CG2 4.04Å; V23-V26 HydrophobicContact CG1-CG2 3.51Å; V23-L40 HydrophobicContact CG2-CD1 3.73Å; V23-L40 HydrophobicContact CG2-CG 4Å; V23-P48 HydrophobicContact CG2-CG 3.8Å
24E93Very high83.9Confident71 Ų7168.6 Ų68.633%0.33234%0.341SS..EExtended strand (participates in β ladder)trans-102.3-42.6177.9-64.8-177.3173.600111.9L12 G14 K106L12-E24 HydrophobicContact CD2-CB 4.2Å; L12-E24 VanDerWaalsContact CD2-OE2 3.28Å; L12-E24 WeakPolarHBondContact CD2-OE2 3.44Å; L12-E24 HydrophobicContact CG-CB 4.3Å; L12-E24 PolarHBondContact O-N 2.7Å; G14-E24 WeakPolarHBondContact CA-OE1 3.29Å; E24-K106 IonicContact OE1-NZ 3.56Å; E24-K106 PolarHBondContact OE1-NZ 3.38Å; E24-K106 IonicContact OE2-NZ 2.62Å; E24-K106 PolarHBondContact OE2-NZ 3.48Å
25L93.7Very high82.6Confident40 Ų4074.8 Ų74.821%0.20938%0.384CS..EExtended strand (participates in β ladder)trans-147.5149.4-178.6-63.3173000110.3I11 L12 P139 L142I11-L25 WeakPolarHBondContact CA-O 3.31Å; L12-L25 HydrophobicContact CB-CB 4.1Å; L12-L25 HydrophobicContact CD2-CD1 4.08Å; L12-L25 HydrophobicContact CD2-CG 4.45Å; L12-L25 PolarHBondContact N-O 2.99Å; L12-L25 PolarHBondContact O-N 3.07Å; L25-P139 HydrophobicContact CD2-CG 4.08Å; L25-L142 HydrophobicContact CB-CD2 3.62Å
26V94.2Very high81.9Confident15 Ų1575.1 Ų75.19%0.09139%0.388CS..EExtended strand (participates in β ladder)trans-137.2134.4177.7179.50000108.3I11 V23 P28 L30 L40I11-V26 HydrophobicContact CG1-CG1 4.19Å; I11-V26 HydrophobicContact CG1-CG2 4.35Å; I11-V26 HydrophobicContact CG2-CG2 4.21Å; V23-V26 HydrophobicContact CG1-CG2 3.51Å; V26-P28 WeakPolarHBondContact CG1-O 3.08Å; V26-L30 HydrophobicContact CG1-CB 4.48Å; V26-L30 HydrophobicContact CG1-CD1 3.94Å; V26-L30 HydrophobicContact CG1-CG 3.84Å; V26-L40 HydrophobicContact CG2-CD2 4.32Å
27Y93.2Very high81.3Confident60 Ų6076.8 Ų76.824%0.23540%0.402CS..EExtended strand (participates in β ladder)trans-147.4131.3174.2-176.3-90.6000112.2S9 L10 Q143 Y146S9-Y27 CarbonylContact C-O 3.55Å; S9-Y27 WeakPolarHBondContact CA-O 3.48Å; L10-Y27 PolarHBondContact N-O 2.76Å; L10-Y27 PolarHBondContact O-N 3.09Å; Y27-Q143 HydrophobicContact CD1-CB 4.35Å; Y27-Q143 HydrophobicContact CD2-CB 4.13Å; Y27-Q143 HydrophobicContact CE1-CB 4.06Å; Y27-Q143 HydrophobicContact CE1-CG 3.99Å; Y27-Q143 HydrophobicContact CE2-CB 3.83Å; Y27-Q143 HydrophobicContact CE2-CG 3.96Å; Y27-Q143 HydrophobicContact CG-CB 4.38Å; Y27-Q143 WeakPolarHBondContact OH-CG 3.29Å; Y27-Q143 PolarHBondContact OH-NE2 3.3Å; Y27-Y146 AromaticContact CD1-CD1 3.93Å; Y27-Y146 HydrophobicContact CD1-CD1 3.93Å; Y27-Y146 HydrophobicContact CD1-CD2 4.12Å; Y27-Y146 AromaticContact CD1-CG 3.6Å; Y27-Y146 HydrophobicContact CD1-CG 3.6Å; Y27-Y146 AromaticContact CE1-CD1 3.53Å; Y27-Y146 HydrophobicContact CE1-CD1 3.53Å; Y27-Y146 HydrophobicContact CE1-CE1 4.21Å; Y27-Y146 AromaticContact CE1-CG 3.73Å; Y27-Y146 HydrophobicContact CE1-CG 3.73Å
28P91.6Very high81.3Confident43 Ų4376 Ų7628%0.27940%0.402SS..SBendcis-60.9157.3-14.3-20.734.1000111.6V26 L30 Y146V26-P28 WeakPolarHBondContact CG1-O 3.08Å; P28-L30 PolarHBondContact O-N 3.33Å; P28-Y146 HydrophobicContact CG-CE1 4.49Å; P28-Y146 HydrophobicContact CG-CE2 4.38Å
29S83.1Confident81.3Confident69 Ų6971.1 Ų71.148%0.48339%0.388SS..  trans-59.3125177.3-55.90000110.9S31S29-S31 VanDerWaalsContact C-N 3.34Å
30L79.6Confident81.4Confident41 Ų4165 Ų6522%0.21536%0.362CS..SBendtrans-80.8-14.4-175.7-70171.7000113.9I11 V26 P28 L40 W44I11-L30 HydrophobicContact CD1-CD1 4.34Å; V26-L30 HydrophobicContact CG1-CB 4.48Å; V26-L30 HydrophobicContact CG1-CD1 3.94Å; V26-L30 HydrophobicContact CG1-CG 3.84Å; P28-L30 PolarHBondContact O-N 3.33Å; L30-L40 HydrophobicContact CD1-CD2 3.8Å; L30-W44 HydrophobicContact CD1-CE3 4.05Å; L30-W44 HydrophobicContact CD1-CZ3 3.84Å; L30-W44 HydrophobicContact CD2-CZ3 3.97Å
31S66.4Low81.4Confident27 Ų2765.2 Ų65.219%0.18936%0.358CS..  trans-108.1122.6-176.252.30000111S29 S34S29-S31 VanDerWaalsContact C-N 3.34Å; S31-S34 WeakPolarHBondContact CB-OG 3.5Å; S31-S34 PolarHBondContact OG-OG 2.67Å
32Y59.5Low81Confident223 Ų22371.3 Ų71.388%0.87538%0.384SS*.SBendtrans-80.4-25.1171.6-61.5-73.7000112.7
33D57.9Low80.6Confident167 Ų16774.1 Ų74.189%0.89339%0.393SS*.SBendtrans-117.6-2.2-166-59.8-43.2000115.7
34S59.6Low80.4Confident44 Ų4473.8 Ų73.831%0.30839%0.39SS..  trans-103.6135.4178.5610000113S31 D36S31-S34 WeakPolarHBondContact CB-OG 3.5Å; S31-S34 PolarHBondContact OG-OG 2.67Å; S34-D36 PolarHBondContact O-N 2.79Å; S34-D36 PolarHBondContact OG-O 3.06Å
35S67.7Low80.1Confident132 Ų13272.9 Ų72.992%0.92339%0.392SS*.SBendtrans-66.4-17.2170.753.60000113.6
36D75.5Confident79.9Confident78 Ų7875.5 Ų75.542%0.41740%0.403SS..  trans-92.6113.8172.5-171.7-14.9000109.8S34 T38S34-D36 PolarHBondContact O-N 2.79Å; S34-D36 PolarHBondContact OG-O 3.06Å; D36-T38 VanDerWaalsContact CG-OG1 3.29Å; D36-T38 PolarHBondContact O-N 3.26Å; D36-T38 WeakPolarHBondContact OD1-CB 3.46Å; D36-T38 PolarHBondContact OD1-N 3.15Å; D36-T38 PolarHBondContact OD1-OG1 3.14Å; D36-T38 PolarHBondContact OD2-OG1 3.24Å
37P75Confident79.8Confident69 Ų6974.9 Ų74.945%0.44840%0.399SS..THydrogen-bonded Turntrans-74.3-7.617832.5-36.5000113.3
38T79.9Confident79.8Confident39 Ų3972.8 Ų72.824%0.23939%0.392CS..THydrogen-bonded Turntrans-90.3-5.817972.50000113.4D36 L40D36-T38 VanDerWaalsContact CG-OG1 3.29Å; D36-T38 PolarHBondContact O-N 3.26Å; D36-T38 WeakPolarHBondContact OD1-CB 3.46Å; D36-T38 PolarHBondContact OD1-N 3.15Å; D36-T38 PolarHBondContact OD1-OG1 3.14Å; D36-T38 PolarHBondContact OD2-OG1 3.24Å; T38-L40 PolarHBondContact O-N 3.44Å
39H84.2Confident79.8Confident109 Ų10972.7 Ų72.751%0.50540%0.396SS..  trans-70.5112-176.5-175.7-82.4000112.2
40L87.6Confident80.3Confident18 Ų1869.8 Ų69.89%0.09437%0.374CS..  trans-81.2146.5173.6-61-179000111.5I11 V23 V26 L30 T38 L47 P48I11-L40 HydrophobicContact CD1-CD2 4.08Å; V23-L40 HydrophobicContact CG2-CD1 3.73Å; V23-L40 HydrophobicContact CG2-CG 4Å; V26-L40 HydrophobicContact CG2-CD2 4.32Å; L30-L40 HydrophobicContact CD1-CD2 3.8Å; T38-L40 PolarHBondContact O-N 3.44Å; L40-L47 HydrophobicContact CD1-CB 3.97Å; L40-L47 HydrophobicContact CD1-CD1 4.35Å; L40-L47 HydrophobicContact CD1-CD2 4.34Å; L40-L47 HydrophobicContact CD1-CG 4.47Å; L40-P48 HydrophobicContact CD1-CG 4.3Å
41P87.6Confident81Confident28 Ų2867.9 Ų67.918%0.18237%0.365CS..  trans-55.3148.8169.7-2636.1000112.4Q43 W44 S45 I71P41-Q43 VanDerWaalsContact C-N 3.26Å; P41-Q43 PolarHBondContact O-N 2.85Å; P41-Q43 VanDerWaalsContact O-N 3.16Å; P41-W44 HydrophobicContact CG-CE3 4.33Å; P41-W44 CarbonylContact O-C 3.53Å; P41-W44 WeakPolarHBondContact O-CA 3.38Å; P41-W44 PolarHBondContact O-N 2.84Å; P41-S45 PolarHBondContact O-N 3.25Å; P41-I71 HydrophobicContact CB-CD1 3.37Å; P41-I71 HydrophobicContact CG-CD1 3.48Å; P41-I71 VanDerWaalsContact CG-CD1 3.48Å
42H84.8Confident82.3Confident157 Ų15767.4 Ų67.473%0.72736%0.36SS*.G310 helixtrans-55.1-39.6-173.1177.453.3000113.4W44 S45H42-W44 PolarHBondContact O-N 3.18Å; H42-S45 VanDerWaalsContact O-CB 3.23Å; H42-S45 WeakPolarHBondContact O-CB 3.04Å; H42-S45 PolarHBondContact O-N 3.41Å; H42-S45 VanDerWaalsContact O-N 3.11Å; H42-S45 PolarHBondContact O-OG 3.29Å
43Q83.5Confident83.7Confident109 Ų10957.1 Ų57.151%0.50932%0.321SS..G310 helixtrans-60.1-24176.3-61.887.4-24.300113.4P41 P69P41-Q43 VanDerWaalsContact C-N 3.26Å; P41-Q43 PolarHBondContact O-N 2.85Å; P41-Q43 VanDerWaalsContact O-N 3.16Å; Q43-P69 HydrophobicContact CB-CG 4.49Å
44W90.7Very high85.2Confident10 Ų1052 Ų524%0.03829%0.293CS..G310 helixtrans-110.811.8-179.8-60.4-10.2000112.4L30 P41 H42 H46 L47 L68 P69 I71 V78 L111L30-W44 HydrophobicContact CD1-CE3 4.05Å; L30-W44 HydrophobicContact CD1-CZ3 3.84Å; L30-W44 HydrophobicContact CD2-CZ3 3.97Å; P41-W44 HydrophobicContact CG-CE3 4.33Å; P41-W44 CarbonylContact O-C 3.53Å; P41-W44 WeakPolarHBondContact O-CA 3.38Å; P41-W44 PolarHBondContact O-N 2.84Å; H42-W44 PolarHBondContact O-N 3.18Å; W44-H46 PolarHBondContact O-N 2.77Å; W44-L47 HydrophobicContact CB-CB 4.48Å; W44-L47 HydrophobicContact CB-CD1 4.39Å; W44-L47 WeakPolarHBondContact O-CB 3.4Å; W44-L47 PolarHBondContact O-N 3.18Å; W44-L68 HydrophobicContact CB-CD1 4.43Å; W44-L68 HydrophobicContact CD2-CD1 4.26Å; W44-L68 HydrophobicContact CG-CD1 3.9Å; W44-P69 PolarHBondContact NE1-O 3.03Å; W44-I71 HydrophobicContact CD2-CD1 3.55Å; W44-I71 HydrophobicContact CD2-CG1 4.36Å; W44-I71 HydrophobicContact CE3-CD1 3.83Å; W44-I71 HydrophobicContact CG-CD1 4.15Å; W44-I71 HydrophobicContact CH2-CD1 3.83Å; W44-I71 HydrophobicContact CH2-CG1 4.4Å; W44-I71 HydrophobicContact CZ2-CB 4.45Å; W44-I71 HydrophobicContact CZ2-CD1 3.54Å; W44-I71 HydrophobicContact CZ2-CG1 3.75Å; W44-I71 HydrophobicContact CZ3-CD1 3.96Å; W44-V78 HydrophobicContact CZ2-CG1 4.48Å; W44-V78 HydrophobicContact CZ2-CG2 4.25Å; W44-L111 HydrophobicContact CD2-CD1 4.12Å; W44-L111 HydrophobicContact CE3-CD1 3.58Å; W44-L111 HydrophobicContact CH2-CD1 3.71Å; W44-L111 HydrophobicContact CZ2-CD1 4.22Å; W44-L111 HydrophobicContact CZ3-CD1 3.36Å
45S87.8Confident86.5Confident52 Ų5250.8 Ų50.836%0.36429%0.288SS..THydrogen-bonded Turntrans-54.5-28.2-179.954.50000114.2P41 H42 P48P41-S45 PolarHBondContact O-N 3.25Å; H42-S45 VanDerWaalsContact O-CB 3.23Å; H42-S45 WeakPolarHBondContact O-CB 3.04Å; H42-S45 PolarHBondContact O-N 3.41Å; H42-S45 VanDerWaalsContact O-N 3.11Å; H42-S45 PolarHBondContact O-OG 3.29Å; S45-P48 WeakPolarHBondContact O-CD 3.39Å
46H87.5Confident87.4Confident96 Ų9644.7 Ų44.744%0.44425%0.245SC..THydrogen-bonded Turntrans-89.8-1.6178.6-51.6-75.9000114.8W44 P48 A49 L50 L381W44-H46 PolarHBondContact O-N 2.77Å; H46-P48 VanDerWaalsContact C-N 3.31Å; H46-A49 WeakPolarHBondContact O-CB 3.5Å; H46-A49 PolarHBondContact O-N 3.45Å; H46-L50 PolarHBondContact O-N 3.08Å; H46-L381 HydrophobicContact CB-CD1 3.81Å; H46-L381 HydrophobicContact CB-CD2 3.59Å; H46-L381 HydrophobicContact CB-CG 4.07Å
47L93.4Very high87.9Confident1 Ų146.4 Ų46.41%0.00525%0.251CS..Hα-helixtrans-51.7-39.1178.6-174.4165.6000113.2I11 I13 L40 W44 A49 L50 A51 F66 L68 V109 L111I11-L47 HydrophobicContact CD1-CD1 3.77Å; I11-L47 HydrophobicContact CD1-CD2 4.25Å; I13-L47 HydrophobicContact CD1-CD2 3.36Å; L40-L47 HydrophobicContact CD1-CB 3.97Å; L40-L47 HydrophobicContact CD1-CD1 4.35Å; L40-L47 HydrophobicContact CD1-CD2 4.34Å; L40-L47 HydrophobicContact CD1-CG 4.47Å; W44-L47 HydrophobicContact CB-CB 4.48Å; W44-L47 HydrophobicContact CB-CD1 4.39Å; W44-L47 WeakPolarHBondContact O-CB 3.4Å; W44-L47 PolarHBondContact O-N 3.18Å; L47-A49 VanDerWaalsContact C-N 3.25Å; L47-A49 PolarHBondContact O-N 3.24Å; L47-L50 WeakPolarHBondContact O-CB 3.43Å; L47-L50 PolarHBondContact O-N 3.16Å; L47-A51 WeakPolarHBondContact O-CB 3.31Å; L47-A51 PolarHBondContact O-N 3.1Å; L47-F66 HydrophobicContact CG-CE2 4.48Å; L47-F66 HydrophobicContact CG-CZ 4.42Å; L47-L68 HydrophobicContact CD1-CD1 3.93Å; L47-L68 HydrophobicContact CG-CD1 4.4Å; L47-V109 HydrophobicContact CD2-CG1 4.17Å; L47-L111 HydrophobicContact CD1-CD1 3.87Å; L47-L111 HydrophobicContact CD1-CD2 4.04Å; L47-L111 HydrophobicContact CD1-CG 4.32Å
48P93Very high88.6Confident16 Ų1648.5 Ų48.510%0.10426%0.258CS..Hα-helixtrans-59.3-31.1175-2637.1000114.5I13 S21 V23 L40 S45 H46I13-P48 HydrophobicContact CD1-CB 4.49Å; I13-P48 HydrophobicContact CD1-CG 4.48Å; I13-P48 HydrophobicContact CG2-CB 4.39Å; S21-P48 WeakPolarHBondContact CB-O 3.33Å; S21-P48 PolarHBondContact OG-O 3.38Å; V23-P48 HydrophobicContact CG2-CG 3.8Å; L40-P48 HydrophobicContact CD1-CG 4.3Å; S45-P48 WeakPolarHBondContact O-CD 3.39Å; H46-P48 VanDerWaalsContact C-N 3.31Å
49A90.9Very high89.1Confident42 Ų4247.6 Ų47.635%0.34725%0.251SS..Hα-helixtrans-78.9-24.8176.400000113H46 L47 P378H46-A49 WeakPolarHBondContact O-CB 3.5Å; H46-A49 PolarHBondContact O-N 3.45Å; L47-A49 VanDerWaalsContact C-N 3.25Å; L47-A49 PolarHBondContact O-N 3.24Å; A49-P378 HydrophobicContact CB-CG 4.14Å
50L93.7Very high89.4Confident7 Ų746.9 Ų46.94%0.03725%0.254CS..Hα-helixtrans-76.6-31.2171.3-70.5159.4000111.8H46 L47 T64 F66 L68 Y376 P378 L381H46-L50 PolarHBondContact O-N 3.08Å; L47-L50 WeakPolarHBondContact O-CB 3.43Å; L47-L50 PolarHBondContact O-N 3.16Å; L50-T64 PolarHBondContact O-OG1 3.5Å; L50-F66 HydrophobicContact CB-CD1 4.04Å; L50-F66 HydrophobicContact CB-CD2 4.21Å; L50-F66 HydrophobicContact CB-CE1 4.2Å; L50-F66 HydrophobicContact CB-CE2 4.35Å; L50-F66 HydrophobicContact CB-CG 4.05Å; L50-F66 HydrophobicContact CB-CZ 4.35Å; L50-F66 HydrophobicContact CD1-CD2 3.89Å; L50-F66 HydrophobicContact CD1-CE2 4.28Å; L50-F66 HydrophobicContact CD1-CG 4.33Å; L50-F66 HydrophobicContact CD2-CB 4.01Å; L50-F66 HydrophobicContact CD2-CG 4.27Å; L50-F66 HydrophobicContact CG-CD2 4.47Å; L50-F66 HydrophobicContact CG-CG 4.46Å; L50-L68 HydrophobicContact CD1-CD2 3.75Å; L50-Y376 HydrophobicContact CD2-CD1 4.11Å; L50-Y376 WeakPolarHBondContact CD2-O 3.45Å; L50-P378 HydrophobicContact CD2-CG 4.43Å; L50-L381 HydrophobicContact CD1-CD1 4.05Å; L50-L381 HydrophobicContact CD2-CD1 4.14Å; L50-L381 HydrophobicContact CG-CD1 4Å
51A94.6Very high89.6Confident1 Ų147.6 Ų47.61%0.00826%0.256CS..Hα-helixtrans-74.8-27.7-174.400000115.3I13 L47 A82 S107 V109I13-A51 HydrophobicContact CB-CB 4.37Å; I13-A51 HydrophobicContact CD1-CB 3.67Å; I13-A51 HydrophobicContact CG2-CB 4.22Å; L47-A51 WeakPolarHBondContact O-CB 3.31Å; L47-A51 PolarHBondContact O-N 3.1Å; A51-A82 HydrophobicContact CB-CB 4.19Å; A51-S107 WeakPolarHBondContact O-CB 3.21Å; A51-S107 PolarHBondContact O-OG 3.1Å; A51-V109 HydrophobicContact CB-CG2 3.52Å
52I93.3Very high89.9Confident18 Ų1846.6 Ų46.69%0.09225%0.249CC..SBendtrans-12792.6175.9-55.9-177000106.8I13 F15 A56 Y84I13-I52 HydrophobicContact CG2-CD1 4.02Å; I13-I52 HydrophobicContact CG2-CG1 4.24Å; F15-I52 HydrophobicContact CB-CD1 3.98Å; I52-A56 HydrophobicContact CG2-CB 4.11Å; I52-Y84 HydrophobicContact CG1-CD2 4.17Å; I52-Y84 HydrophobicContact CG2-CD2 4.01Å; I52-Y84 HydrophobicContact CG2-CE2 3.84Å
53A89.4Confident90.4Very high6 Ų639.9 Ų39.95%0.0522%0.22CC..  trans-59.8150.7-176.600000113.4G55 A56 T64 Y376A53-G55 PolarHBondContact O-N 3.19Å; A53-G55 VanDerWaalsContact O-N 3.14Å; A53-A56 WeakPolarHBondContact O-CB 3.28Å; A53-A56 PolarHBondContact O-N 3.1Å; A53-T64 HydrophobicContact CB-CG2 3.9Å; A53-Y376 WeakPolarHBondContact CA-OH 3.42Å; A53-Y376 HydrophobicContact CB-CE1 3.74Å; A53-Y376 HydrophobicContact CB-CE2 3.94Å; A53-Y376 VanDerWaalsContact CB-CZ 3.4Å; A53-Y376 WeakPolarHBondContact CB-OH 3.42Å
54D88.9Confident91Very high60 Ų6034.9 Ų34.932%0.32120%0.197SC..THydrogen-bonded Turntrans-51.6121167.4-76.8-21.4000109Y376 T424 N425D54-Y376 PolarHBondContact N-OH 2.89Å; D54-T424 WeakPolarHBondContact CB-OG1 3.31Å; D54-T424 WeakPolarHBondContact O-CB 3.3Å; D54-T424 PolarHBondContact O-OG1 3.3Å; D54-N425 HydrophobicContact CB-CB 4.31Å; D54-N425 WeakPolarHBondContact OD2-CB 3.37Å; D54-N425 PolarHBondContact OD2-ND2 3.06Å
55G86.7Confident91.3Very high19 Ų1934.5 Ų34.520%0.19620%0.195CC..THydrogen-bonded Turntrans89.8-5.1-177.400000116.5A53 H57 N58A53-G55 PolarHBondContact O-N 3.19Å; A53-G55 VanDerWaalsContact O-N 3.14Å; G55-H57 PolarHBondContact O-N 3.35Å; G55-N58 WeakPolarHBondContact O-CB 3.43Å; G55-N58 PolarHBondContact O-N 3.05Å; G55-N58 PolarHBondContact O-ND2 2.8Å; G55-N58 VanDerWaalsContact O-ND2 3.11Å
56A87.3Confident91.6Very high3 Ų332.1 Ų32.13%0.02518%0.178CC..G310 helixtrans-55.5-28.9-178.500000114.2I52 A53 N58 Y59 Y84I52-A56 HydrophobicContact CG2-CB 4.11Å; A53-A56 WeakPolarHBondContact O-CB 3.28Å; A53-A56 PolarHBondContact O-N 3.1Å; A56-N58 PolarHBondContact O-N 3.25Å; A56-N58 VanDerWaalsContact O-N 3.14Å; A56-Y59 PolarHBondContact O-N 2.87Å; A56-Y84 HydrophobicContact CB-CD1 4.09Å; A56-Y84 HydrophobicContact CB-CD2 4.34Å; A56-Y84 HydrophobicContact CB-CE1 4.08Å; A56-Y84 HydrophobicContact CB-CE2 4.3Å; A56-Y84 HydrophobicContact CB-CG 4.21Å; A56-Y84 WeakPolarHBondContact O-CE1 3.18Å
57H86.8Confident92Very high114 Ų11428.2 Ų28.253%0.52816%0.162SC..G310 helixtrans-65-9.7175.964.9-95000115.1G55 Q86 Q105G55-H57 PolarHBondContact O-N 3.35Å; H57-Q86 PolarHBondContact O-OE1 3.11Å; H57-Q105 VanDerWaalsContact CB-NE2 3.32Å
58N89.4Confident91.9Very high113 Ų11328.8 Ų28.860%0.60417%0.165SC*.G310 helixtrans-79-6.4170.9-64-47.1000112.2G55 A56G55-N58 WeakPolarHBondContact O-CB 3.43Å; G55-N58 PolarHBondContact O-N 3.05Å; G55-N58 PolarHBondContact O-ND2 2.8Å; G55-N58 VanDerWaalsContact O-ND2 3.11Å; A56-N58 PolarHBondContact O-N 3.25Å; A56-N58 VanDerWaalsContact O-N 3.14Å
59Y89.5Confident91.8Very high21 Ų2130.4 Ų30.48%0.08218%0.176CC..SBendtrans-124.9143.9-171.4-52.2-47.8000111.5A56 K61 D62 D202 L456A56-Y59 PolarHBondContact O-N 2.87Å; Y59-K61 WeakPolarHBondContact CB-O 3.43Å; Y59-D62 HydrophobicContact CD2-CB 4.4Å; Y59-D202 VanDerWaalsContact OH-CB 3.23Å; Y59-D202 WeakPolarHBondContact OH-CB 3.29Å; Y59-D202 PolarHBondContact OH-O 2.71Å; Y59-D202 VanDerWaalsContact OH-O 3.12Å; Y59-L456 HydrophobicContact CD1-CB 4.01Å; Y59-L456 HydrophobicContact CD1-CD2 3.97Å; Y59-L456 HydrophobicContact CD2-CD2 3.45Å; Y59-L456 VanDerWaalsContact CD2-CD2 3.45Å; Y59-L456 VanDerWaalsContact CE1-CA 3.48Å; Y59-L456 HydrophobicContact CE1-CB 3.74Å; Y59-L456 HydrophobicContact CE1-CD2 4.31Å; Y59-L456 WeakPolarHBondContact CE1-O 3.18Å; Y59-L456 HydrophobicContact CE2-CB 4.32Å; Y59-L456 HydrophobicContact CE2-CD2 3.79Å; Y59-L456 HydrophobicContact CG-CB 4.42Å; Y59-L456 HydrophobicContact CG-CD2 3.52Å; Y59-L456 PolarHBondContact OH-O 3.32Å
60T91.4Very high91.8Very high93 Ų9329.2 Ų29.257%0.57117%0.165SC*.SBendtrans-70.3-27.5170.954.70000111.3R85 Q86T60-R85 WeakPolarHBondContact O-CD 3.3Å; T60-Q86 PolarHBondContact O-N 2.83Å
61K92.4Very high91.5Very high33 Ų3332.3 Ų32.314%0.14318%0.181CC..EExtended strand (participates in β ladder)trans-155.6152.8169.876.1-170.2-174.6168.20112.7Y59 Y84 T125 P454 L456Y59-K61 WeakPolarHBondContact CB-O 3.43Å; K61-Y84 VanDerWaalsContact CA-O 3.26Å; K61-Y84 WeakPolarHBondContact CA-O 3.37Å; K61-Y84 WeakPolarHBondContact CB-O 3.48Å; K61-T125 HydrophobicContact CD-CG2 4.47Å; K61-P454 HydrophobicContact CD-CG 4.06Å; K61-P454 HydrophobicContact CG-CG 4.23Å; K61-L456 WeakPolarHBondContact O-CD2 3.28Å
62D93.8Very high91Very high8 Ų838 Ų384%0.04321%0.207CC..EExtended strand (participates in β ladder)trans-146.9158.1166.7-162.1-5.9000107.7Y59 Y84 S203 G204 G205 L456Y59-D62 HydrophobicContact CD2-CB 4.4Å; D62-Y84 PolarHBondContact N-O 3.27Å; D62-Y84 PolarHBondContact O-N 3.36Å; D62-S203 VanDerWaalsContact CG-OG 3.25Å; D62-S203 PolarHBondContact OD1-OG 3.17Å; D62-S203 WeakPolarHBondContact OD2-CB 3.48Å; D62-S203 PolarHBondContact OD2-OG 2.96Å; D62-G204 PolarHBondContact OD2-N 2.73Å; D62-G204 VanDerWaalsContact OD2-N 3.15Å; D62-G205 VanDerWaalsContact OD1-CA 3.27Å; D62-G205 WeakPolarHBondContact OD1-CA 3.17Å; D62-G205 PolarHBondContact OD1-N 3.37Å; D62-G205 VanDerWaalsContact OD1-N 3.14Å; D62-G205 PolarHBondContact OD2-N 3.02Å; D62-L456 HydrophobicContact CB-CD2 3.69Å; D62-L456 VanDerWaalsContact CG-CD2 3.41Å
63C94.8Very high90.5Very high15 Ų1542.6 Ų42.610%0.10123%0.226CC..EExtended strand (participates in β ladder)trans-131.1107.3171.2-70.20000109.4A82 C83 A121 T125 G205C63-A82 CarbonylContact C-O 3.55Å; C63-A82 VanDerWaalsContact CA-O 3.24Å; C63-A82 WeakPolarHBondContact CA-O 3.16Å; C63-C83 HydrophobicContact CB-CB 4.23Å; C63-C83 WeakPolarHBondContact CB-SG 3.47Å; C63-C83 VanDerWaalsContact SG-CA 3.58Å; C63-C83 WeakPolarHBondContact SG-CB 3.48Å; C63-C83 CovalentContact SG-SG 2.06Å; C63-C83 PolarHBondContact SG-SG 3.07Å; C63-A121 HydrophobicContact CB-CB 4.38Å; C63-T125 PolarHBondContact SG-OG1 3Å; C63-T125 VanDerWaalsContact SG-OG1 3.34Å; C63-G205 WeakPolarHBondContact O-CA 3.46Å
64T94.9Very high90Very high5 Ų550.4 Ų50.43%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-93.8145.6-178.363.60000111.5L50 A53 A82L50-T64 PolarHBondContact O-OG1 3.5Å; A53-T64 HydrophobicContact CB-CG2 3.9Å; T64-A82 PolarHBondContact N-O 2.88Å; T64-A82 PolarHBondContact O-N 3.08Å
65Y97.1Very high89.7Confident2 Ų250.4 Ų50.41%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-112.4142.9173.4-45.7-41.7000110.1G80 I81 F117 S118 A121 S208 N209 L212 L375 Y376Y65-G80 WeakPolarHBondContact CA-O 3.34Å; Y65-I81 HydrophobicContact CD1-CG1 4.3Å; Y65-I81 HydrophobicContact CD1-CG2 4.14Å; Y65-I81 HydrophobicContact CE1-CG2 4.08Å; Y65-F117 HydrophobicContact CD1-CB 4.02Å; Y65-F117 HydrophobicContact CD1-CD1 4.16Å; Y65-F117 HydrophobicContact CD2-CB 4.09Å; Y65-F117 HydrophobicContact CE1-CB 4.18Å; Y65-F117 HydrophobicContact CE2-CB 4.2Å; Y65-F117 HydrophobicContact CG-CB 3.99Å; Y65-F117 AromaticContact CG-CD1 3.9Å; Y65-F117 HydrophobicContact CG-CD1 3.9Å; Y65-F117 HydrophobicContact CG-CG 4.23Å; Y65-S118 WeakPolarHBondContact OH-CA 3.06Å; Y65-S118 PolarHBondContact OH-OG 2.98Å; Y65-A121 HydrophobicContact CE1-CB 3.88Å; Y65-S208 WeakPolarHBondContact CD2-OG 3.19Å; Y65-S208 PolarHBondContact N-OG 2.94Å; Y65-N209 HydrophobicContact CE2-CB 4.26Å; Y65-L212 HydrophobicContact CD2-CD1 3.34Å; Y65-L212 HydrophobicContact CD2-CG 4.35Å; Y65-L212 HydrophobicContact CE2-CD1 3.73Å; Y65-L212 HydrophobicContact CG-CD1 4.18Å; Y65-L375 CarbonylContact O-C 3.5Å; Y65-L375 VanDerWaalsContact O-CB 3.27Å; Y65-L375 WeakPolarHBondContact O-CB 3.42Å; Y65-Y376 VanDerWaalsContact O-CB 3.25Å; Y65-Y376 WeakPolarHBondContact O-CB 3.47Å; Y65-Y376 PolarHBondContact O-N 3.27Å; Y65-Y376 VanDerWaalsContact O-N 3.11Å
66F95.9Very high89.7Confident1 Ų151.7 Ų51.70%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-150.4172.4177.457.6-87.4000110.3L47 L50 L68 G80 A82 V109 L111L47-F66 HydrophobicContact CG-CE2 4.48Å; L47-F66 HydrophobicContact CG-CZ 4.42Å; L50-F66 HydrophobicContact CB-CD1 4.04Å; L50-F66 HydrophobicContact CB-CD2 4.21Å; L50-F66 HydrophobicContact CB-CE1 4.2Å; L50-F66 HydrophobicContact CB-CE2 4.35Å; L50-F66 HydrophobicContact CB-CG 4.05Å; L50-F66 HydrophobicContact CB-CZ 4.35Å; L50-F66 HydrophobicContact CD1-CD2 3.89Å; L50-F66 HydrophobicContact CD1-CE2 4.28Å; L50-F66 HydrophobicContact CD1-CG 4.33Å; L50-F66 HydrophobicContact CD2-CB 4.01Å; L50-F66 HydrophobicContact CD2-CG 4.27Å; L50-F66 HydrophobicContact CG-CD2 4.47Å; L50-F66 HydrophobicContact CG-CG 4.46Å; F66-L68 HydrophobicContact CD2-CD1 4.42Å; F66-L68 HydrophobicContact CD2-CD2 4.28Å; F66-L68 HydrophobicContact CD2-CG 3.98Å; F66-L68 HydrophobicContact CE2-CD1 3.86Å; F66-L68 HydrophobicContact CE2-CD2 4.42Å; F66-L68 HydrophobicContact CE2-CG 3.94Å; F66-G80 PolarHBondContact N-O 3.04Å; F66-G80 PolarHBondContact O-N 3Å; F66-A82 HydrophobicContact CE1-CB 3.86Å; F66-V109 HydrophobicContact CE1-CG1 4.23Å; F66-V109 HydrophobicContact CZ-CG1 3.76Å; F66-L111 HydrophobicContact CE2-CD2 4.22Å; F66-L111 HydrophobicContact CZ-CD2 4.41Å
67S94Very high89.9Confident15 Ų1552 Ų5211%0.10526%0.264CS..EExtended strand (participates in β ladder)trans-132.1143.3175.655.10000110.3V78 S230 A373S67-V78 WeakPolarHBondContact CA-O 3.29Å; S67-S230 VanDerWaalsContact C-OG 3.29Å; S67-S230 WeakPolarHBondContact CB-OG 3.43Å; S67-S230 PolarHBondContact OG-OG 2.79Å; S67-A373 PolarHBondContact OG-O 2.91Å
68L93Very high90.2Very high12 Ų1246.6 Ų46.66%0.06324%0.239CC..EExtended strand (participates in β ladder)trans-124.1154-179.5-65.3177.1000109.8W44 L47 L50 F66 A77 V78 L111 S230W44-L68 HydrophobicContact CB-CD1 4.43Å; W44-L68 HydrophobicContact CD2-CD1 4.26Å; W44-L68 HydrophobicContact CG-CD1 3.9Å; L47-L68 HydrophobicContact CD1-CD1 3.93Å; L47-L68 HydrophobicContact CG-CD1 4.4Å; L50-L68 HydrophobicContact CD1-CD2 3.75Å; F66-L68 HydrophobicContact CD2-CD1 4.42Å; F66-L68 HydrophobicContact CD2-CD2 4.28Å; F66-L68 HydrophobicContact CD2-CG 3.98Å; F66-L68 HydrophobicContact CE2-CD1 3.86Å; F66-L68 HydrophobicContact CE2-CD2 4.42Å; F66-L68 HydrophobicContact CE2-CG 3.94Å; L68-A77 CarbonylContact O-C 3.57Å; L68-A77 WeakPolarHBondContact O-CA 3.39Å; L68-V78 HydrophobicContact CB-CB 4.46Å; L68-V78 PolarHBondContact N-O 3.04Å; L68-V78 PolarHBondContact O-N 3.48Å; L68-L111 HydrophobicContact CD1-CD2 4Å; L68-S230 PolarHBondContact N-OG 3.16Å
69P91Very high90.6Very high51 Ų5141.7 Ų41.733%0.33121%0.212SC..EExtended strand (participates in β ladder)trans-63.1138.8165.828.8-34.6000110.2Q43 W44Q43-P69 HydrophobicContact CB-CG 4.49Å; W44-P69 PolarHBondContact NE1-O 3.03Å
70S89.8Confident90.9Very high16 Ų1640.7 Ų40.711%0.11221%0.209CC..  trans-72.2139173.5-179.90000110.9E72 K73 D76S70-E72 PolarHBondContact OG-N 3.43Å; S70-K73 WeakPolarHBondContact CB-O 3.47Å; S70-K73 PolarHBondContact OG-N 3.45Å; S70-D76 WeakPolarHBondContact CB-O 3.44Å; S70-D76 PolarHBondContact N-O 3.09Å
71I86.9Confident91.2Very high73 Ų7336.3 Ų36.337%0.37418%0.181SC..SBendtrans-85-27175.9-61.2173.6000110.4P41 W44P41-I71 HydrophobicContact CB-CD1 3.37Å; P41-I71 HydrophobicContact CG-CD1 3.48Å; P41-I71 VanDerWaalsContact CG-CD1 3.48Å; W44-I71 HydrophobicContact CD2-CD1 3.55Å; W44-I71 HydrophobicContact CD2-CG1 4.36Å; W44-I71 HydrophobicContact CE3-CD1 3.83Å; W44-I71 HydrophobicContact CG-CD1 4.15Å; W44-I71 HydrophobicContact CH2-CD1 3.83Å; W44-I71 HydrophobicContact CH2-CG1 4.4Å; W44-I71 HydrophobicContact CZ2-CB 4.45Å; W44-I71 HydrophobicContact CZ2-CD1 3.54Å; W44-I71 HydrophobicContact CZ2-CG1 3.75Å; W44-I71 HydrophobicContact CZ3-CD1 3.96Å
72E84.6Confident91.5Very high121 Ų12134.7 Ų34.757%0.56518%0.175SC*.SBendtrans-81.4-36.2-176.9-54.7179.5153.100112.3S70 R113S70-E72 PolarHBondContact OG-N 3.43Å; E72-R113 IonicContact OE1-CZ 2.84Å; E72-R113 IonicContact OE1-NH2 3.27Å; E72-R113 PolarHBondContact OE1-NH2 3.32Å; E72-R113 IonicContact OE2-CZ 3.97Å; E72-R113 VanDerWaalsContact OE2-CZ 3.25Å; E72-R113 IonicContact OE2-NE 3.4Å; E72-R113 PolarHBondContact OE2-NE 3.11Å; E72-R113 VanDerWaalsContact OE2-NE 3.08Å; E72-R113 IonicContact OE2-NH2 2.8Å; E72-R113 PolarHBondContact OE2-NH2 3.38Å
73K84Confident91.6Very high113 Ų11334.4 Ų34.449%0.49117%0.173SC..SBendtrans-138.2107.2-178.4177.9152.3168.7-86.10109.4S70 D75 D76S70-K73 WeakPolarHBondContact CB-O 3.47Å; S70-K73 PolarHBondContact OG-N 3.45Å; K73-D75 PolarHBondContact O-N 3.2Å; K73-D76 HydrophobicContact CB-CB 4.24Å; K73-D76 VanDerWaalsContact CD-OD2 3.25Å; K73-D76 WeakPolarHBondContact CD-OD2 3.39Å; K73-D76 HydrophobicContact CG-CB 4.19Å; K73-D76 WeakPolarHBondContact CG-OD2 3.28Å; K73-D76 IonicContact NZ-OD1 3.78Å; K73-D76 PolarHBondContact NZ-OD1 2.76Å; K73-D76 IonicContact NZ-OD2 3.13Å; K73-D76 PolarHBondContact NZ-OD2 2.82Å; K73-D76 PolarHBondContact O-N 3Å
74K78.8Confident91.7Very high170 Ų17034 Ų3474%0.73917%0.169SC*.THydrogen-bonded Turntrans-46.8-34.2-168.3-172.9-177.9176.9-172.70115.8F231K74-F231 HydrophobicContact CG-CE2 4.44Å; K74-F231 WeakPolarHBondContact O-CD2 3.46Å
75D81Confident91.6Very high61 Ų6136.3 Ų36.333%0.32618%0.177SC..THydrogen-bonded Turntrans-97.6-8-172.5-49.6-20.4000112.8K73 Q228 F231K73-D75 PolarHBondContact O-N 3.2Å; D75-Q228 WeakPolarHBondContact O-CG 3.49Å; D75-F231 HydrophobicContact CB-CD1 4.39Å; D75-F231 HydrophobicContact CB-CD2 4.45Å; D75-F231 HydrophobicContact CB-CE1 4.33Å; D75-F231 HydrophobicContact CB-CE2 4.42Å; D75-F231 HydrophobicContact CB-CG 4.44Å; D75-F231 HydrophobicContact CB-CZ 4.36Å; D75-F231 WeakPolarHBondContact OD1-CE2 3.27Å; D75-F231 VanDerWaalsContact OD1-CZ 3.23Å; D75-F231 WeakPolarHBondContact OD1-CZ 3.27Å
76D87.1Confident91.3Very high45 Ų4538.1 Ų38.124%0.24119%0.186CC..  trans-91.7153.1-176.6-72.61.3000112.4S70 K73 S227S70-D76 WeakPolarHBondContact CB-O 3.44Å; S70-D76 PolarHBondContact N-O 3.09Å; K73-D76 HydrophobicContact CB-CB 4.24Å; K73-D76 VanDerWaalsContact CD-OD2 3.25Å; K73-D76 WeakPolarHBondContact CD-OD2 3.39Å; K73-D76 HydrophobicContact CG-CB 4.19Å; K73-D76 WeakPolarHBondContact CG-OD2 3.28Å; K73-D76 IonicContact NZ-OD1 3.78Å; K73-D76 PolarHBondContact NZ-OD1 2.76Å; K73-D76 IonicContact NZ-OD2 3.13Å; K73-D76 PolarHBondContact NZ-OD2 2.82Å; K73-D76 PolarHBondContact O-N 3Å; D76-S227 CarbonylContact C-O 3.51Å; D76-S227 VanDerWaalsContact CA-O 3.28Å; D76-S227 WeakPolarHBondContact CA-O 2.94Å
77A91.9Very high90.9Very high9 Ų939.3 Ų39.37%0.07420%0.196CC..EExtended strand (participates in β ladder)trans-95.6145.1172.600000111.5L68 F79 S227L68-A77 CarbonylContact O-C 3.57Å; L68-A77 WeakPolarHBondContact O-CA 3.39Å; A77-F79 HydrophobicContact CB-CE1 4.16Å; A77-F79 HydrophobicContact CB-CZ 4.38Å; A77-S227 WeakPolarHBondContact CB-O 3.44Å; A77-S227 PolarHBondContact N-O 3.36Å
78V94.1Very high90.5Very high2 Ų242.9 Ų42.91%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-105.8135.2168.4167.70000108.5L8 W44 S67 L68 L111L8-V78 HydrophobicContact CD1-CB 4.29Å; L8-V78 HydrophobicContact CD1-CG1 3.67Å; L8-V78 HydrophobicContact CD1-CG2 3.58Å; W44-V78 HydrophobicContact CZ2-CG1 4.48Å; W44-V78 HydrophobicContact CZ2-CG2 4.25Å; S67-V78 WeakPolarHBondContact CA-O 3.29Å; L68-V78 HydrophobicContact CB-CB 4.46Å; L68-V78 PolarHBondContact N-O 3.04Å; L68-V78 PolarHBondContact O-N 3.48Å; V78-L111 HydrophobicContact CG1-CB 3.86Å; V78-L111 HydrophobicContact CG1-CD2 4.22Å; V78-L111 HydrophobicContact CG1-CG 4.42Å
79F96.2Very high89.9Confident10 Ų1043.9 Ų43.94%0.04422%0.222CC..EExtended strand (participates in β ladder)trans-97.6117.9-174-54.6-63.4000110.4A77 S112 R113 F114 P115 F117 L226A77-F79 HydrophobicContact CB-CE1 4.16Å; A77-F79 HydrophobicContact CB-CZ 4.38Å; F79-S112 PolarHBondContact N-O 2.81Å; F79-S112 PolarHBondContact O-N 3.01Å; F79-R113 WeakPolarHBondContact CE2-O 3.3Å; F79-F114 VanDerWaalsContact CD2-C 3.42Å; F79-P115 HydrophobicContact CD1-CB 4Å; F79-P115 HydrophobicContact CD2-CB 3.79Å; F79-P115 HydrophobicContact CD2-CG 4.28Å; F79-P115 HydrophobicContact CE1-CB 4.06Å; F79-P115 HydrophobicContact CE2-CB 3.85Å; F79-P115 HydrophobicContact CE2-CG 3.96Å; F79-P115 HydrophobicContact CG-CB 3.85Å; F79-P115 HydrophobicContact CZ-CB 3.97Å; F79-P115 HydrophobicContact CZ-CG 4.18Å; F79-F117 HydrophobicContact CB-CE1 3.79Å; F79-F117 HydrophobicContact CB-CZ 3.82Å; F79-F117 HydrophobicContact CD1-CE1 4.27Å; F79-F117 HydrophobicContact CD1-CE2 4.15Å; F79-F117 AromaticContact CD1-CZ 3.5Å; F79-F117 HydrophobicContact CD1-CZ 3.5Å; F79-F117 HydrophobicContact CE1-CZ 4.43Å; F79-F117 HydrophobicContact CG-CE1 4.43Å; F79-F117 AromaticContact CG-CZ 3.95Å; F79-F117 HydrophobicContact CG-CZ 3.95Å; F79-L226 HydrophobicContact CE1-CB 4.05Å; F79-L226 HydrophobicContact CZ-CB 4.27Å
80G97Very high89.2Confident0 Ų045.4 Ų45.40%024%0.239CC..EExtended strand (participates in β ladder)trans-100.1131-17800000112.4Y65 F66 V110Y65-G80 WeakPolarHBondContact CA-O 3.34Å; F66-G80 PolarHBondContact N-O 3.04Å; F66-G80 PolarHBondContact O-N 3Å; G80-V110 WeakPolarHBondContact CA-O 3.31Å
81I97.9Very high88.4Confident0 Ų047.1 Ų47.10%025%0.251CS..EExtended strand (participates in β ladder)trans-123.1117.8172.9-58.881.2000107.2Y65 V109 V110 F117 I120 A121 L124Y65-I81 HydrophobicContact CD1-CG1 4.3Å; Y65-I81 HydrophobicContact CD1-CG2 4.14Å; Y65-I81 HydrophobicContact CE1-CG2 4.08Å; I81-V109 CarbonylContact O-C 3.57Å; I81-V109 VanDerWaalsContact O-CA 3.26Å; I81-V109 WeakPolarHBondContact O-CA 3.44Å; I81-V110 HydrophobicContact CB-CB 4.4Å; I81-V110 PolarHBondContact N-O 2.94Å; I81-V110 PolarHBondContact O-N 3.24Å; I81-F117 HydrophobicContact CD1-CD1 4.14Å; I81-F117 HydrophobicContact CG1-CB 4.43Å; I81-F117 HydrophobicContact CG1-CD1 4.06Å; I81-I120 HydrophobicContact CB-CG2 4.18Å; I81-I120 HydrophobicContact CD1-CB 4.3Å; I81-I120 HydrophobicContact CD1-CD1 4.04Å; I81-I120 HydrophobicContact CD1-CG2 4.09Å; I81-I120 HydrophobicContact CG1-CB 4.23Å; I81-I120 HydrophobicContact CG1-CG2 4.03Å; I81-I120 HydrophobicContact CG2-CG2 4.32Å; I81-A121 HydrophobicContact CG2-CB 3.83Å; I81-L124 HydrophobicContact CG2-CD2 3.95Å
82A97.5Very high87.4Confident0 Ų045.4 Ų45.40%024%0.24CC..EExtended strand (participates in β ladder)trans-118.2113176.400000110.9A51 C63 T64 F66 V109A51-A82 HydrophobicContact CB-CB 4.19Å; C63-A82 CarbonylContact C-O 3.55Å; C63-A82 VanDerWaalsContact CA-O 3.24Å; C63-A82 WeakPolarHBondContact CA-O 3.16Å; T64-A82 PolarHBondContact N-O 2.88Å; T64-A82 PolarHBondContact O-N 3.08Å; F66-A82 HydrophobicContact CE1-CB 3.86Å; A82-V109 HydrophobicContact CB-CB 4.43Å; A82-V109 HydrophobicContact CB-CG1 4.23Å; A82-V109 HydrophobicContact CB-CG2 3.77Å
83C96.9Very high86Confident1 Ų145.5 Ų45.51%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-100.5111.1174.7-77.80000110.7C63 S107 L108 L124 I128C63-C83 HydrophobicContact CB-CB 4.23Å; C63-C83 WeakPolarHBondContact CB-SG 3.47Å; C63-C83 VanDerWaalsContact SG-CA 3.58Å; C63-C83 WeakPolarHBondContact SG-CB 3.48Å; C63-C83 CovalentContact SG-SG 2.06Å; C63-C83 PolarHBondContact SG-SG 3.07Å; C83-S107 WeakPolarHBondContact O-CA 3.48Å; C83-S107 PolarHBondContact O-OG 3.22Å; C83-L108 PolarHBondContact N-O 3.3Å; C83-L108 PolarHBondContact O-N 3.12Å; C83-L124 HydrophobicContact CB-CD2 4.01Å; C83-L124 HydrophobicContact CB-CG 4.22Å; C83-I128 WeakPolarHBondContact O-CD1 3.36Å
84Y95.6Very high84.6Confident6 Ų647.7 Ų47.72%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-85.6144.4179.1172.9-97.2000112I52 A56 K61 D62 Q86 Q105I52-Y84 HydrophobicContact CG1-CD2 4.17Å; I52-Y84 HydrophobicContact CG2-CD2 4.01Å; I52-Y84 HydrophobicContact CG2-CE2 3.84Å; A56-Y84 HydrophobicContact CB-CD1 4.09Å; A56-Y84 HydrophobicContact CB-CD2 4.34Å; A56-Y84 HydrophobicContact CB-CE1 4.08Å; A56-Y84 HydrophobicContact CB-CE2 4.3Å; A56-Y84 HydrophobicContact CB-CG 4.21Å; A56-Y84 WeakPolarHBondContact O-CE1 3.18Å; K61-Y84 VanDerWaalsContact CA-O 3.26Å; K61-Y84 WeakPolarHBondContact CA-O 3.37Å; K61-Y84 WeakPolarHBondContact CB-O 3.48Å; D62-Y84 PolarHBondContact N-O 3.27Å; D62-Y84 PolarHBondContact O-N 3.36Å; Y84-Q86 HydrophobicContact CE1-CB 4.13Å; Y84-Q86 PolarHBondContact OH-OE1 2.85Å; Y84-Q105 HydrophobicContact CE2-CB 4.02Å; Y84-Q105 HydrophobicContact CE2-CG 4.42Å; Y84-Q105 VanDerWaalsContact OH-CD 3.23Å; Y84-Q105 VanDerWaalsContact OH-CG 3.27Å; Y84-Q105 WeakPolarHBondContact OH-CG 3.19Å; Y84-Q105 PolarHBondContact OH-NE2 3.48Å; Y84-Q105 VanDerWaalsContact OH-NE2 3.12Å
85R94Very high83.4Confident54 Ų5445.3 Ų45.320%0.20426%0.262CS..EExtended strand (participates in β ladder)trans-144.8142.8172.7-158.473.6-178.3-132.7-14111.5T60 K106 I128 D129 F132T60-R85 WeakPolarHBondContact O-CD 3.3Å; R85-K106 PolarHBondContact N-O 3.16Å; R85-K106 PolarHBondContact O-N 2.91Å; R85-K106 VanDerWaalsContact O-O 3.11Å; R85-I128 HydrophobicContact CB-CD1 3.88Å; R85-I128 HydrophobicContact CB-CG1 4.3Å; R85-D129 VanDerWaalsContact CZ-CG 3.41Å; R85-D129 IonicContact CZ-OD1 2.54Å; R85-D129 IonicContact CZ-OD2 2.79Å; R85-D129 IonicContact NE-OD1 2.68Å; R85-D129 IonicContact NH1-OD1 2.61Å; R85-D129 PolarHBondContact NH1-OD1 2.74Å; R85-D129 IonicContact NH1-OD2 3.37Å; R85-D129 PolarHBondContact NH1-OD2 3.39Å; R85-D129 IonicContact NH2-OD1 3.55Å; R85-D129 PolarHBondContact NH2-OD1 3.06Å; R85-D129 IonicContact NH2-OD2 2.93Å; R85-D129 PolarHBondContact NH2-OD2 3.36Å; R85-F132 HydrophobicContact CB-CD2 4Å; R85-F132 HydrophobicContact CB-CE1 4.4Å; R85-F132 HydrophobicContact CB-CE2 3.53Å; R85-F132 HydrophobicContact CB-CZ 3.74Å; R85-F132 HydrophobicContact CG-CD1 4.4Å; R85-F132 HydrophobicContact CG-CD2 4Å; R85-F132 HydrophobicContact CG-CE1 4.36Å; R85-F132 HydrophobicContact CG-CE2 3.99Å; R85-F132 HydrophobicContact CG-CG 4.23Å; R85-F132 HydrophobicContact CG-CZ 4.16Å; R85-F132 WeakPolarHBondContact O-CZ 3.47Å
86Q90.8Very high82.2Confident41 Ų4146.2 Ų46.219%0.19227%0.267CS..EExtended strand (participates in β ladder)trans-123.1139.6173.6-173.3167.9-5.900110.8H57 T60 Y84 T103 V104 Q105H57-Q86 PolarHBondContact O-OE1 3.11Å; T60-Q86 PolarHBondContact O-N 2.83Å; Y84-Q86 HydrophobicContact CE1-CB 4.13Å; Y84-Q86 PolarHBondContact OH-OE1 2.85Å; Q86-T103 HydrophobicContact CG-CG2 4.25Å; Q86-T103 VanDerWaalsContact NE2-CB 3.3Å; Q86-T103 PolarHBondContact NE2-OG1 2.98Å; Q86-V104 WeakPolarHBondContact CA-O 3.02Å; Q86-Q105 HydrophobicContact CB-CG 4.26Å; Q86-Q105 HydrophobicContact CG-CG 3.72Å; Q86-Q105 VanDerWaalsContact NE2-NE2 3.12Å
87A88Confident80.9Confident26 Ų2649.9 Ų49.922%0.21529%0.294CS..EExtended strand (participates in β ladder)trans-139.4157.8174.700000110.9Y92 T103 V104 F132A87-Y92 HydrophobicContact CB-CE2 4.28Å; A87-T103 CarbonylContact O-C 3.44Å; A87-T103 WeakPolarHBondContact O-CA 2.96Å; A87-T103 WeakPolarHBondContact O-CB 3.28Å; A87-V104 PolarHBondContact N-O 3.2Å; A87-V104 PolarHBondContact O-N 2.96Å; A87-F132 HydrophobicContact CB-CD1 3.66Å; A87-F132 HydrophobicContact CB-CE1 3.74Å
88D85.3Confident79.3Confident90 Ų9054.7 Ų54.748%0.48131%0.314SS..EExtended strand (participates in β ladder)trans-63.5133.2174.5-172.2-21.8000110.6A90 S91 N102D88-A90 PolarHBondContact O-N 2.84Å; D88-A90 VanDerWaalsContact OD1-CB 3.3Å; D88-A90 WeakPolarHBondContact OD1-CB 3.42Å; D88-A90 PolarHBondContact OD1-N 3.34Å; D88-S91 WeakPolarHBondContact O-CB 3.37Å; D88-S91 PolarHBondContact O-N 2.95Å; D88-S91 VanDerWaalsContact O-N 3.1Å; D88-S91 PolarHBondContact O-OG 2.86Å; D88-N102 WeakPolarHBondContact CA-O 3.28Å; D88-N102 VanDerWaalsContact OD1-O 3.12Å
89S79.7Confident77.7Confident32 Ų3257.6 Ų57.622%0.22433%0.329CS..G310 helixtrans-63.1-28.4176.562.50000112.5S91 Y92 R101 N102S89-S91 PolarHBondContact O-N 3.5Å; S89-S91 VanDerWaalsContact O-N 3.16Å; S89-Y92 PolarHBondContact O-N 2.7Å; S89-R101 PolarHBondContact OG-O 3.18Å; S89-N102 PolarHBondContact N-O 3.35Å; S89-N102 WeakPolarHBondContact OG-CA 3.49Å; S89-N102 PolarHBondContact OG-O 2.92Å
90A76.2Confident76Confident84 Ų8461.1 Ų61.169%0.69435%0.352SS*.G310 helixtrans-63-17.4175.300000113.1D88 Y92D88-A90 PolarHBondContact O-N 2.84Å; D88-A90 VanDerWaalsContact OD1-CB 3.3Å; D88-A90 WeakPolarHBondContact OD1-CB 3.42Å; D88-A90 PolarHBondContact OD1-N 3.34Å; A90-Y92 VanDerWaalsContact C-N 3.27Å; A90-Y92 PolarHBondContact O-N 3.07Å
91S73.2Confident74.6Confident52 Ų5267 Ų6736%0.36437%0.374SS..G310 helixtrans-75.6-12.2173.373.20000113.7D88 S89 K135D88-S91 WeakPolarHBondContact O-CB 3.37Å; D88-S91 PolarHBondContact O-N 2.95Å; D88-S91 VanDerWaalsContact O-N 3.1Å; D88-S91 PolarHBondContact O-OG 2.86Å; S89-S91 PolarHBondContact O-N 3.5Å; S89-S91 VanDerWaalsContact O-N 3.16Å; S91-K135 WeakPolarHBondContact O-CE 3.07Å; S91-K135 PolarHBondContact O-NZ 2.68Å
92Y66.3Low73.7Confident37 Ų3773.2 Ų73.215%0.14541%0.407CS..SBendtrans-93.3130.9-178.7-67.1-97.6000111.2A87 S89 A90 Q94 V104 F132A87-Y92 HydrophobicContact CB-CE2 4.28Å; S89-Y92 PolarHBondContact O-N 2.7Å; A90-Y92 VanDerWaalsContact C-N 3.27Å; A90-Y92 PolarHBondContact O-N 3.07Å; Y92-Q94 PolarHBondContact O-N 2.72Å; Y92-V104 HydrophobicContact CD2-CB 4.34Å; Y92-V104 HydrophobicContact CD2-CG2 3.69Å; Y92-V104 HydrophobicContact CE1-CG1 4.49Å; Y92-V104 HydrophobicContact CE2-CB 3.62Å; Y92-V104 HydrophobicContact CE2-CG1 4.2Å; Y92-V104 HydrophobicContact CE2-CG2 3.49Å; Y92-V104 VanDerWaalsContact CE2-CG2 3.49Å; Y92-V104 HydrophobicContact CG-CG2 4.32Å; Y92-F132 WeakPolarHBondContact OH-CD1 3.39Å; Y92-F132 WeakPolarHBondContact OH-CE1 3.36Å
93V55.2Low73Confident122 Ų12275.5 Ų75.574%0.73942%0.421SS*.SBendtrans-71.5-17.1-167.6-178.70000113.1K135V93-K135 HydrophobicContact CG2-CD 4.09Å
94Q53.4Low72.6Confident160 Ų16076 Ų7675%0.74842%0.424SS*.SBendtrans-130.7124172.7-66-178.3-2.100109Y92 N96Y92-Q94 PolarHBondContact O-N 2.72Å; Q94-N96 VanDerWaalsContact C-N 3.35Å; Q94-N96 PolarHBondContact O-N 2.95Å
95P53.4Low72.4Confident120 Ų12076.4 Ų76.478%0.77943%0.426SS*.  trans-69.996.2166.529.2-31.5000107.9
96N57.7Low72.4Confident79 Ų7975 Ų7542%0.42242%0.422SS..  trans-55.4124163.6171.9-5.9000106.8Q94 E98 I99Q94-N96 VanDerWaalsContact C-N 3.35Å; Q94-N96 PolarHBondContact O-N 2.95Å; N96-E98 PolarHBondContact O-N 3.33Å; N96-E98 PolarHBondContact OD1-N 2.87Å; N96-I99 HydrophobicContact CB-CD1 3.84Å; N96-I99 HydrophobicContact CB-CG1 4.05Å; N96-I99 WeakPolarHBondContact O-CB 3.3Å; N96-I99 PolarHBondContact O-N 3.28Å
97P57.8Low72.7Confident123 Ų12373.1 Ų73.180%0.79941%0.413SS*.THydrogen-bonded Turntrans-59.1-16.3-173.222.2-34.6000114.5
98E60.2Low73.1Confident109 Ų10971.9 Ų71.951%0.50940%0.402SS..THydrogen-bonded Turntrans-76.8-18173.2-58.7-165.1145.200114N96 T100N96-E98 PolarHBondContact O-N 3.33Å; N96-E98 PolarHBondContact OD1-N 2.87Å; E98-T100 PolarHBondContact O-N 3.34Å
99I59.4Low73.7Confident64 Ų6467.6 Ų67.633%0.32838%0.38SS..  trans-81.182.2178.8-55.4174000109.1N96 R101 V104N96-I99 HydrophobicContact CB-CD1 3.84Å; N96-I99 HydrophobicContact CB-CG1 4.05Å; N96-I99 WeakPolarHBondContact O-CB 3.3Å; N96-I99 PolarHBondContact O-N 3.28Å; I99-R101 VanDerWaalsContact C-N 3.34Å; I99-R101 WeakPolarHBondContact CG2-O 3.39Å; I99-V104 HydrophobicContact CD1-CG2 4.02Å; I99-V104 HydrophobicContact CG2-CG2 4.26Å
100T60Low74.6Confident83 Ų8366 Ų6651%0.50937%0.369SS..  trans-84.6-3.4179.660.90000114.5H17 E98H17-T100 PolarHBondContact CD2-OG1 2.96Å; H17-T100 VanDerWaalsContact CD2-OG1 3.28Å; H17-T100 PolarHBondContact CE1-OG1 3.16Å; H17-T100 VanDerWaalsContact CG-OG1 3.26Å; H17-T100 PolarHBondContact ND1-OG1 3.17Å; H17-T100 VanDerWaalsContact ND1-OG1 3.13Å; H17-T100 PolarHBondContact NE2-OG1 3.44Å; E98-T100 PolarHBondContact O-N 3.34Å
101R67.6Low75.5Confident123 Ų12362 Ų6246%0.46434%0.336SS..SBendtrans-116.3148.1-178.4-69.6-174.8174.9-176.2-0.5110.9S89 I99 T103S89-R101 PolarHBondContact OG-O 3.18Å; I99-R101 VanDerWaalsContact C-N 3.34Å; I99-R101 WeakPolarHBondContact CG2-O 3.39Å; R101-T103 PolarHBondContact O-N 3.46Å
102N79.6Confident76.6Confident132 Ų13259.6 Ų59.671%0.70632%0.319SS*.SBendtrans-62.67.2178.1-58.319.1000115.1D88 S89D88-N102 WeakPolarHBondContact CA-O 3.28Å; D88-N102 VanDerWaalsContact OD1-O 3.12Å; S89-N102 PolarHBondContact N-O 3.35Å; S89-N102 WeakPolarHBondContact OG-CA 3.49Å; S89-N102 PolarHBondContact OG-O 2.92Å
103T84Confident77.8Confident47 Ų4761.7 Ų61.729%0.28833%0.326SS..EExtended strand (participates in β ladder)trans-147.8137.3-178.555.10000111.3Q86 A87 R101Q86-T103 HydrophobicContact CG-CG2 4.25Å; Q86-T103 VanDerWaalsContact NE2-CB 3.3Å; Q86-T103 PolarHBondContact NE2-OG1 2.98Å; A87-T103 CarbonylContact O-C 3.44Å; A87-T103 WeakPolarHBondContact O-CA 2.96Å; A87-T103 WeakPolarHBondContact O-CB 3.28Å; R101-T103 PolarHBondContact O-N 3.46Å
104V86.9Confident79.6Confident12 Ų1258.3 Ų58.37%0.07330%0.302CS..EExtended strand (participates in β ladder)trans-91.7130.1170.1176.90000108.4Q86 A87 Y92 I99 K106Q86-V104 WeakPolarHBondContact CA-O 3.02Å; A87-V104 PolarHBondContact N-O 3.2Å; A87-V104 PolarHBondContact O-N 2.96Å; Y92-V104 HydrophobicContact CD2-CB 4.34Å; Y92-V104 HydrophobicContact CD2-CG2 3.69Å; Y92-V104 HydrophobicContact CE1-CG1 4.49Å; Y92-V104 HydrophobicContact CE2-CB 3.62Å; Y92-V104 HydrophobicContact CE2-CG1 4.2Å; Y92-V104 HydrophobicContact CE2-CG2 3.49Å; Y92-V104 VanDerWaalsContact CE2-CG2 3.49Å; Y92-V104 HydrophobicContact CG-CG2 4.32Å; I99-V104 HydrophobicContact CD1-CG2 4.02Å; I99-V104 HydrophobicContact CG2-CG2 4.26Å; V104-K106 HydrophobicContact CG1-CD 4.31Å; V104-K106 HydrophobicContact CG1-CG 4.15Å
105Q92.3Very high81.5Confident15 Ų1551 Ų517%0.0727%0.268CS..EExtended strand (participates in β ladder)trans-123.9119.4-177.4-69.6-178.5-24.700108.2F15 H57 Y84 Q86F15-Q105 HydrophobicContact CB-CB 3.88Å; F15-Q105 PolarHBondContact N-O 3.43Å; H57-Q105 VanDerWaalsContact CB-NE2 3.32Å; Y84-Q105 HydrophobicContact CE2-CB 4.02Å; Y84-Q105 HydrophobicContact CE2-CG 4.42Å; Y84-Q105 VanDerWaalsContact OH-CD 3.23Å; Y84-Q105 VanDerWaalsContact OH-CG 3.27Å; Y84-Q105 WeakPolarHBondContact OH-CG 3.19Å; Y84-Q105 PolarHBondContact OH-NE2 3.48Å; Y84-Q105 VanDerWaalsContact OH-NE2 3.12Å; Q86-Q105 HydrophobicContact CB-CG 4.26Å; Q86-Q105 HydrophobicContact CG-CG 3.72Å; Q86-Q105 VanDerWaalsContact NE2-NE2 3.12Å
106K94.5Very high83.5Confident25 Ų2545.4 Ų45.411%0.10923%0.232CC..EExtended strand (participates in β ladder)trans-139.1153.3178.4-62.3179.9-174.3-75.10110.6L12 I13 E24 R85 V104 F132 F137L12-K106 HydrophobicContact CD1-CB 4.36Å; L12-K106 HydrophobicContact CD1-CD 4.36Å; I13-K106 CarbonylContact O-C 3.48Å; I13-K106 VanDerWaalsContact O-CA 3.27Å; I13-K106 WeakPolarHBondContact O-CA 3.27Å; E24-K106 IonicContact OE1-NZ 3.56Å; E24-K106 PolarHBondContact OE1-NZ 3.38Å; E24-K106 IonicContact OE2-NZ 2.62Å; E24-K106 PolarHBondContact OE2-NZ 3.48Å; R85-K106 PolarHBondContact N-O 3.16Å; R85-K106 PolarHBondContact O-N 2.91Å; R85-K106 VanDerWaalsContact O-O 3.11Å; V104-K106 HydrophobicContact CG1-CD 4.31Å; V104-K106 HydrophobicContact CG1-CG 4.15Å; K106-F132 HydrophobicContact CB-CE2 4.14Å; K106-F132 HydrophobicContact CB-CZ 3.95Å; K106-F132 HydrophobicContact CD-CZ 4.49Å; K106-F132 HydrophobicContact CG-CZ 4.38Å; K106-F137 HydrophobicContact CD-CD1 4.2Å; K106-F137 HydrophobicContact CD-CD2 4Å; K106-F137 HydrophobicContact CD-CE1 3.95Å; K106-F137 HydrophobicContact CD-CE2 3.76Å; K106-F137 HydrophobicContact CD-CG 4.22Å; K106-F137 HydrophobicContact CD-CZ 3.73Å
107S96.4Very high85.3Confident0 Ų041.8 Ų41.80%021%0.212CC..EExtended strand (participates in β ladder)trans-129.4132.3173.2-168.70000109I13 A51 C83I13-S107 PolarHBondContact N-O 3.24Å; I13-S107 PolarHBondContact O-N 3.47Å; A51-S107 WeakPolarHBondContact O-CB 3.21Å; A51-S107 PolarHBondContact O-OG 3.1Å; C83-S107 WeakPolarHBondContact O-CA 3.48Å; C83-S107 PolarHBondContact O-OG 3.22Å
108L97.2Very high87Confident0 Ų036.3 Ų36.30%018%0.177CC..EExtended strand (participates in β ladder)trans-101.5124.6173.8-172.365.7000107.6L10 L12 C83 L124 I127 I128 L131 L142L10-L108 HydrophobicContact CD1-CD1 3.9Å; L10-L108 HydrophobicContact CD1-CD2 4.21Å; L10-L108 HydrophobicContact CD1-CG 3.83Å; L10-L108 HydrophobicContact CD2-CD1 4.29Å; L10-L108 HydrophobicContact CG-CD1 3.9Å; L10-L108 HydrophobicContact CG-CG 4.38Å; L12-L108 HydrophobicContact CD1-CD1 4.27Å; C83-L108 PolarHBondContact N-O 3.3Å; C83-L108 PolarHBondContact O-N 3.12Å; L108-L124 HydrophobicContact CB-CD1 4.48Å; L108-L124 HydrophobicContact CD2-CD1 3.53Å; L108-L124 HydrophobicContact CD2-CG 4.29Å; L108-L124 HydrophobicContact CG-CD1 3.81Å; L108-L124 HydrophobicContact CG-CG 4.48Å; L108-L124 WeakPolarHBondContact O-CD2 3.29Å; L108-I127 HydrophobicContact CD2-CG2 3.76Å; L108-I128 HydrophobicContact CB-CB 4.31Å; L108-I128 HydrophobicContact CB-CD1 3.81Å; L108-I128 HydrophobicContact CB-CG1 4.26Å; L108-I128 HydrophobicContact CD2-CB 4.24Å; L108-L131 HydrophobicContact CD2-CD1 4.11Å; L108-L142 HydrophobicContact CD1-CD1 3.63Å
109V97.7Very high88.6Confident0 Ų032.2 Ų32.20%016%0.157CC..EExtended strand (participates in β ladder)trans-120.6130.9-168.1-1720000110.7L10 I11 I13 L47 A51 F66 I81 A82L10-V109 CarbonylContact C-O 3.44Å; L10-V109 WeakPolarHBondContact CA-O 3.45Å; I11-V109 HydrophobicContact CB-CB 4.26Å; I11-V109 PolarHBondContact N-O 3.02Å; I11-V109 PolarHBondContact O-N 2.78Å; I13-V109 HydrophobicContact CD1-CG2 3.88Å; L47-V109 HydrophobicContact CD2-CG1 4.17Å; A51-V109 HydrophobicContact CB-CG2 3.52Å; F66-V109 HydrophobicContact CE1-CG1 4.23Å; F66-V109 HydrophobicContact CZ-CG1 3.76Å; I81-V109 CarbonylContact O-C 3.57Å; I81-V109 VanDerWaalsContact O-CA 3.26Å; I81-V109 WeakPolarHBondContact O-CA 3.44Å; A82-V109 HydrophobicContact CB-CB 4.43Å; A82-V109 HydrophobicContact CB-CG1 4.23Å; A82-V109 HydrophobicContact CB-CG2 3.77Å
110V97.3Very high90.4Very high0 Ų029.1 Ų29.10%014%0.142CC..EExtended strand (participates in β ladder)trans-111130.9175.9179.60000108.5I7 L10 G80 I81 I120 L124 L149I7-V110 HydrophobicContact CD1-CG1 4.49Å; I7-V110 HydrophobicContact CG2-CG1 3.77Å; L10-V110 HydrophobicContact CD1-CG2 3.58Å; G80-V110 WeakPolarHBondContact CA-O 3.31Å; I81-V110 HydrophobicContact CB-CB 4.4Å; I81-V110 PolarHBondContact N-O 2.94Å; I81-V110 PolarHBondContact O-N 3.24Å; V110-I120 HydrophobicContact CB-CG2 4.01Å; V110-I120 HydrophobicContact CG1-CG2 3.94Å; V110-I120 HydrophobicContact CG2-CG2 3.97Å; V110-L124 HydrophobicContact CB-CD2 4.43Å; V110-L124 HydrophobicContact CG2-CD1 3.46Å; V110-L124 VanDerWaalsContact CG2-CD1 3.46Å; V110-L124 HydrophobicContact CG2-CD2 3.56Å; V110-L124 HydrophobicContact CG2-CG 4.1Å; V110-L149 HydrophobicContact CB-CD2 4.43Å; V110-L149 HydrophobicContact CG1-CD2 4.11Å; V110-L149 HydrophobicContact CG2-CD2 3.4Å; V110-L149 VanDerWaalsContact CG2-CD2 3.4Å
111L96.2Very high92.2Very high0 Ų025.4 Ų25.40%012%0.119CC..EExtended strand (participates in β ladder)trans-104.3123.5165.1-61-173.2000108.8I7 L8 S9 I11 W44 L47 F66 L68 V78I7-L111 WeakPolarHBondContact CG2-O 3.19Å; L8-L111 HydrophobicContact CB-CB 4.14Å; L8-L111 WeakPolarHBondContact CB-O 3.36Å; L8-L111 PolarHBondContact N-O 2.95Å; S9-L111 PolarHBondContact O-N 3.39Å; I11-L111 HydrophobicContact CD1-CD1 4.11Å; I11-L111 HydrophobicContact CD1-CG 4.34Å; W44-L111 HydrophobicContact CD2-CD1 4.12Å; W44-L111 HydrophobicContact CE3-CD1 3.58Å; W44-L111 HydrophobicContact CH2-CD1 3.71Å; W44-L111 HydrophobicContact CZ2-CD1 4.22Å; W44-L111 HydrophobicContact CZ3-CD1 3.36Å; L47-L111 HydrophobicContact CD1-CD1 3.87Å; L47-L111 HydrophobicContact CD1-CD2 4.04Å; L47-L111 HydrophobicContact CD1-CG 4.32Å; F66-L111 HydrophobicContact CE2-CD2 4.22Å; F66-L111 HydrophobicContact CZ-CD2 4.41Å; L68-L111 HydrophobicContact CD1-CD2 4Å; V78-L111 HydrophobicContact CG1-CB 3.86Å; V78-L111 HydrophobicContact CG1-CD2 4.22Å; V78-L111 HydrophobicContact CG1-CG 4.42Å
112S94.9Very high93.4Very high0 Ų021.7 Ų21.70%011%0.107CC..EExtended strand (participates in β ladder)trans-123.7144.3-173.6178.20000111.3F79 F114F79-S112 PolarHBondContact N-O 2.81Å; F79-S112 PolarHBondContact O-N 3.01Å; S112-F114 VanDerWaalsContact C-N 3.27Å; S112-F114 WeakPolarHBondContact CB-O 3.13Å; S112-F114 PolarHBondContact OG-N 3.21Å; S112-F114 PolarHBondContact OG-O 3.16Å
113R91.7Very high94.2Very high81 Ų8117 Ų1731%0.3068%0.081SC..SBendtrans-74.3-19.3167.9-69.8-176.5170.3114-11.9112.4N5 S6 L8 E72 F79N5-R113 PolarHBondContact O-NH1 3.29Å; S6-R113 PolarHBondContact O-N 3.49Å; S6-R113 VanDerWaalsContact O-N 3.11Å; L8-R113 HydrophobicContact CD1-CG 4.23Å; L8-R113 HydrophobicContact CD2-CG 3.88Å; L8-R113 VanDerWaalsContact CD2-CZ 3.41Å; L8-R113 HydrophobicContact CG-CG 3.97Å; E72-R113 IonicContact OE1-CZ 2.84Å; E72-R113 IonicContact OE1-NH2 3.27Å; E72-R113 PolarHBondContact OE1-NH2 3.32Å; E72-R113 IonicContact OE2-CZ 3.97Å; E72-R113 VanDerWaalsContact OE2-CZ 3.25Å; E72-R113 IonicContact OE2-NE 3.4Å; E72-R113 PolarHBondContact OE2-NE 3.11Å; E72-R113 VanDerWaalsContact OE2-NE 3.08Å; E72-R113 IonicContact OE2-NH2 2.8Å; E72-R113 PolarHBondContact OE2-NH2 3.38Å; F79-R113 WeakPolarHBondContact CE2-O 3.3Å
114F93.1Very high94.8Very high52 Ų5214.7 Ų14.723%0.2287%0.067CC..SBendtrans-115.8138.7-177.1-58.8-81.4000111.9F79 S112 L116 L157 Y163F79-F114 VanDerWaalsContact CD2-C 3.42Å; S112-F114 VanDerWaalsContact C-N 3.27Å; S112-F114 WeakPolarHBondContact CB-O 3.13Å; S112-F114 PolarHBondContact OG-N 3.21Å; S112-F114 PolarHBondContact OG-O 3.16Å; F114-L116 HydrophobicContact CB-CD1 4.3Å; F114-L116 HydrophobicContact CB-CG 4.2Å; F114-L116 PolarHBondContact O-N 3.48Å; F114-L157 HydrophobicContact CD1-CD2 3.86Å; F114-L157 HydrophobicContact CD2-CD1 3.56Å; F114-L157 HydrophobicContact CD2-CD2 4Å; F114-L157 HydrophobicContact CD2-CG 4.45Å; F114-L157 HydrophobicContact CE1-CD2 4.01Å; F114-L157 HydrophobicContact CE2-CD1 3.52Å; F114-L157 HydrophobicContact CE2-CD2 4.15Å; F114-L157 HydrophobicContact CG-CD1 4.24Å; F114-L157 HydrophobicContact CG-CD2 3.85Å; F114-L157 HydrophobicContact CZ-CD1 4.18Å; F114-L157 HydrophobicContact CZ-CD2 4.15Å; F114-Y163 HydrophobicContact CD1-CE2 4.46Å
115P94.1Very high95.1Very high7 Ų715 Ų155%0.0457%0.068CC..  trans-80.345.3-173.830.7-31.5000113.3F79 F117 L167 L222F79-P115 HydrophobicContact CD1-CB 4Å; F79-P115 HydrophobicContact CD2-CB 3.79Å; F79-P115 HydrophobicContact CD2-CG 4.28Å; F79-P115 HydrophobicContact CE1-CB 4.06Å; F79-P115 HydrophobicContact CE2-CB 3.85Å; F79-P115 HydrophobicContact CE2-CG 3.96Å; F79-P115 HydrophobicContact CG-CB 3.85Å; F79-P115 HydrophobicContact CZ-CB 3.97Å; F79-P115 HydrophobicContact CZ-CG 4.18Å; P115-F117 HydrophobicContact CB-CD2 4.01Å; P115-F117 HydrophobicContact CB-CE2 3.53Å; P115-F117 HydrophobicContact CB-CZ 4.29Å; P115-F117 WeakPolarHBondContact O-CD2 3.32Å; P115-F117 PolarHBondContact O-N 2.93Å; P115-L167 HydrophobicContact CG-CD2 4.08Å; P115-L222 WeakPolarHBondContact CG-O 3.26Å
116L94.6Very high95.3Very high1 Ų117.2 Ų17.21%0.0058%0.083CC..  trans-80.743.3179.3-65.2175.8000112.1F114 S118 F119 I120 V153 V156 Y163 A166 L167F114-L116 HydrophobicContact CB-CD1 4.3Å; F114-L116 HydrophobicContact CB-CG 4.2Å; F114-L116 PolarHBondContact O-N 3.48Å; L116-S118 PolarHBondContact O-N 3.24Å; L116-F119 HydrophobicContact CB-CB 4.46Å; L116-F119 PolarHBondContact O-N 2.69Å; L116-I120 HydrophobicContact CB-CD1 3.94Å; L116-I120 HydrophobicContact CB-CG1 4.08Å; L116-I120 WeakPolarHBondContact O-CB 3.4Å; L116-I120 WeakPolarHBondContact O-CG1 3.3Å; L116-I120 PolarHBondContact O-N 3.11Å; L116-V153 HydrophobicContact CD1-CG1 4.11Å; L116-V156 HydrophobicContact CD1-CG1 4.2Å; L116-Y163 HydrophobicContact CD1-CD2 4.41Å; L116-Y163 HydrophobicContact CD1-CE2 4.3Å; L116-Y163 HydrophobicContact CD2-CD2 3.91Å; L116-Y163 HydrophobicContact CD2-CE2 3.75Å; L116-Y163 HydrophobicContact CG-CE2 4.15Å; L116-A166 HydrophobicContact CD2-CB 3.79Å; L116-L167 HydrophobicContact CD2-CD2 4.02Å; L116-L167 HydrophobicContact CD2-CG 4.03Å
117F96.2Very high95.3Very high4 Ų416.3 Ų16.32%0.0188%0.079CC..Hα-helixtrans-50-64.2-165.8-65-82.8000114.1Y65 F79 I81 P115 F119 I120 A121 L212 L226 L375Y65-F117 HydrophobicContact CD1-CB 4.02Å; Y65-F117 HydrophobicContact CD1-CD1 4.16Å; Y65-F117 HydrophobicContact CD2-CB 4.09Å; Y65-F117 HydrophobicContact CE1-CB 4.18Å; Y65-F117 HydrophobicContact CE2-CB 4.2Å; Y65-F117 HydrophobicContact CG-CB 3.99Å; Y65-F117 AromaticContact CG-CD1 3.9Å; Y65-F117 HydrophobicContact CG-CD1 3.9Å; Y65-F117 HydrophobicContact CG-CG 4.23Å; F79-F117 HydrophobicContact CB-CE1 3.79Å; F79-F117 HydrophobicContact CB-CZ 3.82Å; F79-F117 HydrophobicContact CD1-CE1 4.27Å; F79-F117 HydrophobicContact CD1-CE2 4.15Å; F79-F117 AromaticContact CD1-CZ 3.5Å; F79-F117 HydrophobicContact CD1-CZ 3.5Å; F79-F117 HydrophobicContact CE1-CZ 4.43Å; F79-F117 HydrophobicContact CG-CE1 4.43Å; F79-F117 AromaticContact CG-CZ 3.95Å; F79-F117 HydrophobicContact CG-CZ 3.95Å; I81-F117 HydrophobicContact CD1-CD1 4.14Å; I81-F117 HydrophobicContact CG1-CB 4.43Å; I81-F117 HydrophobicContact CG1-CD1 4.06Å; P115-F117 HydrophobicContact CB-CD2 4.01Å; P115-F117 HydrophobicContact CB-CE2 3.53Å; P115-F117 HydrophobicContact CB-CZ 4.29Å; P115-F117 WeakPolarHBondContact O-CD2 3.32Å; P115-F117 PolarHBondContact O-N 2.93Å; F117-F119 VanDerWaalsContact C-N 3.35Å; F117-F119 PolarHBondContact O-N 3.3Å; F117-I120 PolarHBondContact O-N 3.05Å; F117-A121 WeakPolarHBondContact O-CB 3.36Å; F117-A121 PolarHBondContact O-N 3.4Å; F117-L212 HydrophobicContact CB-CD1 3.57Å; F117-L212 HydrophobicContact CD1-CD1 4.45Å; F117-L212 HydrophobicContact CD2-CD1 3.52Å; F117-L212 HydrophobicContact CD2-CD2 3.68Å; F117-L212 HydrophobicContact CD2-CG 4.27Å; F117-L212 HydrophobicContact CE2-CD1 4.25Å; F117-L212 HydrophobicContact CE2-CD2 3.65Å; F117-L212 HydrophobicContact CG-CD1 3.62Å; F117-L212 HydrophobicContact CZ-CD2 4.47Å; F117-L226 HydrophobicContact CE2-CD1 4.46Å; F117-L375 HydrophobicContact CD1-CD1 4.33Å; F117-L375 HydrophobicContact CE1-CD1 3.67Å; F117-L375 HydrophobicContact CE2-CD1 3.92Å; F117-L375 HydrophobicContact CZ-CD1 3.41Å; F117-L375 VanDerWaalsContact CZ-CD1 3.41Å
118S93.2Very high95.2Very high8 Ų816.4 Ų16.46%0.0568%0.08CC..Hα-helixtrans-71.7-28-175.1-69.30000113.2Y65 L116 H122 Y169 N209Y65-S118 WeakPolarHBondContact OH-CA 3.06Å; Y65-S118 PolarHBondContact OH-OG 2.98Å; L116-S118 PolarHBondContact O-N 3.24Å; S118-H122 PolarHBondContact O-N 3.4Å; S118-H122 VanDerWaalsContact O-N 3.15Å; S118-Y169 WeakPolarHBondContact CB-O 3.3Å; S118-N209 PolarHBondContact OG-OD1 3.26Å
119F94.8Very high95Very high22 Ų2217.5 Ų17.510%0.0969%0.086CC..Hα-helixtrans-67.2-50172.4176.8-98.5000111.1L116 F117 A121 H122 H123 V156 A166 Y169L116-F119 HydrophobicContact CB-CB 4.46Å; L116-F119 PolarHBondContact O-N 2.69Å; F117-F119 VanDerWaalsContact C-N 3.35Å; F117-F119 PolarHBondContact O-N 3.3Å; F119-A121 VanDerWaalsContact C-N 3.34Å; F119-A121 PolarHBondContact O-N 3.16Å; F119-H122 WeakPolarHBondContact O-CB 3.4Å; F119-H122 PolarHBondContact O-N 2.97Å; F119-H123 AromaticContact CE1-CD2 3.94Å; F119-H123 AromaticContact CE2-NE2 3.51Å; F119-H123 AromaticContact CZ-CD2 3.72Å; F119-H123 AromaticContact CZ-NE2 3.36Å; F119-H123 WeakPolarHBondContact CZ-NE2 3.37Å; F119-H123 PolarHBondContact O-CD2 3.2Å; F119-H123 PolarHBondContact O-N 2.89Å; F119-V156 HydrophobicContact CE1-CB 4.43Å; F119-V156 HydrophobicContact CE1-CG2 3.81Å; F119-V156 HydrophobicContact CE2-CG2 4.01Å; F119-V156 HydrophobicContact CZ-CG2 3.45Å; F119-V156 VanDerWaalsContact CZ-CG2 3.45Å; F119-A166 HydrophobicContact CB-CB 4.21Å; F119-A166 HydrophobicContact CD1-CB 4.39Å; F119-A166 HydrophobicContact CD2-CB 4.02Å; F119-A166 HydrophobicContact CG-CB 3.93Å; F119-Y169 HydrophobicContact CB-CD1 4.45Å; F119-Y169 HydrophobicContact CB-CG 4.35Å; F119-Y169 HydrophobicContact CD2-CD2 4.44Å; F119-Y169 HydrophobicContact CD2-CG 4.42Å
120I96.8Very high94.8Very high0 Ų021.5 Ų21.50%011%0.107CC..Hα-helixtrans-59.9-45.3175.1-71.3171.3000110.2I81 V110 L116 F117 H122 H123 L124 L149 V153I81-I120 HydrophobicContact CB-CG2 4.18Å; I81-I120 HydrophobicContact CD1-CB 4.3Å; I81-I120 HydrophobicContact CD1-CD1 4.04Å; I81-I120 HydrophobicContact CD1-CG2 4.09Å; I81-I120 HydrophobicContact CG1-CB 4.23Å; I81-I120 HydrophobicContact CG1-CG2 4.03Å; I81-I120 HydrophobicContact CG2-CG2 4.32Å; V110-I120 HydrophobicContact CB-CG2 4.01Å; V110-I120 HydrophobicContact CG1-CG2 3.94Å; V110-I120 HydrophobicContact CG2-CG2 3.97Å; L116-I120 HydrophobicContact CB-CD1 3.94Å; L116-I120 HydrophobicContact CB-CG1 4.08Å; L116-I120 WeakPolarHBondContact O-CB 3.4Å; L116-I120 WeakPolarHBondContact O-CG1 3.3Å; L116-I120 PolarHBondContact O-N 3.11Å; F117-I120 PolarHBondContact O-N 3.05Å; I120-H122 VanDerWaalsContact C-N 3.3Å; I120-H122 PolarHBondContact O-N 3.35Å; I120-H123 PolarHBondContact O-N 2.96Å; I120-L124 WeakPolarHBondContact O-CB 3.46Å; I120-L124 PolarHBondContact O-N 3.14Å; I120-L149 HydrophobicContact CG2-CD2 4.33Å; I120-V153 HydrophobicContact CD1-CG2 4.14Å; I120-V153 HydrophobicContact CG1-CG2 3.87Å
121A96.4Very high94.6Very high5 Ų522 Ų224%0.04111%0.11CC..Hα-helixtrans-59.6-34.9179.100000114C63 Y65 I81 F117 F119 T125C63-A121 HydrophobicContact CB-CB 4.38Å; Y65-A121 HydrophobicContact CE1-CB 3.88Å; I81-A121 HydrophobicContact CG2-CB 3.83Å; F117-A121 WeakPolarHBondContact O-CB 3.36Å; F117-A121 PolarHBondContact O-N 3.4Å; F119-A121 VanDerWaalsContact C-N 3.34Å; F119-A121 PolarHBondContact O-N 3.16Å; A121-T125 VanDerWaalsContact O-CB 3.25Å; A121-T125 WeakPolarHBondContact O-CB 3.47Å; A121-T125 PolarHBondContact O-N 2.7Å; A121-T125 PolarHBondContact O-OG1 3.37Å
122H94Very high94.4Very high44 Ų4423.1 Ų23.120%0.20412%0.115CC..Hα-helixtrans-60.7-50.2175.2174.179.6000111.9S118 F119 I120 T126 Y169 Y452S118-H122 PolarHBondContact O-N 3.4Å; S118-H122 VanDerWaalsContact O-N 3.15Å; F119-H122 WeakPolarHBondContact O-CB 3.4Å; F119-H122 PolarHBondContact O-N 2.97Å; I120-H122 VanDerWaalsContact C-N 3.3Å; I120-H122 PolarHBondContact O-N 3.35Å; H122-T126 PolarHBondContact O-N 2.95Å; H122-T126 PolarHBondContact O-OG1 2.9Å; H122-Y169 HydrophobicContact CB-CE1 3.75Å; H122-Y169 PolarHBondContact CE1-OH 3.38Å; H122-Y169 PolarHBondContact ND1-OH 2.85Å; H122-Y452 AromaticContact CE1-CD1 3.62Å; H122-Y452 AromaticContact CE1-CE1 3.35Å; H122-Y452 WeakPolarHBondContact CE1-CE1 3.27Å; H122-Y452 AromaticContact CE1-CZ 3.71Å; H122-Y452 AromaticContact ND1-CD1 3.41Å; H122-Y452 WeakPolarHBondContact ND1-CD1 3.48Å; H122-Y452 AromaticContact ND1-CE1 3.58Å
123H95.3Very high94.1Very high33 Ų3330.2 Ų30.215%0.15315%0.146CC..Hα-helixtrans-67.5-43.8176.6-68.7-73.6000111.8F119 I120 T125 T126 I127 L149 F152F119-H123 AromaticContact CE1-CD2 3.94Å; F119-H123 AromaticContact CE2-NE2 3.51Å; F119-H123 AromaticContact CZ-CD2 3.72Å; F119-H123 AromaticContact CZ-NE2 3.36Å; F119-H123 WeakPolarHBondContact CZ-NE2 3.37Å; F119-H123 PolarHBondContact O-CD2 3.2Å; F119-H123 PolarHBondContact O-N 2.89Å; I120-H123 PolarHBondContact O-N 2.96Å; H123-T125 VanDerWaalsContact C-N 3.33Å; H123-T125 PolarHBondContact O-N 3.37Å; H123-T126 WeakPolarHBondContact O-CB 3.47Å; H123-T126 PolarHBondContact O-N 3.13Å; H123-I127 WeakPolarHBondContact O-CG1 3.37Å; H123-I127 PolarHBondContact O-N 2.77Å; H123-L149 HydrophobicContact CB-CD1 3.65Å; H123-F152 HydrophobicContact CB-CD2 4.03Å; H123-F152 HydrophobicContact CB-CE2 4.38Å; H123-F152 AromaticContact CE1-CD1 3.76Å; H123-F152 AromaticContact CE1-CD2 3.93Å; H123-F152 AromaticContact CE1-CE1 3.91Å; H123-F152 AromaticContact CE1-CG 3.78Å; H123-F152 AromaticContact CG-CD2 3.66Å; H123-F152 AromaticContact ND1-CD2 3.38Å; H123-F152 WeakPolarHBondContact ND1-CD2 3.45Å; H123-F152 AromaticContact ND1-CE2 3.38Å; H123-F152 WeakPolarHBondContact ND1-CE2 3.33Å; H123-F152 AromaticContact ND1-CG 3.72Å; H123-F152 AromaticContact ND1-CZ 3.74Å
124L96.6Very high93.9Very high0 Ų030.2 Ų30.20%016%0.158CC..Hα-helixtrans-61.6-38.3-179.5-165.465.2000112.7L10 I81 C83 L108 V110 I120 T126 I127 I128 L149L10-L124 HydrophobicContact CD1-CD1 3.84Å; I81-L124 HydrophobicContact CG2-CD2 3.95Å; C83-L124 HydrophobicContact CB-CD2 4.01Å; C83-L124 HydrophobicContact CB-CG 4.22Å; L108-L124 HydrophobicContact CB-CD1 4.48Å; L108-L124 HydrophobicContact CD2-CD1 3.53Å; L108-L124 HydrophobicContact CD2-CG 4.29Å; L108-L124 HydrophobicContact CG-CD1 3.81Å; L108-L124 HydrophobicContact CG-CG 4.48Å; L108-L124 WeakPolarHBondContact O-CD2 3.29Å; V110-L124 HydrophobicContact CB-CD2 4.43Å; V110-L124 HydrophobicContact CG2-CD1 3.46Å; V110-L124 VanDerWaalsContact CG2-CD1 3.46Å; V110-L124 HydrophobicContact CG2-CD2 3.56Å; V110-L124 HydrophobicContact CG2-CG 4.1Å; I120-L124 WeakPolarHBondContact O-CB 3.46Å; I120-L124 PolarHBondContact O-N 3.14Å; L124-T126 VanDerWaalsContact C-N 3.29Å; L124-T126 PolarHBondContact O-N 3.21Å; L124-I127 PolarHBondContact O-N 3.11Å; L124-I128 WeakPolarHBondContact O-CG2 3.48Å; L124-I128 PolarHBondContact O-N 3.24Å; L124-L149 HydrophobicContact CD1-CD2 4.15Å
125T94.8Very high93.3Very high17 Ų1732.5 Ų32.510%0.10417%0.168CC..Hα-helixtrans-62.1-36.2174.5-62.90000111.9K61 C63 A121 H123 I128 D129K61-T125 HydrophobicContact CD-CG2 4.47Å; C63-T125 PolarHBondContact SG-OG1 3Å; C63-T125 VanDerWaalsContact SG-OG1 3.34Å; A121-T125 VanDerWaalsContact O-CB 3.25Å; A121-T125 WeakPolarHBondContact O-CB 3.47Å; A121-T125 PolarHBondContact O-N 2.7Å; A121-T125 PolarHBondContact O-OG1 3.37Å; H123-T125 VanDerWaalsContact C-N 3.33Å; H123-T125 PolarHBondContact O-N 3.37Å; T125-I128 WeakPolarHBondContact O-CG2 3.49Å; T125-D129 WeakPolarHBondContact O-CB 3.47Å; T125-D129 PolarHBondContact O-N 3.43Å; T125-D129 VanDerWaalsContact O-OD1 3.14Å
126T94.6Very high92.6Very high62 Ų6233.2 Ų33.238%0.3818%0.176SC..Hα-helixtrans-73.6-39.7177.1-59.40000111.2H122 H123 L124 D129 N130H122-T126 PolarHBondContact O-N 2.95Å; H122-T126 PolarHBondContact O-OG1 2.9Å; H123-T126 WeakPolarHBondContact O-CB 3.47Å; H123-T126 PolarHBondContact O-N 3.13Å; L124-T126 VanDerWaalsContact C-N 3.29Å; L124-T126 PolarHBondContact O-N 3.21Å; T126-D129 PolarHBondContact O-N 2.95Å; T126-N130 VanDerWaalsContact O-CG 3.3Å; T126-N130 PolarHBondContact O-N 3.01Å; T126-N130 PolarHBondContact O-ND2 3.33Å
127I95.7Very high92.3Very high6 Ų635 Ų353%0.03118%0.184CC..Hα-helixtrans-60.7-55176-70.7169.4000110.7L108 H123 L124 D129 N130 L131 S145 L149L108-I127 HydrophobicContact CD2-CG2 3.76Å; H123-I127 WeakPolarHBondContact O-CG1 3.37Å; H123-I127 PolarHBondContact O-N 2.77Å; L124-I127 PolarHBondContact O-N 3.11Å; I127-D129 PolarHBondContact O-N 2.66Å; I127-N130 PolarHBondContact O-N 2.98Å; I127-L131 HydrophobicContact CG2-CD1 4.15Å; I127-L131 WeakPolarHBondContact O-CG 3.47Å; I127-L131 PolarHBondContact O-N 3.18Å; I127-S145 WeakPolarHBondContact CG2-OG 3.45Å; I127-L149 HydrophobicContact CD1-CB 4.14Å; I127-L149 HydrophobicContact CD1-CD1 4.21Å
128I94.7Very high92Very high2 Ų237.8 Ų37.81%0.0120%0.201CC..Hα-helixtrans-60.5-34.8-179.1-166.6171.4000111.8C83 R85 L108 L124 T125 N130 L131 F132C83-I128 WeakPolarHBondContact O-CD1 3.36Å; R85-I128 HydrophobicContact CB-CD1 3.88Å; R85-I128 HydrophobicContact CB-CG1 4.3Å; L108-I128 HydrophobicContact CB-CB 4.31Å; L108-I128 HydrophobicContact CB-CD1 3.81Å; L108-I128 HydrophobicContact CB-CG1 4.26Å; L108-I128 HydrophobicContact CD2-CB 4.24Å; L124-I128 WeakPolarHBondContact O-CG2 3.48Å; L124-I128 PolarHBondContact O-N 3.24Å; T125-I128 WeakPolarHBondContact O-CG2 3.49Å; I128-N130 VanDerWaalsContact C-N 3.31Å; I128-N130 PolarHBondContact O-N 3.02Å; I128-L131 PolarHBondContact O-N 3.02Å; I128-F132 HydrophobicContact CD1-CD2 4.45Å; I128-F132 HydrophobicContact CD1-CE2 3.99Å; I128-F132 HydrophobicContact CG1-CD2 3.74Å; I128-F132 HydrophobicContact CG1-CE2 3.76Å; I128-F132 WeakPolarHBondContact O-CD2 3.39Å; I128-F132 PolarHBondContact O-N 3.4Å
129D93.2Very high91.9Very high24 Ų2441.6 Ų41.613%0.12823%0.226CC..Hα-helixtrans-64.8-36.3176.5-77.115.7000112.7R85 T125 T126 I127 K133R85-D129 VanDerWaalsContact CZ-CG 3.41Å; R85-D129 IonicContact CZ-OD1 2.54Å; R85-D129 IonicContact CZ-OD2 2.79Å; R85-D129 IonicContact NE-OD1 2.68Å; R85-D129 IonicContact NH1-OD1 2.61Å; R85-D129 PolarHBondContact NH1-OD1 2.74Å; R85-D129 IonicContact NH1-OD2 3.37Å; R85-D129 PolarHBondContact NH1-OD2 3.39Å; R85-D129 IonicContact NH2-OD1 3.55Å; R85-D129 PolarHBondContact NH2-OD1 3.06Å; R85-D129 IonicContact NH2-OD2 2.93Å; R85-D129 PolarHBondContact NH2-OD2 3.36Å; T125-D129 WeakPolarHBondContact O-CB 3.47Å; T125-D129 PolarHBondContact O-N 3.43Å; T125-D129 VanDerWaalsContact O-OD1 3.14Å; T126-D129 PolarHBondContact O-N 2.95Å; I127-D129 PolarHBondContact O-N 2.66Å; D129-K133 WeakPolarHBondContact O-CB 3.28Å; D129-K133 WeakPolarHBondContact O-CD 3.28Å; D129-K133 WeakPolarHBondContact O-CG 3.29Å; D129-K133 PolarHBondContact O-N 3.34Å
130N93Very high91.8Very high83 Ų8347 Ų4744%0.44425%0.252SS..Hα-helixtrans-74.7-33.6176.4-65.4-20.2000111.5T126 I127 I128 K133 S134T126-N130 VanDerWaalsContact O-CG 3.3Å; T126-N130 PolarHBondContact O-N 3.01Å; T126-N130 PolarHBondContact O-ND2 3.33Å; I127-N130 PolarHBondContact O-N 2.98Å; I128-N130 VanDerWaalsContact C-N 3.31Å; I128-N130 PolarHBondContact O-N 3.02Å; N130-K133 PolarHBondContact O-N 2.86Å; N130-S134 VanDerWaalsContact O-CB 3.28Å; N130-S134 WeakPolarHBondContact O-CB 3.49Å; N130-S134 PolarHBondContact O-N 2.8Å; N130-S134 PolarHBondContact O-OG 3.33Å
131L93Very high91.7Very high12 Ų1248.1 Ų48.16%0.06326%0.259CS..Hα-helixtrans-65.1-43.4171.3-62.8174.2000111.9L108 I127 I128 S134 K135 G136 F137L108-L131 HydrophobicContact CD2-CD1 4.11Å; I127-L131 HydrophobicContact CG2-CD1 4.15Å; I127-L131 WeakPolarHBondContact O-CG 3.47Å; I127-L131 PolarHBondContact O-N 3.18Å; I128-L131 PolarHBondContact O-N 3.02Å; L131-S134 WeakPolarHBondContact CA-OG 3.46Å; L131-S134 PolarHBondContact O-OG 2.89Å; L131-K135 WeakPolarHBondContact O-CA 3.46Å; L131-K135 PolarHBondContact O-N 3.46Å; L131-G136 WeakPolarHBondContact CD2-O 3.46Å; L131-F137 HydrophobicContact CB-CD1 4.15Å; L131-F137 HydrophobicContact CB-CE1 3.6Å; L131-F137 HydrophobicContact CB-CZ 3.95Å; L131-F137 HydrophobicContact CD1-CD1 4.36Å; L131-F137 HydrophobicContact CD1-CE1 4.15Å; L131-F137 HydrophobicContact CG-CE1 4.49Å
132F91.2Very high91.5Very high23 Ų2348 Ų4810%0.10126%0.258CS..Hα-helixtrans-64.1-41.8174-91.3-98.9000112.5R85 A87 Y92 K106 I128 K135 F137R85-F132 HydrophobicContact CB-CD2 4Å; R85-F132 HydrophobicContact CB-CE1 4.4Å; R85-F132 HydrophobicContact CB-CE2 3.53Å; R85-F132 HydrophobicContact CB-CZ 3.74Å; R85-F132 HydrophobicContact CG-CD1 4.4Å; R85-F132 HydrophobicContact CG-CD2 4Å; R85-F132 HydrophobicContact CG-CE1 4.36Å; R85-F132 HydrophobicContact CG-CE2 3.99Å; R85-F132 HydrophobicContact CG-CG 4.23Å; R85-F132 HydrophobicContact CG-CZ 4.16Å; R85-F132 WeakPolarHBondContact O-CZ 3.47Å; A87-F132 HydrophobicContact CB-CD1 3.66Å; A87-F132 HydrophobicContact CB-CE1 3.74Å; Y92-F132 WeakPolarHBondContact OH-CD1 3.39Å; Y92-F132 WeakPolarHBondContact OH-CE1 3.36Å; K106-F132 HydrophobicContact CB-CE2 4.14Å; K106-F132 HydrophobicContact CB-CZ 3.95Å; K106-F132 HydrophobicContact CD-CZ 4.49Å; K106-F132 HydrophobicContact CG-CZ 4.38Å; I128-F132 HydrophobicContact CD1-CD2 4.45Å; I128-F132 HydrophobicContact CD1-CE2 3.99Å; I128-F132 HydrophobicContact CG1-CD2 3.74Å; I128-F132 HydrophobicContact CG1-CE2 3.76Å; I128-F132 WeakPolarHBondContact O-CD2 3.39Å; I128-F132 PolarHBondContact O-N 3.4Å; F132-K135 PolarHBondContact O-N 2.89Å; F132-F137 HydrophobicContact CD2-CE1 4.39Å; F132-F137 HydrophobicContact CD2-CE2 4.42Å; F132-F137 AromaticContact CD2-CZ 3.54Å; F132-F137 HydrophobicContact CD2-CZ 3.54Å; F132-F137 HydrophobicContact CE2-CE1 4.34Å; F132-F137 HydrophobicContact CE2-CE2 4.49Å; F132-F137 AromaticContact CE2-CZ 3.6Å; F132-F137 HydrophobicContact CE2-CZ 3.6Å; F132-F137 HydrophobicContact CG-CZ 4.13Å; F132-F137 HydrophobicContact CZ-CZ 4.28Å
133K89.9Confident91.6Very high149 Ų14949.4 Ų49.465%0.64827%0.265SS*.Hα-helixtrans-66.6-45.5177.8-73.3165.3-168.3167.30113D129 N130 K135D129-K133 WeakPolarHBondContact O-CB 3.28Å; D129-K133 WeakPolarHBondContact O-CD 3.28Å; D129-K133 WeakPolarHBondContact O-CG 3.29Å; D129-K133 PolarHBondContact O-N 3.34Å; N130-K133 PolarHBondContact O-N 2.86Å; K133-K135 PolarHBondContact O-N 3.08Å
134S87.6Confident91.6Very high80 Ų8051.8 Ų51.856%0.55928%0.279SS*.Hα-helixtrans-72.9-18.6178.359.80000112.9N130 L131 G136N130-S134 VanDerWaalsContact O-CB 3.28Å; N130-S134 WeakPolarHBondContact O-CB 3.49Å; N130-S134 PolarHBondContact O-N 2.8Å; N130-S134 PolarHBondContact O-OG 3.33Å; L131-S134 WeakPolarHBondContact CA-OG 3.46Å; L131-S134 PolarHBondContact O-OG 2.89Å; S134-G136 PolarHBondContact O-N 2.62Å; S134-G136 PolarHBondContact OG-N 2.82Å
135K80.1Confident91.5Very high100 Ų10052.2 Ų52.244%0.43528%0.282SS..THydrogen-bonded Turntrans61.713.9-174.7-46.7177.8-167.2-178.30113.2S91 V93 L131 F132 K133S91-K135 WeakPolarHBondContact O-CE 3.07Å; S91-K135 PolarHBondContact O-NZ 2.68Å; V93-K135 HydrophobicContact CG2-CD 4.09Å; L131-K135 WeakPolarHBondContact O-CA 3.46Å; L131-K135 PolarHBondContact O-N 3.46Å; F132-K135 PolarHBondContact O-N 2.89Å; K133-K135 PolarHBondContact O-N 3.08Å
136G78.9Confident91.5Very high22 Ų2252.4 Ų52.423%0.22728%0.281CS..  trans-100.890.6-177.200000111.7L131 S134 S141L131-G136 WeakPolarHBondContact CD2-O 3.46Å; S134-G136 PolarHBondContact O-N 2.62Å; S134-G136 PolarHBondContact OG-N 2.82Å; G136-S141 PolarHBondContact O-OG 3.22Å
137F88.1Confident91.6Very high40 Ų4054 Ų5418%0.17528%0.284CS..  trans-96.174.2164.6-65.5-79.9000109L12 K106 L131 F132L12-F137 HydrophobicContact CD1-CD1 3.82Å; L12-F137 HydrophobicContact CD1-CE1 3.94Å; L12-F137 HydrophobicContact CD2-CB 3.83Å; L12-F137 HydrophobicContact CD2-CD1 3.55Å; L12-F137 HydrophobicContact CD2-CE1 4.46Å; L12-F137 HydrophobicContact CD2-CG 3.97Å; L12-F137 HydrophobicContact CG-CD1 4.36Å; K106-F137 HydrophobicContact CD-CD1 4.2Å; K106-F137 HydrophobicContact CD-CD2 4Å; K106-F137 HydrophobicContact CD-CE1 3.95Å; K106-F137 HydrophobicContact CD-CE2 3.76Å; K106-F137 HydrophobicContact CD-CG 4.22Å; K106-F137 HydrophobicContact CD-CZ 3.73Å; L131-F137 HydrophobicContact CB-CD1 4.15Å; L131-F137 HydrophobicContact CB-CE1 3.6Å; L131-F137 HydrophobicContact CB-CZ 3.95Å; L131-F137 HydrophobicContact CD1-CD1 4.36Å; L131-F137 HydrophobicContact CD1-CE1 4.15Å; L131-F137 HydrophobicContact CG-CE1 4.49Å; F132-F137 HydrophobicContact CD2-CE1 4.39Å; F132-F137 HydrophobicContact CD2-CE2 4.42Å; F132-F137 AromaticContact CD2-CZ 3.54Å; F132-F137 HydrophobicContact CD2-CZ 3.54Å; F132-F137 HydrophobicContact CE2-CE1 4.34Å; F132-F137 HydrophobicContact CE2-CE2 4.49Å; F132-F137 AromaticContact CE2-CZ 3.6Å; F132-F137 HydrophobicContact CE2-CZ 3.6Å; F132-F137 HydrophobicContact CG-CZ 4.13Å; F132-F137 HydrophobicContact CZ-CZ 4.28Å
138T91.2Very high91.5Very high61 Ų6158.4 Ų58.437%0.37430%0.304SS..  trans-107.2157.5178.365.50000111E140 S141 L142T138-E140 PolarHBondContact O-N 2.83Å; T138-S141 PolarHBondContact N-OG 2.78Å; T138-S141 PolarHBondContact O-N 3.24Å; T138-S141 VanDerWaalsContact O-N 3.13Å; T138-S141 PolarHBondContact O-OG 2.82Å; T138-S141 WeakPolarHBondContact OG1-CB 3.4Å; T138-S141 PolarHBondContact OG1-N 2.74Å; T138-S141 VanDerWaalsContact OG1-N 3.1Å; T138-S141 PolarHBondContact OG1-OG 2.63Å; T138-L142 PolarHBondContact O-N 3.24Å
139P90.9Very high91.5Very high89 Ų8958.4 Ų58.458%0.57830%0.304SS*.Hα-helixtrans-54.1-40.3173.2-26.334.3000113L25 L142 Q143L25-P139 HydrophobicContact CD2-CG 4.08Å; P139-L142 WeakPolarHBondContact O-CB 3.49Å; P139-L142 PolarHBondContact O-N 2.81Å; P139-Q143 PolarHBondContact O-N 3.3Å
140E93Very high91.6Very high136 Ų13657.9 Ų57.964%0.63630%0.302SS*.Hα-helixtrans-62.5-44.8175.7-174.4-173.7177.700112.3T138 L142 Q143 N144T138-E140 PolarHBondContact O-N 2.83Å; E140-L142 VanDerWaalsContact C-N 3.25Å; E140-L142 PolarHBondContact O-N 3.24Å; E140-Q143 PolarHBondContact O-N 2.6Å; E140-N144 WeakPolarHBondContact O-CB 3.39Å; E140-N144 VanDerWaalsContact O-CG 3.27Å; E140-N144 PolarHBondContact O-N 3.25Å; E140-N144 PolarHBondContact O-ND2 2.91Å
141S93.1Very high91.6Very high22 Ų2259.3 Ų59.315%0.15431%0.306CS..Hα-helixtrans-64.3-32.1176.870.60000112.3G136 T138 S145G136-S141 PolarHBondContact O-OG 3.22Å; T138-S141 PolarHBondContact N-OG 2.78Å; T138-S141 PolarHBondContact O-N 3.24Å; T138-S141 VanDerWaalsContact O-N 3.13Å; T138-S141 PolarHBondContact O-OG 2.82Å; T138-S141 WeakPolarHBondContact OG1-CB 3.4Å; T138-S141 PolarHBondContact OG1-N 2.74Å; T138-S141 VanDerWaalsContact OG1-N 3.1Å; T138-S141 PolarHBondContact OG1-OG 2.63Å; S141-S145 VanDerWaalsContact O-CB 3.3Å; S141-S145 WeakPolarHBondContact O-CB 3.49Å; S141-S145 PolarHBondContact O-N 2.82Å; S141-S145 VanDerWaalsContact O-N 3.09Å; S141-S145 PolarHBondContact O-OG 3.28Å
142L93.8Very high91.6Very high4 Ų461.5 Ų61.52%0.02132%0.315CS..Hα-helixtrans-73-42175.2-164.871.9000111.7L10 L25 L108 T138 P139 E140 S145 Y146L10-L142 HydrophobicContact CD2-CD1 3.58Å; L10-L142 HydrophobicContact CD2-CG 4.03Å; L10-L142 WeakPolarHBondContact CD2-O 3.35Å; L10-L142 HydrophobicContact CG-CD1 3.78Å; L10-L142 HydrophobicContact CG-CG 4.34Å; L25-L142 HydrophobicContact CB-CD2 3.62Å; L108-L142 HydrophobicContact CD1-CD1 3.63Å; T138-L142 PolarHBondContact O-N 3.24Å; P139-L142 WeakPolarHBondContact O-CB 3.49Å; P139-L142 PolarHBondContact O-N 2.81Å; E140-L142 VanDerWaalsContact C-N 3.25Å; E140-L142 PolarHBondContact O-N 3.24Å; L142-S145 WeakPolarHBondContact O-CB 3.13Å; L142-S145 PolarHBondContact O-N 2.97Å; L142-Y146 PolarHBondContact O-N 3.49Å
143Q94.8Very high91.8Very high73 Ų7360.4 Ų60.434%0.34131%0.311SS..Hα-helixtrans-58.4-53.2172.9167.9167.60.600111.3Y27 P139 E140 S145 Y146 E147Y27-Q143 HydrophobicContact CD1-CB 4.35Å; Y27-Q143 HydrophobicContact CD2-CB 4.13Å; Y27-Q143 HydrophobicContact CE1-CB 4.06Å; Y27-Q143 HydrophobicContact CE1-CG 3.99Å; Y27-Q143 HydrophobicContact CE2-CB 3.83Å; Y27-Q143 HydrophobicContact CE2-CG 3.96Å; Y27-Q143 HydrophobicContact CG-CB 4.38Å; Y27-Q143 WeakPolarHBondContact OH-CG 3.29Å; Y27-Q143 PolarHBondContact OH-NE2 3.3Å; P139-Q143 PolarHBondContact O-N 3.3Å; E140-Q143 PolarHBondContact O-N 2.6Å; Q143-S145 PolarHBondContact O-N 3.11Å; Q143-Y146 WeakPolarHBondContact O-CB 3.31Å; Q143-Y146 PolarHBondContact O-N 3.09Å; Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.36Å; Q143-E147 PolarHBondContact NE2-OE1 2.9Å; Q143-E147 PolarHBondContact O-N 3.26Å
144N94.7Very high91.9Very high83 Ų8356.8 Ų56.844%0.44430%0.298SS..Hα-helixtrans-58.1-37.8178.5-68.3-21.3000111.5E140 Q148E140-N144 WeakPolarHBondContact O-CB 3.39Å; E140-N144 VanDerWaalsContact O-CG 3.27Å; E140-N144 PolarHBondContact O-N 3.25Å; E140-N144 PolarHBondContact O-ND2 2.91Å; N144-Q148 VanDerWaalsContact O-CB 3.29Å; N144-Q148 WeakPolarHBondContact O-CB 3.2Å; N144-Q148 PolarHBondContact O-N 3.3Å
145S95.3Very high92.1Very high9 Ų956.7 Ų56.76%0.06329%0.292CS..Hα-helixtrans-65.4-40.4174.7-63.50000112.9I127 S141 L142 Q143 L149I127-S145 WeakPolarHBondContact CG2-OG 3.45Å; S141-S145 VanDerWaalsContact O-CB 3.3Å; S141-S145 WeakPolarHBondContact O-CB 3.49Å; S141-S145 PolarHBondContact O-N 2.82Å; S141-S145 VanDerWaalsContact O-N 3.09Å; S141-S145 PolarHBondContact O-OG 3.28Å; L142-S145 WeakPolarHBondContact O-CB 3.13Å; L142-S145 PolarHBondContact O-N 2.97Å; Q143-S145 PolarHBondContact O-N 3.11Å; S145-L149 VanDerWaalsContact O-CB 3.25Å; S145-L149 WeakPolarHBondContact O-CB 3.22Å; S145-L149 PolarHBondContact O-N 3.3Å
146Y96Very high92.6Very high21 Ų2152.8 Ų52.88%0.08228%0.276CS..Hα-helixtrans-66.9-44.4176.7172.7-83.5000111.6I7 L10 Y27 P28 L142 Q143 L149 S150I7-Y146 HydrophobicContact CB-CE2 4.02Å; I7-Y146 HydrophobicContact CG2-CD2 4.13Å; I7-Y146 HydrophobicContact CG2-CE2 3.71Å; I7-Y146 PolarHBondContact O-OH 3.37Å; L10-Y146 HydrophobicContact CB-CD2 4.01Å; Y27-Y146 AromaticContact CD1-CD1 3.93Å; Y27-Y146 HydrophobicContact CD1-CD1 3.93Å; Y27-Y146 HydrophobicContact CD1-CD2 4.12Å; Y27-Y146 AromaticContact CD1-CG 3.6Å; Y27-Y146 HydrophobicContact CD1-CG 3.6Å; Y27-Y146 AromaticContact CE1-CD1 3.53Å; Y27-Y146 HydrophobicContact CE1-CD1 3.53Å; Y27-Y146 HydrophobicContact CE1-CE1 4.21Å; Y27-Y146 AromaticContact CE1-CG 3.73Å; Y27-Y146 HydrophobicContact CE1-CG 3.73Å; P28-Y146 HydrophobicContact CG-CE1 4.49Å; P28-Y146 HydrophobicContact CG-CE2 4.38Å; L142-Y146 PolarHBondContact O-N 3.49Å; Q143-Y146 WeakPolarHBondContact O-CB 3.31Å; Q143-Y146 PolarHBondContact O-N 3.09Å; Y146-L149 PolarHBondContact O-N 3.06Å; Y146-S150 WeakPolarHBondContact CE1-OG 3.34Å; Y146-S150 VanDerWaalsContact O-CB 3.31Å; Y146-S150 WeakPolarHBondContact O-CB 3.23Å; Y146-S150 PolarHBondContact O-N 2.84Å; Y146-S150 PolarHBondContact O-OG 3.27Å
147E95Very high93.1Very high96 Ų9654 Ų5445%0.44928%0.277SS..Hα-helixtrans-63.7-46178.6-70175.6-162.900110.9Q143 L149 S150 H151Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.36Å; Q143-E147 PolarHBondContact NE2-OE1 2.9Å; Q143-E147 PolarHBondContact O-N 3.26Å; E147-L149 PolarHBondContact O-N 3.41Å; E147-S150 PolarHBondContact O-N 2.85Å; E147-H151 PolarHBondContact O-N 2.99Å
148Q94.9Very high93.2Very high98 Ų9856.3 Ų56.346%0.45830%0.298SS..Hα-helixtrans-57.9-45.8174.3-176.2-1765.800112N144 F152N144-Q148 VanDerWaalsContact O-CB 3.29Å; N144-Q148 WeakPolarHBondContact O-CB 3.2Å; N144-Q148 PolarHBondContact O-N 3.3Å; Q148-F152 HydrophobicContact CG-CD2 4.3Å; Q148-F152 HydrophobicContact CG-CE2 3.67Å; Q148-F152 HydrophobicContact CG-CZ 4.25Å; Q148-F152 VanDerWaalsContact O-CD2 3.24Å; Q148-F152 WeakPolarHBondContact O-CD2 3.32Å; Q148-F152 PolarHBondContact O-N 3.46Å
149L94.9Very high93Very high1 Ų156.1 Ų56.11%0.00530%0.295CS..Hα-helixtrans-70.9-38.6-178.1-170.468.5000112.2I7 V110 I120 H123 L124 I127 S145 Y146 E147 H151 F152 V153I7-L149 HydrophobicContact CD1-CB 3.95Å; I7-L149 HydrophobicContact CD1-CD2 3.7Å; I7-L149 HydrophobicContact CD1-CG 3.52Å; V110-L149 HydrophobicContact CB-CD2 4.43Å; V110-L149 HydrophobicContact CG1-CD2 4.11Å; V110-L149 HydrophobicContact CG2-CD2 3.4Å; V110-L149 VanDerWaalsContact CG2-CD2 3.4Å; I120-L149 HydrophobicContact CG2-CD2 4.33Å; H123-L149 HydrophobicContact CB-CD1 3.65Å; L124-L149 HydrophobicContact CD1-CD2 4.15Å; I127-L149 HydrophobicContact CD1-CB 4.14Å; I127-L149 HydrophobicContact CD1-CD1 4.21Å; S145-L149 VanDerWaalsContact O-CB 3.25Å; S145-L149 WeakPolarHBondContact O-CB 3.22Å; S145-L149 PolarHBondContact O-N 3.3Å; Y146-L149 PolarHBondContact O-N 3.06Å; E147-L149 PolarHBondContact O-N 3.41Å; L149-H151 VanDerWaalsContact C-N 3.34Å; L149-F152 PolarHBondContact O-N 3.38Å; L149-V153 PolarHBondContact O-N 2.8Å; L149-V153 VanDerWaalsContact O-N 3.1Å
150S94.6Very high92.8Very high13 Ų1356.7 Ų56.79%0.09130%0.298CS..Hα-helixtrans-61-45.2176.2-59.10000110.5Y146 E147 F152 V153 D154Y146-S150 WeakPolarHBondContact CE1-OG 3.34Å; Y146-S150 VanDerWaalsContact O-CB 3.31Å; Y146-S150 WeakPolarHBondContact O-CB 3.23Å; Y146-S150 PolarHBondContact O-N 2.84Å; Y146-S150 PolarHBondContact O-OG 3.27Å; E147-S150 PolarHBondContact O-N 2.85Å; S150-F152 VanDerWaalsContact C-N 3.34Å; S150-F152 PolarHBondContact O-N 3.07Å; S150-V153 PolarHBondContact O-N 3.41Å; S150-V153 VanDerWaalsContact O-N 3.1Å; S150-D154 WeakPolarHBondContact O-CB 2.98Å; S150-D154 VanDerWaalsContact O-CG 3.27Å; S150-D154 PolarHBondContact O-N 2.84Å
151H93.6Very high92.5Very high113 Ų11354.6 Ų54.652%0.52330%0.295SS..Hα-helixtrans-58-40.2174.2178.2-106.1000113.1E147 L149 N155E147-H151 PolarHBondContact O-N 2.99Å; L149-H151 VanDerWaalsContact C-N 3.34Å; H151-N155 PolarHBondContact CD2-ND2 3.41Å; H151-N155 PolarHBondContact CE1-ND2 2.91Å; H151-N155 PolarHBondContact ND1-ND2 3.5Å; H151-N155 PolarHBondContact NE2-ND2 3.18Å; H151-N155 VanDerWaalsContact NE2-ND2 3.12Å; H151-N155 WeakPolarHBondContact O-CB 3.35Å; H151-N155 PolarHBondContact O-N 3.14Å; H151-N155 VanDerWaalsContact O-N 3.16Å; H151-N155 PolarHBondContact O-ND2 3.5Å
152F93.2Very high92.3Very high59 Ų5956 Ų5626%0.25930%0.304SS..Hα-helixtrans-63.7-40.8174.5-69.1-51000112.7H123 Q148 L149 S150 V156H123-F152 HydrophobicContact CB-CD2 4.03Å; H123-F152 HydrophobicContact CB-CE2 4.38Å; H123-F152 AromaticContact CE1-CD1 3.76Å; H123-F152 AromaticContact CE1-CD2 3.93Å; H123-F152 AromaticContact CE1-CE1 3.91Å; H123-F152 AromaticContact CE1-CG 3.78Å; H123-F152 AromaticContact CG-CD2 3.66Å; H123-F152 AromaticContact ND1-CD2 3.38Å; H123-F152 WeakPolarHBondContact ND1-CD2 3.45Å; H123-F152 AromaticContact ND1-CE2 3.38Å; H123-F152 WeakPolarHBondContact ND1-CE2 3.33Å; H123-F152 AromaticContact ND1-CG 3.72Å; H123-F152 AromaticContact ND1-CZ 3.74Å; Q148-F152 HydrophobicContact CG-CD2 4.3Å; Q148-F152 HydrophobicContact CG-CE2 3.67Å; Q148-F152 HydrophobicContact CG-CZ 4.25Å; Q148-F152 VanDerWaalsContact O-CD2 3.24Å; Q148-F152 WeakPolarHBondContact O-CD2 3.32Å; Q148-F152 PolarHBondContact O-N 3.46Å; L149-F152 PolarHBondContact O-N 3.38Å; S150-F152 VanDerWaalsContact C-N 3.34Å; S150-F152 PolarHBondContact O-N 3.07Å; F152-V156 PolarHBondContact O-N 3.23Å
153V93.5Very high92.1Very high0 Ų057.4 Ų57.40%031%0.31CS..Hα-helixtrans-71.5-45179.9171.60000111.7I7 L116 I120 L149 S150 N155 V156 L157I7-V153 HydrophobicContact CD1-CB 4.45Å; I7-V153 HydrophobicContact CD1-CG2 3.98Å; I7-V153 HydrophobicContact CG1-CB 4.43Å; I7-V153 HydrophobicContact CG1-CG2 4.24Å; L116-V153 HydrophobicContact CD1-CG1 4.11Å; I120-V153 HydrophobicContact CD1-CG2 4.14Å; I120-V153 HydrophobicContact CG1-CG2 3.87Å; L149-V153 PolarHBondContact O-N 2.8Å; L149-V153 VanDerWaalsContact O-N 3.1Å; S150-V153 PolarHBondContact O-N 3.41Å; S150-V153 VanDerWaalsContact O-N 3.1Å; V153-N155 PolarHBondContact O-N 3.38Å; V153-V156 PolarHBondContact O-N 3.13Å; V153-L157 HydrophobicContact CG1-CD1 3.63Å; V153-L157 HydrophobicContact CG1-CG 4.3Å; V153-L157 WeakPolarHBondContact O-CG 3.19Å; V153-L157 PolarHBondContact O-N 3.1Å
154D92.6Very high91.7Very high72 Ų7256.6 Ų56.639%0.38531%0.306SS..Hα-helixtrans-65.4-37.6-178.3-68.4-24.9000112.2S6 S150 V156 L157 S158S6-D154 WeakPolarHBondContact CB-OD1 3.37Å; S6-D154 PolarHBondContact OG-OD1 3.18Å; S150-D154 WeakPolarHBondContact O-CB 2.98Å; S150-D154 VanDerWaalsContact O-CG 3.27Å; S150-D154 PolarHBondContact O-N 2.84Å; D154-V156 VanDerWaalsContact C-N 3.34Å; D154-V156 PolarHBondContact O-N 3.47Å; D154-L157 PolarHBondContact O-N 3.27Å; D154-S158 PolarHBondContact O-N 3.48Å
155N91.5Very high91.4Very high79 Ų7957.9 Ų57.942%0.42231%0.313SS..Hα-helixtrans-59.9-44.3173.3-77-37000111.7H151 V153 S158H151-N155 PolarHBondContact CD2-ND2 3.41Å; H151-N155 PolarHBondContact CE1-ND2 2.91Å; H151-N155 PolarHBondContact ND1-ND2 3.5Å; H151-N155 PolarHBondContact NE2-ND2 3.18Å; H151-N155 VanDerWaalsContact NE2-ND2 3.12Å; H151-N155 WeakPolarHBondContact O-CB 3.35Å; H151-N155 PolarHBondContact O-N 3.14Å; H151-N155 VanDerWaalsContact O-N 3.16Å; H151-N155 PolarHBondContact O-ND2 3.5Å; V153-N155 PolarHBondContact O-N 3.38Å; N155-S158 WeakPolarHBondContact O-CB 3.01Å; N155-S158 PolarHBondContact O-N 2.94Å; N155-S158 PolarHBondContact O-OG 3.1Å
156V90.9Very high91.2Very high17 Ų1757.8 Ų57.810%0.10331%0.313CS..Hα-helixtrans-66.2-38.3176.7161.40000112.1L116 F119 F152 V153 D154 S158 D159 Y163 A166L116-V156 HydrophobicContact CD1-CG1 4.2Å; F119-V156 HydrophobicContact CE1-CB 4.43Å; F119-V156 HydrophobicContact CE1-CG2 3.81Å; F119-V156 HydrophobicContact CE2-CG2 4.01Å; F119-V156 HydrophobicContact CZ-CG2 3.45Å; F119-V156 VanDerWaalsContact CZ-CG2 3.45Å; F152-V156 PolarHBondContact O-N 3.23Å; V153-V156 PolarHBondContact O-N 3.13Å; D154-V156 VanDerWaalsContact C-N 3.34Å; D154-V156 PolarHBondContact O-N 3.47Å; V156-S158 PolarHBondContact O-N 3.12Å; V156-D159 VanDerWaalsContact O-O 3.11Å; V156-Y163 HydrophobicContact CG1-CD2 4.38Å; V156-Y163 PolarHBondContact O-N 3.04Å; V156-A166 HydrophobicContact CB-CB 4.48Å; V156-A166 HydrophobicContact CG1-CB 3.35Å; V156-A166 HydrophobicContact CG2-CB 4.3Å
157L90.5Very high91.1Very high48 Ų4857.1 Ų57.125%0.25131%0.31SS..Hα-helixtrans-72.4-15.5178-69.2167.5000113.5S6 F114 V153 D154 Y163S6-L157 WeakPolarHBondContact OG-CD1 3.3Å; F114-L157 HydrophobicContact CD1-CD2 3.86Å; F114-L157 HydrophobicContact CD2-CD1 3.56Å; F114-L157 HydrophobicContact CD2-CD2 4Å; F114-L157 HydrophobicContact CD2-CG 4.45Å; F114-L157 HydrophobicContact CE1-CD2 4.01Å; F114-L157 HydrophobicContact CE2-CD1 3.52Å; F114-L157 HydrophobicContact CE2-CD2 4.15Å; F114-L157 HydrophobicContact CG-CD1 4.24Å; F114-L157 HydrophobicContact CG-CD2 3.85Å; F114-L157 HydrophobicContact CZ-CD1 4.18Å; F114-L157 HydrophobicContact CZ-CD2 4.15Å; V153-L157 HydrophobicContact CG1-CD1 3.63Å; V153-L157 HydrophobicContact CG1-CG 4.3Å; V153-L157 WeakPolarHBondContact O-CG 3.19Å; V153-L157 PolarHBondContact O-N 3.1Å; D154-L157 PolarHBondContact O-N 3.27Å; L157-Y163 HydrophobicContact CD2-CD2 3.59Å; L157-Y163 HydrophobicContact CD2-CE2 3.58Å; L157-Y163 HydrophobicContact CD2-CG 4.45Å
158S89.4Confident91Very high89 Ų8955.5 Ų55.562%0.62230%0.302SS*.Hα-helixtrans-73.9-24.9178.878.20000113.8D154 N155 V156D154-S158 PolarHBondContact O-N 3.48Å; N155-S158 WeakPolarHBondContact O-CB 3.01Å; N155-S158 PolarHBondContact O-N 2.94Å; N155-S158 PolarHBondContact O-OG 3.1Å; V156-S158 PolarHBondContact O-N 3.12Å
159D87.7Confident90.8Very high57 Ų5754.4 Ų54.431%0.30529%0.294SS..SBendtrans-122.6120.5-179.3165.837.4000111.3V156 V161 S162 Y163V156-D159 VanDerWaalsContact O-O 3.11Å; D159-V161 PolarHBondContact O-N 2.98Å; D159-V161 VanDerWaalsContact O-N 3.17Å; D159-V161 PolarHBondContact OD1-N 2.83Å; D159-V161 VanDerWaalsContact OD1-N 3.08Å; D159-S162 PolarHBondContact O-N 3.29Å; D159-S162 VanDerWaalsContact OD2-CB 3.25Å; D159-S162 WeakPolarHBondContact OD2-CB 3.4Å; D159-S162 PolarHBondContact OD2-N 2.97Å; D159-S162 PolarHBondContact OD2-OG 2.95Å; D159-Y163 WeakPolarHBondContact O-CB 3.41Å; D159-Y163 PolarHBondContact O-N 3.41Å
160P86.4Confident90.5Very high100 Ų10055.8 Ų55.865%0.64930%0.302SS*.Hα-helixtrans-56.6-28.8177.8-26.635.4000115.2Q164P160-Q164 PolarHBondContact O-N 3.03Å
161V86.7Confident90.4Very high93 Ų9355.4 Ų55.456%0.56430%0.298SS*.Hα-helixtrans-75-51.9178.6-176.80000109.9D159 Y163 Q164 D165D159-V161 PolarHBondContact O-N 2.98Å; D159-V161 VanDerWaalsContact O-N 3.17Å; D159-V161 PolarHBondContact OD1-N 2.83Å; D159-V161 VanDerWaalsContact OD1-N 3.08Å; V161-Y163 VanDerWaalsContact C-N 3.26Å; V161-Y163 PolarHBondContact O-N 3.23Å; V161-Q164 WeakPolarHBondContact O-CB 2.83Å; V161-Q164 PolarHBondContact O-N 3.49Å; V161-D165 PolarHBondContact O-N 3.09Å
162S88.6Confident90.3Very high50 Ų5051.6 Ų51.635%0.3528%0.282SS..Hα-helixtrans-55.2-40.3174-61.50000112.3D159 Q164 D165 A166D159-S162 PolarHBondContact O-N 3.29Å; D159-S162 VanDerWaalsContact OD2-CB 3.25Å; D159-S162 WeakPolarHBondContact OD2-CB 3.4Å; D159-S162 PolarHBondContact OD2-N 2.97Å; D159-S162 PolarHBondContact OD2-OG 2.95Å; S162-Q164 PolarHBondContact O-N 3.46Å; S162-D165 PolarHBondContact O-N 3.48Å; S162-A166 VanDerWaalsContact O-CB 3.31Å; S162-A166 WeakPolarHBondContact O-CB 3.43Å; S162-A166 PolarHBondContact O-N 3.47Å
163Y89.9Confident90.4Very high34 Ų3448.8 Ų48.813%0.13327%0.269CS..Hα-helixtrans-61.3-41.6174.3-179.4-120.6000112.7F114 L116 V156 L157 D159 V161 A166 L167 R223F114-Y163 HydrophobicContact CD1-CE2 4.46Å; L116-Y163 HydrophobicContact CD1-CD2 4.41Å; L116-Y163 HydrophobicContact CD1-CE2 4.3Å; L116-Y163 HydrophobicContact CD2-CD2 3.91Å; L116-Y163 HydrophobicContact CD2-CE2 3.75Å; L116-Y163 HydrophobicContact CG-CE2 4.15Å; V156-Y163 HydrophobicContact CG1-CD2 4.38Å; V156-Y163 PolarHBondContact O-N 3.04Å; L157-Y163 HydrophobicContact CD2-CD2 3.59Å; L157-Y163 HydrophobicContact CD2-CE2 3.58Å; L157-Y163 HydrophobicContact CD2-CG 4.45Å; D159-Y163 WeakPolarHBondContact O-CB 3.41Å; D159-Y163 PolarHBondContact O-N 3.41Å; V161-Y163 VanDerWaalsContact C-N 3.26Å; V161-Y163 PolarHBondContact O-N 3.23Å; Y163-A166 PolarHBondContact O-N 3.43Å; Y163-L167 HydrophobicContact CD1-CD1 4.02Å; Y163-L167 HydrophobicContact CD2-CG 4.46Å; Y163-L167 HydrophobicContact CE1-CD1 3.61Å; Y163-L167 HydrophobicContact CE1-CG 4.31Å; Y163-L167 HydrophobicContact CE2-CD1 4.3Å; Y163-L167 HydrophobicContact CE2-CD2 4.28Å; Y163-L167 HydrophobicContact CE2-CG 4.1Å; Y163-L167 WeakPolarHBondContact O-CG 3.32Å; Y163-L167 PolarHBondContact O-N 2.8Å; Y163-R223 HydrophobicContact CE1-CG 4.28Å
164Q86.5Confident90.5Very high57 Ų5748.8 Ų48.827%0.26627%0.269SS..Hα-helixtrans-64.9-42.6177.4-171.772.2-11.900112P160 V161 S162 L167 F168 R223P160-Q164 PolarHBondContact O-N 3.03Å; V161-Q164 WeakPolarHBondContact O-CB 2.83Å; V161-Q164 PolarHBondContact O-N 3.49Å; S162-Q164 PolarHBondContact O-N 3.46Å; Q164-L167 PolarHBondContact O-N 2.81Å; Q164-F168 HydrophobicContact CG-CD2 4.46Å; Q164-F168 HydrophobicContact CG-CE2 4.16Å; Q164-F168 WeakPolarHBondContact O-CD2 3.48Å; Q164-F168 PolarHBondContact O-N 3.32Å; Q164-R223 VanDerWaalsContact CD-NH2 3.33Å
165D88.3Confident90.6Very high110 Ų11045.9 Ų45.959%0.58825%0.254SS*.Hα-helixtrans-67.1-39.3177.6-73.4-19.1000111.4V161 S162 F168 Y169V161-D165 PolarHBondContact O-N 3.09Å; S162-D165 PolarHBondContact O-N 3.48Å; D165-F168 CarbonylContact O-C 3.5Å; D165-F168 PolarHBondContact O-N 2.84Å; D165-Y169 PolarHBondContact O-N 3.4Å
166A91.7Very high90.8Very high7 Ų742.1 Ų42.16%0.05823%0.234CC..Hα-helixtrans-68.2-33.7176.500000113.4L116 F119 V156 S162 Y163 F168 Y169L116-A166 HydrophobicContact CD2-CB 3.79Å; F119-A166 HydrophobicContact CB-CB 4.21Å; F119-A166 HydrophobicContact CD1-CB 4.39Å; F119-A166 HydrophobicContact CD2-CB 4.02Å; F119-A166 HydrophobicContact CG-CB 3.93Å; V156-A166 HydrophobicContact CB-CB 4.48Å; V156-A166 HydrophobicContact CG1-CB 3.35Å; V156-A166 HydrophobicContact CG2-CB 4.3Å; S162-A166 VanDerWaalsContact O-CB 3.31Å; S162-A166 WeakPolarHBondContact O-CB 3.43Å; S162-A166 PolarHBondContact O-N 3.47Å; Y163-A166 PolarHBondContact O-N 3.43Å; A166-F168 VanDerWaalsContact C-N 3.27Å; A166-F168 PolarHBondContact O-N 3.49Å; A166-Y169 WeakPolarHBondContact O-CB 3.47Å; A166-Y169 PolarHBondContact O-N 2.84Å
167L92.4Very high91Very high6 Ų641.3 Ų41.33%0.03123%0.229CC..Hα-helixtrans-62.2-32.5172.8-80.7171.1000112.8P115 L116 Y163 Q164 L171 L222 R223P115-L167 HydrophobicContact CG-CD2 4.08Å; L116-L167 HydrophobicContact CD2-CD2 4.02Å; L116-L167 HydrophobicContact CD2-CG 4.03Å; Y163-L167 HydrophobicContact CD1-CD1 4.02Å; Y163-L167 HydrophobicContact CD2-CG 4.46Å; Y163-L167 HydrophobicContact CE1-CD1 3.61Å; Y163-L167 HydrophobicContact CE1-CG 4.31Å; Y163-L167 HydrophobicContact CE2-CD1 4.3Å; Y163-L167 HydrophobicContact CE2-CD2 4.28Å; Y163-L167 HydrophobicContact CE2-CG 4.1Å; Y163-L167 WeakPolarHBondContact O-CG 3.32Å; Y163-L167 PolarHBondContact O-N 2.8Å; Q164-L167 PolarHBondContact O-N 2.81Å; L167-L171 WeakPolarHBondContact O-CD1 3.46Å; L167-L222 HydrophobicContact CD2-CB 4.32Å; L167-L222 WeakPolarHBondContact O-CD1 3.35Å; L167-R223 HydrophobicContact CD1-CB 4.13Å; L167-R223 HydrophobicContact CD1-CG 4.38Å
168F92.5Very high91.2Very high62 Ų6240.8 Ų40.827%0.27222%0.224SC..Hα-helixtrans-101.71.9179.4-60.2-45.5000114.3Q164 D165 A166 N170 L171 L222Q164-F168 HydrophobicContact CG-CD2 4.46Å; Q164-F168 HydrophobicContact CG-CE2 4.16Å; Q164-F168 WeakPolarHBondContact O-CD2 3.48Å; Q164-F168 PolarHBondContact O-N 3.32Å; D165-F168 CarbonylContact O-C 3.5Å; D165-F168 PolarHBondContact O-N 2.84Å; A166-F168 VanDerWaalsContact C-N 3.27Å; A166-F168 PolarHBondContact O-N 3.49Å; F168-N170 PolarHBondContact O-N 2.94Å; F168-L171 PolarHBondContact O-N 3.5Å; F168-L222 HydrophobicContact CD1-CD1 4.36Å; F168-L222 HydrophobicContact CE1-CD1 4.45Å
169Y91.4Very high91.4Very high76 Ų7637.6 Ų37.630%0.29820%0.2SC..THydrogen-bonded Turntrans-52.3122-178.2-174.3-89.2000111.1S118 F119 H122 D165 A166 L171S118-Y169 WeakPolarHBondContact CB-O 3.3Å; F119-Y169 HydrophobicContact CB-CD1 4.45Å; F119-Y169 HydrophobicContact CB-CG 4.35Å; F119-Y169 HydrophobicContact CD2-CD2 4.44Å; F119-Y169 HydrophobicContact CD2-CG 4.42Å; H122-Y169 HydrophobicContact CB-CE1 3.75Å; H122-Y169 PolarHBondContact CE1-OH 3.38Å; H122-Y169 PolarHBondContact ND1-OH 2.85Å; D165-Y169 PolarHBondContact O-N 3.4Å; A166-Y169 WeakPolarHBondContact O-CB 3.47Å; A166-Y169 PolarHBondContact O-N 2.84Å; Y169-L171 PolarHBondContact O-N 2.76Å; Y169-L171 VanDerWaalsContact O-N 3.13Å
170N88.9Confident91.7Very high30 Ų3034.9 Ų34.916%0.1619%0.186CC..THydrogen-bonded Turntrans60.317.8178-152.94.1000115.3F168 N172 F453F168-N170 PolarHBondContact O-N 2.94Å; N170-N172 PolarHBondContact O-N 2.82Å; N170-F453 HydrophobicContact CB-CE2 4.49Å; N170-F453 WeakPolarHBondContact ND2-CD2 3.42Å; N170-F453 WeakPolarHBondContact ND2-CE2 3.36Å; N170-F453 WeakPolarHBondContact ND2-CZ 3.4Å; N170-F453 WeakPolarHBondContact OD1-CE2 3.42Å
171L92.7Very high92.2Very high4 Ų435.9 Ų35.92%0.02118%0.18CC..  trans-93.968.5173.4-61.6-172.2000110.9L167 F168 Y169 V173 N209 L212 L222 R629L167-L171 WeakPolarHBondContact O-CD1 3.46Å; F168-L171 PolarHBondContact O-N 3.5Å; Y169-L171 PolarHBondContact O-N 2.76Å; Y169-L171 VanDerWaalsContact O-N 3.13Å; L171-V173 WeakPolarHBondContact O-CG2 3.37Å; L171-V173 PolarHBondContact O-N 2.86Å; L171-N209 WeakPolarHBondContact CD2-OD1 3.09Å; L171-L212 HydrophobicContact CD1-CB 4.15Å; L171-L212 HydrophobicContact CD2-CB 3.75Å; L171-L212 HydrophobicContact CD2-CD1 4.39Å; L171-L222 HydrophobicContact CD1-CD1 3.49Å; L171-L222 VanDerWaalsContact CD1-CD1 3.49Å; L171-R629 PolarHBondContact O-NH2 3.05Å
172N92Very high92.6Very high33 Ų3337.3 Ų37.318%0.17618%0.175CC..  trans-69.993-164.6-67.6-10000113.7N170 N175 F176 Q621 D625N170-N172 PolarHBondContact O-N 2.82Å; N172-N175 HydrophobicContact CB-CB 4.04Å; N172-N175 PolarHBondContact O-N 2.56Å; N172-F176 PolarHBondContact O-N 3.22Å; N172-Q621 PolarHBondContact ND2-NE2 3.36Å; N172-D625 VanDerWaalsContact CA-OD2 3.26Å; N172-D625 WeakPolarHBondContact CA-OD2 3.02Å
173V95.5Very high92.9Very high0 Ų037.1 Ų37.10%017%0.17CC..Hα-helixtrans-71.1-40.1-173.7-172.60000112.3L171 N175 F176 V177 T213 L217 D625 I628 R629L171-V173 WeakPolarHBondContact O-CG2 3.37Å; L171-V173 PolarHBondContact O-N 2.86Å; V173-N175 VanDerWaalsContact C-N 3.3Å; V173-N175 PolarHBondContact O-N 3.33Å; V173-F176 WeakPolarHBondContact O-CB 3.49Å; V173-F176 PolarHBondContact O-N 3.36Å; V173-F176 VanDerWaalsContact O-N 3.16Å; V173-V177 HydrophobicContact CG1-CG2 4.41Å; V173-V177 WeakPolarHBondContact O-CG2 3.42Å; V173-V177 PolarHBondContact O-N 2.83Å; V173-T213 HydrophobicContact CG2-CG2 4.29Å; V173-L217 HydrophobicContact CG1-CD2 3.48Å; V173-L217 VanDerWaalsContact CG1-CD2 3.48Å; V173-L217 HydrophobicContact CG2-CD2 4.48Å; V173-D625 HydrophobicContact CB-CB 4.1Å; V173-D625 HydrophobicContact CG2-CB 4.18Å; V173-D625 PolarHBondContact N-OD2 3.4Å; V173-I628 HydrophobicContact CG1-CB 3.96Å; V173-I628 HydrophobicContact CG1-CD1 4.4Å; V173-I628 HydrophobicContact CG1-CG2 3.49Å; V173-I628 VanDerWaalsContact CG1-CG2 3.49Å; V173-R629 HydrophobicContact CG2-CG 4.17Å
174S95.1Very high93.2Very high0 Ų035.5 Ų35.50%016%0.164CC..Hα-helixtrans-54.3-47.1171.644.20000110.9V177 R178 V566 Y570 Q621 D625S174-V177 PolarHBondContact O-N 3.32Å; S174-R178 VanDerWaalsContact O-CB 3.29Å; S174-R178 WeakPolarHBondContact O-CB 3.47Å; S174-R178 PolarHBondContact O-N 3.49Å; S174-V566 WeakPolarHBondContact O-CG1 3.31Å; S174-Y570 PolarHBondContact OG-OH 2.62Å; S174-Q621 WeakPolarHBondContact OG-CG 3.35Å; S174-Q621 PolarHBondContact OG-NE2 3.14Å; S174-D625 WeakPolarHBondContact CA-OD1 3.37Å; S174-D625 WeakPolarHBondContact CB-OD1 3.2Å; S174-D625 PolarHBondContact N-OD1 2.82Å; S174-D625 PolarHBondContact OG-OD1 2.67Å
175N93.4Very high93.7Very high12 Ų1232.8 Ų32.86%0.06415%0.151CC..Hα-helixtrans-64.2-41.7175.7-154.1-9.8000111.4N172 V173 V177 R178 V179 W210 V445N172-N175 HydrophobicContact CB-CB 4.04Å; N172-N175 PolarHBondContact O-N 2.56Å; V173-N175 VanDerWaalsContact C-N 3.3Å; V173-N175 PolarHBondContact O-N 3.33Å; N175-V177 PolarHBondContact O-N 3.1Å; N175-R178 PolarHBondContact O-N 2.88Å; N175-V179 WeakPolarHBondContact O-CB 3.23Å; N175-V179 WeakPolarHBondContact O-CG2 3.45Å; N175-V179 PolarHBondContact O-N 3.06Å; N175-V179 WeakPolarHBondContact OD1-CG2 3.31Å; N175-W210 HydrophobicContact CB-CH2 4.37Å; N175-V445 PolarHBondContact ND2-O 2.98Å; N175-V445 WeakPolarHBondContact OD1-CB 3.25Å; N175-V445 PolarHBondContact OD1-N 2.87Å; N175-V445 VanDerWaalsContact OD1-N 3.14Å
176F96.1Very high94.1Very high0 Ų028.2 Ų28.20%013%0.128CC..Hα-helixtrans-56.9-48.7174.1-178.2-105.1000112.6N172 V173 V179 Y180 A184 L187 W210 T213 L214 L217N172-F176 PolarHBondContact O-N 3.22Å; V173-F176 WeakPolarHBondContact O-CB 3.49Å; V173-F176 PolarHBondContact O-N 3.36Å; V173-F176 VanDerWaalsContact O-N 3.16Å; F176-V179 PolarHBondContact O-N 3.05Å; F176-Y180 AromaticContact CD2-CD2 3.37Å; F176-Y180 HydrophobicContact CD2-CD2 3.37Å; F176-Y180 AromaticContact CD2-CE2 3.57Å; F176-Y180 HydrophobicContact CD2-CE2 3.57Å; F176-Y180 HydrophobicContact CD2-CG 4.33Å; F176-Y180 AromaticContact CE2-CD2 3.42Å; F176-Y180 HydrophobicContact CE2-CD2 3.42Å; F176-Y180 VanDerWaalsContact CE2-CD2 3.42Å; F176-Y180 AromaticContact CE2-CE2 3.55Å; F176-Y180 HydrophobicContact CE2-CE2 3.55Å; F176-Y180 HydrophobicContact CE2-CG 4.03Å; F176-Y180 HydrophobicContact CG-CD2 4.14Å; F176-Y180 HydrophobicContact CZ-CD2 4.2Å; F176-Y180 HydrophobicContact CZ-CG 4.44Å; F176-Y180 WeakPolarHBondContact O-CB 3.44Å; F176-Y180 WeakPolarHBondContact O-CD2 3.21Å; F176-Y180 PolarHBondContact O-N 3.05Å; F176-A184 HydrophobicContact CD1-CB 3.98Å; F176-A184 HydrophobicContact CE1-CB 3.61Å; F176-A184 HydrophobicContact CZ-CB 4.38Å; F176-L187 HydrophobicContact CE2-CD1 4.31Å; F176-L187 HydrophobicContact CZ-CD1 3.93Å; F176-W210 VanDerWaalsContact CA-CZ3 3.47Å; F176-W210 HydrophobicContact CB-CE3 4.06Å; F176-W210 HydrophobicContact CB-CH2 4.49Å; F176-W210 HydrophobicContact CB-CZ3 3.63Å; F176-W210 HydrophobicContact CD2-CD2 4.24Å; F176-W210 AromaticContact CD2-CE3 3.61Å; F176-W210 HydrophobicContact CD2-CE3 3.61Å; F176-W210 AromaticContact CD2-CZ3 3.98Å; F176-W210 HydrophobicContact CD2-CZ3 3.98Å; F176-W210 HydrophobicContact CG-CE3 4.32Å; F176-W210 HydrophobicContact CG-CZ3 4.32Å; F176-T213 HydrophobicContact CB-CG2 3.68Å; F176-T213 HydrophobicContact CD2-CG2 4.49Å; F176-T213 HydrophobicContact CG-CG2 4.1Å; F176-L214 HydrophobicContact CE1-CD1 4.32Å; F176-L214 HydrophobicContact CE2-CB 4.43Å; F176-L214 HydrophobicContact CZ-CB 4.06Å; F176-L214 HydrophobicContact CZ-CD1 4.1Å; F176-L217 HydrophobicContact CD1-CD1 4.35Å; F176-L217 HydrophobicContact CE1-CD1 4.06Å
177V96.2Very high94.4Very high0 Ų027.9 Ų27.90%013%0.125CC..Hα-helixtrans-66-37.1177.2172.20000111.7V173 S174 N175 K181 I559 L562 V563 V566 I628 F632V173-V177 HydrophobicContact CG1-CG2 4.41Å; V173-V177 WeakPolarHBondContact O-CG2 3.42Å; V173-V177 PolarHBondContact O-N 2.83Å; S174-V177 PolarHBondContact O-N 3.32Å; N175-V177 PolarHBondContact O-N 3.1Å; V177-K181 WeakPolarHBondContact O-CA 3.5Å; V177-K181 PolarHBondContact O-N 3.27Å; V177-I559 HydrophobicContact CG1-CD1 4.32Å; V177-L562 HydrophobicContact CG1-CB 4.03Å; V177-V563 HydrophobicContact CG1-CG2 3.67Å; V177-V566 HydrophobicContact CG1-CG2 4.39Å; V177-I628 HydrophobicContact CG2-CG2 4.15Å; V177-F632 HydrophobicContact CG2-CE2 4.4Å
178R93.8Very high94.6Very high37 Ų3727.6 Ų27.614%0.1412%0.124CC..Hα-helixtrans-64.5-42176.2-170.9177.3-177.1-162.2-1.9112.2S174 N175 K181 V445 D447 V566 Y570S174-R178 VanDerWaalsContact O-CB 3.29Å; S174-R178 WeakPolarHBondContact O-CB 3.47Å; S174-R178 PolarHBondContact O-N 3.49Å; N175-R178 PolarHBondContact O-N 2.88Å; R178-K181 WeakPolarHBondContact O-CG 3.45Å; R178-V445 HydrophobicContact CG-CG2 4.37Å; R178-D447 IonicContact CZ-OD1 2.84Å; R178-D447 IonicContact CZ-OD2 2.69Å; R178-D447 IonicContact NH1-OD1 2.67Å; R178-D447 PolarHBondContact NH1-OD1 2.69Å; R178-D447 IonicContact NH1-OD2 3.87Å; R178-D447 PolarHBondContact NH1-OD2 3.3Å; R178-D447 IonicContact NH2-OD1 3.26Å; R178-D447 PolarHBondContact NH2-OD1 3.02Å; R178-V566 HydrophobicContact CB-CG1 3.91Å; R178-V566 HydrophobicContact CG-CG1 4.46Å; R178-Y570 VanDerWaalsContact NH1-CG 3.31Å
179V93.4Very high94.8Very high21 Ų2124.7 Ų24.713%0.12711%0.111CC..Hα-helixtrans-75.5-58.1-177.6170.40000111.4N175 F176 W210 L442 V445N175-V179 WeakPolarHBondContact O-CB 3.23Å; N175-V179 WeakPolarHBondContact O-CG2 3.45Å; N175-V179 PolarHBondContact O-N 3.06Å; N175-V179 WeakPolarHBondContact OD1-CG2 3.31Å; F176-V179 PolarHBondContact O-N 3.05Å; V179-W210 HydrophobicContact CB-CH2 4.36Å; V179-W210 HydrophobicContact CB-CZ2 4.37Å; V179-W210 HydrophobicContact CG1-CZ2 4.2Å; V179-W210 HydrophobicContact CG2-CH2 4.11Å; V179-W210 HydrophobicContact CG2-CZ2 4.17Å; V179-L442 HydrophobicContact CG1-CB 3.38Å; V179-L442 HydrophobicContact CG1-CD1 3.53Å; V179-L442 HydrophobicContact CG1-CG 4.09Å; V179-V445 HydrophobicContact CG2-CG2 3.75Å
180Y95.4Very high94.9Very high1 Ų121.1 Ų21.10%0.00410%0.097CC..Hα-helixtrans-82.5-18-175.2-70.9-89.9000113.4F176 R182 D183 L187 W210 V439 L442 I522F176-Y180 AromaticContact CD2-CD2 3.37Å; F176-Y180 HydrophobicContact CD2-CD2 3.37Å; F176-Y180 AromaticContact CD2-CE2 3.57Å; F176-Y180 HydrophobicContact CD2-CE2 3.57Å; F176-Y180 HydrophobicContact CD2-CG 4.33Å; F176-Y180 AromaticContact CE2-CD2 3.42Å; F176-Y180 HydrophobicContact CE2-CD2 3.42Å; F176-Y180 VanDerWaalsContact CE2-CD2 3.42Å; F176-Y180 AromaticContact CE2-CE2 3.55Å; F176-Y180 HydrophobicContact CE2-CE2 3.55Å; F176-Y180 HydrophobicContact CE2-CG 4.03Å; F176-Y180 HydrophobicContact CG-CD2 4.14Å; F176-Y180 HydrophobicContact CZ-CD2 4.2Å; F176-Y180 HydrophobicContact CZ-CG 4.44Å; F176-Y180 WeakPolarHBondContact O-CB 3.44Å; F176-Y180 WeakPolarHBondContact O-CD2 3.21Å; F176-Y180 PolarHBondContact O-N 3.05Å; Y180-R182 PolarHBondContact O-N 3.27Å; Y180-R182 VanDerWaalsContact O-N 3.15Å; Y180-D183 WeakPolarHBondContact O-CA 3.49Å; Y180-D183 WeakPolarHBondContact O-CB 3.39Å; Y180-D183 PolarHBondContact O-N 2.78Å; Y180-L187 HydrophobicContact CD1-CD1 3.73Å; Y180-L187 HydrophobicContact CE1-CD1 3.95Å; Y180-L187 HydrophobicContact CG-CD1 4.31Å; Y180-W210 AromaticContact CE2-CD2 3.98Å; Y180-W210 HydrophobicContact CE2-CD2 3.98Å; Y180-W210 AromaticContact CE2-CE2 3.95Å; Y180-W210 HydrophobicContact CE2-CE3 4.44Å; Y180-W210 HydrophobicContact CE2-CG 4.2Å; Y180-W210 HydrophobicContact CE2-CZ2 4.29Å; Y180-V439 HydrophobicContact CE1-CG1 4.44Å; Y180-L442 HydrophobicContact CD1-CD1 4.06Å; Y180-L442 HydrophobicContact CE1-CD1 4.04Å; Y180-L442 HydrophobicContact CE1-CG 4.15Å; Y180-L442 HydrophobicContact CG-CD1 4.41Å; Y180-L442 PolarHBondContact OH-N 3.05Å; Y180-I522 HydrophobicContact CD1-CG2 3.81Å; Y180-I522 HydrophobicContact CE1-CG2 3.81Å
181K95.4Very high95.2Very high120 Ų12019.9 Ų19.952%0.5229%0.09SC..THydrogen-bonded Turntrans52.7-118.9177.1-56.2173.8-173.6172.70111.2V177 R178 D183 A184 I559 V563V177-K181 WeakPolarHBondContact O-CA 3.5Å; V177-K181 PolarHBondContact O-N 3.27Å; R178-K181 WeakPolarHBondContact O-CG 3.45Å; K181-D183 VanDerWaalsContact C-N 3.28Å; K181-D183 PolarHBondContact O-N 3.4Å; K181-A184 WeakPolarHBondContact O-CB 3.35Å; K181-A184 PolarHBondContact O-N 2.82Å; K181-I559 VanDerWaalsContact O-CG1 3.25Å; K181-I559 WeakPolarHBondContact O-CG1 3.41Å; K181-V563 HydrophobicContact CB-CG2 4.26Å
182R94.7Very high95.3Very high123 Ų12319.7 Ų19.746%0.4649%0.089SC..Hα-helixtrans-66.2-30.3178.4-63.3-170.6176.8129.2-1.7112.7Y180 A184 L185 C186 L551 I559 D560Y180-R182 PolarHBondContact O-N 3.27Å; Y180-R182 VanDerWaalsContact O-N 3.15Å; R182-A184 PolarHBondContact O-N 3.22Å; R182-L185 PolarHBondContact O-N 2.66Å; R182-L185 VanDerWaalsContact O-N 3.15Å; R182-C186 PolarHBondContact O-N 3.37Å; R182-L551 HydrophobicContact CB-CD1 4.16Å; R182-I559 HydrophobicContact CB-CG2 4.34Å; R182-I559 HydrophobicContact CG-CG2 3.93Å; R182-D560 IonicContact CZ-OD1 3.53Å; R182-D560 IonicContact CZ-OD2 3.57Å; R182-D560 IonicContact NE-OD1 3.06Å; R182-D560 PolarHBondContact NE-OD1 3.35Å; R182-D560 IonicContact NE-OD2 3.61Å; R182-D560 VanDerWaalsContact NH2-CG 3.3Å; R182-D560 IonicContact NH2-OD1 2.98Å; R182-D560 PolarHBondContact NH2-OD1 2.81Å; R182-D560 VanDerWaalsContact NH2-OD1 3.13Å; R182-D560 IonicContact NH2-OD2 2.7Å; R182-D560 PolarHBondContact NH2-OD2 3.33Å
183D95.4Very high95.4Very high46 Ų4618.1 Ų18.125%0.2468%0.081CC..Hα-helixtrans-67.9-21179-63.1-42.5000112.1Y180 K181 L185 C186 L187 I522 I523Y180-D183 WeakPolarHBondContact O-CA 3.49Å; Y180-D183 WeakPolarHBondContact O-CB 3.39Å; Y180-D183 PolarHBondContact O-N 2.78Å; K181-D183 VanDerWaalsContact C-N 3.28Å; K181-D183 PolarHBondContact O-N 3.4Å; D183-L185 VanDerWaalsContact C-N 3.29Å; D183-L185 PolarHBondContact O-N 2.8Å; D183-C186 WeakPolarHBondContact O-CB 3.28Å; D183-C186 PolarHBondContact O-N 3.01Å; D183-C186 VanDerWaalsContact O-N 3.16Å; D183-L187 WeakPolarHBondContact O-CB 3.47Å; D183-L187 VanDerWaalsContact O-CG 3.25Å; D183-L187 WeakPolarHBondContact O-CG 3.27Å; D183-L187 PolarHBondContact O-N 3.32Å; D183-I522 WeakPolarHBondContact OD2-CD1 3.36Å; D183-I523 HydrophobicContact CB-CD1 3.98Å; D183-I523 HydrophobicContact CB-CG1 4.41Å
184A96.9Very high95.2Very high0 Ų018.5 Ų18.50%08%0.083CC..Hα-helixtrans-58.6-41.1171.400000111.9F176 K181 R182 F188 I559F176-A184 HydrophobicContact CD1-CB 3.98Å; F176-A184 HydrophobicContact CE1-CB 3.61Å; F176-A184 HydrophobicContact CZ-CB 4.38Å; K181-A184 WeakPolarHBondContact O-CB 3.35Å; K181-A184 PolarHBondContact O-N 2.82Å; R182-A184 PolarHBondContact O-N 3.22Å; A184-F188 WeakPolarHBondContact O-CB 3.49Å; A184-F188 PolarHBondContact O-N 3.27Å; A184-F188 VanDerWaalsContact O-N 3.1Å; A184-I559 HydrophobicContact CB-CD1 4.33Å
185L97Very high94.9Very high0 Ų019.9 Ų19.90%09%0.088CC..Hα-helixtrans-74.6-34.3175-176.862.1000111.9R182 D183 F188 K189 L551 D555 F558 I559 F632 Y635R182-L185 PolarHBondContact O-N 2.66Å; R182-L185 VanDerWaalsContact O-N 3.15Å; D183-L185 VanDerWaalsContact C-N 3.29Å; D183-L185 PolarHBondContact O-N 2.8Å; L185-F188 HydrophobicContact CD1-CD1 4.45Å; L185-F188 PolarHBondContact O-N 3.41Å; L185-K189 WeakPolarHBondContact O-CB 3.45Å; L185-K189 PolarHBondContact O-N 3.44Å; L185-L551 HydrophobicContact CD2-CD1 4.4Å; L185-L551 HydrophobicContact CD2-CD2 4.05Å; L185-L551 HydrophobicContact CG-CD2 4.16Å; L185-D555 HydrophobicContact CD2-CB 3.71Å; L185-D555 WeakPolarHBondContact CD2-O 3.4Å; L185-F558 HydrophobicContact CD1-CD1 4.36Å; L185-F558 HydrophobicContact CD1-CE1 4.26Å; L185-F558 HydrophobicContact CD2-CD1 4.2Å; L185-I559 HydrophobicContact CB-CB 4.16Å; L185-I559 HydrophobicContact CB-CD1 4.3Å; L185-I559 HydrophobicContact CB-CG1 4.07Å; L185-I559 HydrophobicContact CD2-CB 4.2Å; L185-I559 HydrophobicContact CD2-CG2 4.42Å; L185-F632 HydrophobicContact CD1-CE1 4.09Å; L185-Y635 HydrophobicContact CD1-CD1 4.34Å; L185-Y635 HydrophobicContact CD1-CE1 3.83Å; L185-Y635 HydrophobicContact CD1-CE2 4.23Å; L185-Y635 HydrophobicContact CD2-CE2 4.42Å
186C96.6Very high94.8Very high14 Ų1419.4 Ų19.410%0.0959%0.085CC..Hα-helixtrans-62-44.6173.1-60.20000111.6R182 D183 K189 L190 I523R182-C186 PolarHBondContact O-N 3.37Å; D183-C186 WeakPolarHBondContact O-CB 3.28Å; D183-C186 PolarHBondContact O-N 3.01Å; D183-C186 VanDerWaalsContact O-N 3.16Å; C186-K189 PolarHBondContact O-N 3.19Å; C186-L190 WeakPolarHBondContact O-CB 3.45Å; C186-L190 PolarHBondContact O-N 3.42Å; C186-I523 HydrophobicContact CB-CD1 3.52Å
187L96.8Very high94.7Very high1 Ų119.4 Ų19.41%0.0059%0.085CC..Hα-helixtrans-65.4-41177.6-70.4174.8000112F176 Y180 D183 L190 L191 F199 L214 V439 I523F176-L187 HydrophobicContact CE2-CD1 4.31Å; F176-L187 HydrophobicContact CZ-CD1 3.93Å; Y180-L187 HydrophobicContact CD1-CD1 3.73Å; Y180-L187 HydrophobicContact CE1-CD1 3.95Å; Y180-L187 HydrophobicContact CG-CD1 4.31Å; D183-L187 WeakPolarHBondContact O-CB 3.47Å; D183-L187 VanDerWaalsContact O-CG 3.25Å; D183-L187 WeakPolarHBondContact O-CG 3.27Å; D183-L187 PolarHBondContact O-N 3.32Å; L187-L190 PolarHBondContact O-N 3.14Å; L187-L191 PolarHBondContact O-N 2.94Å; L187-L191 VanDerWaalsContact O-N 3.11Å; L187-F199 HydrophobicContact CD1-CE1 4.26Å; L187-F199 HydrophobicContact CD1-CZ 4.26Å; L187-F199 HydrophobicContact CD2-CZ 4.03Å; L187-L214 HydrophobicContact CB-CD1 4.08Å; L187-L214 HydrophobicContact CB-CD2 3.98Å; L187-V439 HydrophobicContact CD1-CG1 4.21Å; L187-V439 HydrophobicContact CD2-CB 4.31Å; L187-V439 HydrophobicContact CD2-CG1 3.77Å; L187-V439 HydrophobicContact CD2-CG2 3.54Å; L187-I523 HydrophobicContact CD2-CD1 3.86Å; L187-I523 HydrophobicContact CD2-CG1 4.07Å; L187-I523 HydrophobicContact CG-CD1 3.99Å
188F96.9Very high94.6Very high0 Ų019.5 Ų19.50%09%0.085CC..Hα-helixtrans-57.6-58.9169.4-173.8-88.7000110.1A184 L185 L190 L191 L192 L214 L217 Y218 F632 Y635 L636A184-F188 WeakPolarHBondContact O-CB 3.49Å; A184-F188 PolarHBondContact O-N 3.27Å; A184-F188 VanDerWaalsContact O-N 3.1Å; L185-F188 HydrophobicContact CD1-CD1 4.45Å; L185-F188 PolarHBondContact O-N 3.41Å; F188-L190 PolarHBondContact O-N 2.82Å; F188-L190 VanDerWaalsContact O-N 3.09Å; F188-L191 PolarHBondContact O-N 3.15Å; F188-L191 VanDerWaalsContact O-N 3.1Å; F188-L192 HydrophobicContact CD1-CD1 4.41Å; F188-L192 HydrophobicContact CE1-CD1 4Å; F188-L192 PolarHBondContact O-N 2.68Å; F188-L214 HydrophobicContact CB-CD1 4.43Å; F188-L217 HydrophobicContact CD2-CB 3.86Å; F188-L217 HydrophobicContact CD2-CD1 4.19Å; F188-L217 HydrophobicContact CE2-CB 3.92Å; F188-Y218 WeakPolarHBondContact CA-OH 3.21Å; F188-Y218 HydrophobicContact CD2-CD2 4.31Å; F188-Y218 HydrophobicContact CD2-CE1 4.07Å; F188-Y218 AromaticContact CD2-CE2 3.51Å; F188-Y218 HydrophobicContact CD2-CE2 3.51Å; F188-Y218 AromaticContact CD2-CZ 3.37Å; F188-Y218 VanDerWaalsContact CD2-OH 3.31Å; F188-Y218 WeakPolarHBondContact CD2-OH 3.17Å; F188-Y218 HydrophobicContact CE1-CE1 4.15Å; F188-Y218 AromaticContact CE2-CD1 3.98Å; F188-Y218 HydrophobicContact CE2-CD1 3.98Å; F188-Y218 HydrophobicContact CE2-CD2 4.07Å; F188-Y218 AromaticContact CE2-CE1 3.52Å; F188-Y218 HydrophobicContact CE2-CE1 3.52Å; F188-Y218 AromaticContact CE2-CE2 3.61Å; F188-Y218 HydrophobicContact CE2-CE2 3.61Å; F188-Y218 HydrophobicContact CE2-CG 4.22Å; F188-Y218 AromaticContact CE2-CZ 3.32Å; F188-Y218 HydrophobicContact CG-CE2 4.31Å; F188-Y218 AromaticContact CG-CZ 3.86Å; F188-Y218 VanDerWaalsContact CG-OH 3.29Å; F188-Y218 WeakPolarHBondContact CG-OH 3.45Å; F188-Y218 HydrophobicContact CZ-CD1 4.14Å; F188-Y218 AromaticContact CZ-CE1 3.56Å; F188-Y218 HydrophobicContact CZ-CE1 3.56Å; F188-Y218 HydrophobicContact CZ-CE2 4.47Å; F188-Y218 AromaticContact CZ-CZ 3.75Å; F188-Y218 PolarHBondContact O-OH 3.47Å; F188-F632 HydrophobicContact CB-CE1 4.08Å; F188-F632 HydrophobicContact CD1-CD1 4.22Å; F188-F632 HydrophobicContact CD1-CE1 4.43Å; F188-F632 AromaticContact CD2-CD1 3.56Å; F188-F632 HydrophobicContact CD2-CD1 3.56Å; F188-F632 AromaticContact CD2-CE1 3.93Å; F188-F632 HydrophobicContact CD2-CE1 3.93Å; F188-F632 HydrophobicContact CD2-CG 4.48Å; F188-F632 HydrophobicContact CE1-CD1 4.33Å; F188-F632 HydrophobicContact CE2-CB 4.26Å; F188-F632 AromaticContact CE2-CD1 3.68Å; F188-F632 HydrophobicContact CE2-CD1 3.68Å; F188-F632 HydrophobicContact CE2-CE1 4.49Å; F188-F632 HydrophobicContact CE2-CG 4.35Å; F188-F632 AromaticContact CG-CD1 3.85Å; F188-F632 HydrophobicContact CG-CD1 3.85Å; F188-F632 AromaticContact CG-CE1 3.9Å; F188-F632 HydrophobicContact CG-CE1 3.9Å; F188-F632 HydrophobicContact CZ-CD1 4.07Å; F188-Y635 HydrophobicContact CE1-CD1 4.12Å; F188-Y635 HydrophobicContact CE1-CE1 4.38Å; F188-L636 HydrophobicContact CE1-CD1 4.46Å; F188-L636 HydrophobicContact CZ-CB 4.22Å; F188-L636 HydrophobicContact CZ-CD1 4.43Å; F188-L636 HydrophobicContact CZ-CD2 4.42Å
189K96.4Very high94.6Very high1 Ų117.7 Ų17.70%0.0048%0.079CC..Hα-helixtrans-53.2-38177.9-83.7-161.6175.3-167.60113.7L185 C186 L193 L549 L551 D555 Y635 F653 Y657L185-K189 WeakPolarHBondContact O-CB 3.45Å; L185-K189 PolarHBondContact O-N 3.44Å; C186-K189 PolarHBondContact O-N 3.19Å; K189-L193 WeakPolarHBondContact O-CG 3.4Å; K189-L193 PolarHBondContact O-N 3.32Å; K189-L549 HydrophobicContact CB-CD2 4.23Å; K189-L551 HydrophobicContact CD-CD2 4.32Å; K189-D555 IonicContact NZ-OD1 3.25Å; K189-D555 PolarHBondContact NZ-OD1 3.16Å; K189-D555 IonicContact NZ-OD2 3.71Å; K189-D555 PolarHBondContact NZ-OD2 2.75Å; K189-Y635 WeakPolarHBondContact CE-OH 3.3Å; K189-Y635 PolarHBondContact NZ-OH 3.43Å; K189-F653 PolarHBondContact NZ-O 3.37Å; K189-Y657 WeakPolarHBondContact CA-OH 3.49Å; K189-Y657 HydrophobicContact CB-CD2 4.39Å; K189-Y657 HydrophobicContact CB-CE2 3.56Å; K189-Y657 HydrophobicContact CD-CD1 4.24Å; K189-Y657 HydrophobicContact CD-CD2 3.86Å; K189-Y657 HydrophobicContact CD-CE1 4.13Å; K189-Y657 HydrophobicContact CD-CE2 3.74Å; K189-Y657 HydrophobicContact CD-CG 4.11Å; K189-Y657 HydrophobicContact CG-CD2 4.46Å; K189-Y657 HydrophobicContact CG-CE1 4.23Å; K189-Y657 HydrophobicContact CG-CE2 3.82Å; K189-Y657 WeakPolarHBondContact O-CE2 3.09Å; K189-Y657 PolarHBondContact O-OH 3.17Å
190L95.2Very high94.6Very high0 Ų017.2 Ų17.20%08%0.076CC..Hα-helixtrans-68.9-36.2-178.9179.463.7000113C186 L187 F188 L193 R195 I197 V437 L545 L549C186-L190 WeakPolarHBondContact O-CB 3.45Å; C186-L190 PolarHBondContact O-N 3.42Å; L187-L190 PolarHBondContact O-N 3.14Å; F188-L190 PolarHBondContact O-N 2.82Å; F188-L190 VanDerWaalsContact O-N 3.09Å; L190-L193 PolarHBondContact O-N 2.81Å; L190-R195 HydrophobicContact CD1-CB 3.79Å; L190-R195 HydrophobicContact CD1-CG 3.64Å; L190-I197 HydrophobicContact CB-CD1 4.39Å; L190-I197 HydrophobicContact CD2-CD1 3.71Å; L190-I197 HydrophobicContact CD2-CG1 3.95Å; L190-I197 HydrophobicContact CD2-CG2 4.18Å; L190-I197 HydrophobicContact CG-CD1 3.55Å; L190-I197 HydrophobicContact CG-CG1 4.02Å; L190-V437 HydrophobicContact CD1-CG2 3.92Å; L190-V437 HydrophobicContact CD2-CB 4Å; L190-V437 HydrophobicContact CD2-CG1 3.72Å; L190-V437 HydrophobicContact CD2-CG2 4Å; L190-L545 HydrophobicContact CD1-CD1 4.15Å; L190-L545 HydrophobicContact CD1-CD2 4.13Å; L190-L549 HydrophobicContact CB-CD2 4.05Å; L190-L549 HydrophobicContact CD1-CD1 4.09Å; L190-L549 HydrophobicContact CD1-CD2 4.4Å
191L94.7Very high94.4Very high4 Ų417.8 Ų17.82%0.0218%0.082CC..Hα-helixtrans-64.1-43176-179.268.6000111.3L187 F188 L193 E194 L215 Y218 V366 F367 V420L187-L191 PolarHBondContact O-N 2.94Å; L187-L191 VanDerWaalsContact O-N 3.11Å; F188-L191 PolarHBondContact O-N 3.15Å; F188-L191 VanDerWaalsContact O-N 3.1Å; L191-L193 PolarHBondContact O-N 3.09Å; L191-E194 PolarHBondContact O-N 2.79Å; L191-L215 HydrophobicContact CD2-CD2 4.02Å; L191-Y218 HydrophobicContact CB-CE2 4.43Å; L191-Y218 HydrophobicContact CD2-CD2 3.85Å; L191-Y218 HydrophobicContact CD2-CE2 3.4Å; L191-Y218 VanDerWaalsContact CD2-CE2 3.4Å; L191-Y218 HydrophobicContact CG-CE2 4.41Å; L191-V366 HydrophobicContact CD1-CG1 4.09Å; L191-V366 HydrophobicContact CG-CG1 4.14Å; L191-F367 HydrophobicContact CD1-CE1 4.15Å; L191-F367 HydrophobicContact CD1-CE2 4.33Å; L191-F367 HydrophobicContact CD1-CZ 3.51Å; L191-F367 HydrophobicContact CD2-CE2 4.36Å; L191-F367 HydrophobicContact CD2-CZ 4.24Å; L191-F367 HydrophobicContact CG-CZ 4.44Å; L191-V420 HydrophobicContact CD1-CB 4.43Å; L191-V420 HydrophobicContact CD1-CG2 3.4Å
192L94.7Very high94.1Very high0 Ų018.4 Ų18.40%09%0.091CC..Hα-helixtrans-61.6-27.8175.7-73.9173.1000113.1F188 E194 Y218 L364 L636 L639 Y657 F661 N666F188-L192 HydrophobicContact CD1-CD1 4.41Å; F188-L192 HydrophobicContact CE1-CD1 4Å; F188-L192 PolarHBondContact O-N 2.68Å; L192-E194 PolarHBondContact O-N 3.34Å; L192-Y218 HydrophobicContact CD1-CE1 4.26Å; L192-Y218 HydrophobicContact CD2-CE1 3.72Å; L192-Y218 HydrophobicContact CG-CE1 3.8Å; L192-L364 HydrophobicContact CD2-CD1 3.77Å; L192-L636 HydrophobicContact CD1-CD1 3.79Å; L192-L636 HydrophobicContact CD2-CD1 4.32Å; L192-L639 HydrophobicContact CD1-CD2 3.76Å; L192-Y657 WeakPolarHBondContact CB-OH 3.36Å; L192-F661 HydrophobicContact CB-CD2 4.16Å; L192-F661 HydrophobicContact CB-CE2 3.86Å; L192-F661 HydrophobicContact CD1-CE2 4.47Å; L192-F661 HydrophobicContact CD1-CZ 4.35Å; L192-F661 HydrophobicContact CD2-CE2 4.04Å; L192-F661 HydrophobicContact CD2-CZ 4.2Å; L192-F661 HydrophobicContact CG-CE2 4.34Å; L192-N666 PolarHBondContact O-ND2 3.38Å
193L93.6Very high93.9Very high0 Ų012.8 Ų12.80%07%0.07CC..THydrogen-bonded Turntrans-76.43.2175.5-68.3-179.2000114.3K189 L190 L191 R195 M541 L545 A548 L549 Y657 C660 F661 T664K189-L193 WeakPolarHBondContact O-CG 3.4Å; K189-L193 PolarHBondContact O-N 3.32Å; L190-L193 PolarHBondContact O-N 2.81Å; L191-L193 PolarHBondContact O-N 3.09Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 HydrophobicContact CB-CG 3.94Å; L193-R195 PolarHBondContact O-N 3.27Å; L193-R195 PolarHBondContact O-NE 3.4Å; L193-M541 HydrophobicContact CB-CE 4.48Å; L193-M541 HydrophobicContact CD1-CE 4.19Å; L193-M541 HydrophobicContact CD2-CE 3.99Å; L193-M541 HydrophobicContact CG-CE 4.45Å; L193-L545 HydrophobicContact CD1-CD1 3.69Å; L193-A548 HydrophobicContact CD1-CB 4.43Å; L193-L549 HydrophobicContact CD1-CD2 3.96Å; L193-Y657 HydrophobicContact CD1-CD2 4Å; L193-Y657 HydrophobicContact CD1-CE2 3.62Å; L193-Y657 HydrophobicContact CD2-CD2 4.26Å; L193-Y657 HydrophobicContact CD2-CE2 3.77Å; L193-Y657 HydrophobicContact CG-CD2 4.31Å; L193-Y657 HydrophobicContact CG-CE2 3.57Å; L193-C660 HydrophobicContact CD2-CB 3.9Å; L193-F661 HydrophobicContact CD2-CB 4.19Å; L193-T664 HydrophobicContact CD2-CG2 4.49Å
194E91.5Very high93.7Very high9 Ų910.6 Ų10.64%0.0426%0.059CC..THydrogen-bonded Turntrans56.239.5172.2-63.5-173.5155.700113.8L191 L192 Y371 R417 T664 R665 N666L191-E194 PolarHBondContact O-N 2.79Å; L192-E194 PolarHBondContact O-N 3.34Å; E194-Y371 HydrophobicContact CB-CE1 3.62Å; E194-Y371 HydrophobicContact CB-CE2 4.47Å; E194-Y371 WeakPolarHBondContact CB-OH 3.42Å; E194-Y371 HydrophobicContact CG-CE1 4.31Å; E194-Y371 HydrophobicContact CG-CE2 4.48Å; E194-Y371 WeakPolarHBondContact O-CE1 3.35Å; E194-Y371 PolarHBondContact OE2-OH 3.42Å; E194-Y371 VanDerWaalsContact OE2-OH 3.09Å; E194-R417 IonicContact OE2-NH2 2.72Å; E194-T664 HydrophobicContact CB-CG2 4.46Å; E194-T664 HydrophobicContact CG-CG2 4.26Å; E194-R665 VanDerWaalsContact CD-N 3.29Å; E194-R665 WeakPolarHBondContact OE1-CB 3.25Å; E194-R665 PolarHBondContact OE1-N 3.12Å; E194-R665 PolarHBondContact OE2-N 3.02Å; E194-N666 WeakPolarHBondContact CG-ND2 3.29Å; E194-N666 WeakPolarHBondContact OE1-CB 3.24Å; E194-N666 VanDerWaalsContact OE1-CG 3.31Å; E194-N666 PolarHBondContact OE1-N 3.02Å
195R90Very high93.4Very high28 Ų2810.7 Ų10.711%0.1066%0.06CC..  trans-86.6167.1-174.6-63.9-64.4126.2179.70.4113.1L190 L193 I197 E436 R539 M541 L545L190-R195 HydrophobicContact CD1-CB 3.79Å; L190-R195 HydrophobicContact CD1-CG 3.64Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 HydrophobicContact CB-CG 3.94Å; L193-R195 PolarHBondContact O-N 3.27Å; L193-R195 PolarHBondContact O-NE 3.4Å; R195-I197 HydrophobicContact CB-CG1 4.22Å; R195-I197 PolarHBondContact O-N 2.99Å; R195-E436 WeakPolarHBondContact CD-OE2 3.47Å; R195-E436 IonicContact CZ-OE2 2.77Å; R195-E436 IonicContact NE-OE2 3.62Å; R195-E436 IonicContact NH1-OE2 3.24Å; R195-E436 PolarHBondContact NH1-OE2 2.97Å; R195-R539 PolarHBondContact NH1-O 2.93Å; R195-M541 VanDerWaalsContact CZ-SD 3.55Å; R195-L545 HydrophobicContact CG-CD1 4.22Å; R195-L545 HydrophobicContact CG-CD2 4.19Å
196R90.4Very high93.2Very high2 Ų212 Ų121%0.0087%0.068CC..EExtended strand (participates in β ladder)trans-87.192.4171.2-71166.9157.8-108.1-8.1110R414 V416 F419 L434 E436 V437R196-R414 VanDerWaalsContact NH1-NH1 3.12Å; R196-V416 PolarHBondContact NH2-O 3.39Å; R196-F419 HydrophobicContact CB-CD1 4.4Å; R196-F419 HydrophobicContact CB-CE1 3.92Å; R196-F419 HydrophobicContact CB-CE2 4.37Å; R196-F419 HydrophobicContact CB-CZ 3.9Å; R196-F419 HydrophobicContact CG-CD1 4.02Å; R196-F419 HydrophobicContact CG-CE1 3.77Å; R196-F419 HydrophobicContact CG-CZ 4.28Å; R196-L434 PolarHBondContact NH1-O 3.4Å; R196-E436 HydrophobicContact CB-CB 4.34Å; R196-E436 HydrophobicContact CB-CG 4.27Å; R196-E436 PolarHBondContact O-N 3.49Å; R196-V437 PolarHBondContact O-N 2.82Å; R196-V437 VanDerWaalsContact O-N 3.13Å
197I93.3Very high93.1Very high1 Ų111.4 Ų11.41%0.0056%0.064CC..EExtended strand (participates in β ladder)trans-104.8129-174.5-41.1175.1000109.7L190 R195 F199 F419 V420 A421 V437 V439L190-I197 HydrophobicContact CB-CD1 4.39Å; L190-I197 HydrophobicContact CD2-CD1 3.71Å; L190-I197 HydrophobicContact CD2-CG1 3.95Å; L190-I197 HydrophobicContact CD2-CG2 4.18Å; L190-I197 HydrophobicContact CG-CD1 3.55Å; L190-I197 HydrophobicContact CG-CG1 4.02Å; R195-I197 HydrophobicContact CB-CG1 4.22Å; R195-I197 PolarHBondContact O-N 2.99Å; I197-F199 HydrophobicContact CG2-CD2 4.16Å; I197-F199 HydrophobicContact CG2-CE2 3.9Å; I197-F419 PolarHBondContact N-O 3.06Å; I197-F419 WeakPolarHBondContact O-CD2 3.33Å; I197-V420 HydrophobicContact CB-CG2 4.11Å; I197-V420 HydrophobicContact CD1-CG2 3.66Å; I197-V420 HydrophobicContact CG1-CG2 4.04Å; I197-V420 WeakPolarHBondContact O-CA 3.36Å; I197-A421 PolarHBondContact O-N 2.93Å; I197-V437 WeakPolarHBondContact CA-O 3.27Å; I197-V439 HydrophobicContact CG2-CG2 3.62Å
198L93.9Very high93Very high1 Ų111.3 Ų11.31%0.0056%0.063CC..EExtended strand (participates in β ladder)trans-117.6115.4170-175.575.1000110.4T200 A421 A423 L428 T435 V437 F438 V439L198-T200 HydrophobicContact CD2-CG2 3.73Å; L198-T200 HydrophobicContact CG-CG2 3.88Å; L198-A421 CarbonylContact C-O 3.39Å; L198-A421 WeakPolarHBondContact CA-O 3.33Å; L198-A421 HydrophobicContact CD1-CB 3.72Å; L198-A423 HydrophobicContact CD1-CB 3.93Å; L198-A423 HydrophobicContact CG-CB 4.47Å; L198-L428 HydrophobicContact CD2-CB 3.82Å; L198-T435 HydrophobicContact CB-CG2 3.58Å; L198-T435 HydrophobicContact CD2-CG2 4.21Å; L198-T435 HydrophobicContact CG-CG2 4.45Å; L198-V437 PolarHBondContact N-O 2.96Å; L198-F438 HydrophobicContact CB-CD1 4.07Å; L198-F438 HydrophobicContact CB-CE1 4.42Å; L198-F438 HydrophobicContact CD2-CD1 3.96Å; L198-F438 HydrophobicContact CD2-CE1 3.8Å; L198-F438 CarbonylContact O-C 3.55Å; L198-F438 WeakPolarHBondContact O-CA 3.3Å; L198-V439 PolarHBondContact O-N 2.99Å
199F95Very high92.9Very high0 Ų012 Ų120%07%0.067CC..EExtended strand (participates in β ladder)trans-79.4133.3166.4-76-105.6000109.5L187 I197 V207 M211 L214 V420 A421 G422 A423 V439L187-F199 HydrophobicContact CD1-CE1 4.26Å; L187-F199 HydrophobicContact CD1-CZ 4.26Å; L187-F199 HydrophobicContact CD2-CZ 4.03Å; I197-F199 HydrophobicContact CG2-CD2 4.16Å; I197-F199 HydrophobicContact CG2-CE2 3.9Å; F199-V207 HydrophobicContact CB-CG1 3.86Å; F199-M211 HydrophobicContact CB-CG 4.25Å; F199-M211 HydrophobicContact CB-SD 4.12Å; F199-M211 HydrophobicContact CD1-CG 4.3Å; F199-M211 HydrophobicContact CD2-CG 3.86Å; F199-M211 HydrophobicContact CD2-SD 4.35Å; F199-M211 HydrophobicContact CE2-CG 4.28Å; F199-M211 HydrophobicContact CG-CG 3.88Å; F199-M211 HydrophobicContact CG-SD 4.34Å; F199-L214 HydrophobicContact CE2-CD2 4.28Å; F199-L214 HydrophobicContact CZ-CD2 3.73Å; F199-V420 HydrophobicContact CD2-CG1 4.2Å; F199-V420 HydrophobicContact CE2-CG1 3.98Å; F199-A421 PolarHBondContact N-O 3.35Å; F199-G422 CarbonylContact O-C 3.59Å; F199-A423 PolarHBondContact O-N 3.29Å; F199-V439 CarbonylContact C-O 3.56Å; F199-V439 WeakPolarHBondContact CA-O 3.49Å; F199-V439 HydrophobicContact CD1-CB 3.9Å; F199-V439 HydrophobicContact CD1-CG1 3.71Å; F199-V439 HydrophobicContact CD2-CB 4.36Å; F199-V439 HydrophobicContact CE1-CB 4.01Å; F199-V439 HydrophobicContact CE1-CG1 3.52Å; F199-V439 HydrophobicContact CE2-CB 4.44Å; F199-V439 HydrophobicContact CE2-CG2 4.32Å; F199-V439 HydrophobicContact CG-CB 4.08Å; F199-V439 HydrophobicContact CG-CG1 4.4Å; F199-V439 HydrophobicContact CZ-CB 4.26Å; F199-V439 HydrophobicContact CZ-CG1 4.05Å; F199-V439 HydrophobicContact CZ-CG2 4.29Å
200T93.3Very high92.8Very high10 Ų1012.1 Ų12.16%0.0617%0.067CC..EExtended strand (participates in β ladder)trans-132130.8-179.557.80000111.1L198 A423 Q429 V439 S441L198-T200 HydrophobicContact CD2-CG2 3.73Å; L198-T200 HydrophobicContact CG-CG2 3.88Å; T200-A423 VanDerWaalsContact CA-O 3.32Å; T200-A423 WeakPolarHBondContact CA-O 3.42Å; T200-Q429 HydrophobicContact CG2-CG 3.88Å; T200-Q429 PolarHBondContact OG1-NE2 3.42Å; T200-V439 PolarHBondContact N-O 3.41Å; T200-V439 PolarHBondContact OG1-O 2.96Å; T200-S441 WeakPolarHBondContact O-CB 3.45Å; T200-S441 PolarHBondContact O-N 3.21Å
201G91.4Very high92.9Very high13 Ų1312.2 Ų12.213%0.1347%0.068CC..  trans-163174.8175.800000112S203 A423 T424G201-S203 VanDerWaalsContact C-N 3.31Å; G201-S203 PolarHBondContact O-N 3.49Å; G201-A423 PolarHBondContact N-O 3.24Å; G201-T424 VanDerWaalsContact O-CA 3.26Å; G201-T424 WeakPolarHBondContact O-CA 3.19Å; G201-T424 WeakPolarHBondContact O-CG2 3.4Å
202D88.7Confident93Very high133 Ų13312 Ų1271%0.7117%0.067SC*.SBendtrans-73.3-23.2-170.7-52.7-41.3000113.6Y59Y59-D202 VanDerWaalsContact OH-CB 3.23Å; Y59-D202 WeakPolarHBondContact OH-CB 3.29Å; Y59-D202 PolarHBondContact OH-O 2.71Å; Y59-D202 VanDerWaalsContact OH-O 3.12Å
203S91Very high93.1Very high5 Ų512 Ų124%0.0357%0.067CC..  trans-120.5137.5-178.9157.40000112.4D62 G201 G205 T206 V207 L456D62-S203 VanDerWaalsContact CG-OG 3.25Å; D62-S203 PolarHBondContact OD1-OG 3.17Å; D62-S203 WeakPolarHBondContact OD2-CB 3.48Å; D62-S203 PolarHBondContact OD2-OG 2.96Å; G201-S203 VanDerWaalsContact C-N 3.31Å; G201-S203 PolarHBondContact O-N 3.49Å; S203-G205 PolarHBondContact OG-N 3.08Å; S203-T206 PolarHBondContact OG-N 3.18Å; S203-T206 VanDerWaalsContact OG-N 3.13Å; S203-V207 WeakPolarHBondContact O-CB 3.27Å; S203-V207 VanDerWaalsContact O-CG2 3.23Å; S203-V207 WeakPolarHBondContact O-CG2 3.28Å; S203-V207 PolarHBondContact O-N 3.04Å; S203-L456 WeakPolarHBondContact OG-CD1 3.29Å; S203-L456 WeakPolarHBondContact OG-CD2 3.18Å
204G90.5Very high93.3Very high0 Ų012.2 Ų12.20%07%0.068CC..Hα-helixtrans-67.4-41.3176.400000111.3D62 V207 S208D62-G204 PolarHBondContact OD2-N 2.73Å; D62-G204 VanDerWaalsContact OD2-N 3.15Å; G204-V207 PolarHBondContact O-N 2.7Å; G204-S208 WeakPolarHBondContact O-CB 3.28Å; G204-S208 PolarHBondContact O-N 2.62Å; G204-S208 PolarHBondContact O-OG 2.94Å
205G91.6Very high93.5Very high2 Ų211.9 Ų11.92%0.0217%0.066CC..Hα-helixtrans-67.4-39.6179.400000113.7D62 C63 S203 S208 N209D62-G205 VanDerWaalsContact OD1-CA 3.27Å; D62-G205 WeakPolarHBondContact OD1-CA 3.17Å; D62-G205 PolarHBondContact OD1-N 3.37Å; D62-G205 VanDerWaalsContact OD1-N 3.14Å; D62-G205 PolarHBondContact OD2-N 3.02Å; C63-G205 WeakPolarHBondContact O-CA 3.46Å; S203-G205 PolarHBondContact OG-N 3.08Å; G205-S208 PolarHBondContact O-OG 3.12Å; G205-N209 WeakPolarHBondContact O-CB 3.26Å; G205-N209 PolarHBondContact O-N 3.45Å
206T92.1Very high93.8Very high29 Ų2910.7 Ų10.718%0.1786%0.062CC..Hα-helixtrans-63.9-45.6174.5-63.50000111.4S203 W210 P444 L456S203-T206 PolarHBondContact OG-N 3.18Å; S203-T206 VanDerWaalsContact OG-N 3.13Å; T206-W210 VanDerWaalsContact O-CD1 3.25Å; T206-W210 PolarHBondContact O-N 3.37Å; T206-W210 VanDerWaalsContact O-N 3.08Å; T206-P444 HydrophobicContact CG2-CG 4.46Å; T206-L456 WeakPolarHBondContact OG1-CD1 3.42Å
207V93.6Very high94.1Very high0 Ų010.8 Ų10.80%06%0.063CC..Hα-helixtrans-61.1-51.8178.3168.90000110.9F199 S203 G204 N209 W210 M211 G422F199-V207 HydrophobicContact CB-CG1 3.86Å; S203-V207 WeakPolarHBondContact O-CB 3.27Å; S203-V207 VanDerWaalsContact O-CG2 3.23Å; S203-V207 WeakPolarHBondContact O-CG2 3.28Å; S203-V207 PolarHBondContact O-N 3.04Å; G204-V207 PolarHBondContact O-N 2.7Å; V207-N209 PolarHBondContact O-N 2.89Å; V207-W210 PolarHBondContact O-N 3.44Å; V207-M211 HydrophobicContact CG1-SD 3.91Å; V207-M211 WeakPolarHBondContact O-CG 3.44Å; V207-M211 PolarHBondContact O-N 2.92Å; V207-G422 VanDerWaalsContact CG1-CA 3.41Å
208S94.8Very high94.2Very high0 Ų011.1 Ų11.10%06%0.064CC..Hα-helixtrans-67.2-35-177.562.70000112.6Y65 G204 G205 M211 L212 L375Y65-S208 WeakPolarHBondContact CD2-OG 3.19Å; Y65-S208 PolarHBondContact N-OG 2.94Å; G204-S208 WeakPolarHBondContact O-CB 3.28Å; G204-S208 PolarHBondContact O-N 2.62Å; G204-S208 PolarHBondContact O-OG 2.94Å; G205-S208 PolarHBondContact O-OG 3.12Å; S208-M211 PolarHBondContact O-N 3.49Å; S208-L212 WeakPolarHBondContact O-CG 3.31Å; S208-L212 PolarHBondContact O-N 3.18Å; S208-L375 WeakPolarHBondContact CB-O 3.33Å
209N94.8Very high94.1Very high13 Ų1312.1 Ų12.17%0.077%0.071CC..Hα-helixtrans-67.8-38.3175.6-165.172.8000112.4Y65 S118 L171 G205 V207 L212 T213Y65-N209 HydrophobicContact CE2-CB 4.26Å; S118-N209 PolarHBondContact OG-OD1 3.26Å; L171-N209 WeakPolarHBondContact CD2-OD1 3.09Å; G205-N209 WeakPolarHBondContact O-CB 3.26Å; G205-N209 PolarHBondContact O-N 3.45Å; V207-N209 PolarHBondContact O-N 2.89Å; N209-L212 PolarHBondContact O-N 3.33Å; N209-T213 WeakPolarHBondContact O-CB 3.46Å; N209-T213 PolarHBondContact O-N 3.33Å; N209-T213 PolarHBondContact O-OG1 3.33Å
210W95.6Very high93.8Very high5 Ų514.4 Ų14.42%0.0198%0.083CC..Hα-helixtrans-66.8-39.2172.9-75.1137.9000112.9N175 F176 V179 Y180 T206 V207 T213 L214 L442 P444N175-W210 HydrophobicContact CB-CH2 4.37Å; F176-W210 VanDerWaalsContact CA-CZ3 3.47Å; F176-W210 HydrophobicContact CB-CE3 4.06Å; F176-W210 HydrophobicContact CB-CH2 4.49Å; F176-W210 HydrophobicContact CB-CZ3 3.63Å; F176-W210 HydrophobicContact CD2-CD2 4.24Å; F176-W210 AromaticContact CD2-CE3 3.61Å; F176-W210 HydrophobicContact CD2-CE3 3.61Å; F176-W210 AromaticContact CD2-CZ3 3.98Å; F176-W210 HydrophobicContact CD2-CZ3 3.98Å; F176-W210 HydrophobicContact CG-CE3 4.32Å; F176-W210 HydrophobicContact CG-CZ3 4.32Å; V179-W210 HydrophobicContact CB-CH2 4.36Å; V179-W210 HydrophobicContact CB-CZ2 4.37Å; V179-W210 HydrophobicContact CG1-CZ2 4.2Å; V179-W210 HydrophobicContact CG2-CH2 4.11Å; V179-W210 HydrophobicContact CG2-CZ2 4.17Å; Y180-W210 AromaticContact CE2-CD2 3.98Å; Y180-W210 HydrophobicContact CE2-CD2 3.98Å; Y180-W210 AromaticContact CE2-CE2 3.95Å; Y180-W210 HydrophobicContact CE2-CE3 4.44Å; Y180-W210 HydrophobicContact CE2-CG 4.2Å; Y180-W210 HydrophobicContact CE2-CZ2 4.29Å; T206-W210 VanDerWaalsContact O-CD1 3.25Å; T206-W210 PolarHBondContact O-N 3.37Å; T206-W210 VanDerWaalsContact O-N 3.08Å; V207-W210 PolarHBondContact O-N 3.44Å; W210-T213 PolarHBondContact O-N 2.96Å; W210-L214 PolarHBondContact O-N 2.95Å; W210-L442 PolarHBondContact NE1-O 3.2Å; W210-P444 HydrophobicContact CH2-CB 4.29Å; W210-P444 HydrophobicContact CH2-CG 4.37Å; W210-P444 HydrophobicContact CZ2-CB 4.01Å; W210-P444 HydrophobicContact CZ2-CG 3.77Å
211M96.4Very high93.8Very high1 Ų114 Ų141%0.0058%0.08CC..Hα-helixtrans-60.4-47.2173.9-69.116773.600110.8F199 V207 S208 T213 L214 L215 L375 V420 G422F199-M211 HydrophobicContact CB-CG 4.25Å; F199-M211 HydrophobicContact CB-SD 4.12Å; F199-M211 HydrophobicContact CD1-CG 4.3Å; F199-M211 HydrophobicContact CD2-CG 3.86Å; F199-M211 HydrophobicContact CD2-SD 4.35Å; F199-M211 HydrophobicContact CE2-CG 4.28Å; F199-M211 HydrophobicContact CG-CG 3.88Å; F199-M211 HydrophobicContact CG-SD 4.34Å; V207-M211 HydrophobicContact CG1-SD 3.91Å; V207-M211 WeakPolarHBondContact O-CG 3.44Å; V207-M211 PolarHBondContact O-N 2.92Å; S208-M211 PolarHBondContact O-N 3.49Å; M211-T213 VanDerWaalsContact C-N 3.32Å; M211-T213 PolarHBondContact O-N 3.42Å; M211-L214 PolarHBondContact O-N 2.96Å; M211-L215 WeakPolarHBondContact O-CB 3.29Å; M211-L215 WeakPolarHBondContact O-CG 3.35Å; M211-L215 PolarHBondContact O-N 2.72Å; M211-L375 HydrophobicContact CB-CD2 3.98Å; M211-L375 HydrophobicContact CE-CD2 4.35Å; M211-L375 VanDerWaalsContact SD-O 3.39Å; M211-V420 HydrophobicContact CE-CG1 3.85Å; M211-V420 WeakPolarHBondContact CE-O 3.42Å; M211-G422 VanDerWaalsContact CE-N 3.33Å; M211-G422 WeakPolarHBondContact SD-CA 3.26Å; M211-G422 PolarHBondContact SD-N 3.01Å
212L96.5Very high93.9Very high1 Ų113.6 Ų13.61%0.0058%0.075CC..Hα-helixtrans-61.3-37.1173.4-73.3178.7000113.2Y65 F117 L171 S208 N209 L215 S216 L222 L375Y65-L212 HydrophobicContact CD2-CD1 3.34Å; Y65-L212 HydrophobicContact CD2-CG 4.35Å; Y65-L212 HydrophobicContact CE2-CD1 3.73Å; Y65-L212 HydrophobicContact CG-CD1 4.18Å; F117-L212 HydrophobicContact CB-CD1 3.57Å; F117-L212 HydrophobicContact CD1-CD1 4.45Å; F117-L212 HydrophobicContact CD2-CD1 3.52Å; F117-L212 HydrophobicContact CD2-CD2 3.68Å; F117-L212 HydrophobicContact CD2-CG 4.27Å; F117-L212 HydrophobicContact CE2-CD1 4.25Å; F117-L212 HydrophobicContact CE2-CD2 3.65Å; F117-L212 HydrophobicContact CG-CD1 3.62Å; F117-L212 HydrophobicContact CZ-CD2 4.47Å; L171-L212 HydrophobicContact CD1-CB 4.15Å; L171-L212 HydrophobicContact CD2-CB 3.75Å; L171-L212 HydrophobicContact CD2-CD1 4.39Å; S208-L212 WeakPolarHBondContact O-CG 3.31Å; S208-L212 PolarHBondContact O-N 3.18Å; N209-L212 PolarHBondContact O-N 3.33Å; L212-L215 HydrophobicContact CD2-CD1 4.32Å; L212-L215 PolarHBondContact O-N 2.8Å; L212-S216 VanDerWaalsContact O-CB 3.29Å; L212-S216 WeakPolarHBondContact O-CB 3.48Å; L212-S216 PolarHBondContact O-N 3.01Å; L212-S216 PolarHBondContact O-OG 3Å; L212-L222 HydrophobicContact CD2-CD2 3.84Å; L212-L375 HydrophobicContact CD1-CD1 4.32Å; L212-L375 HydrophobicContact CD2-CD1 3.68Å; L212-L375 HydrophobicContact CD2-CD2 4Å; L212-L375 HydrophobicContact CG-CD1 3.98Å; L212-L375 HydrophobicContact CG-CD2 4.19Å
213T97Very high93.9Very high0 Ų012.4 Ų12.40%06%0.061CC..Hα-helixtrans-66.7-38.2177.4-55.30000111.7V173 F176 N209 W210 M211 S216V173-T213 HydrophobicContact CG2-CG2 4.29Å; F176-T213 HydrophobicContact CB-CG2 3.68Å; F176-T213 HydrophobicContact CD2-CG2 4.49Å; F176-T213 HydrophobicContact CG-CG2 4.1Å; N209-T213 WeakPolarHBondContact O-CB 3.46Å; N209-T213 PolarHBondContact O-N 3.33Å; N209-T213 PolarHBondContact O-OG1 3.33Å; W210-T213 PolarHBondContact O-N 2.96Å; M211-T213 VanDerWaalsContact C-N 3.32Å; M211-T213 PolarHBondContact O-N 3.42Å; T213-S216 WeakPolarHBondContact CA-OG 3.39Å; T213-S216 PolarHBondContact O-OG 2.82Å
214L97.4Very high93.6Very high3 Ų313.3 Ų13.32%0.0167%0.067CC..Hα-helixtrans-67.8-46.8171.6173.160.9000111.9F176 L187 F188 F199 W210 M211 S216 L217F176-L214 HydrophobicContact CE1-CD1 4.32Å; F176-L214 HydrophobicContact CE2-CB 4.43Å; F176-L214 HydrophobicContact CZ-CB 4.06Å; F176-L214 HydrophobicContact CZ-CD1 4.1Å; L187-L214 HydrophobicContact CB-CD1 4.08Å; L187-L214 HydrophobicContact CB-CD2 3.98Å; F188-L214 HydrophobicContact CB-CD1 4.43Å; F199-L214 HydrophobicContact CE2-CD2 4.28Å; F199-L214 HydrophobicContact CZ-CD2 3.73Å; W210-L214 PolarHBondContact O-N 2.95Å; M211-L214 PolarHBondContact O-N 2.96Å; L214-S216 VanDerWaalsContact C-N 3.28Å; L214-S216 PolarHBondContact O-N 3.08Å; L214-L217 HydrophobicContact CD1-CD1 4.29Å; L214-L217 WeakPolarHBondContact O-CB 3.39Å; L214-L217 PolarHBondContact O-N 2.82Å; L214-L217 VanDerWaalsContact O-N 3.11Å
215L96.9Very high93.5Very high3 Ų313.4 Ų13.42%0.0167%0.068CC..Hα-helixtrans-60.1-38.9179.5-72168.2000111.9L191 M211 L212 L217 Y218 M221 L222 L226 F367 L375L191-L215 HydrophobicContact CD2-CD2 4.02Å; M211-L215 WeakPolarHBondContact O-CB 3.29Å; M211-L215 WeakPolarHBondContact O-CG 3.35Å; M211-L215 PolarHBondContact O-N 2.72Å; L212-L215 HydrophobicContact CD2-CD1 4.32Å; L212-L215 PolarHBondContact O-N 2.8Å; L215-L217 PolarHBondContact O-N 3.14Å; L215-Y218 WeakPolarHBondContact O-CB 3.14Å; L215-Y218 PolarHBondContact O-N 2.79Å; L215-Y218 VanDerWaalsContact O-N 3.08Å; L215-M221 HydrophobicContact CB-CG 4.3Å; L215-M221 HydrophobicContact CD2-CG 4.3Å; L215-M221 WeakPolarHBondContact O-CB 3.22Å; L215-M221 WeakPolarHBondContact O-CG 3.43Å; L215-L222 HydrophobicContact CB-CD2 4.11Å; L215-L226 HydrophobicContact CD1-CD2 4.26Å; L215-F367 HydrophobicContact CD2-CD2 4.47Å; L215-F367 HydrophobicContact CD2-CE2 3.31Å; L215-F367 HydrophobicContact CD2-CZ 3.47Å; L215-F367 VanDerWaalsContact CD2-CZ 3.47Å; L215-L375 HydrophobicContact CD1-CD2 3.77Å
216S96.3Very high93.5Very high3 Ų313.4 Ų13.42%0.0217%0.068CC..THydrogen-bonded Turntrans-73.8-3.6178.553.80000114.6L212 T213 L214 R629L212-S216 VanDerWaalsContact O-CB 3.29Å; L212-S216 WeakPolarHBondContact O-CB 3.48Å; L212-S216 PolarHBondContact O-N 3.01Å; L212-S216 PolarHBondContact O-OG 3Å; T213-S216 WeakPolarHBondContact CA-OG 3.39Å; T213-S216 PolarHBondContact O-OG 2.82Å; L214-S216 VanDerWaalsContact C-N 3.28Å; L214-S216 PolarHBondContact O-N 3.08Å; S216-R629 PolarHBondContact O-NH1 3.47Å; S216-R629 PolarHBondContact OG-NH1 3.36Å; S216-R629 PolarHBondContact OG-NH2 2.85Å
217L97Very high93.4Very high3 Ų313.4 Ų13.42%0.0167%0.068CC..THydrogen-bonded Turntrans-72.3-15.9164.9-67.9178.7000112.4V173 F176 F188 L214 L215 F632V173-L217 HydrophobicContact CG1-CD2 3.48Å; V173-L217 VanDerWaalsContact CG1-CD2 3.48Å; V173-L217 HydrophobicContact CG2-CD2 4.48Å; F176-L217 HydrophobicContact CD1-CD1 4.35Å; F176-L217 HydrophobicContact CE1-CD1 4.06Å; F188-L217 HydrophobicContact CD2-CB 3.86Å; F188-L217 HydrophobicContact CD2-CD1 4.19Å; F188-L217 HydrophobicContact CE2-CB 3.92Å; L214-L217 HydrophobicContact CD1-CD1 4.29Å; L214-L217 WeakPolarHBondContact O-CB 3.39Å; L214-L217 PolarHBondContact O-N 2.82Å; L214-L217 VanDerWaalsContact O-N 3.11Å; L215-L217 PolarHBondContact O-N 3.14Å; L217-F632 HydrophobicContact CB-CB 4.43Å; L217-F632 HydrophobicContact CB-CG 4.34Å; L217-F632 HydrophobicContact CD1-CD1 4.23Å; L217-F632 HydrophobicContact CD1-CD2 4.2Å; L217-F632 HydrophobicContact CD1-CE1 4.03Å; L217-F632 HydrophobicContact CD1-CE2 3.99Å; L217-F632 HydrophobicContact CD1-CG 4.31Å; L217-F632 HydrophobicContact CD1-CZ 3.9Å; L217-F632 HydrophobicContact CD2-CB 4.41Å; L217-F632 HydrophobicContact CD2-CD2 3.56Å; L217-F632 HydrophobicContact CD2-CE2 3.93Å; L217-F632 HydrophobicContact CD2-CG 4Å; L217-F632 HydrophobicContact CG-CD2 4.38Å; L217-F632 HydrophobicContact CG-CG 4.46Å
218Y95.3Very high93.1Very high8 Ų814.1 Ų14.13%0.0317%0.072CC..SBendtrans-90.7133.9177.4-68.6-88.4000111F188 L191 L192 L215 D220 M221 L636F188-Y218 WeakPolarHBondContact CA-OH 3.21Å; F188-Y218 HydrophobicContact CD2-CD2 4.31Å; F188-Y218 HydrophobicContact CD2-CE1 4.07Å; F188-Y218 AromaticContact CD2-CE2 3.51Å; F188-Y218 HydrophobicContact CD2-CE2 3.51Å; F188-Y218 AromaticContact CD2-CZ 3.37Å; F188-Y218 VanDerWaalsContact CD2-OH 3.31Å; F188-Y218 WeakPolarHBondContact CD2-OH 3.17Å; F188-Y218 HydrophobicContact CE1-CE1 4.15Å; F188-Y218 AromaticContact CE2-CD1 3.98Å; F188-Y218 HydrophobicContact CE2-CD1 3.98Å; F188-Y218 HydrophobicContact CE2-CD2 4.07Å; F188-Y218 AromaticContact CE2-CE1 3.52Å; F188-Y218 HydrophobicContact CE2-CE1 3.52Å; F188-Y218 AromaticContact CE2-CE2 3.61Å; F188-Y218 HydrophobicContact CE2-CE2 3.61Å; F188-Y218 HydrophobicContact CE2-CG 4.22Å; F188-Y218 AromaticContact CE2-CZ 3.32Å; F188-Y218 HydrophobicContact CG-CE2 4.31Å; F188-Y218 AromaticContact CG-CZ 3.86Å; F188-Y218 VanDerWaalsContact CG-OH 3.29Å; F188-Y218 WeakPolarHBondContact CG-OH 3.45Å; F188-Y218 HydrophobicContact CZ-CD1 4.14Å; F188-Y218 AromaticContact CZ-CE1 3.56Å; F188-Y218 HydrophobicContact CZ-CE1 3.56Å; F188-Y218 HydrophobicContact CZ-CE2 4.47Å; F188-Y218 AromaticContact CZ-CZ 3.75Å; F188-Y218 PolarHBondContact O-OH 3.47Å; L191-Y218 HydrophobicContact CB-CE2 4.43Å; L191-Y218 HydrophobicContact CD2-CD2 3.85Å; L191-Y218 HydrophobicContact CD2-CE2 3.4Å; L191-Y218 VanDerWaalsContact CD2-CE2 3.4Å; L191-Y218 HydrophobicContact CG-CE2 4.41Å; L192-Y218 HydrophobicContact CD1-CE1 4.26Å; L192-Y218 HydrophobicContact CD2-CE1 3.72Å; L192-Y218 HydrophobicContact CG-CE1 3.8Å; L215-Y218 WeakPolarHBondContact O-CB 3.14Å; L215-Y218 PolarHBondContact O-N 2.79Å; L215-Y218 VanDerWaalsContact O-N 3.08Å; Y218-D220 PolarHBondContact O-N 2.82Å; Y218-M221 HydrophobicContact CG-CE 4.31Å; Y218-M221 WeakPolarHBondContact O-CB 3.38Å; Y218-M221 PolarHBondContact O-N 2.62Å; Y218-L636 HydrophobicContact CD1-CD2 4.17Å
219P90.9Very high92.9Very high22 Ų2214.3 Ų14.314%0.1437%0.073CC..THydrogen-bonded Turntrans-58.9132.2178.8-19.331.2000111M221 F362 L633 L636P219-M221 PolarHBondContact O-N 3.1Å; P219-F362 HydrophobicContact CB-CB 3.91Å; P219-F362 HydrophobicContact CB-CD1 4.41Å; P219-F362 HydrophobicContact CB-CD2 3.96Å; P219-F362 HydrophobicContact CB-CG 3.84Å; P219-F362 HydrophobicContact CG-CD1 4.23Å; P219-F362 HydrophobicContact CG-CD2 4Å; P219-F362 HydrophobicContact CG-CE1 4.42Å; P219-F362 HydrophobicContact CG-CE2 4.18Å; P219-F362 HydrophobicContact CG-CG 4.03Å; P219-F362 HydrophobicContact CG-CZ 4.39Å; P219-L633 HydrophobicContact CB-CD1 4.17Å; P219-L633 HydrophobicContact CG-CB 4.26Å; P219-L633 HydrophobicContact CG-CD1 3.4Å; P219-L633 HydrophobicContact CG-CG 4.33Å; P219-L636 HydrophobicContact CG-CD2 4.32Å
220D89.7Confident92.6Very high48 Ų4814.5 Ų14.526%0.2578%0.076SC..THydrogen-bonded Turntrans52.111.8-179.7-67.2-70.3000116.9Y218 L222 R223 S224 G225 P363Y218-D220 PolarHBondContact O-N 2.82Å; D220-L222 PolarHBondContact O-N 3.05Å; D220-R223 HydrophobicContact CB-CB 4.43Å; D220-R223 PolarHBondContact O-N 3.08Å; D220-R223 VanDerWaalsContact O-N 3.12Å; D220-R223 VanDerWaalsContact OD1-CD 3.31Å; D220-R223 WeakPolarHBondContact OD1-CD 3.47Å; D220-R223 IonicContact OD1-CZ 2.69Å; D220-R223 IonicContact OD1-NE 3.08Å; D220-R223 PolarHBondContact OD1-NE 2.91Å; D220-R223 IonicContact OD1-NH1 2.85Å; D220-R223 PolarHBondContact OD1-NH1 3.09Å; D220-S224 PolarHBondContact O-N 3.43Å; D220-S224 PolarHBondContact O-OG 2.87Å; D220-G225 PolarHBondContact O-N 3.35Å; D220-P363 HydrophobicContact CB-CB 4.38Å; D220-P363 HydrophobicContact CB-CG 4.45Å
221M93.3Very high92.1Very high1 Ų115.7 Ų15.71%0.0058%0.081CC..Iπ-helixtrans-62.2-46.7-177.1-177.560.46700112.4L215 Y218 P219 G225 L226 V366 F367L215-M221 HydrophobicContact CB-CG 4.3Å; L215-M221 HydrophobicContact CD2-CG 4.3Å; L215-M221 WeakPolarHBondContact O-CB 3.22Å; L215-M221 WeakPolarHBondContact O-CG 3.43Å; Y218-M221 HydrophobicContact CG-CE 4.31Å; Y218-M221 WeakPolarHBondContact O-CB 3.38Å; Y218-M221 PolarHBondContact O-N 2.62Å; P219-M221 PolarHBondContact O-N 3.1Å; M221-G225 CarbonylContact O-C 3.35Å; M221-G225 VanDerWaalsContact O-CA 3.27Å; M221-G225 WeakPolarHBondContact O-CA 3.42Å; M221-G225 PolarHBondContact O-N 3.4Å; M221-L226 WeakPolarHBondContact O-CG 3.47Å; M221-L226 PolarHBondContact O-N 3.13Å; M221-L226 HydrophobicContact SD-CD2 4.44Å; M221-V366 HydrophobicContact CE-CB 4.11Å; M221-V366 HydrophobicContact CE-CG2 3.89Å; M221-F367 HydrophobicContact CE-CD2 4.43Å; M221-F367 HydrophobicContact CE-CE2 4.38Å; M221-F367 HydrophobicContact SD-CD2 3.65Å; M221-F367 HydrophobicContact SD-CE2 3.79Å
222L92.7Very high91.5Very high6 Ų618.6 Ų18.63%0.03110%0.096CC..Iπ-helixtrans-69.7-34.8173.2-63.9-166.9000112.3P115 L167 F168 L171 L212 L215 D220 L226P115-L222 WeakPolarHBondContact CG-O 3.26Å; L167-L222 HydrophobicContact CD2-CB 4.32Å; L167-L222 WeakPolarHBondContact O-CD1 3.35Å; F168-L222 HydrophobicContact CD1-CD1 4.36Å; F168-L222 HydrophobicContact CE1-CD1 4.45Å; L171-L222 HydrophobicContact CD1-CD1 3.49Å; L171-L222 VanDerWaalsContact CD1-CD1 3.49Å; L212-L222 HydrophobicContact CD2-CD2 3.84Å; L215-L222 HydrophobicContact CB-CD2 4.11Å; D220-L222 PolarHBondContact O-N 3.05Å; L222-L226 HydrophobicContact CD2-CD1 3.72Å
223R88.4Confident90.7Very high108 Ų10818.9 Ų18.941%0.40810%0.097SC..Iπ-helixtrans-70.2-43-173.2-176.5-176.8-73.8167.4-21.9112.5Y163 Q164 L167 D220Y163-R223 HydrophobicContact CE1-CG 4.28Å; Q164-R223 VanDerWaalsContact CD-NH2 3.33Å; L167-R223 HydrophobicContact CD1-CB 4.13Å; L167-R223 HydrophobicContact CD1-CG 4.38Å; D220-R223 HydrophobicContact CB-CB 4.43Å; D220-R223 PolarHBondContact O-N 3.08Å; D220-R223 VanDerWaalsContact O-N 3.12Å; D220-R223 VanDerWaalsContact OD1-CD 3.31Å; D220-R223 WeakPolarHBondContact OD1-CD 3.47Å; D220-R223 IonicContact OD1-CZ 2.69Å; D220-R223 IonicContact OD1-NE 3.08Å; D220-R223 PolarHBondContact OD1-NE 2.91Å; D220-R223 IonicContact OD1-NH1 2.85Å; D220-R223 PolarHBondContact OD1-NH1 3.09Å
224S85.8Confident89.7Confident24 Ų2422.9 Ų22.917%0.16812%0.123CC..Iπ-helixtrans-140-30.1-178.453.70000113.7D220 L226 S227 F355 P363D220-S224 PolarHBondContact O-N 3.43Å; D220-S224 PolarHBondContact O-OG 2.87Å; S224-L226 PolarHBondContact O-N 3.06Å; S224-L226 VanDerWaalsContact O-N 3.08Å; S224-S227 WeakPolarHBondContact O-CB 3.25Å; S224-S227 PolarHBondContact O-N 3.44Å; S224-S227 PolarHBondContact O-OG 3.44Å; S224-F355 VanDerWaalsContact O-CD1 3.29Å; S224-F355 WeakPolarHBondContact O-CD1 3.44Å; S224-F355 WeakPolarHBondContact O-CE1 3.49Å; S224-P363 WeakPolarHBondContact OG-CG 3.26Å
225G87.6Confident88.5Confident2 Ų223.9 Ų23.92%0.02113%0.13CC..Iπ-helixtrans-62.5-17.2-174.900000116.2D220 M221D220-G225 PolarHBondContact O-N 3.35Å; M221-G225 CarbonylContact O-C 3.35Å; M221-G225 VanDerWaalsContact O-CA 3.27Å; M221-G225 WeakPolarHBondContact O-CA 3.42Å; M221-G225 PolarHBondContact O-N 3.4Å
226L92.1Very high87.4Confident2 Ų224 Ų241%0.0113%0.131CC..THydrogen-bonded Turntrans-88.9-1.2174.2-66.8-176.5000114.6F79 F117 L215 M221 L222 S224 Q228 C229 F367 A373F79-L226 HydrophobicContact CE1-CB 4.05Å; F79-L226 HydrophobicContact CZ-CB 4.27Å; F117-L226 HydrophobicContact CE2-CD1 4.46Å; L215-L226 HydrophobicContact CD1-CD2 4.26Å; M221-L226 WeakPolarHBondContact O-CG 3.47Å; M221-L226 PolarHBondContact O-N 3.13Å; M221-L226 HydrophobicContact SD-CD2 4.44Å; L222-L226 HydrophobicContact CD2-CD1 3.72Å; S224-L226 PolarHBondContact O-N 3.06Å; S224-L226 VanDerWaalsContact O-N 3.08Å; L226-Q228 PolarHBondContact O-N 2.86Å; L226-Q228 VanDerWaalsContact O-N 3.14Å; L226-C229 HydrophobicContact CB-CB 4.42Å; L226-C229 HydrophobicContact CD2-CB 4.08Å; L226-C229 WeakPolarHBondContact O-CB 3.06Å; L226-C229 PolarHBondContact O-N 2.91Å; L226-C229 VanDerWaalsContact O-N 3.09Å; L226-C229 PolarHBondContact O-SG 3.11Å; L226-F367 HydrophobicContact CD2-CD2 3.91Å; L226-F367 HydrophobicContact CD2-CE2 4.21Å; L226-A373 HydrophobicContact CD2-CB 4.28Å
227S88.8Confident86.3Confident28 Ų2825.7 Ų25.720%0.19614%0.139CC..THydrogen-bonded Turntrans-59.9-29.8-172.670.20000114.2D76 A77 S224 F355D76-S227 CarbonylContact C-O 3.51Å; D76-S227 VanDerWaalsContact CA-O 3.28Å; D76-S227 WeakPolarHBondContact CA-O 2.94Å; A77-S227 WeakPolarHBondContact CB-O 3.44Å; A77-S227 PolarHBondContact N-O 3.36Å; S224-S227 WeakPolarHBondContact O-CB 3.25Å; S224-S227 PolarHBondContact O-N 3.44Å; S224-S227 PolarHBondContact O-OG 3.44Å; S227-F355 WeakPolarHBondContact OG-CE1 3.31Å; S227-F355 WeakPolarHBondContact OG-CZ 3.16Å
228Q88.2Confident84.8Confident16 Ų1629.4 Ų29.48%0.07517%0.165CC..THydrogen-bonded Turntrans-107.215.9178.2-61-173-21.600113.4D75 L226 S230 F231 F355 F367 T368D75-Q228 WeakPolarHBondContact O-CG 3.49Å; L226-Q228 PolarHBondContact O-N 2.86Å; L226-Q228 VanDerWaalsContact O-N 3.14Å; Q228-S230 PolarHBondContact O-N 3.1Å; Q228-S230 VanDerWaalsContact O-N 3.08Å; Q228-F231 HydrophobicContact CB-CB 4.4Å; Q228-F231 WeakPolarHBondContact O-CB 3.06Å; Q228-F231 PolarHBondContact O-N 3.31Å; Q228-F355 HydrophobicContact CB-CZ 4.06Å; Q228-F355 HydrophobicContact CG-CE2 4.2Å; Q228-F355 HydrophobicContact CG-CZ 3.68Å; Q228-F367 CarbonylContact C-O 3.54Å; Q228-T368 HydrophobicContact CB-CG2 4.47Å
229C91.2Very high83.4Confident3 Ų329.5 Ų29.52%0.0217%0.166CC..THydrogen-bonded Turntrans-73-4.4-167.681.10000116L226 F367 L372 A373L226-C229 HydrophobicContact CB-CB 4.42Å; L226-C229 HydrophobicContact CD2-CB 4.08Å; L226-C229 WeakPolarHBondContact O-CB 3.06Å; L226-C229 PolarHBondContact O-N 2.91Å; L226-C229 VanDerWaalsContact O-N 3.09Å; L226-C229 PolarHBondContact O-SG 3.11Å; C229-F367 HydrophobicContact CB-CB 3.87Å; C229-F367 HydrophobicContact CB-CG 4.33Å; C229-L372 CarbonylContact O-C 3.51Å; C229-L372 VanDerWaalsContact O-CA 3.26Å; C229-L372 WeakPolarHBondContact O-CA 3.14Å; C229-A373 HydrophobicContact CB-CB 3.82Å; C229-A373 PolarHBondContact O-N 3.48Å
230S88.4Confident81.9Confident18 Ų1830 Ų3013%0.12617%0.169CC..THydrogen-bonded Turntrans-113.22.4173-58.70000112.9S67 L68 Q228S67-S230 VanDerWaalsContact C-OG 3.29Å; S67-S230 WeakPolarHBondContact CB-OG 3.43Å; S67-S230 PolarHBondContact OG-OG 2.79Å; L68-S230 PolarHBondContact N-OG 3.16Å; Q228-S230 PolarHBondContact O-N 3.1Å; Q228-S230 VanDerWaalsContact O-N 3.08Å
231F85.4Confident80.1Confident30 Ų3030.9 Ų30.913%0.13218%0.178CC..  trans-90.1125-171.7-179.7-122.2000112.8K74 D75 Q228 D233 S370 L372K74-F231 HydrophobicContact CG-CE2 4.44Å; K74-F231 WeakPolarHBondContact O-CD2 3.46Å; D75-F231 HydrophobicContact CB-CD1 4.39Å; D75-F231 HydrophobicContact CB-CD2 4.45Å; D75-F231 HydrophobicContact CB-CE1 4.33Å; D75-F231 HydrophobicContact CB-CE2 4.42Å; D75-F231 HydrophobicContact CB-CG 4.44Å; D75-F231 HydrophobicContact CB-CZ 4.36Å; D75-F231 WeakPolarHBondContact OD1-CE2 3.27Å; D75-F231 VanDerWaalsContact OD1-CZ 3.23Å; D75-F231 WeakPolarHBondContact OD1-CZ 3.27Å; Q228-F231 HydrophobicContact CB-CB 4.4Å; Q228-F231 WeakPolarHBondContact O-CB 3.06Å; Q228-F231 PolarHBondContact O-N 3.31Å; F231-D233 HydrophobicContact CD1-CB 4.25Å; F231-D233 HydrophobicContact CE1-CB 3.64Å; F231-D233 HydrophobicContact CZ-CB 4.07Å; F231-S370 WeakPolarHBondContact O-CA 3.25Å; F231-S370 PolarHBondContact O-N 3.48Å; F231-L372 WeakPolarHBondContact O-CD2 3.37Å
232I83.4Confident78Confident61 Ų6138.1 Ų38.131%0.31321%0.207SC..  trans-106.2103.5176.8-56176.6000108.8S370 L372 I384 V416I232-S370 WeakPolarHBondContact CA-OG 3.41Å; I232-L372 HydrophobicContact CD1-CD1 4.14Å; I232-L372 HydrophobicContact CG1-CD1 4.03Å; I232-L372 HydrophobicContact CG1-CD2 4.05Å; I232-I384 HydrophobicContact CD1-CG2 4.03Å; I232-V416 HydrophobicContact CD1-CG2 4.23Å
233D79Confident76Confident8 Ų839.9 Ų39.94%0.04321%0.213CC..  trans-100.2105.8172.4170.416.6000109.3F231 S235 K369 S370F231-D233 HydrophobicContact CD1-CB 4.25Å; F231-D233 HydrophobicContact CE1-CB 3.64Å; F231-D233 HydrophobicContact CZ-CB 4.07Å; D233-S235 PolarHBondContact O-N 2.75Å; D233-S235 VanDerWaalsContact O-N 3.11Å; D233-S235 WeakPolarHBondContact OD1-CA 3.33Å; D233-S235 WeakPolarHBondContact OD1-CB 3.37Å; D233-S235 PolarHBondContact OD1-N 3.15Å; D233-S235 PolarHBondContact OD1-OG 2.87Å; D233-S235 PolarHBondContact OD2-OG 3.13Å; D233-K369 VanDerWaalsContact OD2-CE 3.3Å; D233-K369 WeakPolarHBondContact OD2-CE 3.01Å; D233-K369 IonicContact OD2-NZ 3.72Å; D233-K369 PolarHBondContact OD2-NZ 3.49Å; D233-S370 PolarHBondContact N-OG 3.19Å; D233-S370 PolarHBondContact O-OG 3.37Å
234P75.7Confident73.9Confident84 Ų8438.2 Ų38.255%0.54522%0.218SC..THydrogen-bonded Turntrans-66.4-9.617827.5-34.3000113.7W236 I237P234-W236 PolarHBondContact O-N 3.28Å; P234-I237 WeakPolarHBondContact O-CB 2.97Å; P234-I237 WeakPolarHBondContact O-CG1 3.44Å; P234-I237 PolarHBondContact O-N 2.73Å
235S73.7Confident71.7Confident23 Ų2342.6 Ų42.616%0.16124%0.24CC..THydrogen-bonded Turntrans-65.1-22.7-178.683.10000113.9D233 I237 S238 E239 K369D233-S235 PolarHBondContact O-N 2.75Å; D233-S235 VanDerWaalsContact O-N 3.11Å; D233-S235 WeakPolarHBondContact OD1-CA 3.33Å; D233-S235 WeakPolarHBondContact OD1-CB 3.37Å; D233-S235 PolarHBondContact OD1-N 3.15Å; D233-S235 PolarHBondContact OD1-OG 2.87Å; D233-S235 PolarHBondContact OD2-OG 3.13Å; S235-I237 PolarHBondContact O-N 3.01Å; S235-I237 VanDerWaalsContact O-N 3.1Å; S235-S238 PolarHBondContact O-N 3.06Å; S235-S238 VanDerWaalsContact O-N 3.12Å; S235-S238 PolarHBondContact O-OG 2.89Å; S235-E239 PolarHBondContact O-N 3.38Å; S235-K369 PolarHBondContact OG-NZ 2.93Å; S235-K369 VanDerWaalsContact OG-NZ 3.08Å
236W73.2Confident69.9Low6 Ų646.4 Ų46.42%0.02326%0.259CS..Hα-helixtrans-60.4-24.5178.277.4-100.8000112.9P234 S238 E239 T240 S370 R414 S415 R417P234-W236 PolarHBondContact O-N 3.28Å; W236-S238 VanDerWaalsContact C-N 3.32Å; W236-S238 PolarHBondContact O-N 2.74Å; W236-E239 WeakPolarHBondContact O-CB 3.29Å; W236-E239 PolarHBondContact O-N 3.34Å; W236-E239 VanDerWaalsContact O-N 3.16Å; W236-T240 HydrophobicContact CE3-CG2 3.71Å; W236-T240 HydrophobicContact CZ3-CG2 3.63Å; W236-T240 PolarHBondContact O-N 2.83Å; W236-S370 VanDerWaalsContact CD1-CB 3.43Å; W236-R414 VanDerWaalsContact CZ2-O 3.28Å; W236-R414 WeakPolarHBondContact CZ2-O 3.49Å; W236-S415 PolarHBondContact NE1-O 3.4Å; W236-R417 HydrophobicContact CD2-CB 3.82Å; W236-R417 HydrophobicContact CD2-CG 3.93Å; W236-R417 HydrophobicContact CE3-CB 4.17Å; W236-R417 HydrophobicContact CE3-CG 3.78Å; W236-R417 HydrophobicContact CG-CB 4.28Å; W236-R417 HydrophobicContact CH2-CB 4.27Å; W236-R417 HydrophobicContact CH2-CG 4.2Å; W236-R417 HydrophobicContact CZ2-CB 3.88Å; W236-R417 HydrophobicContact CZ2-CG 4.3Å; W236-R417 HydrophobicContact CZ3-CB 4.4Å; W236-R417 HydrophobicContact CZ3-CG 3.93Å
237I72.4Confident67.6Low39 Ų3951.3 Ų51.320%0.229%0.285CS..Hα-helixtrans-59.1-46.2177.3-63173000109.7P234 S235 E239 T240 D413P234-I237 WeakPolarHBondContact O-CB 2.97Å; P234-I237 WeakPolarHBondContact O-CG1 3.44Å; P234-I237 PolarHBondContact O-N 2.73Å; S235-I237 PolarHBondContact O-N 3.01Å; S235-I237 VanDerWaalsContact O-N 3.1Å; I237-E239 VanDerWaalsContact C-N 3.33Å; I237-E239 PolarHBondContact O-N 3.22Å; I237-T240 WeakPolarHBondContact O-CB 3.12Å; I237-T240 WeakPolarHBondContact O-CG2 3.36Å; I237-T240 PolarHBondContact O-N 3.17Å; I237-T240 PolarHBondContact O-OG1 3.48Å; I237-D413 WeakPolarHBondContact CG2-OD2 3.33Å
238S66.8Low64.9Low81 Ų8154.4 Ų54.457%0.56630%0.299SS*.Hα-helixtrans-70.1-31.2176.9710000112.4S235 W236 T240 S241S235-S238 PolarHBondContact O-N 3.06Å; S235-S238 VanDerWaalsContact O-N 3.12Å; S235-S238 PolarHBondContact O-OG 2.89Å; W236-S238 VanDerWaalsContact C-N 3.32Å; W236-S238 PolarHBondContact O-N 2.74Å; S238-T240 PolarHBondContact O-N 2.89Å; S238-S241 PolarHBondContact O-N 2.96Å; S238-S241 PolarHBondContact O-OG 2.75Å
239E64.4Low62.4Low9 Ų959.4 Ų59.44%0.04233%0.333CS..Hα-helixtrans-61.7-26.7175.5-63.5-174.8153.700112.7S235 W236 I237 S241 Y242 K369 F674 P676S235-E239 PolarHBondContact O-N 3.38Å; W236-E239 WeakPolarHBondContact O-CB 3.29Å; W236-E239 PolarHBondContact O-N 3.34Å; W236-E239 VanDerWaalsContact O-N 3.16Å; I237-E239 VanDerWaalsContact C-N 3.33Å; I237-E239 PolarHBondContact O-N 3.22Å; E239-S241 PolarHBondContact O-N 3.1Å; E239-S241 VanDerWaalsContact O-N 3.16Å; E239-Y242 WeakPolarHBondContact O-CD2 3.37Å; E239-Y242 PolarHBondContact O-N 3.37Å; E239-K369 IonicContact OE1-NZ 2.73Å; E239-K369 PolarHBondContact OE1-NZ 2.99Å; E239-K369 IonicContact OE2-NZ 3.54Å; E239-F674 HydrophobicContact CB-CE2 4.46Å; E239-F674 HydrophobicContact CB-CZ 3.98Å; E239-F674 HydrophobicContact CG-CZ 4.21Å; E239-F674 WeakPolarHBondContact OE2-CZ 3.45Å; E239-P676 WeakPolarHBondContact OE1-CB 3.32Å
240T60.7Low59.8Low34 Ų3463.6 Ų63.621%0.20936%0.363CS..THydrogen-bonded Turntrans-57.2-30.9-179.164.10000113.6W236 I237 S238 Y242 W243W236-T240 HydrophobicContact CE3-CG2 3.71Å; W236-T240 HydrophobicContact CZ3-CG2 3.63Å; W236-T240 PolarHBondContact O-N 2.83Å; I237-T240 WeakPolarHBondContact O-CB 3.12Å; I237-T240 WeakPolarHBondContact O-CG2 3.36Å; I237-T240 PolarHBondContact O-N 3.17Å; I237-T240 PolarHBondContact O-OG1 3.48Å; S238-T240 PolarHBondContact O-N 2.89Å; T240-Y242 PolarHBondContact O-N 3.29Å; T240-W243 WeakPolarHBondContact O-CB 3.38Å; T240-W243 PolarHBondContact O-N 3.01Å; T240-W243 VanDerWaalsContact O-N 3.08Å
241S51.6Low57.1Low65 Ų6565.6 Ų65.646%0.45538%0.377SS..Hα-helixtrans-58.1-32.9179.360.20000113.8S238 E239 W243S238-S241 PolarHBondContact O-N 2.96Å; S238-S241 PolarHBondContact O-OG 2.75Å; E239-S241 PolarHBondContact O-N 3.1Å; E239-S241 VanDerWaalsContact O-N 3.16Å; S241-W243 VanDerWaalsContact C-N 3.31Å; S241-W243 PolarHBondContact O-N 3.37Å
242Y49Very low54.3Low154 Ų15472.1 Ų72.160%0.60441%0.413SS*.Hα-helixtrans-73.7-21.3179.4-62.9-81.3000113.3E239 T240E239-Y242 WeakPolarHBondContact O-CD2 3.37Å; E239-Y242 PolarHBondContact O-N 3.37Å; T240-Y242 PolarHBondContact O-N 3.29Å
243W49.4Very low51.6Low42 Ų4273.5 Ų73.516%0.15943%0.428CS..Hα-helixtrans-72.6-34.9-177.1-68.266.5000112.1T240 S241 N245 I246 L663 R665 L668 F674T240-W243 WeakPolarHBondContact O-CB 3.38Å; T240-W243 PolarHBondContact O-N 3.01Å; T240-W243 VanDerWaalsContact O-N 3.08Å; S241-W243 VanDerWaalsContact C-N 3.31Å; S241-W243 PolarHBondContact O-N 3.37Å; W243-N245 VanDerWaalsContact C-N 3.27Å; W243-N245 PolarHBondContact O-N 3.38Å; W243-I246 PolarHBondContact O-N 2.75Å; W243-L663 VanDerWaalsContact CZ3-O 3.29Å; W243-L663 WeakPolarHBondContact CZ3-O 3.42Å; W243-R665 HydrophobicContact CH2-CB 3.67Å; W243-R665 HydrophobicContact CH2-CG 4.44Å; W243-R665 HydrophobicContact CZ2-CB 3.78Å; W243-R665 HydrophobicContact CZ2-CG 4.13Å; W243-L668 HydrophobicContact CE3-CD1 3.98Å; W243-L668 HydrophobicContact CH2-CD1 3.55Å; W243-L668 HydrophobicContact CH2-CG 4.24Å; W243-L668 HydrophobicContact CZ2-CD1 4.19Å; W243-L668 HydrophobicContact CZ3-CD1 3.43Å; W243-L668 VanDerWaalsContact CZ3-CD1 3.43Å; W243-L668 HydrophobicContact CZ3-CG 4.29Å; W243-F674 HydrophobicContact CZ2-CD1 4.34Å; W243-F674 HydrophobicContact CZ2-CE1 4.35Å; W243-F674 HydrophobicContact CZ2-CG 4.49Å; W243-F674 AromaticContact NE1-CE2 3.81Å; W243-F674 AromaticContact NE1-CZ 3.96Å
244S46.2Very low49.2Very low73 Ų7383 Ų8351%0.5147%0.469SS..Hα-helixtrans-59.2-39.3177.5-52.30000111.9I246S244-I246 PolarHBondContact O-N 2.8Å
245N38.7Very low46.9Very low117 Ų11785.1 Ų85.163%0.62648%0.476SS*.G310 helixtrans-79.6-13.4-173.2-65.5-8.8000114W243 N247W243-N245 VanDerWaalsContact C-N 3.27Å; W243-N245 PolarHBondContact O-N 3.38Å; N245-N247 PolarHBondContact O-N 3.18Å
246I49.2Very low44.6Very low82 Ų8288.7 Ų88.742%0.42150%0.501SS..G310 helixtrans-74.6-17.8177.5-63.4170.2000111.4W243 S244 L668W243-I246 PolarHBondContact O-N 2.75Å; S244-I246 PolarHBondContact O-N 2.8Å; I246-L668 HydrophobicContact CD1-CD1 4.19Å
247N43.5Very low42.4Very low104 Ų10498.8 Ų98.856%0.55654%0.541SS*.G310 helixtrans-89.15-173.5-67.1-42.9000114.7N245 P249N245-N247 PolarHBondContact O-N 3.18Å; N247-P249 WeakPolarHBondContact O-CD 3.24Å
248D33Very low40.1Very low94 Ų94104.7 Ų104.750%0.50357%0.567SS.*  trans-93.9102.3-179.6-135.4-31.5000110.3S250 S251D248-S250 PolarHBondContact O-N 2.83Å; D248-S250 PolarHBondContact OD1-OG 3.17Å; D248-S251 PolarHBondContact O-N 2.69Å; D248-S251 PolarHBondContact O-OG 3.08Å
249P36.2Very low38.2Very low121 Ų121110.4 Ų110.479%0.78658%0.578SS**THydrogen-bonded Turntrans-66.3-3.2179.329.1-36.2000113.3N247N247-P249 WeakPolarHBondContact O-CD 3.24Å
250S36Very low36.2Very low91 Ų91114.8 Ų114.864%0.63661%0.609SS**THydrogen-bonded Turntrans-80.9-20.5171.263.70000113.3D248 N252D248-S250 PolarHBondContact O-N 2.83Å; D248-S250 PolarHBondContact OD1-OG 3.17Å; S250-N252 VanDerWaalsContact C-N 3.27Å; S250-N252 PolarHBondContact O-N 3.24Å
251S31.3Very low34.6Very low60 Ų60118.5 Ų118.542%0.4264%0.637SS.*  trans-8646.5-172.875.20000114.2D248 S253D248-S251 PolarHBondContact O-N 2.69Å; D248-S251 PolarHBondContact O-OG 3.08Å; S251-S253 PolarHBondContact O-N 3.01Å
252N27.2Very low33.4Very low166 Ų166124.6 Ų124.689%0.88866%0.658SS**  trans-74.930.1173.1-98.2-24.4000113.2S250S250-N252 VanDerWaalsContact C-N 3.27Å; S250-N252 PolarHBondContact O-N 3.24Å
253S26.9Very low32.3Very low91 Ų91125.9 Ų125.964%0.63667%0.669SS**  trans-133.655.9-172.866.30000112.7S251S251-S253 PolarHBondContact O-N 3.01Å
254F28.6Very low31.2Very low206 Ų206128.7 Ų128.790%0.90470%0.696SS**SBendtrans-122.892.2157.2-103.9-87.4000110.7
255N26.4Very low30.2Very low130 Ų130133.7 Ų133.770%0.69572%0.716SS**  trans11.1111.3170-65-12.7000118.5Y257N255-Y257 PolarHBondContact O-N 3.33Å
256S25.1Very low29.8Very low97 Ų97134 Ų13468%0.67872%0.722SS**  trans-43.8114148.251.30000112.4Q258S256-Q258 PolarHBondContact O-N 3.4Å
257Y27.3Very low28.7Very low219 Ų219139.4 Ų139.486%0.85974%0.742SS**  trans-84.598.3144.5-73.6-77.1000106.9N255 Y259N255-Y257 PolarHBondContact O-N 3.33Å; Y257-Y259 PolarHBondContact O-N 2.91Å
258Q24.4Very low27.9Very low163 Ų163142.2 Ų142.276%0.76276%0.756SS**  trans-63.8118.7173.5-70.2173.8-8100109S256S256-Q258 PolarHBondContact O-N 3.4Å
259Y26.4Very low27.5Very low201 Ų201145.6 Ų145.679%0.78877%0.774SS**  trans-95.3107.6152-108.2-86.5000107.9Y257 S261 V734Y257-Y259 PolarHBondContact O-N 2.91Å; Y259-S261 PolarHBondContact O-N 3.14Å; Y259-V734 HydrophobicContact CE2-CG2 4.23Å
260S22.6Very low27Very low101 Ų101142.9 Ų142.971%0.70677%0.768SS**  trans-80109.8173.1-55.80000109.2
261S27.4Very low26.4Very low111 Ų111149.8 Ų149.878%0.77678%0.78SS**  trans-138.3101.2157.458.60000107.7Y259 E263Y259-S261 PolarHBondContact O-N 3.14Å; S261-E263 PolarHBondContact O-N 2.93Å
262E26Very low26.3Very low193 Ų193152.9 Ų152.990%0.90280%0.796SS**  trans-66.9125.9173.3-61.6172.412700108.9
263E27.5Very low26Very low181 Ų181149.7 Ų149.785%0.84679%0.787SS**  -171.7109118.5-101.8178.7172.400111.7S261S261-E263 PolarHBondContact O-N 2.93Å
264S24.6Very low26.2Very low102 Ų102154 Ų15471%0.71380%0.797SS**  trans28.7110.5146.753.60000120.7
265L26.8Very low26Very low178 Ų178152.6 Ų152.693%0.93279%0.793SS**  -144.7130.5122.4-110.3165.2000110.7
266T28.9Very low26.1Very low122 Ų122154.8 Ų154.875%0.74880%0.799SS**  trans-88.4138.5-161.245.40000114.6
267K26.2Very low26.3Very low197 Ų197156.3 Ų156.386%0.85780%0.798SS**  trans-7.3120.2158.5-65.2172178.2172.20116.7
268I27.6Very low26.2Very low163 Ų163152.2 Ų152.284%0.83679%0.791SS**  trans-126102.5144.8-61.4-178.3000108.3G270I268-G270 PolarHBondContact O-N 3.41Å
269N23.8Very low26.4Very low164 Ų164151.5 Ų151.588%0.87779%0.792SS**  trans-81.395.6166.8-88.3-10.6000108.8
270G27.2Very low26.6Very low65 Ų65148.1 Ų148.167%0.6779%0.792SS**  trans-94.9100.1173.400000111.6I268 V272I268-G270 PolarHBondContact O-N 3.41Å; G270-V272 PolarHBondContact O-N 3.25Å
271R22.6Very low26.7Very low235 Ų235150.3 Ų150.389%0.88780%0.795SS**  trans-74.1112.7176.3-168.9-174.1-163173.95109.4
272V28.5Very low26.7Very low125 Ų125151.6 Ų151.676%0.75879%0.793SS**  trans-113.2115.1167.4-177.80000108.8G270G270-V272 PolarHBondContact O-N 3.25Å
273S22.3Very low26.9Very low99 Ų99150.9 Ų150.969%0.69279%0.787SS**  trans-127.8106.5170-56.20000105.9
274E29.9Very low26.8Very low183 Ų183150.7 Ų150.786%0.85579%0.786SS**  trans-124.1125170.3-75-168.4153.500109.7
275Q24Very low27.1Very low175 Ų175155 Ų15582%0.81880%0.795SS**  trans-96.1134.4179.1-63.1166.4-39.100108.7
276H30.2Very low27Very low177 Ų177153.5 Ų153.582%0.81979%0.788SS**  trans-142.4110.4148.4-89.7-83.3000104.6
277I27.3Very low26.9Very low128 Ų128157.7 Ų157.766%0.65680%0.796SS**  55.1108.176.2-56171.5000107.4
278D27Very low26.8Very low134 Ų134155.9 Ų155.972%0.71779%0.791SS**  -162.8168.655.4-137.7-27.8000114.6
279L28.3Very low26.8Very low148 Ų148156.4 Ų156.478%0.77580%0.795SS**  trans62.4120.4161.4-54.4155.9000117.2
280T29Very low26.8Very low130 Ų130153.2 Ų153.280%0.79878%0.781SS**  cis-168.4144.147.7-44.60000111.8
281L25.7Very low26.8Very low147 Ų147158.7 Ų158.777%0.7779%0.794SS**  trans-47.9134.1174.8-67154000117.6
282N26.9Very low26.9Very low137 Ų137153.6 Ų153.673%0.73379%0.785SS**  148.8141.9104.4-91.7-29.4000116.7
283K30.9Very low27.1Very low179 Ų179154.8 Ų154.878%0.77879%0.791SS**  trans68.1105.5163.3-64.8174.9178.1-172.70116.5
284E25.8Very low27.3Very low177 Ų177156.1 Ų156.183%0.82779%0.791SS**  66.7104.872.2-68-177.6148.800113.3
285E30.7Very low27.4Very low193 Ų193153.2 Ų153.290%0.90279%0.791SS**  -166.5164106.6-102.9177-168.200111.7
286N24.7Very low27.8Very low146 Ų146153.4 Ų153.478%0.78179%0.789SS**  trans-88.4153.9-162.6-62.1-76.7000113.9
287F27.2Very low27.8Very low209 Ų209152.2 Ų152.292%0.91779%0.789SS**  -159.9134.2117.1-126.4-92.8000112.2
288Q23.6Very low28.1Very low160 Ų160151.7 Ų151.775%0.74879%0.793SS**  trans-87.3157.5174.8-68.5174.7-28.300111.1
289L26.9Very low28.1Very low174 Ų174149 Ų14991%0.91179%0.79SS**  -158.8121.3128.9-107.2164.7000110.5
290T23Very low28.1Very low97 Ų97148.9 Ų148.960%0.59579%0.79SS**  trans-102.9147.5-176.222.40000111.6
291L28.9Very low28.1Very low180 Ų180149.5 Ų149.594%0.94279%0.789SS**  trans-140.9113.8145.9-79.3-177.2000110
292N24Very low28.4Very low128 Ų128149.8 Ų149.868%0.68479%0.79SS**  trans-89.6152.1171.3-67.8-4.7000110.3
293V32.5Very low28.4Very low149 Ų149150.4 Ų150.490%0.90379%0.794SS**  trans-139.7118.4139.3-178.10000109.1
294D26.4Very low28.5Very low127 Ų127146.8 Ų146.868%0.67979%0.791SS**  trans-80.3153.5171.4-80.3-67.3000112
295S32.9Very low28.7Very low122 Ų122145.6 Ų145.685%0.85379%0.785SS**  -171.8124.3124.228.90000115
296K31.2Very low28.7Very low179 Ų179145.3 Ų145.378%0.77878%0.776SS**  trans-64.3143.2174.7-54.1152.3174.8171.40113.4
297N29.9Very low29Very low152 Ų152143.9 Ų143.981%0.81377%0.768SS**  167.7151.698.9-96.9-21.2000113.4
298P34.4Very low29.1Very low117 Ų117140.7 Ų140.776%0.7676%0.756SS**  trans-116.5-177.8-176.843-33.7000115.8
299A27.1Very low29.3Very low78 Ų78139.7 Ų139.765%0.64575%0.754SS**  trans88.1112.9155.600000119.7
300N28.5Very low29.4Very low145 Ų145139.2 Ų139.278%0.77575%0.751SS**  169.8142.8100.4-87.5-34.1000115.2
301N28.4Very low29.6Very low144 Ų144139.6 Ų139.677%0.7775%0.753SS**  trans84.8144.4137.3-84.2-7.2000126.1
302L32.3Very low29.6Very low152 Ų152139.2 Ų139.280%0.79675%0.751SS**  trans91.591.9155.8-96.676.1000121.8
303D26.6Very low29.7Very low151 Ų151137.1 Ų137.181%0.80775%0.747SS**  trans-0.7144.6135.5-67.1-45.2000121.2
304S32.5Very low29.5Very low103 Ų103136.6 Ų136.672%0.7274%0.739SS**  179127.7104.339.10000116.4
305Q31.4Very low29.5Very low151 Ų151136 Ų13671%0.70674%0.74SS**  trans64148.1145.4-62.1-170.917.700119.8
306R29.5Very low29.3Very low187 Ų187137.1 Ų137.171%0.70674%0.735SS**  cis-166.8150.11.3-119.8172.2171.7152.4-14.7110.6
307N30.8Very low29.1Very low116 Ų116136.4 Ų136.462%0.6274%0.735SS**  trans61.8142.6146.5-60.4-0.5000120.6
308H29.9Very low28.9Very low142 Ų142134.8 Ų134.866%0.65773%0.73SS**  cis-151.5136.9-11.7-92.5-55.9000107.6
309I27.7Very low28.6Very low139 Ų139136.9 Ų136.971%0.71373%0.73SS**  49.5120.898.2-43.8178.9000112.3
310I29.9Very low28.5Very low164 Ų164139.4 Ų139.484%0.84173%0.732SS**  -143.9134.463.2-69.5162.4000113.5
311T26Very low28.6Very low106 Ų106142.4 Ų142.465%0.6574%0.738SS**  trans-84.6159.6168.9-25.50000111.5
312L29.2Very low28.5Very low172 Ų172144.6 Ų144.690%0.90174%0.744SS**  -177.5148.4115.8-97162.1000112.8
313S26.3Very low28.4Very low84 Ų84142.7 Ų142.759%0.58774%0.74SS**  trans-112.7-178.2-168.4-47.80000112.1
314D29.1Very low28.5Very low138 Ų138142.4 Ų142.474%0.73874%0.744SS**  trans91.2101.8144.2-59.2-23.4000120.9
315T25.4Very low28Very low114 Ų114145.1 Ų145.170%0.69975%0.748SS**  60.4131.1127.262.60000121.4
316L28.8Very low27.7Very low145 Ų145142.6 Ų142.676%0.75975%0.747SS**  158122.6109.4-76.4177.2000111.8
317H27.3Very low27.6Very low165 Ų165142.4 Ų142.476%0.76475%0.754SS**  trans44.9112.5137.5-71.1-56.3000125
318T25.2Very low27.5Very low117 Ų117142 Ų14272%0.71876%0.761SS**  75.3140.6119.3-25.90000122.3
319E27.8Very low27.2Very low161 Ų161144.6 Ų144.675%0.75277%0.771SS**  trans102.3107.9154.3-60.8-147.5158.500122.2
320L26.3Very low27Very low131 Ų131146.8 Ų146.869%0.68678%0.775SS**  55.3101.5126.5-61.9170.3000120.9
321K29.6Very low26.8Very low208 Ų208147.5 Ų147.590%0.90477%0.772SS**  173.8156.1104.9-92.5156-172.4172.50115.2
322Q26.2Very low27Very low191 Ų191152 Ų15289%0.89378%0.778SS**  trans-68175.3-169.6-93.2-175.2-18.800117.7
323P30.6Very low27Very low111 Ų111151.2 Ų151.272%0.72177%0.77SS**  trans-110.7172.7-144.843-37.8000116.3
324V29.2Very low26.8Very low145 Ų145153 Ų15388%0.87978%0.777SS**  trans-136.1148.3166.7179.90000110.5
325I22.5Very low26.7Very low160 Ų160154.8 Ų154.882%0.82179%0.786SS**  trans-105.2134-174.3-62.1158.7000110.4
326S25.3Very low26.6Very low98 Ų98156.9 Ų156.969%0.68579%0.785SS**  trans177.8115.1149.742.40000109.7
327E25.4Very low26.3Very low183 Ų183158.6 Ų158.686%0.85579%0.787SS**  91.1143.388.5-77.8-171.8162.900115.9
328S28.8Very low26.3Very low108 Ų108156.4 Ų156.476%0.75579%0.787SS**  trans76.987.8160.568.70000122
329F23.7Very low26.3Very low196 Ų196159.5 Ų159.586%0.8679%0.793SS**  40.9139.5110.9-84-79.1000124
330K25.1Very low26.2Very low186 Ų186161.2 Ų161.281%0.80980%0.798SS**  trans89.2101144.4-71.8165.9-177.6179.60121.7
331K26Very low26.3Very low179 Ų179162.3 Ų162.378%0.77880%0.803SS**  trans167.6132.9132.5-91.8163.9179.6179.20105.5
332Y29.2Very low26.3Very low199 Ų199158.3 Ų158.378%0.7880%0.796SS**  -145.913253.1-73.6-91.8000110
333Q28.4Very low26.4Very low157 Ų157156.7 Ų156.773%0.73479%0.794SS**  61.3100.193.8-67.1178.9-28.900114.3
334T23.8Very low26.5Very low120 Ų120159 Ų15974%0.73680%0.8SS**  86.6102.164.7-59.10000114.6
335I25.5Very low26.7Very low177 Ų177155.4 Ų155.491%0.90878%0.781SS**  trans-136.9149.2152.3-59.6-176.5000107.4
336K23.7Very low27.2Very low157 Ų157155.5 Ų155.568%0.68378%0.78SS**  trans-119.8164.6-167.8-70.7-177.5173.1-177.30114.1
337F23.5Very low27.6Very low182 Ų182160.3 Ų160.380%0.79879%0.789SS**  trans85.7151.3153.4-64.6-67.4000119.3
338P26.2Very low28Very low119 Ų119158.9 Ų158.977%0.77378%0.78SS**  cis-125.4172.8-17.631.6-12.2000114.7
339E25.5Very low28.1Very low181 Ų181162.4 Ų162.485%0.84678%0.782SS**  trans-80.4169.4-177.5-59.4164.6115.100114.6
340K25.4Very low28.6Very low198 Ų198156.7 Ų156.786%0.86177%0.766SS**  trans78.278.9166.7-60-177.4177.7178.40118
341I28.9Very low29Very low154 Ų154153.7 Ų153.779%0.7976%0.758SS**  trans-125.4127.7139.8-60.3-179.9000106.9
342T29.8Very low29.4Very low124 Ų124150.3 Ų150.376%0.76175%0.749SS**  trans-70.3130-17541.50000112.7N344T342-N344 PolarHBondContact O-N 3.32Å; T342-N344 VanDerWaalsContact O-N 3.13Å
343D28.1Very low30Very low156 Ų156141.8 Ų141.883%0.83472%0.718SS**THydrogen-bonded Turntrans-58.8110.2171.8-64.4-60.2000111.5
344N31.8Very low31Very low161 Ų161136.7 Ų136.786%0.86170%0.699SS**THydrogen-bonded Turntrans-179.5-9.2160.4-98.6-34.2000113.2T342T342-N344 PolarHBondContact O-N 3.32Å; T342-N344 VanDerWaalsContact O-N 3.13Å
345S33.5Very low32.5Very low68 Ų68131.4 Ų131.448%0.47667%0.666SS.*SBendtrans-87.6-23.2-176.253.60000115.2F347 K348S345-F347 VanDerWaalsContact C-N 3.29Å; S345-F347 PolarHBondContact O-N 3.29Å; S345-K348 WeakPolarHBondContact O-CB 3.14Å; S345-K348 PolarHBondContact O-N 2.8Å; S345-K348 VanDerWaalsContact O-N 3.1Å
346M33Very low34.1Very low162 Ų162126.8 Ų126.880%0.79865%0.647SS**G310 helixtrans-70.9-20.5-169.8-154169.975.900114.2K348M346-K348 VanDerWaalsContact C-N 3.3Å; M346-K348 PolarHBondContact O-N 2.78Å
347F34.6Very low36Very low200 Ų200120.6 Ų120.688%0.87762%0.623SS**G310 helixtrans-81.8-0.2173.3-85.5-79.2000114.5S345S345-F347 VanDerWaalsContact C-N 3.29Å; S345-F347 PolarHBondContact O-N 3.29Å
348K33.5Very low38.2Very low153 Ų153114 Ų11467%0.66560%0.596SS**G310 helixtrans-98.90.6-173.1-143.3175.6-175.9-177.60115S345 M346 L351S345-K348 WeakPolarHBondContact O-CB 3.14Å; S345-K348 PolarHBondContact O-N 2.8Å; S345-K348 VanDerWaalsContact O-N 3.1Å; M346-K348 VanDerWaalsContact C-N 3.3Å; M346-K348 PolarHBondContact O-N 2.78Å; K348-L351 HydrophobicContact CG-CD1 3.84Å
349F31.1Very low40.4Very low182 Ų182111 Ų11180%0.79857%0.573SS**SBendtrans-102-1.8-170.5-82.4-78.7000116.7
350S33.9Very low42.9Very low75 Ų75103.5 Ų103.552%0.52454%0.537SS..  trans-97.711.4174.7-52.50000114.3N352S350-N352 VanDerWaalsContact C-N 3.28Å; S350-N352 PolarHBondContact O-N 3.25Å; S350-N352 VanDerWaalsContact O-N 3.11Å
351L33Very low45.5Very low123 Ų12394.2 Ų94.264%0.64450%0.497SS*.THydrogen-bonded Turntrans-73.1-2-161.5-103.2161.4000117.1K348K348-L351 HydrophobicContact CG-CD1 3.84Å
352N34Very low48.1Very low109 Ų10987 Ų8758%0.58346%0.46SS*.THydrogen-bonded Turntrans-110.67.9-175-69.30.1000114.6S350 V682S350-N352 VanDerWaalsContact C-N 3.28Å; S350-N352 PolarHBondContact O-N 3.25Å; S350-N352 VanDerWaalsContact O-N 3.11Å; N352-V682 HydrophobicContact CB-CG2 4.31Å
353S41.9Very low50.9Low19 Ų1981.2 Ų81.213%0.13343%0.425CS..SBendtrans-110.3135.4166.41790000109.1F355S353-F355 VanDerWaalsContact CB-O 3.27Å; S353-F355 WeakPolarHBondContact CB-O 3.49Å; S353-F355 PolarHBondContact O-N 3.09Å; S353-F355 VanDerWaalsContact O-N 3.1Å; S353-F355 PolarHBondContact OG-N 2.92Å; S353-F355 PolarHBondContact OG-O 3.36Å
354P49.8Very low53.8Low51 Ų5174.2 Ų74.233%0.33139%0.388SS..SBendtrans-63.9-14.3174.623.4-30.3000112.7L679P354-L679 WeakPolarHBondContact CD-O 3.25Å; P354-L679 HydrophobicContact CG-CG 4.26Å; P354-L679 VanDerWaalsContact CG-O 3.28Å; P354-L679 WeakPolarHBondContact CG-O 3.41Å
355F55.4Low56.4Low8 Ų867.2 Ų67.24%0.03535%0.351CS..SBendtrans-125.3111.3171.6-53.5-91000108.1S224 S227 Q228 S353 T357 P363 T368S224-F355 VanDerWaalsContact O-CD1 3.29Å; S224-F355 WeakPolarHBondContact O-CD1 3.44Å; S224-F355 WeakPolarHBondContact O-CE1 3.49Å; S227-F355 WeakPolarHBondContact OG-CE1 3.31Å; S227-F355 WeakPolarHBondContact OG-CZ 3.16Å; Q228-F355 HydrophobicContact CB-CZ 4.06Å; Q228-F355 HydrophobicContact CG-CE2 4.2Å; Q228-F355 HydrophobicContact CG-CZ 3.68Å; S353-F355 VanDerWaalsContact CB-O 3.27Å; S353-F355 WeakPolarHBondContact CB-O 3.49Å; S353-F355 PolarHBondContact O-N 3.09Å; S353-F355 VanDerWaalsContact O-N 3.1Å; S353-F355 PolarHBondContact OG-N 2.92Å; S353-F355 PolarHBondContact OG-O 3.36Å; F355-T357 HydrophobicContact CB-CG2 4.48Å; F355-T357 PolarHBondContact O-N 3.26Å; F355-P363 HydrophobicContact CB-CG 4.45Å; F355-P363 HydrophobicContact CD1-CG 4.39Å; F355-T368 HydrophobicContact CD2-CG2 4.27Å; F355-T368 HydrophobicContact CE1-CG2 4.39Å; F355-T368 HydrophobicContact CE2-CG2 3.27Å; F355-T368 HydrophobicContact CZ-CG2 3.35Å
356P59Low59.1Low80 Ų8064.1 Ų64.152%0.51933%0.329SS..  trans-63125.2165.127.2-32000107.6
357T63.2Low61.8Low27 Ų2756.6 Ų56.617%0.16629%0.292CS..  trans-111.6154-178.553.10000113.1F355 F362 P738F355-T357 HydrophobicContact CB-CG2 4.48Å; F355-T357 PolarHBondContact O-N 3.26Å; T357-F362 CarbonylContact C-O 3.58Å; T357-F362 WeakPolarHBondContact CA-O 3.16Å; T357-F362 VanDerWaalsContact CB-O 3.28Å; T357-F362 WeakPolarHBondContact CB-O 3.4Å; T357-F362 WeakPolarHBondContact CG2-O 3.5Å; T357-P738 PolarHBondContact OG1-O 2.84Å
358D71.6Confident64.1Low44 Ų4447 Ų4724%0.23525%0.251CS..  trans-74.5178.5175.185.3-27.7000112.9W360 G361 F362 R637 G739D358-W360 PolarHBondContact O-N 3.18Å; D358-W360 WeakPolarHBondContact OD1-CA 3.29Å; D358-W360 WeakPolarHBondContact OD1-CB 3.25Å; D358-W360 PolarHBondContact OD1-N 2.96Å; D358-G361 PolarHBondContact O-N 2.78Å; D358-G361 PolarHBondContact OD1-N 3.11Å; D358-F362 PolarHBondContact N-O 2.78Å; D358-F362 WeakPolarHBondContact OD1-CB 3.34Å; D358-F362 WeakPolarHBondContact OD1-CD2 3.48Å; D358-F362 PolarHBondContact OD1-N 2.75Å; D358-R637 IonicContact OD2-NH2 2.75Å; D358-G739 WeakPolarHBondContact O-CA 3.29Å
359D71.5Confident66.2Low55 Ų5540 Ų4029%0.29422%0.22SC..THydrogen-bonded Turntrans-52.7-20.2176.2-86.118.5000114.1K741 I814D359-K741 PolarHBondContact O-N 2.67Å; D359-K741 WeakPolarHBondContact OD2-CE 3.27Å; D359-K741 IonicContact OD2-NZ 3.33Å; D359-K741 PolarHBondContact OD2-NZ 3.24Å; D359-I814 HydrophobicContact CB-CD1 4.45Å; D359-I814 HydrophobicContact CB-CG2 4.15Å
360W78.5Confident68.7Low24 Ų2431.3 Ų31.39%0.09118%0.182CC..THydrogen-bonded Turntrans-101.5-2.9178.9-79.472.7000114.2D358 F362 R637 L641 W670 G739 D747 I751D358-W360 PolarHBondContact O-N 3.18Å; D358-W360 WeakPolarHBondContact OD1-CA 3.29Å; D358-W360 WeakPolarHBondContact OD1-CB 3.25Å; D358-W360 PolarHBondContact OD1-N 2.96Å; W360-F362 HydrophobicContact CB-CD2 3.68Å; W360-F362 HydrophobicContact CB-CE2 3.56Å; W360-F362 HydrophobicContact CB-CZ 4.32Å; W360-F362 HydrophobicContact CG-CE2 4.17Å; W360-R637 HydrophobicContact CD2-CG 3.83Å; W360-R637 VanDerWaalsContact CD2-NE 3.35Å; W360-R637 HydrophobicContact CE3-CB 4.05Å; W360-R637 HydrophobicContact CE3-CG 3.56Å; W360-R637 HydrophobicContact CH2-CB 3.87Å; W360-R637 HydrophobicContact CH2-CG 4.06Å; W360-R637 HydrophobicContact CZ2-CB 4.49Å; W360-R637 HydrophobicContact CZ2-CG 4.31Å; W360-R637 HydrophobicContact CZ3-CB 3.62Å; W360-R637 HydrophobicContact CZ3-CG 3.68Å; W360-L641 HydrophobicContact CH2-CD1 3.82Å; W360-L641 HydrophobicContact CH2-CD2 4.25Å; W360-L641 HydrophobicContact CH2-CG 4.06Å; W360-L641 HydrophobicContact CZ3-CD1 4.26Å; W360-L641 HydrophobicContact CZ3-CD2 4.34Å; W360-L641 HydrophobicContact CZ3-CG 4.06Å; W360-W670 PolarHBondContact O-NE1 2.89Å; W360-G739 CarbonylContact C-O 2.95Å; W360-D747 HydrophobicContact CH2-CB 4.4Å; W360-D747 HydrophobicContact CZ2-CB 4.13Å; W360-I751 HydrophobicContact CH2-CD1 3.64Å; W360-I751 HydrophobicContact CZ2-CD1 4Å
361G78.9Confident71.3Confident3 Ų328.3 Ų28.33%0.03116%0.159CC..  trans82.423.4-178.500000114.2D358 G739D358-G361 PolarHBondContact O-N 2.78Å; D358-G361 PolarHBondContact OD1-N 3.11Å; G361-G739 WeakPolarHBondContact CA-O 3.33Å; G361-G739 PolarHBondContact N-O 3.36Å
362F84.7Confident74.1Confident2 Ų222.9 Ų22.91%0.00913%0.13CC..PPolyproline II helixtrans-89.8144173.5-60.8-51.9000112.4P219 T357 D358 W360 L364 L633 L636 R637 L640P219-F362 HydrophobicContact CB-CB 3.91Å; P219-F362 HydrophobicContact CB-CD1 4.41Å; P219-F362 HydrophobicContact CB-CD2 3.96Å; P219-F362 HydrophobicContact CB-CG 3.84Å; P219-F362 HydrophobicContact CG-CD1 4.23Å; P219-F362 HydrophobicContact CG-CD2 4Å; P219-F362 HydrophobicContact CG-CE1 4.42Å; P219-F362 HydrophobicContact CG-CE2 4.18Å; P219-F362 HydrophobicContact CG-CG 4.03Å; P219-F362 HydrophobicContact CG-CZ 4.39Å; T357-F362 CarbonylContact C-O 3.58Å; T357-F362 WeakPolarHBondContact CA-O 3.16Å; T357-F362 VanDerWaalsContact CB-O 3.28Å; T357-F362 WeakPolarHBondContact CB-O 3.4Å; T357-F362 WeakPolarHBondContact CG2-O 3.5Å; D358-F362 PolarHBondContact N-O 2.78Å; D358-F362 WeakPolarHBondContact OD1-CB 3.34Å; D358-F362 WeakPolarHBondContact OD1-CD2 3.48Å; D358-F362 PolarHBondContact OD1-N 2.75Å; W360-F362 HydrophobicContact CB-CD2 3.68Å; W360-F362 HydrophobicContact CB-CE2 3.56Å; W360-F362 HydrophobicContact CB-CZ 4.32Å; W360-F362 HydrophobicContact CG-CE2 4.17Å; F362-L364 HydrophobicContact CD1-CD2 4.04Å; F362-L364 HydrophobicContact CD1-CG 3.92Å; F362-L364 HydrophobicContact CE1-CD1 4.41Å; F362-L364 HydrophobicContact CE1-CD2 4.09Å; F362-L364 HydrophobicContact CE1-CG 4.01Å; F362-L633 HydrophobicContact CD2-CD1 4.08Å; F362-L633 HydrophobicContact CE2-CD1 3.53Å; F362-L633 HydrophobicContact CZ-CD1 4.2Å; F362-L636 HydrophobicContact CD1-CD2 4.27Å; F362-L636 HydrophobicContact CE1-CD2 3.45Å; F362-L636 VanDerWaalsContact CE1-CD2 3.45Å; F362-L636 HydrophobicContact CE1-CG 3.9Å; F362-L636 HydrophobicContact CZ-CD2 3.88Å; F362-L636 HydrophobicContact CZ-CG 4.01Å; F362-R637 HydrophobicContact CE2-CG 4.04Å; F362-R637 HydrophobicContact CZ-CG 4.14Å; F362-L640 HydrophobicContact CE1-CD1 3.79Å; F362-L640 HydrophobicContact CZ-CD1 3.81Å
363P87.3Confident77Confident4 Ų417.8 Ų17.83%0.02610%0.103CC..SBendcis-72.7142.81.131.5-37000112.3D220 S224 F355D220-P363 HydrophobicContact CB-CB 4.38Å; D220-P363 HydrophobicContact CB-CG 4.45Å; S224-P363 WeakPolarHBondContact OG-CG 3.26Å; F355-P363 HydrophobicContact CB-CG 4.45Å; F355-P363 HydrophobicContact CD1-CG 4.39Å
364L88.7Confident79.4Confident8 Ų817.8 Ų17.84%0.04210%0.103CC..PPolyproline II helixtrans-62.1142.8171.4-62.1-178.8000109.5L192 F362 V366 L636 W670L192-L364 HydrophobicContact CD2-CD1 3.77Å; F362-L364 HydrophobicContact CD1-CD2 4.04Å; F362-L364 HydrophobicContact CD1-CG 3.92Å; F362-L364 HydrophobicContact CE1-CD1 4.41Å; F362-L364 HydrophobicContact CE1-CD2 4.09Å; F362-L364 HydrophobicContact CE1-CG 4.01Å; L364-V366 HydrophobicContact CB-CG2 4.09Å; L364-V366 PolarHBondContact O-N 3.48Å; L364-L636 HydrophobicContact CD1-CD1 4.28Å; L364-L636 HydrophobicContact CD1-CD2 4.34Å; L364-W670 HydrophobicContact CD2-CB 4.06Å; L364-W670 VanDerWaalsContact CD2-CD1 3.46Å; L364-W670 HydrophobicContact CD2-CG 3.81Å
365S87.2Confident81.5Confident14 Ų1415.4 Ų15.410%0.0989%0.088CC..SBendtrans-74.948-17366.50000114.1T368 R665 I669S365-T368 PolarHBondContact O-OG1 3.27Å; S365-R665 PolarHBondContact O-NH1 3.24Å; S365-I669 VanDerWaalsContact OG-CD1 3.3Å; S365-I669 WeakPolarHBondContact OG-CD1 3.45Å
366V89.9Confident83.4Confident3 Ų315.1 Ų15.12%0.0189%0.086CC..  trans-65.9-49.1-174.6-1760000111.5L191 M221 L364 T368 Y371 N666L191-V366 HydrophobicContact CD1-CG1 4.09Å; L191-V366 HydrophobicContact CG-CG1 4.14Å; M221-V366 HydrophobicContact CE-CB 4.11Å; M221-V366 HydrophobicContact CE-CG2 3.89Å; L364-V366 HydrophobicContact CB-CG2 4.09Å; L364-V366 PolarHBondContact O-N 3.48Å; V366-T368 PolarHBondContact O-N 2.79Å; V366-Y371 WeakPolarHBondContact O-CB 3.33Å; V366-N666 HydrophobicContact CG2-CB 4.25Å
367F89.6Confident85Confident4 Ų411.8 Ų11.82%0.0186%0.064CC..SBendtrans-101.961.9-175.8-59.1-70.9000112.2L191 L215 M221 L226 Q228 C229 Y371 A373 V420L191-F367 HydrophobicContact CD1-CE1 4.15Å; L191-F367 HydrophobicContact CD1-CE2 4.33Å; L191-F367 HydrophobicContact CD1-CZ 3.51Å; L191-F367 HydrophobicContact CD2-CE2 4.36Å; L191-F367 HydrophobicContact CD2-CZ 4.24Å; L191-F367 HydrophobicContact CG-CZ 4.44Å; L215-F367 HydrophobicContact CD2-CD2 4.47Å; L215-F367 HydrophobicContact CD2-CE2 3.31Å; L215-F367 HydrophobicContact CD2-CZ 3.47Å; L215-F367 VanDerWaalsContact CD2-CZ 3.47Å; M221-F367 HydrophobicContact CE-CD2 4.43Å; M221-F367 HydrophobicContact CE-CE2 4.38Å; M221-F367 HydrophobicContact SD-CD2 3.65Å; M221-F367 HydrophobicContact SD-CE2 3.79Å; L226-F367 HydrophobicContact CD2-CD2 3.91Å; L226-F367 HydrophobicContact CD2-CE2 4.21Å; Q228-F367 CarbonylContact C-O 3.54Å; C229-F367 HydrophobicContact CB-CB 3.87Å; C229-F367 HydrophobicContact CB-CG 4.33Å; F367-Y371 CarbonylContact C-O 3.47Å; F367-Y371 VanDerWaalsContact CA-O 3.3Å; F367-Y371 WeakPolarHBondContact CA-O 3.36Å; F367-A373 HydrophobicContact CD1-CB 3.73Å; F367-A373 HydrophobicContact CE1-CB 3.64Å; F367-A373 HydrophobicContact CG-CB 4.2Å; F367-A373 HydrophobicContact CZ-CB 4.05Å; F367-V420 HydrophobicContact CE1-CB 4.38Å; F367-V420 HydrophobicContact CE1-CG2 4.36Å
368T83Confident86.3Confident0 Ų010.8 Ų10.80%06%0.058CC..  trans-139.2147.4-178.8580000110Q228 F355 S365 V366 R665 L679Q228-T368 HydrophobicContact CB-CG2 4.47Å; F355-T368 HydrophobicContact CD2-CG2 4.27Å; F355-T368 HydrophobicContact CE1-CG2 4.39Å; F355-T368 HydrophobicContact CE2-CG2 3.27Å; F355-T368 HydrophobicContact CZ-CG2 3.35Å; S365-T368 PolarHBondContact O-OG1 3.27Å; V366-T368 PolarHBondContact O-N 2.79Å; T368-R665 PolarHBondContact O-NH1 3.29Å; T368-R665 VanDerWaalsContact OG1-CZ 3.28Å; T368-R665 PolarHBondContact OG1-NH1 2.9Å; T368-R665 PolarHBondContact OG1-NH2 3.31Å; T368-L679 HydrophobicContact CG2-CD1 4.35Å
369K77.8Confident87Confident5 Ų511.4 Ų11.42%0.0226%0.061CC..SBendtrans51.769.9-175.6-65.9-162.7156.9-139.10113.7D233 S235 E239 Y371 P676D233-K369 VanDerWaalsContact OD2-CE 3.3Å; D233-K369 WeakPolarHBondContact OD2-CE 3.01Å; D233-K369 IonicContact OD2-NZ 3.72Å; D233-K369 PolarHBondContact OD2-NZ 3.49Å; S235-K369 PolarHBondContact OG-NZ 2.93Å; S235-K369 VanDerWaalsContact OG-NZ 3.08Å; E239-K369 IonicContact OE1-NZ 2.73Å; E239-K369 PolarHBondContact OE1-NZ 2.99Å; E239-K369 IonicContact OE2-NZ 3.54Å; K369-Y371 PolarHBondContact O-N 2.92Å; K369-P676 HydrophobicContact CD-CB 3.88Å
370S83.4Confident87.5Confident0 Ų012 Ų120%08%0.08CC..SBendtrans61.927.2176.9-47.40000114.9F231 I232 D233 W236 S415 R417 G418F231-S370 WeakPolarHBondContact O-CA 3.25Å; F231-S370 PolarHBondContact O-N 3.48Å; I232-S370 WeakPolarHBondContact CA-OG 3.41Å; D233-S370 PolarHBondContact N-OG 3.19Å; D233-S370 PolarHBondContact O-OG 3.37Å; W236-S370 VanDerWaalsContact CD1-CB 3.43Å; S370-S415 WeakPolarHBondContact CB-O 3.35Å; S370-R417 PolarHBondContact O-N 2.75Å; S370-G418 PolarHBondContact O-N 3.23Å
371Y88.9Confident87.8Confident12 Ų1211.5 Ų11.55%0.0478%0.079CC..EExtended strand (participates in β ladder)trans-97.7108.9158-83.5-69.6000109.2E194 V366 F367 K369 R417 G418E194-Y371 HydrophobicContact CB-CE1 3.62Å; E194-Y371 HydrophobicContact CB-CE2 4.47Å; E194-Y371 WeakPolarHBondContact CB-OH 3.42Å; E194-Y371 HydrophobicContact CG-CE1 4.31Å; E194-Y371 HydrophobicContact CG-CE2 4.48Å; E194-Y371 WeakPolarHBondContact O-CE1 3.35Å; E194-Y371 PolarHBondContact OE2-OH 3.42Å; E194-Y371 VanDerWaalsContact OE2-OH 3.09Å; V366-Y371 WeakPolarHBondContact O-CB 3.33Å; F367-Y371 CarbonylContact C-O 3.47Å; F367-Y371 VanDerWaalsContact CA-O 3.3Å; F367-Y371 WeakPolarHBondContact CA-O 3.36Å; K369-Y371 PolarHBondContact O-N 2.92Å; Y371-R417 HydrophobicContact CD2-CB 4.41Å; Y371-R417 HydrophobicContact CE1-CB 4.33Å; Y371-R417 HydrophobicContact CE1-CG 4.21Å; Y371-R417 HydrophobicContact CE2-CB 4.18Å; Y371-R417 HydrophobicContact CE2-CG 3.8Å; Y371-R417 VanDerWaalsContact CZ-NE 3.26Å; Y371-R417 PolarHBondContact OH-NE 3.08Å; Y371-R417 PolarHBondContact OH-NH2 2.91Å; Y371-G418 WeakPolarHBondContact CA-O 3.37Å
372L91.8Very high87.9Confident8 Ų813 Ų134%0.0429%0.086CC..EExtended strand (participates in β ladder)trans-102.5151.2-168.2-53-179.4000113.1C229 F231 I232 P374 L385 V416 G418 F419 V420C229-L372 CarbonylContact O-C 3.51Å; C229-L372 VanDerWaalsContact O-CA 3.26Å; C229-L372 WeakPolarHBondContact O-CA 3.14Å; F231-L372 WeakPolarHBondContact O-CD2 3.37Å; I232-L372 HydrophobicContact CD1-CD1 4.14Å; I232-L372 HydrophobicContact CG1-CD1 4.03Å; I232-L372 HydrophobicContact CG1-CD2 4.05Å; L372-P374 VanDerWaalsContact C-CD 3.43Å; L372-L385 HydrophobicContact CD1-CD2 4.43Å; L372-V416 HydrophobicContact CD1-CB 4.46Å; L372-V416 HydrophobicContact CD1-CG1 3.93Å; L372-V416 HydrophobicContact CD1-CG2 3.63Å; L372-V416 HydrophobicContact CG-CG1 4.05Å; L372-V416 HydrophobicContact CG-CG2 4.45Å; L372-G418 PolarHBondContact N-O 3.39Å; L372-G418 VanDerWaalsContact N-O 3.1Å; L372-F419 HydrophobicContact CB-CB 4.22Å; L372-F419 CarbonylContact O-C 3.47Å; L372-F419 WeakPolarHBondContact O-CA 3.2Å; L372-V420 PolarHBondContact O-N 3.02Å
373A94Very high87.6Confident2 Ų217.5 Ų17.52%0.01711%0.11CC..  trans-126.359.8172.200000113.1S67 L226 C229 F367 L375 V420S67-A373 PolarHBondContact OG-O 2.91Å; L226-A373 HydrophobicContact CD2-CB 4.28Å; C229-A373 HydrophobicContact CB-CB 3.82Å; C229-A373 PolarHBondContact O-N 3.48Å; F367-A373 HydrophobicContact CD1-CB 3.73Å; F367-A373 HydrophobicContact CE1-CB 3.64Å; F367-A373 HydrophobicContact CG-CB 4.2Å; F367-A373 HydrophobicContact CZ-CB 4.05Å; A373-L375 PolarHBondContact O-N 3.37Å; A373-V420 CarbonylContact C-O 3.58Å; A373-V420 WeakPolarHBondContact CA-O 3.25Å
374P92.5Very high87.2Confident19 Ų1920.4 Ų20.412%0.12313%0.125CC..  trans-70.493.7176.229.8-32.9000110L372 Y376 L385 V420 A421 G422L372-P374 VanDerWaalsContact C-CD 3.43Å; P374-Y376 PolarHBondContact O-N 2.85Å; P374-L385 HydrophobicContact CG-CD2 4.22Å; P374-V420 WeakPolarHBondContact CD-O 3.5Å; P374-A421 HydrophobicContact CG-CB 3.8Å; P374-A421 WeakPolarHBondContact O-CA 3.4Å; P374-G422 PolarHBondContact O-N 3.4Å; P374-G422 VanDerWaalsContact O-N 3.07Å
375L94.6Very high86.8Confident2 Ų220.2 Ų20.21%0.0112%0.124CC..SBendtrans-53.6-27.8-177.7-61174.7000113.4Y65 F117 S208 M211 L212 L215 A373Y65-L375 CarbonylContact O-C 3.5Å; Y65-L375 VanDerWaalsContact O-CB 3.27Å; Y65-L375 WeakPolarHBondContact O-CB 3.42Å; F117-L375 HydrophobicContact CD1-CD1 4.33Å; F117-L375 HydrophobicContact CE1-CD1 3.67Å; F117-L375 HydrophobicContact CE2-CD1 3.92Å; F117-L375 HydrophobicContact CZ-CD1 3.41Å; F117-L375 VanDerWaalsContact CZ-CD1 3.41Å; S208-L375 WeakPolarHBondContact CB-O 3.33Å; M211-L375 HydrophobicContact CB-CD2 3.98Å; M211-L375 HydrophobicContact CE-CD2 4.35Å; M211-L375 VanDerWaalsContact SD-O 3.39Å; L212-L375 HydrophobicContact CD1-CD1 4.32Å; L212-L375 HydrophobicContact CD2-CD1 3.68Å; L212-L375 HydrophobicContact CD2-CD2 4Å; L212-L375 HydrophobicContact CG-CD1 3.98Å; L212-L375 HydrophobicContact CG-CD2 4.19Å; L215-L375 HydrophobicContact CD1-CD2 3.77Å; A373-L375 PolarHBondContact O-N 3.37Å
376Y94.9Very high86.1Confident2 Ų221.6 Ų21.61%0.00813%0.13CC..  trans-139.4141.1164.2-178.4-108.6000110.1L50 A53 D54 Y65 P374 P378 G422 T424L50-Y376 HydrophobicContact CD2-CD1 4.11Å; L50-Y376 WeakPolarHBondContact CD2-O 3.45Å; A53-Y376 WeakPolarHBondContact CA-OH 3.42Å; A53-Y376 HydrophobicContact CB-CE1 3.74Å; A53-Y376 HydrophobicContact CB-CE2 3.94Å; A53-Y376 VanDerWaalsContact CB-CZ 3.4Å; A53-Y376 WeakPolarHBondContact CB-OH 3.42Å; D54-Y376 PolarHBondContact N-OH 2.89Å; Y65-Y376 VanDerWaalsContact O-CB 3.25Å; Y65-Y376 WeakPolarHBondContact O-CB 3.47Å; Y65-Y376 PolarHBondContact O-N 3.27Å; Y65-Y376 VanDerWaalsContact O-N 3.11Å; P374-Y376 PolarHBondContact O-N 2.85Å; Y376-P378 HydrophobicContact CE1-CB 4.24Å; Y376-G422 CarbonylContact C-O 3.15Å; Y376-G422 VanDerWaalsContact CA-O 3.28Å; Y376-G422 WeakPolarHBondContact CA-O 3.42Å; Y376-T424 HydrophobicContact CE2-CG2 3.99Å; Y376-T424 PolarHBondContact OH-OG1 2.91Å
377I92.3Very high84.5Confident9 Ų926.6 Ų26.65%0.04615%0.153CC..  trans-138.7122172.4-159.4171.5000110.4L381 L385 A421 G422 A423I377-L381 HydrophobicContact CD1-CB 4.22Å; I377-L381 WeakPolarHBondContact CD1-O 3.42Å; I377-L381 HydrophobicContact CG1-CB 3.72Å; I377-L385 HydrophobicContact CD1-CD1 3.75Å; I377-L385 HydrophobicContact CD1-CD2 4.19Å; I377-L385 HydrophobicContact CD1-CG 3.73Å; I377-A421 HydrophobicContact CG2-CB 4.23Å; I377-G422 PolarHBondContact N-O 3.45Å; I377-A423 HydrophobicContact CG2-CB 4.45Å
378P91Very high82.5Confident6 Ų631.3 Ų31.34%0.03918%0.175CC..  trans-75.5160.3171.832.5-36.6000110.7A49 L50 Y376 G380 L381A49-P378 HydrophobicContact CB-CG 4.14Å; L50-P378 HydrophobicContact CD2-CG 4.43Å; Y376-P378 HydrophobicContact CE1-CB 4.24Å; P378-G380 PolarHBondContact O-N 2.87Å; P378-L381 HydrophobicContact CG-CB 4.04Å; P378-L381 HydrophobicContact CG-CD1 3.9Å; P378-L381 HydrophobicContact CG-CG 3.9Å; P378-L381 PolarHBondContact O-N 2.79Å
379L86.2Confident80.2Confident57 Ų5735.3 Ų35.330%0.29820%0.203SC..G310 helixtrans-54.6-39.6-178.8177.661.7000113L381 M382 N425 L427 L428L379-L381 PolarHBondContact O-N 3.42Å; L379-M382 WeakPolarHBondContact O-CB 3.36Å; L379-M382 PolarHBondContact O-N 2.99Å; L379-N425 HydrophobicContact CB-CB 4.28Å; L379-L427 HydrophobicContact CD2-CB 4.47Å; L379-L427 HydrophobicContact CD2-CD1 3.91Å; L379-L428 HydrophobicContact CD1-CD2 3.58Å; L379-L428 HydrophobicContact CD1-CG 3.97Å
380G83.3Confident77.9Confident68 Ų6840.3 Ų40.370%0.70124%0.239SC*.G310 helixtrans-69.9-4.4179.500000115.7P378P378-G380 PolarHBondContact O-N 2.87Å
381L84.3Confident75.5Confident13 Ų1346.6 Ų46.67%0.06827%0.271CS..G310 helixtrans-109.23.9173.1-74.5-174.9000113.4H46 L50 I377 P378 L379 D383 I384H46-L381 HydrophobicContact CB-CD1 3.81Å; H46-L381 HydrophobicContact CB-CD2 3.59Å; H46-L381 HydrophobicContact CB-CG 4.07Å; L50-L381 HydrophobicContact CD1-CD1 4.05Å; L50-L381 HydrophobicContact CD2-CD1 4.14Å; L50-L381 HydrophobicContact CG-CD1 4Å; I377-L381 HydrophobicContact CD1-CB 4.22Å; I377-L381 WeakPolarHBondContact CD1-O 3.42Å; I377-L381 HydrophobicContact CG1-CB 3.72Å; P378-L381 HydrophobicContact CG-CB 4.04Å; P378-L381 HydrophobicContact CG-CD1 3.9Å; P378-L381 HydrophobicContact CG-CG 3.9Å; P378-L381 PolarHBondContact O-N 2.79Å; L379-L381 PolarHBondContact O-N 3.42Å; L381-D383 PolarHBondContact O-N 2.79Å; L381-D383 VanDerWaalsContact O-N 3.09Å; L381-I384 HydrophobicContact CB-CD1 4.33Å; L381-I384 HydrophobicContact CD1-CD1 4.45Å; L381-I384 HydrophobicContact CD2-CD1 3.6Å; L381-I384 HydrophobicContact CD2-CG1 4.3Å; L381-I384 HydrophobicContact CG-CD1 4.35Å; L381-I384 WeakPolarHBondContact O-CB 3.38Å; L381-I384 PolarHBondContact O-N 2.85Å
382M80.5Confident72.7Confident34 Ų3453.9 Ų53.917%0.16731%0.305CS..G310 helixtrans-54.5-31.9179.7-177.7179.160.700112.7L379 I384 L385 L428 L434L379-M382 WeakPolarHBondContact O-CB 3.36Å; L379-M382 PolarHBondContact O-N 2.99Å; M382-I384 PolarHBondContact O-N 2.95Å; M382-L385 WeakPolarHBondContact O-CB 3.33Å; M382-L385 PolarHBondContact O-N 3.05Å; M382-L428 HydrophobicContact CB-CD2 4.04Å; M382-L428 HydrophobicContact CG-CD2 3.9Å; M382-L428 HydrophobicContact SD-CD2 3.41Å; M382-L428 WeakPolarHBondContact SD-CD2 3.41Å; M382-L434 HydrophobicContact CG-CD2 3.69Å; M382-L434 HydrophobicContact SD-CD2 3.77Å
383D78Confident69.7Low98 Ų9860.8 Ų60.852%0.52434%0.339SS..G310 helixtrans-63-27.9-179.9-64.6-30.7000112.5L381 L385 L386 E387L381-D383 PolarHBondContact O-N 2.79Å; L381-D383 VanDerWaalsContact O-N 3.09Å; D383-L385 PolarHBondContact O-N 3.07Å; D383-L386 CarbonylContact O-C 3.39Å; D383-L386 WeakPolarHBondContact O-CA 3.25Å; D383-L386 PolarHBondContact O-N 2.89Å; D383-E387 WeakPolarHBondContact O-CA 3.48Å; D383-E387 VanDerWaalsContact O-CB 3.25Å; D383-E387 WeakPolarHBondContact O-CB 3.26Å; D383-E387 PolarHBondContact O-N 3.29Å
384I79.3Confident66.6Low65 Ų6565 Ų6533%0.33337%0.369SS..G310 helixtrans-58.2-26.2173.1-61.3-177.8000111.8I232 L381 M382 L386 V416I232-I384 HydrophobicContact CD1-CG2 4.03Å; L381-I384 HydrophobicContact CB-CD1 4.33Å; L381-I384 HydrophobicContact CD1-CD1 4.45Å; L381-I384 HydrophobicContact CD2-CD1 3.6Å; L381-I384 HydrophobicContact CD2-CG1 4.3Å; L381-I384 HydrophobicContact CG-CD1 4.35Å; L381-I384 WeakPolarHBondContact O-CB 3.38Å; L381-I384 PolarHBondContact O-N 2.85Å; M382-I384 PolarHBondContact O-N 2.95Å; I384-L386 VanDerWaalsContact C-N 3.33Å; I384-V416 WeakPolarHBondContact O-CG2 3.49Å
385L81.1Confident63.5Low3 Ų368.1 Ų68.12%0.01639%0.391CS..G310 helixtrans-85-4176.4-55.6-179.5000113.9L372 P374 I377 M382 D383 F419 A421 L434L372-L385 HydrophobicContact CD1-CD2 4.43Å; P374-L385 HydrophobicContact CG-CD2 4.22Å; I377-L385 HydrophobicContact CD1-CD1 3.75Å; I377-L385 HydrophobicContact CD1-CD2 4.19Å; I377-L385 HydrophobicContact CD1-CG 3.73Å; M382-L385 WeakPolarHBondContact O-CB 3.33Å; M382-L385 PolarHBondContact O-N 3.05Å; D383-L385 PolarHBondContact O-N 3.07Å; L385-F419 HydrophobicContact CB-CD1 4.25Å; L385-F419 HydrophobicContact CB-CE1 4.04Å; L385-F419 HydrophobicContact CD1-CD1 4.4Å; L385-F419 HydrophobicContact CD1-CD2 4.25Å; L385-F419 HydrophobicContact CD1-CE1 4.19Å; L385-F419 HydrophobicContact CD1-CE2 4.06Å; L385-F419 HydrophobicContact CD1-CG 4.43Å; L385-F419 HydrophobicContact CD1-CZ 4.03Å; L385-F419 HydrophobicContact CD2-CB 4.2Å; L385-F419 HydrophobicContact CD2-CD1 3.97Å; L385-F419 HydrophobicContact CD2-CD2 4.48Å; L385-F419 HydrophobicContact CD2-CE1 4.48Å; L385-F419 HydrophobicContact CD2-CG 3.97Å; L385-F419 HydrophobicContact CG-CD1 4.44Å; L385-F419 HydrophobicContact CG-CE1 4.48Å; L385-A421 HydrophobicContact CD1-CB 4.2Å; L385-L434 HydrophobicContact CB-CD1 3.84Å
386L70.8Confident60.5Low44 Ų4479 Ų7923%0.2343%0.432CS..THydrogen-bonded Turntrans-124.5-30.7-174-67.5173.6000113.9D383 I384 L434D383-L386 CarbonylContact O-C 3.39Å; D383-L386 WeakPolarHBondContact O-CA 3.25Å; D383-L386 PolarHBondContact O-N 2.89Å; I384-L386 VanDerWaalsContact C-N 3.33Å; L386-L434 HydrophobicContact CD1-CD1 4.21Å; L386-L434 HydrophobicContact CD2-CD1 3.45Å; L386-L434 VanDerWaalsContact CD2-CD1 3.45Å; L386-L434 HydrophobicContact CG-CD1 3.63Å
387E56.8Low57.5Low108 Ų10883.5 Ų83.551%0.50546%0.464SS..  trans-64.7149.6-152.3-171.7166.1-163.800113.8D383 S415D383-E387 WeakPolarHBondContact O-CA 3.48Å; D383-E387 VanDerWaalsContact O-CB 3.25Å; D383-E387 WeakPolarHBondContact O-CB 3.26Å; D383-E387 PolarHBondContact O-N 3.29Å; E387-S415 WeakPolarHBondContact O-CB 3.33Å; E387-S415 PolarHBondContact O-N 3.23Å; E387-S415 PolarHBondContact O-OG 3.01Å
388H47.1Very low54.5Low102 Ų10288 Ų8847%0.47250%0.496SS..  trans-122.2144.5-175.6-152.5-9.7000108.4S390 D413H388-S390 PolarHBondContact O-N 2.9Å; H388-D413 PolarHBondContact CD2-N 2.86Å; H388-D413 PolarHBondContact CD2-O 3.42Å; H388-D413 PolarHBondContact CE1-O 3.42Å; H388-D413 PolarHBondContact ND1-O 3.42Å; H388-D413 VanDerWaalsContact NE2-CB 3.29Å; H388-D413 WeakPolarHBondContact NE2-CB 3.42Å
389S35.4Very low52Low84 Ų8495.4 Ų95.459%0.58753%0.534SS*.  trans-58.2123.8-161.853.60000116.2L391S389-L391 PolarHBondContact O-N 3.15Å
390S30.8Very low49.5Very low111 Ų11199.5 Ų99.578%0.77656%0.556SS**  trans-85.845.5158.652.60000112.3H388 H392H388-S390 PolarHBondContact O-N 2.9Å; S390-H392 PolarHBondContact O-N 3.13Å; S390-H392 VanDerWaalsContact O-N 3.09Å
391L32.5Very low47Very low131 Ų131104 Ų10469%0.68656%0.563SS**  trans-78.293.2169.5-97.6164.1000109.6S389 M393S389-L391 PolarHBondContact O-N 3.15Å; L391-M393 HydrophobicContact CD2-CE 4.46Å; L391-M393 PolarHBondContact O-N 2.95Å
392H29.2Very low44.5Very low165 Ų165108.6 Ų108.676%0.76459%0.593SS**  trans-70.478.2175.6-147.3-84.3000110.1S390 S394S390-H392 PolarHBondContact O-N 3.13Å; S390-H392 VanDerWaalsContact O-N 3.09Å; H392-S394 PolarHBondContact CE1-OG 2.94Å; H392-S394 PolarHBondContact ND1-OG 2.84Å; H392-S394 PolarHBondContact O-N 2.8Å
393M29.9Very low42.2Very low153 Ų153112.5 Ų112.575%0.75462%0.624SS**  trans-71.373.9176.5-89.3-71116.600111.4L391 S395L391-M393 HydrophobicContact CD2-CE 4.46Å; L391-M393 PolarHBondContact O-N 2.95Å; M393-S395 PolarHBondContact O-N 3.28Å
394S27.3Very low40Very low92 Ų92113.6 Ų113.664%0.64364%0.639SS**  trans-93.262.7174.2-61.20000111.9H392H392-S394 PolarHBondContact CE1-OG 2.94Å; H392-S394 PolarHBondContact ND1-OG 2.84Å; H392-S394 PolarHBondContact O-N 2.8Å
395S29.2Very low37.7Very low84 Ų84113.7 Ų113.759%0.58766%0.657SS**  trans-157.8141.8158.973.80000113M393M393-S395 PolarHBondContact O-N 3.28Å
396R30.5Very low35.2Very low231 Ų231121.5 Ų121.587%0.87270%0.699SS**  trans67.892.9163.4-62.6175.3179.5-166.9-2.2115.9
397S32.1Very low33.2Very low95 Ų95128.2 Ų128.266%0.66473%0.729SS**  96100.26663.80000113.3
398S29.3Very low32Very low105 Ų105127.2 Ų127.273%0.73473%0.734SS**  trans39.6100137.559.60000119.5
399I38.1Very low31.1Very low161 Ų161130.9 Ų130.983%0.82676%0.756SS**  trans-145.3115.9133.9-81.7115000109.1
400N33.4Very low31Very low142 Ų142131.1 Ų131.176%0.75975%0.754SS**  trans24.3116.7148.6-52.7-21.4000122.1
401L30.7Very low31.2Very low163 Ų163133.3 Ų133.385%0.85376%0.756SS**  27.5159.7123.9-93.274.6000122
402P33.4Very low31.7Very low109 Ų109131 Ų13171%0.70875%0.747SS**  cis-136173.31230.6-7000118.1
403S31.2Very low32.5Very low116 Ų116126.8 Ų126.881%0.81173%0.731SS**  trans-37.4121.9170.553.40000119.4
404S31.7Very low33.9Very low121 Ų121121.9 Ų121.985%0.84670%0.704SS**  -177.3138.1119.963.50000111.2
405G31.4Very low35.7Very low68 Ų68118.3 Ų118.370%0.70168%0.679SS**SBendtrans105.9122.5168.100000115.2Q407G405-Q407 PolarHBondContact O-N 3.03Å; G405-Q407 VanDerWaalsContact O-N 3.1Å
406N27.8Very low38Very low167 Ų167114.3 Ų114.389%0.89365%0.651SS**  trans-49.2105.5-178.8-60.9-24.7000113.9S408N406-S408 PolarHBondContact O-N 3.18Å
407Q29Very low40.4Very low184 Ų184104.2 Ų104.286%0.8661%0.613SS**  trans-90.182.7162.4-70.4-172.19.600109.8G405 L409G405-Q407 PolarHBondContact O-N 3.03Å; G405-Q407 VanDerWaalsContact O-N 3.1Å; Q407-L409 PolarHBondContact O-N 3.09Å
408S31.2Very low43.1Very low87 Ų8799.7 Ų99.761%0.60858%0.581SS**  trans-77110.6162.955.70000108.7N406 T410N406-S408 PolarHBondContact O-N 3.18Å; S408-T410 PolarHBondContact O-N 2.88Å
409L28.5Very low46.1Very low180 Ų18094.8 Ų94.894%0.94255%0.547SS*.  trans-65.995.2170.8-74.1157000109Q407Q407-L409 PolarHBondContact O-N 3.09Å
410T33.1Very low48.8Very low89 Ų8987.4 Ų87.455%0.54651%0.509SS..  trans-97.2142.8-17544.70000112.7S408S408-T410 PolarHBondContact O-N 2.88Å
411L36.3Very low51.7Low156 Ų15680.6 Ų80.682%0.81747%0.473SS*.SBendtrans-41.4137.4-170.5-89.376.9000118.2
412T42.1Very low54.7Low82 Ų8272.9 Ų72.950%0.50343%0.432SS..  trans76.465.1140.762.60000120.1R414T412-R414 PolarHBondContact O-N 3.03Å; T412-R414 VanDerWaalsContact O-N 3.14Å
413D46.9Very low57.6Low78 Ų7867.7 Ų67.742%0.41740%0.398SS..  trans-75.993.5152.2-1553.4000109.2I237 H388 S415I237-D413 WeakPolarHBondContact CG2-OD2 3.33Å; H388-D413 PolarHBondContact CD2-N 2.86Å; H388-D413 PolarHBondContact CD2-O 3.42Å; H388-D413 PolarHBondContact CE1-O 3.42Å; H388-D413 PolarHBondContact ND1-O 3.42Å; H388-D413 VanDerWaalsContact NE2-CB 3.29Å; H388-D413 WeakPolarHBondContact NE2-CB 3.42Å; D413-S415 PolarHBondContact O-N 3.45Å
414R59.3Low60.6Low50 Ų5063 Ų6319%0.18937%0.365CS..  trans-69.3125.7-169.3-54.1177.1-174.7-171.8-5.8110.2R196 W236 T412 V416 Q433R196-R414 VanDerWaalsContact NH1-NH1 3.12Å; W236-R414 VanDerWaalsContact CZ2-O 3.28Å; W236-R414 WeakPolarHBondContact CZ2-O 3.49Å; T412-R414 PolarHBondContact O-N 3.03Å; T412-R414 VanDerWaalsContact O-N 3.14Å; R414-V416 PolarHBondContact O-N 3.16Å; R414-V416 VanDerWaalsContact O-N 3.15Å; R414-Q433 VanDerWaalsContact CZ-O 3.32Å; R414-Q433 PolarHBondContact NH1-O 3.17Å; R414-Q433 PolarHBondContact NH2-O 3.07Å
415S64.2Low63.3Low17 Ų1758.4 Ų58.412%0.11933%0.331CS..SBendtrans-61.3-25.4-179.159.40000115.2W236 S370 E387 D413W236-S415 PolarHBondContact NE1-O 3.4Å; S370-S415 WeakPolarHBondContact CB-O 3.35Å; E387-S415 WeakPolarHBondContact O-CB 3.33Å; E387-S415 PolarHBondContact O-N 3.23Å; E387-S415 PolarHBondContact O-OG 3.01Å; D413-S415 PolarHBondContact O-N 3.45Å
416V78.5Confident65.8Low0 Ų059.6 Ų59.60%033%0.326CS..  trans-93.6122.1-178.7179.60000111.5R196 I232 L372 I384 R414 G418 F419R196-V416 PolarHBondContact NH2-O 3.39Å; I232-V416 HydrophobicContact CD1-CG2 4.23Å; L372-V416 HydrophobicContact CD1-CB 4.46Å; L372-V416 HydrophobicContact CD1-CG1 3.93Å; L372-V416 HydrophobicContact CD1-CG2 3.63Å; L372-V416 HydrophobicContact CG-CG1 4.05Å; L372-V416 HydrophobicContact CG-CG2 4.45Å; I384-V416 WeakPolarHBondContact O-CG2 3.49Å; R414-V416 PolarHBondContact O-N 3.16Å; R414-V416 VanDerWaalsContact O-N 3.15Å; V416-G418 VanDerWaalsContact CG1-O 3.3Å; V416-G418 WeakPolarHBondContact CG1-O 3.16Å; V416-F419 HydrophobicContact CG1-CB 4.36Å; V416-F419 HydrophobicContact CG1-CD1 4.08Å
417R80.6Confident68.6Low18 Ų1856.7 Ų56.77%0.06831%0.31CS..SBendtrans-69.8-49-177.9-167.2173.8149.2146-0.1110.9E194 W236 S370 Y371 R539E194-R417 IonicContact OE2-NH2 2.72Å; W236-R417 HydrophobicContact CD2-CB 3.82Å; W236-R417 HydrophobicContact CD2-CG 3.93Å; W236-R417 HydrophobicContact CE3-CB 4.17Å; W236-R417 HydrophobicContact CE3-CG 3.78Å; W236-R417 HydrophobicContact CG-CB 4.28Å; W236-R417 HydrophobicContact CH2-CB 4.27Å; W236-R417 HydrophobicContact CH2-CG 4.2Å; W236-R417 HydrophobicContact CZ2-CB 3.88Å; W236-R417 HydrophobicContact CZ2-CG 4.3Å; W236-R417 HydrophobicContact CZ3-CB 4.4Å; W236-R417 HydrophobicContact CZ3-CG 3.93Å; S370-R417 PolarHBondContact O-N 2.75Å; Y371-R417 HydrophobicContact CD2-CB 4.41Å; Y371-R417 HydrophobicContact CE1-CB 4.33Å; Y371-R417 HydrophobicContact CE1-CG 4.21Å; Y371-R417 HydrophobicContact CE2-CB 4.18Å; Y371-R417 HydrophobicContact CE2-CG 3.8Å; Y371-R417 VanDerWaalsContact CZ-NE 3.26Å; Y371-R417 PolarHBondContact OH-NE 3.08Å; Y371-R417 PolarHBondContact OH-NH2 2.91Å; R417-R539 PolarHBondContact O-NH1 3.37Å
418G87.5Confident71.1Confident0 Ų048.1 Ų48.10%027%0.27CS..EExtended strand (participates in β ladder)trans-162.1174.7170.900000111.3S370 Y371 L372 V416S370-G418 PolarHBondContact O-N 3.23Å; Y371-G418 WeakPolarHBondContact CA-O 3.37Å; L372-G418 PolarHBondContact N-O 3.39Å; L372-G418 VanDerWaalsContact N-O 3.1Å; V416-G418 VanDerWaalsContact CG1-O 3.3Å; V416-G418 WeakPolarHBondContact CG1-O 3.16Å
419F92.3Very high73.3Confident3 Ų347.6 Ų47.61%0.01326%0.258CS..EExtended strand (participates in β ladder)trans-159.4157.9-177.259.4-101.1000112.6R196 I197 L372 L385 V416 A421 L434 T435R196-F419 HydrophobicContact CB-CD1 4.4Å; R196-F419 HydrophobicContact CB-CE1 3.92Å; R196-F419 HydrophobicContact CB-CE2 4.37Å; R196-F419 HydrophobicContact CB-CZ 3.9Å; R196-F419 HydrophobicContact CG-CD1 4.02Å; R196-F419 HydrophobicContact CG-CE1 3.77Å; R196-F419 HydrophobicContact CG-CZ 4.28Å; I197-F419 PolarHBondContact N-O 3.06Å; I197-F419 WeakPolarHBondContact O-CD2 3.33Å; L372-F419 HydrophobicContact CB-CB 4.22Å; L372-F419 CarbonylContact O-C 3.47Å; L372-F419 WeakPolarHBondContact O-CA 3.2Å; L385-F419 HydrophobicContact CB-CD1 4.25Å; L385-F419 HydrophobicContact CB-CE1 4.04Å; L385-F419 HydrophobicContact CD1-CD1 4.4Å; L385-F419 HydrophobicContact CD1-CD2 4.25Å; L385-F419 HydrophobicContact CD1-CE1 4.19Å; L385-F419 HydrophobicContact CD1-CE2 4.06Å; L385-F419 HydrophobicContact CD1-CG 4.43Å; L385-F419 HydrophobicContact CD1-CZ 4.03Å; L385-F419 HydrophobicContact CD2-CB 4.2Å; L385-F419 HydrophobicContact CD2-CD1 3.97Å; L385-F419 HydrophobicContact CD2-CD2 4.48Å; L385-F419 HydrophobicContact CD2-CE1 4.48Å; L385-F419 HydrophobicContact CD2-CG 3.97Å; L385-F419 HydrophobicContact CG-CD1 4.44Å; L385-F419 HydrophobicContact CG-CE1 4.48Å; V416-F419 HydrophobicContact CG1-CB 4.36Å; V416-F419 HydrophobicContact CG1-CD1 4.08Å; F419-A421 HydrophobicContact CD2-CB 3.68Å; F419-A421 HydrophobicContact CE2-CB 4.06Å; F419-L434 HydrophobicContact CE1-CD1 4.34Å; F419-L434 HydrophobicContact CZ-CD1 4.31Å; F419-L434 HydrophobicContact CZ-CG 4.09Å; F419-T435 HydrophobicContact CE2-CG2 4.19Å; F419-T435 HydrophobicContact CZ-CG2 3.97Å
420V94.7Very high75.6Confident5 Ų543.4 Ų43.43%0.0324%0.244CC..EExtended strand (participates in β ladder)trans-121.5104.4162.9177.70000108.2L191 I197 F199 M211 F367 L372 A373 P374L191-V420 HydrophobicContact CD1-CB 4.43Å; L191-V420 HydrophobicContact CD1-CG2 3.4Å; I197-V420 HydrophobicContact CB-CG2 4.11Å; I197-V420 HydrophobicContact CD1-CG2 3.66Å; I197-V420 HydrophobicContact CG1-CG2 4.04Å; I197-V420 WeakPolarHBondContact O-CA 3.36Å; F199-V420 HydrophobicContact CD2-CG1 4.2Å; F199-V420 HydrophobicContact CE2-CG1 3.98Å; M211-V420 HydrophobicContact CE-CG1 3.85Å; M211-V420 WeakPolarHBondContact CE-O 3.42Å; F367-V420 HydrophobicContact CE1-CB 4.38Å; F367-V420 HydrophobicContact CE1-CG2 4.36Å; L372-V420 PolarHBondContact O-N 3.02Å; A373-V420 CarbonylContact C-O 3.58Å; A373-V420 WeakPolarHBondContact CA-O 3.25Å; P374-V420 WeakPolarHBondContact CD-O 3.5Å
421A94.6Very high77.6Confident0 Ų041.2 Ų41.20%023%0.229CC..EExtended strand (participates in β ladder)trans-114.8147.3-171.400000111.6I197 L198 F199 P374 I377 L385 F419I197-A421 PolarHBondContact O-N 2.93Å; L198-A421 CarbonylContact C-O 3.39Å; L198-A421 WeakPolarHBondContact CA-O 3.33Å; L198-A421 HydrophobicContact CD1-CB 3.72Å; F199-A421 PolarHBondContact N-O 3.35Å; P374-A421 HydrophobicContact CG-CB 3.8Å; P374-A421 WeakPolarHBondContact O-CA 3.4Å; I377-A421 HydrophobicContact CG2-CB 4.23Å; L385-A421 HydrophobicContact CD1-CB 4.2Å; F419-A421 HydrophobicContact CD2-CB 3.68Å; F419-A421 HydrophobicContact CE2-CB 4.06Å
422G94.9Very high79.2Confident0 Ų040.8 Ų40.80%022%0.22CC..EExtended strand (participates in β ladder)trans-113.7135.317600000111.7F199 V207 M211 P374 Y376 I377F199-G422 CarbonylContact O-C 3.59Å; V207-G422 VanDerWaalsContact CG1-CA 3.41Å; M211-G422 VanDerWaalsContact CE-N 3.33Å; M211-G422 WeakPolarHBondContact SD-CA 3.26Å; M211-G422 PolarHBondContact SD-N 3.01Å; P374-G422 PolarHBondContact O-N 3.4Å; P374-G422 VanDerWaalsContact O-N 3.07Å; Y376-G422 CarbonylContact C-O 3.15Å; Y376-G422 VanDerWaalsContact CA-O 3.28Å; Y376-G422 WeakPolarHBondContact CA-O 3.42Å; I377-G422 PolarHBondContact N-O 3.45Å
423A94.1Very high80.5Confident0 Ų044.2 Ų44.20%023%0.231CC..EExtended strand (participates in β ladder)trans-144.4152.7-17700000113.5L198 F199 T200 G201 I377 L428L198-A423 HydrophobicContact CD1-CB 3.93Å; L198-A423 HydrophobicContact CG-CB 4.47Å; F199-A423 PolarHBondContact O-N 3.29Å; T200-A423 VanDerWaalsContact CA-O 3.32Å; T200-A423 WeakPolarHBondContact CA-O 3.42Å; G201-A423 PolarHBondContact N-O 3.24Å; I377-A423 HydrophobicContact CG2-CB 4.45Å; A423-L428 HydrophobicContact CB-CD1 3.44Å; A423-L428 VanDerWaalsContact CB-CD1 3.44Å
424T93Very high81.9Confident17 Ų1740.6 Ų40.610%0.10421%0.211CC..  trans-107.8-17.617250.10000114.1D54 G201 Y376 P426D54-T424 WeakPolarHBondContact CB-OG1 3.31Å; D54-T424 WeakPolarHBondContact O-CB 3.3Å; D54-T424 PolarHBondContact O-OG1 3.3Å; G201-T424 VanDerWaalsContact O-CA 3.26Å; G201-T424 WeakPolarHBondContact O-CA 3.19Å; G201-T424 WeakPolarHBondContact O-CG2 3.4Å; Y376-T424 HydrophobicContact CE2-CG2 3.99Å; Y376-T424 PolarHBondContact OH-OG1 2.91Å; T424-P426 WeakPolarHBondContact O-CD 3.5Å
425N90.2Very high83.1Confident26 Ų2638.4 Ų38.414%0.13920%0.204CC..  trans-81.8116.4-175.9-160.3-47.8000111.5D54 L379 L427 L428D54-N425 HydrophobicContact CB-CB 4.31Å; D54-N425 WeakPolarHBondContact OD2-CB 3.37Å; D54-N425 PolarHBondContact OD2-ND2 3.06Å; L379-N425 HydrophobicContact CB-CB 4.28Å; N425-L427 PolarHBondContact O-N 3.17Å; N425-L427 VanDerWaalsContact O-N 3.16Å; N425-L427 VanDerWaalsContact OD1-CB 3.31Å; N425-L427 WeakPolarHBondContact OD1-CB 3.44Å; N425-L427 WeakPolarHBondContact OD1-CG 3.46Å; N425-L427 PolarHBondContact OD1-N 3.01Å; N425-L427 VanDerWaalsContact OD1-N 3.11Å; N425-L428 HydrophobicContact CB-CD1 4.07Å; N425-L428 HydrophobicContact CB-CG 4.39Å; N425-L428 WeakPolarHBondContact O-CB 3.19Å; N425-L428 PolarHBondContact O-N 3.04Å; N425-L428 VanDerWaalsContact O-N 3.14Å
426P83.7Confident84.1Confident92 Ų9239.7 Ų39.760%0.59721%0.208SC*.G310 helixtrans-66-19.4-177.527.3-35.4000113.1T424 L428 Q429T424-P426 WeakPolarHBondContact O-CD 3.5Å; P426-L428 PolarHBondContact O-N 2.97Å; P426-Q429 WeakPolarHBondContact O-CB 3.45Å; P426-Q429 PolarHBondContact O-N 3.43Å
427L85.2Confident84.7Confident107 Ų10739.7 Ų39.756%0.5621%0.208SC*.G310 helixtrans-60.6-27175.3-63.6175.7000112.3L379 N425 Q429 S430L379-L427 HydrophobicContact CD2-CB 4.47Å; L379-L427 HydrophobicContact CD2-CD1 3.91Å; N425-L427 PolarHBondContact O-N 3.17Å; N425-L427 VanDerWaalsContact O-N 3.16Å; N425-L427 VanDerWaalsContact OD1-CB 3.31Å; N425-L427 WeakPolarHBondContact OD1-CB 3.44Å; N425-L427 WeakPolarHBondContact OD1-CG 3.46Å; N425-L427 PolarHBondContact OD1-N 3.01Å; N425-L427 VanDerWaalsContact OD1-N 3.11Å; L427-Q429 PolarHBondContact O-N 3.39Å; L427-S430 WeakPolarHBondContact O-CB 3.33Å; L427-S430 PolarHBondContact O-N 3.44Å; L427-S430 PolarHBondContact O-OG 2.89Å
428L81.8Confident85.3Confident4 Ų439.2 Ų39.22%0.02121%0.206CC..G310 helixtrans-66.5-24177.1-65.9165.8000112.8L198 L379 M382 A423 N425 P426 S430L198-L428 HydrophobicContact CD2-CB 3.82Å; L379-L428 HydrophobicContact CD1-CD2 3.58Å; L379-L428 HydrophobicContact CD1-CG 3.97Å; M382-L428 HydrophobicContact CB-CD2 4.04Å; M382-L428 HydrophobicContact CG-CD2 3.9Å; M382-L428 HydrophobicContact SD-CD2 3.41Å; M382-L428 WeakPolarHBondContact SD-CD2 3.41Å; A423-L428 HydrophobicContact CB-CD1 3.44Å; A423-L428 VanDerWaalsContact CB-CD1 3.44Å; N425-L428 HydrophobicContact CB-CD1 4.07Å; N425-L428 HydrophobicContact CB-CG 4.39Å; N425-L428 WeakPolarHBondContact O-CB 3.19Å; N425-L428 PolarHBondContact O-N 3.04Å; N425-L428 VanDerWaalsContact O-N 3.14Å; P426-L428 PolarHBondContact O-N 2.97Å; L428-S430 VanDerWaalsContact C-N 3.26Å; L428-S430 PolarHBondContact O-N 3.49Å
429Q77.5Confident85.6Confident75 Ų7539.2 Ų39.235%0.3521%0.206SC..G310 helixtrans-69.8-21.6171.9-64.2-177.2-10.700113.1T200 P426 L427 F438T200-Q429 HydrophobicContact CG2-CG 3.88Å; T200-Q429 PolarHBondContact OG1-NE2 3.42Å; P426-Q429 WeakPolarHBondContact O-CB 3.45Å; P426-Q429 PolarHBondContact O-N 3.43Å; L427-Q429 PolarHBondContact O-N 3.39Å; Q429-F438 HydrophobicContact CB-CE1 4.47Å; Q429-F438 HydrophobicContact CG-CD1 4.48Å; Q429-F438 WeakPolarHBondContact O-CE2 3.31Å; Q429-F438 VanDerWaalsContact O-CZ 3.25Å; Q429-F438 WeakPolarHBondContact O-CZ 3.39Å
430S77.1Confident85.7Confident93 Ų9340.7 Ų40.765%0.6522%0.217SC*.G310 helixtrans-74.8-25.9-180750000113L427 L428 K432L427-S430 WeakPolarHBondContact O-CB 3.33Å; L427-S430 PolarHBondContact O-N 3.44Å; L427-S430 PolarHBondContact O-OG 2.89Å; L428-S430 VanDerWaalsContact C-N 3.26Å; L428-S430 PolarHBondContact O-N 3.49Å; S430-K432 PolarHBondContact O-N 2.67Å
431N74.4Confident85.6Confident42 Ų4241.4 Ų41.423%0.22522%0.222CC..  trans-83.276.2-177.4-169.1-11.2000112Q433 L434N431-Q433 PolarHBondContact O-N 2.7Å; N431-Q433 VanDerWaalsContact O-N 3.1Å; N431-Q433 PolarHBondContact OD1-N 2.99Å; N431-L434 HydrophobicContact CB-CB 4.32Å; N431-L434 PolarHBondContact O-N 3.02Å; N431-L434 PolarHBondContact OD1-N 3.03Å
432K70.3Confident85.4Confident147 Ų14743.8 Ų43.864%0.63923%0.234SC*.THydrogen-bonded Turntrans-60.6-16178.4-64.5-174.3179.1-175.80114.9S430S430-K432 PolarHBondContact O-N 2.67Å
433Q70.5Confident85Confident154 Ų15447.8 Ų47.872%0.7226%0.263SS*.THydrogen-bonded Turntrans-85.7-19.9-179.8-68.6-173.3-15.600113.2R414 N431R414-Q433 VanDerWaalsContact CZ-O 3.32Å; R414-Q433 PolarHBondContact NH1-O 3.17Å; R414-Q433 PolarHBondContact NH2-O 3.07Å; N431-Q433 PolarHBondContact O-N 2.7Å; N431-Q433 VanDerWaalsContact O-N 3.1Å; N431-Q433 PolarHBondContact OD1-N 2.99Å
434L75.3Confident84.4Confident2 Ų250.2 Ų50.21%0.0128%0.278CS..THydrogen-bonded Turntrans-75.9-46.4-179.1176.668.1000112.1R196 M382 L385 L386 F419 N431R196-L434 PolarHBondContact NH1-O 3.4Å; M382-L434 HydrophobicContact CG-CD2 3.69Å; M382-L434 HydrophobicContact SD-CD2 3.77Å; L385-L434 HydrophobicContact CB-CD1 3.84Å; L386-L434 HydrophobicContact CD1-CD1 4.21Å; L386-L434 HydrophobicContact CD2-CD1 3.45Å; L386-L434 VanDerWaalsContact CD2-CD1 3.45Å; L386-L434 HydrophobicContact CG-CD1 3.63Å; F419-L434 HydrophobicContact CE1-CD1 4.34Å; F419-L434 HydrophobicContact CZ-CD1 4.31Å; F419-L434 HydrophobicContact CZ-CG 4.09Å; N431-L434 HydrophobicContact CB-CB 4.32Å; N431-L434 PolarHBondContact O-N 3.02Å; N431-L434 PolarHBondContact OD1-N 3.03Å
435T84.2Confident83.5Confident5 Ų551.9 Ų51.93%0.03129%0.288CS..  trans-115.8141.6-165.354.70000111.8L198 F419 F438 N526L198-T435 HydrophobicContact CB-CG2 3.58Å; L198-T435 HydrophobicContact CD2-CG2 4.21Å; L198-T435 HydrophobicContact CG-CG2 4.45Å; F419-T435 HydrophobicContact CE2-CG2 4.19Å; F419-T435 HydrophobicContact CZ-CG2 3.97Å; T435-F438 HydrophobicContact CG2-CD1 4.45Å; T435-F438 HydrophobicContact CG2-CE1 3.9Å; T435-F438 HydrophobicContact CG2-CZ 4.49Å; T435-F438 WeakPolarHBondContact OG1-CE1 3.43Å; T435-F438 WeakPolarHBondContact OG1-CZ 3.46Å; T435-N526 PolarHBondContact O-ND2 3.11Å; T435-N526 PolarHBondContact OG1-ND2 2.86Å
436E86.6Confident82.2Confident43 Ų4355.3 Ų55.320%0.20130%0.302CS..SBendtrans-88.8-31.9172.6-72.5170.2-119.400110.9R195 R196 N526R195-E436 WeakPolarHBondContact CD-OE2 3.47Å; R195-E436 IonicContact CZ-OE2 2.77Å; R195-E436 IonicContact NE-OE2 3.62Å; R195-E436 IonicContact NH1-OE2 3.24Å; R195-E436 PolarHBondContact NH1-OE2 2.97Å; R196-E436 HydrophobicContact CB-CB 4.34Å; R196-E436 HydrophobicContact CB-CG 4.27Å; R196-E436 PolarHBondContact O-N 3.49Å; E436-N526 PolarHBondContact O-N 2.69Å
437V91.2Very high80.6Confident0 Ų052.7 Ų52.70%028%0.283CS..EExtended strand (participates in β ladder)trans-137.4131.3-179.6-174.40000111.1L190 R196 I197 L198 V439 I523 Q524 I525 L545L190-V437 HydrophobicContact CD1-CG2 3.92Å; L190-V437 HydrophobicContact CD2-CB 4Å; L190-V437 HydrophobicContact CD2-CG1 3.72Å; L190-V437 HydrophobicContact CD2-CG2 4Å; R196-V437 PolarHBondContact O-N 2.82Å; R196-V437 VanDerWaalsContact O-N 3.13Å; I197-V437 WeakPolarHBondContact CA-O 3.27Å; L198-V437 PolarHBondContact N-O 2.96Å; V437-V439 HydrophobicContact CG1-CG2 4.22Å; V437-I523 HydrophobicContact CG1-CG2 3.5Å; V437-I523 VanDerWaalsContact CG1-CG2 3.5Å; V437-Q524 WeakPolarHBondContact CA-O 3.04Å; V437-I525 HydrophobicContact CG2-CG1 4.3Å; V437-L545 HydrophobicContact CG2-CD2 3.55Å
438F92.6Very high78.3Confident8 Ų853.7 Ų53.74%0.03529%0.287CS..EExtended strand (participates in β ladder)trans-98.6141.1164.6-62.9-69.1000110.1L198 Q429 T435 Q524 N526L198-F438 HydrophobicContact CB-CD1 4.07Å; L198-F438 HydrophobicContact CB-CE1 4.42Å; L198-F438 HydrophobicContact CD2-CD1 3.96Å; L198-F438 HydrophobicContact CD2-CE1 3.8Å; L198-F438 CarbonylContact O-C 3.55Å; L198-F438 WeakPolarHBondContact O-CA 3.3Å; Q429-F438 HydrophobicContact CB-CE1 4.47Å; Q429-F438 HydrophobicContact CG-CD1 4.48Å; Q429-F438 WeakPolarHBondContact O-CE2 3.31Å; Q429-F438 VanDerWaalsContact O-CZ 3.25Å; Q429-F438 WeakPolarHBondContact O-CZ 3.39Å; T435-F438 HydrophobicContact CG2-CD1 4.45Å; T435-F438 HydrophobicContact CG2-CE1 3.9Å; T435-F438 HydrophobicContact CG2-CZ 4.49Å; T435-F438 WeakPolarHBondContact OG1-CE1 3.43Å; T435-F438 WeakPolarHBondContact OG1-CZ 3.46Å; F438-Q524 HydrophobicContact CB-CB 4.38Å; F438-Q524 PolarHBondContact N-O 3.29Å; F438-Q524 PolarHBondContact O-N 3.45Å; F438-N526 WeakPolarHBondContact CE2-ND2 3.37Å; F438-N526 WeakPolarHBondContact CE2-OD1 3.44Å
439V94.2Very high76Confident0 Ų055.8 Ų55.80%030%0.302CS..EExtended strand (participates in β ladder)trans-124.8116.1175.9-175.50000109.2Y180 L187 I197 L198 F199 T200 V437 S441 I522Y180-V439 HydrophobicContact CE1-CG1 4.44Å; L187-V439 HydrophobicContact CD1-CG1 4.21Å; L187-V439 HydrophobicContact CD2-CB 4.31Å; L187-V439 HydrophobicContact CD2-CG1 3.77Å; L187-V439 HydrophobicContact CD2-CG2 3.54Å; I197-V439 HydrophobicContact CG2-CG2 3.62Å; L198-V439 PolarHBondContact O-N 2.99Å; F199-V439 CarbonylContact C-O 3.56Å; F199-V439 WeakPolarHBondContact CA-O 3.49Å; F199-V439 HydrophobicContact CD1-CB 3.9Å; F199-V439 HydrophobicContact CD1-CG1 3.71Å; F199-V439 HydrophobicContact CD2-CB 4.36Å; F199-V439 HydrophobicContact CE1-CB 4.01Å; F199-V439 HydrophobicContact CE1-CG1 3.52Å; F199-V439 HydrophobicContact CE2-CB 4.44Å; F199-V439 HydrophobicContact CE2-CG2 4.32Å; F199-V439 HydrophobicContact CG-CB 4.08Å; F199-V439 HydrophobicContact CG-CG1 4.4Å; F199-V439 HydrophobicContact CZ-CB 4.26Å; F199-V439 HydrophobicContact CZ-CG1 4.05Å; F199-V439 HydrophobicContact CZ-CG2 4.29Å; T200-V439 PolarHBondContact N-O 3.41Å; T200-V439 PolarHBondContact OG1-O 2.96Å; V437-V439 HydrophobicContact CG1-CG2 4.22Å; V439-S441 PolarHBondContact O-N 3.49Å; V439-I522 CarbonylContact C-O 3.59Å; V439-I522 WeakPolarHBondContact CA-O 3.45Å
440S93.7Very high73.7Confident34 Ų3456 Ų5624%0.23830%0.303CS..EExtended strand (participates in β ladder)trans-72.1112.9173.5-63.50000109.4L442 I522S440-L442 PolarHBondContact O-N 2.84Å; S440-I522 PolarHBondContact N-O 3.21Å
441S91.7Very high71.3Confident20 Ų2058.2 Ų58.214%0.1431%0.308CS..PPolyproline II helixtrans-68.2119.2175.1174.20000109.7T200 V439T200-S441 WeakPolarHBondContact O-CB 3.45Å; T200-S441 PolarHBondContact O-N 3.21Å; V439-S441 PolarHBondContact O-N 3.49Å
442L90.7Very high69.4Low50 Ų5062.2 Ų62.226%0.26232%0.321SS..PPolyproline II helixtrans-85.6154.4-179.4-63.5176.6000111.3V179 Y180 W210 S440 I522V179-L442 HydrophobicContact CG1-CB 3.38Å; V179-L442 HydrophobicContact CG1-CD1 3.53Å; V179-L442 HydrophobicContact CG1-CG 4.09Å; Y180-L442 HydrophobicContact CD1-CD1 4.06Å; Y180-L442 HydrophobicContact CE1-CD1 4.04Å; Y180-L442 HydrophobicContact CE1-CG 4.15Å; Y180-L442 HydrophobicContact CG-CD1 4.41Å; Y180-L442 PolarHBondContact OH-N 3.05Å; W210-L442 PolarHBondContact NE1-O 3.2Å; S440-L442 PolarHBondContact O-N 2.84Å; L442-I522 HydrophobicContact CD1-CD1 3.81Å; L442-I522 HydrophobicContact CD1-CG1 4.1Å; L442-I522 HydrophobicContact CD1-CG2 4.29Å; L442-I522 HydrophobicContact CD2-CG1 4.35Å
443S86.9Confident67.6Low85 Ų8559.3 Ų59.359%0.59431%0.308SS*.PPolyproline II helixtrans-69.6137.1169.7-66.30000110.2
444P81.3Confident65.7Low50 Ų5054.3 Ų54.333%0.32529%0.289SS..PPolyproline II helixtrans-54.9146.2169.3-23.733.5000111.6T206 W210 K446T206-P444 HydrophobicContact CG2-CG 4.46Å; W210-P444 HydrophobicContact CH2-CB 4.29Å; W210-P444 HydrophobicContact CH2-CG 4.37Å; W210-P444 HydrophobicContact CZ2-CB 4.01Å; W210-P444 HydrophobicContact CZ2-CG 3.77Å; P444-K446 PolarHBondContact O-N 2.87Å; P444-K446 VanDerWaalsContact O-N 3.13Å
445V75.4Confident63.6Low52 Ų5258.2 Ų58.232%0.31531%0.307SS..PPolyproline II helixtrans-66.7117.6166.9-175.60000107.3N175 R178 V179 D447N175-V445 PolarHBondContact ND2-O 2.98Å; N175-V445 WeakPolarHBondContact OD1-CB 3.25Å; N175-V445 PolarHBondContact OD1-N 2.87Å; N175-V445 VanDerWaalsContact OD1-N 3.14Å; R178-V445 HydrophobicContact CG-CG2 4.37Å; V179-V445 HydrophobicContact CG2-CG2 3.75Å; V445-D447 PolarHBondContact O-N 2.95Å
446K62.2Low61.3Low99 Ų9959.4 Ų59.443%0.4331%0.313SS..  trans-79.6101.6166.8-63.7154.8174.3169.30106.7P444 H455 E458P444-K446 PolarHBondContact O-N 2.87Å; P444-K446 VanDerWaalsContact O-N 3.13Å; K446-H455 VanDerWaalsContact CD-CE1 3.48Å; K446-H455 WeakPolarHBondContact CD-CE1 3.4Å; K446-H455 WeakPolarHBondContact CD-NE2 3.48Å; K446-H455 WeakPolarHBondContact CE-CE1 3.49Å; K446-H455 WeakPolarHBondContact CE-NE2 3.41Å; K446-H455 PolarHBondContact NZ-CE1 2.96Å; K446-H455 PolarHBondContact NZ-ND1 3.38Å; K446-E458 IonicContact NZ-OE2 3.49Å; K446-E458 PolarHBondContact NZ-OE2 2.98Å
447D50.5Low58.6Low36 Ų3660.3 Ų60.319%0.19332%0.324CS..  trans-72.4175.8162.1-62.9-64.5000108.9R178 V445 C449 Y570R178-D447 IonicContact CZ-OD1 2.84Å; R178-D447 IonicContact CZ-OD2 2.69Å; R178-D447 IonicContact NH1-OD1 2.67Å; R178-D447 PolarHBondContact NH1-OD1 2.69Å; R178-D447 IonicContact NH1-OD2 3.87Å; R178-D447 PolarHBondContact NH1-OD2 3.3Å; R178-D447 IonicContact NH2-OD1 3.26Å; R178-D447 PolarHBondContact NH2-OD1 3.02Å; V445-D447 PolarHBondContact O-N 2.95Å; D447-C449 PolarHBondContact O-N 3.41Å; D447-Y570 WeakPolarHBondContact OD2-CD1 3.34Å; D447-Y570 WeakPolarHBondContact OD2-CE1 3.5Å
448I36.3Very low55.5Low128 Ų12865.1 Ų65.166%0.65635%0.347SS*.SBendtrans-65.2-5.1-158.3-78.2169.4000115.6
449C33.9Very low52.5Low49 Ų4971 Ų7133%0.33138%0.378SS..  trans-148.1166.9157.9-90.50000109.9D447 T589 H591D447-C449 PolarHBondContact O-N 3.41Å; C449-T589 HydrophobicContact CB-CG2 4.39Å; C449-H591 WeakPolarHBondContact CB-CD2 3.41Å; C449-H591 WeakPolarHBondContact CB-NE2 3.35Å; C449-H591 PolarHBondContact O-CE1 3.05Å; C449-H591 PolarHBondContact O-NE2 2.97Å
450E29.4Very low49.3Very low78 Ų7878.1 Ų78.136%0.36442%0.421SS..  trans18099.6133.8-167.7144.5-118.400109.1Y452 H591E450-Y452 PolarHBondContact O-N 2.77Å; E450-H591 VanDerWaalsContact CB-CE1 3.43Å; E450-H591 WeakPolarHBondContact CB-CE1 3.34Å; E450-H591 VanDerWaalsContact CD-ND1 3.28Å; E450-H591 WeakPolarHBondContact CG-ND1 3.49Å; E450-H591 IonicContact OE1-CE1 2.71Å; E450-H591 PolarHBondContact OE1-CE1 3.02Å; E450-H591 VanDerWaalsContact OE1-CE1 3.27Å; E450-H591 IonicContact OE1-CG 2.63Å; E450-H591 IonicContact OE1-ND1 3.37Å; E450-H591 PolarHBondContact OE1-ND1 3.04Å
451N26.6Very low46.1Very low141 Ų14180.2 Ų80.275%0.75445%0.448SS*.THydrogen-bonded Turntrans-76.139.4-172.9-83.7-34.5000114.9
452Y33.4Very low43.1Very low126 Ų12682.3 Ų82.349%0.49447%0.467SS..THydrogen-bonded Turntrans-131-4174.5-83.5-75.4000116.7H122 E450H122-Y452 AromaticContact CE1-CD1 3.62Å; H122-Y452 AromaticContact CE1-CE1 3.35Å; H122-Y452 WeakPolarHBondContact CE1-CE1 3.27Å; H122-Y452 AromaticContact CE1-CZ 3.71Å; H122-Y452 AromaticContact ND1-CD1 3.41Å; H122-Y452 WeakPolarHBondContact ND1-CD1 3.48Å; H122-Y452 AromaticContact ND1-CE1 3.58Å; E450-Y452 PolarHBondContact O-N 2.77Å
453F33.5Very low40.1Very low86 Ų8689.7 Ų89.738%0.37750%0.497SS..SBendtrans-132.984.9157.6-77.9-61.4000109.6N170 H455N170-F453 HydrophobicContact CB-CE2 4.49Å; N170-F453 WeakPolarHBondContact ND2-CD2 3.42Å; N170-F453 WeakPolarHBondContact ND2-CE2 3.36Å; N170-F453 WeakPolarHBondContact ND2-CZ 3.4Å; N170-F453 WeakPolarHBondContact OD1-CE2 3.42Å; F453-H455 PolarHBondContact O-N 2.58Å; F453-H455 VanDerWaalsContact O-N 3.1Å
454P29.7Very low37.3Very low49 Ų4989.1 Ų89.132%0.31851%0.505SS..  trans-76.1111178.627.9-26.7000110.2K61 L456K61-P454 HydrophobicContact CD-CG 4.06Å; K61-P454 HydrophobicContact CG-CG 4.23Å; P454-L456 PolarHBondContact O-N 3.21Å
455H32.5Very low34.8Very low83 Ų8396.6 Ų96.638%0.38453%0.532SS..  trans42.574.6135-75.6-118.2000115.5K446 F453 S457 E458K446-H455 VanDerWaalsContact CD-CE1 3.48Å; K446-H455 WeakPolarHBondContact CD-CE1 3.4Å; K446-H455 WeakPolarHBondContact CD-NE2 3.48Å; K446-H455 WeakPolarHBondContact CE-CE1 3.49Å; K446-H455 WeakPolarHBondContact CE-NE2 3.41Å; K446-H455 PolarHBondContact NZ-CE1 2.96Å; K446-H455 PolarHBondContact NZ-ND1 3.38Å; F453-H455 PolarHBondContact O-N 2.58Å; F453-H455 VanDerWaalsContact O-N 3.1Å; H455-S457 PolarHBondContact O-N 2.93Å; H455-E458 HydrophobicContact CB-CB 4.45Å; H455-E458 IonicContact CE1-OE2 3.38Å; H455-E458 PolarHBondContact CE1-OE2 3.45Å; H455-E458 VanDerWaalsContact CE1-OE2 3.26Å; H455-E458 IonicContact ND1-OE2 2.71Å; H455-E458 PolarHBondContact ND1-OE2 2.91Å
456L35.8Very low32.6Very low30 Ų3099.3 Ų99.316%0.15755%0.554CS.*THydrogen-bonded Turntrans-70.853.8164.7-65.7147.6000111Y59 K61 D62 S203 T206 P454Y59-L456 HydrophobicContact CD1-CB 4.01Å; Y59-L456 HydrophobicContact CD1-CD2 3.97Å; Y59-L456 HydrophobicContact CD2-CD2 3.45Å; Y59-L456 VanDerWaalsContact CD2-CD2 3.45Å; Y59-L456 VanDerWaalsContact CE1-CA 3.48Å; Y59-L456 HydrophobicContact CE1-CB 3.74Å; Y59-L456 HydrophobicContact CE1-CD2 4.31Å; Y59-L456 WeakPolarHBondContact CE1-O 3.18Å; Y59-L456 HydrophobicContact CE2-CB 4.32Å; Y59-L456 HydrophobicContact CE2-CD2 3.79Å; Y59-L456 HydrophobicContact CG-CB 4.42Å; Y59-L456 HydrophobicContact CG-CD2 3.52Å; Y59-L456 PolarHBondContact OH-O 3.32Å; K61-L456 WeakPolarHBondContact O-CD2 3.28Å; D62-L456 HydrophobicContact CB-CD2 3.69Å; D62-L456 VanDerWaalsContact CG-CD2 3.41Å; S203-L456 WeakPolarHBondContact OG-CD1 3.29Å; S203-L456 WeakPolarHBondContact OG-CD2 3.18Å; T206-L456 WeakPolarHBondContact OG1-CD1 3.42Å; P454-L456 PolarHBondContact O-N 3.21Å
457S29.3Very low30.9Very low62 Ų6299.3 Ų99.343%0.43457%0.572SS.*THydrogen-bonded Turntrans-179.8-24.4175.118.10000114.8H455H455-S457 PolarHBondContact O-N 2.93Å
458E26.6Very low29.7Very low102 Ų102107.5 Ų107.548%0.47761%0.606SS.*  trans-134.992.3-163.8-66.4166.7139.500112.1K446 H455K446-E458 IonicContact NZ-OE2 3.49Å; K446-E458 PolarHBondContact NZ-OE2 2.98Å; H455-E458 HydrophobicContact CB-CB 4.45Å; H455-E458 IonicContact CE1-OE2 3.38Å; H455-E458 PolarHBondContact CE1-OE2 3.45Å; H455-E458 VanDerWaalsContact CE1-OE2 3.26Å; H455-E458 IonicContact ND1-OE2 2.71Å; H455-E458 PolarHBondContact ND1-OE2 2.91Å
459L28.4Very low29.3Very low131 Ų131104.6 Ų104.669%0.68661%0.607SS**  trans-16427.1145.2-108.5176000113.8G461 A462L459-G461 PolarHBondContact O-N 2.89Å; L459-A462 HydrophobicContact CD2-CB 3.81Å
460T27.6Very low29Very low150 Ų150109.2 Ų109.292%0.9263%0.627SS**THydrogen-bonded Turntrans-71.488162.514.30000109.6
461G27.5Very low28.8Very low77 Ų77113.6 Ų113.679%0.79465%0.648SS**THydrogen-bonded Turntrans161.9-15166.500000120.1L459L459-G461 PolarHBondContact O-N 2.89Å
462A27.8Very low28.8Very low65 Ų65112.2 Ų112.254%0.53764%0.644SS.*SBendtrans-105.6-5.5-161.600000117.9L459L459-A462 HydrophobicContact CD2-CB 3.81Å
463F28.5Very low28.4Very low205 Ų205113 Ų11390%0.89966%0.657SS**  trans-12745.3178.7-72.3-74.6000113.4
464G26.4Very low28.1Very low73 Ų73114.1 Ų114.175%0.75368%0.676SS**  trans-97.876.6166.100000111.7
465K30.4Very low28Very low206 Ų206120.1 Ų120.190%0.89670%0.702SS**  trans-161.796.1163.6-109.1164.7-169-178.40110.6
466S28.6Very low27.7Very low110 Ų110120.7 Ų120.777%0.76972%0.715SS**  trans-65.3132168490000110.6
467A25.7Very low27.1Very low99 Ų99126.4 Ų126.482%0.81875%0.746SS**  trans-79.8138.1165.900000110.5
468F26.4Very low26.9Very low208 Ų208130.9 Ų130.991%0.91276%0.764SS**  trans-136133.7161.6-101.4-79.5000106.7
469G27Very low26.8Very low66 Ų66130.7 Ų130.768%0.6877%0.774SS**  trans128.971.9171.700000116.6
470I28.1Very low26.6Very low146 Ų146132.5 Ų132.575%0.74978%0.783SS**  56.4115.5118.5-64.1169.3000118.6
471E24.6Very low26.6Very low171 Ų171132.1 Ų132.180%0.79978%0.781SS**  trans54.5144.5138.2-59.7170.3-174.700119.7
472T27Very low26.6Very low111 Ų111137 Ų13768%0.68178%0.783SS**  cis-162.6155.1-113.10000109.1
473D25.3Very low26.7Very low143 Ų143140.6 Ų140.677%0.76579%0.793SS**  trans59.4133.6148.6-63.5-13.8000125.1
474S28Very low26.6Very low109 Ų109137.8 Ų137.876%0.76279%0.787SS**  trans9297.5140.972.70000121.1
475M25.8Very low26.7Very low176 Ų176140 Ų14087%0.86779%0.786SS**  trans53136131.7-60.8-148.482.200123.3
476S26.8Very low26.4Very low94 Ų94139.5 Ų139.566%0.65778%0.784SS**  trans89.6103.2141.172.50000119.7
477N24.1Very low26.4Very low150 Ų150140.8 Ų140.880%0.80279%0.787SS**  67.4144.4125.3-65-11.4000122
478L25.1Very low26.3Very low157 Ų157141 Ų14182%0.82278%0.783SS**  trans94.5110.9149.8-75.3148.5000120.2
479S23.4Very low26.4Very low97 Ų97141.5 Ų141.568%0.67878%0.78SS**  trans67.7107133.659.50000120.6
480L24.6Very low26.2Very low169 Ų169143.3 Ų143.389%0.88578%0.782SS**  trans-6.8130.1131.8-63.3163.7000116.5
481T28.1Very low26.2Very low143 Ų143143.4 Ų143.488%0.87778%0.783SS**  trans-149.9147.9134.1280000110.7
482E27.3Very low26.3Very low178 Ų178141.8 Ų141.883%0.83278%0.779SS**  trans-78.4164-177.6-56.1160.3115.300112.8
483N29.4Very low26.3Very low141 Ų141142.3 Ų142.375%0.75478%0.782SS**  trans178123133.9-88.2-45.3000107.9
484L27Very low26.5Very low147 Ų147142.9 Ų142.977%0.7779%0.785SS**  54.5123.982.7-70.4170.3000111.4
485T27.2Very low26.6Very low119 Ų119142.5 Ų142.573%0.7378%0.783SS**  cis-159.116033.648.30000114.7
486K24.8Very low27Very low196 Ų196141.1 Ų141.185%0.85277%0.774SS**  trans-7.1136.6148.7-62.6168.7176.1172.70118.5
487T28.9Very low27.1Very low136 Ų136143.5 Ų143.583%0.83477%0.773SS**  trans-154.6136.1131.39.60000111.8
488S22.6Very low27.4Very low104 Ų104143 Ų14373%0.72777%0.77SS**  trans-119.5125.7179.252.10000109.6
489Y29.2Very low27.7Very low219 Ų219140.5 Ų140.586%0.85976%0.762SS**  trans-144119.6165.8-84.5-74.9000111.9
490S24Very low28.1Very low104 Ų104143.9 Ų143.973%0.72777%0.766SS**  trans-90.8155152.450.80000109.1
491I28.2Very low28.3Very low148 Ų148141.8 Ų141.876%0.75976%0.756SS**  trans172.6129.6139.4-90.1154.2000110
492N24.8Very low28.6Very low136 Ų136141.4 Ų141.473%0.72775%0.754SS**  trans27.1124.4149.5-58.5-7.1000120.4
493V27.5Very low28.6Very low122 Ų122136.7 Ų136.774%0.73975%0.753SS**  57.4103.983-177.60000112.5
494D30.8Very low28.7Very low155 Ų155135.8 Ų135.883%0.82976%0.758SS**  -165.6172.6112.5-116.5-41.9000113.9
495S29.9Very low28.7Very low102 Ų102139 Ų13971%0.71377%0.765SS**  trans-99156.2-167.3-54.40000114.5
496E32.4Very low28.9Very low147 Ų147139.4 Ų139.469%0.68777%0.768SS**  160.5128.1114.2-77.9-142.7143.500115.9
497K30.9Very low29.2Very low144 Ų144135 Ų13563%0.62676%0.761SS**  trans59.9124.6136.4-63.8173.8-171.2147.30123.5
498N29.2Very low29.1Very low140 Ų140135.6 Ų135.675%0.74976%0.76SS**  trans70.6143.3133.2-66.2-3.7000119.1
499T30.8Very low29.4Very low104 Ų104140.5 Ų140.564%0.63877%0.768SS**  cis-166.2146.9-310.30000109.5
500Q32.6Very low29.5Very low167 Ų167134.9 Ų134.978%0.7876%0.761SS**  trans61.5148.2151.6-65.7179900117.7
501N29.7Very low29.8Very low126 Ų126141.7 Ų141.767%0.67477%0.771SS**  cis-160.3175.81.4-125.8-20.7000111.6
502T32.6Very low29.9Very low134 Ų134140.4 Ų140.482%0.82277%0.772SS**  trans6696.6161.557.80000121.1
503G27.7Very low30.2Very low79 Ų79143 Ų14381%0.81478%0.777SS**  82.591.8103.800000121.3
504S31.7Very low30.4Very low123 Ų123142.4 Ų142.486%0.8678%0.778SS**  -171.2161.9124.451.20000111.1
505K27.7Very low30.3Very low213 Ų213142.5 Ų142.593%0.92678%0.778SS**  trans-87122.4-163.4-64.3168.1178.9172.40112.3
506V30.4Very low30.4Very low129 Ų129143.3 Ų143.378%0.78278%0.781SS**  trans-124.7132.1160.7-178.40000108.6
507S31.4Very low30.3Very low102 Ų102146 Ų14671%0.71379%0.79SS**  trans-81.1115.4-174.749.90000112.1F509S507-F509 PolarHBondContact O-N 3.28Å
508N26.9Very low30.6Very low149 Ų149150.7 Ų150.780%0.79780%0.804SS**  trans-73.4113178.5-67.4-36000112.3
509F29.9Very low31.8Very low207 Ų207149.4 Ų149.491%0.90881%0.806SS**  trans-115.375.1162.9-96-78.2000110.5S507S507-F509 PolarHBondContact O-N 3.28Å
510S30.3Very low33.4Very low102 Ų102151 Ų15171%0.71381%0.807SS**  trans-162.274.9172.844.30000110.7
511R30.5Very low35.8Very low247 Ų247146.7 Ų146.793%0.93279%0.793SS**  trans-90118.1158.9-74.3-167.6-176.3-156.12.4108.2
512P29.3Very low38.7Very low121 Ų121142.7 Ų142.779%0.78677%0.771SS**  trans-69.3152.3172.430.5-33.9000110.1S514P512-S514 PolarHBondContact O-N 3.05Å; P512-S514 VanDerWaalsContact O-N 3.07Å
513F32.5Very low41.5Very low191 Ų191137.6 Ų137.684%0.83874%0.738SS**  trans-53.1112.4176-83.3-100.2000111.4L515F513-L515 PolarHBondContact O-N 3.39Å
514S31.2Very low44.5Very low108 Ų108137.3 Ų137.376%0.75572%0.716SS**PPolyproline II helixtrans-73.3118.1162.256.80000108.6P512P512-S514 PolarHBondContact O-N 3.05Å; P512-S514 VanDerWaalsContact O-N 3.07Å
515L29.1Very low47.1Very low158 Ų158133.6 Ų133.683%0.82769%0.686SS**PPolyproline II helixtrans-51.4130.4177.4-79.882.4000110.9F513 K517F513-L515 PolarHBondContact O-N 3.39Å; L515-K517 PolarHBondContact O-N 2.9Å
516P32Very low49.7Very low119 Ų119125.3 Ų125.377%0.77365%0.652SS**PPolyproline II helixtrans-60.9124.6173-23.634.3000111.1R518P516-R518 PolarHBondContact O-N 2.85Å
517K31.1Very low51Low204 Ų204122.4 Ų122.489%0.88764%0.637SS**SBendtrans-62121.8174.5-65.7171.8178.4175.20109.5L515L515-K517 PolarHBondContact O-N 2.9Å
518R36.2Very low52.1Low241 Ų241125.9 Ų125.991%0.90964%0.642SS**SBendtrans55.295.4172.7-166.3-179.7-169.3176.83.2113.3P516 Q520P516-R518 PolarHBondContact O-N 2.85Å; R518-Q520 PolarHBondContact O-N 2.99Å; R518-Q520 VanDerWaalsContact O-N 3.14Å
519S54.8Low52.8Low114 Ų114124.4 Ų124.480%0.79763%0.634SS**  trans-42.4117179.354.90000112.7
520Q64.9Low53.4Low138 Ų138121 Ų12165%0.64562%0.624SS**  trans-60.3148.5170.9-73.2177.9-32.100109.9R518R518-Q520 PolarHBondContact O-N 2.99Å; R518-Q520 VanDerWaalsContact O-N 3.14Å
521P82.2Confident53.7Low76 Ų76120.2 Ų120.249%0.49462%0.615SS.*  trans-62.6140174.928.9-35.1000109.9I523 Q524P521-I523 VanDerWaalsContact C-N 3.27Å; P521-I523 PolarHBondContact O-N 2.88Å; P521-Q524 HydrophobicContact CG-CB 4.37Å
522I90Very high53.7Low42 Ų42115.4 Ų115.422%0.21561%0.608CS.*SBendtrans-62.8-39.3179.3-64.8158.6000110.3Y180 D183 V439 S440 L442Y180-I522 HydrophobicContact CD1-CG2 3.81Å; Y180-I522 HydrophobicContact CE1-CG2 3.81Å; D183-I522 WeakPolarHBondContact OD2-CD1 3.36Å; V439-I522 CarbonylContact C-O 3.59Å; V439-I522 WeakPolarHBondContact CA-O 3.45Å; S440-I522 PolarHBondContact N-O 3.21Å; L442-I522 HydrophobicContact CD1-CD1 3.81Å; L442-I522 HydrophobicContact CD1-CG1 4.1Å; L442-I522 HydrophobicContact CD1-CG2 4.29Å; L442-I522 HydrophobicContact CD2-CG1 4.35Å
523I91.4Very high53.8Low26 Ų26117 Ų11713%0.13361%0.607CS.*EExtended strand (participates in β ladder)trans-109.2113.4173.3-55.4178.2000108.1D183 C186 L187 V437 P521 I525D183-I523 HydrophobicContact CB-CD1 3.98Å; D183-I523 HydrophobicContact CB-CG1 4.41Å; C186-I523 HydrophobicContact CB-CD1 3.52Å; L187-I523 HydrophobicContact CD2-CD1 3.86Å; L187-I523 HydrophobicContact CD2-CG1 4.07Å; L187-I523 HydrophobicContact CG-CD1 3.99Å; V437-I523 HydrophobicContact CG1-CG2 3.5Å; V437-I523 VanDerWaalsContact CG1-CG2 3.5Å; P521-I523 VanDerWaalsContact C-N 3.27Å; P521-I523 PolarHBondContact O-N 2.88Å; I523-I525 HydrophobicContact CG2-CG1 4.41Å
524Q90.4Very high53.8Low74 Ų74115.9 Ų115.935%0.34660%0.598SS.*EExtended strand (participates in β ladder)trans-106.1114.1173.9-176.5-177.7-60.300109.8V437 F438 P521V437-Q524 WeakPolarHBondContact CA-O 3.04Å; F438-Q524 HydrophobicContact CB-CB 4.38Å; F438-Q524 PolarHBondContact N-O 3.29Å; F438-Q524 PolarHBondContact O-N 3.45Å; P521-Q524 HydrophobicContact CG-CB 4.37Å
525I87.2Confident54Low44 Ų44117.1 Ų117.123%0.22660%0.604CS.*EExtended strand (participates in β ladder)trans-90.4124176-57169.4000108.7V437 I523 S527 L545 N546 L549V437-I525 HydrophobicContact CG2-CG1 4.3Å; I523-I525 HydrophobicContact CG2-CG1 4.41Å; I525-S527 VanDerWaalsContact C-N 3.33Å; I525-S527 PolarHBondContact O-N 2.98Å; I525-L545 HydrophobicContact CD1-CG 4.48Å; I525-L545 HydrophobicContact CG2-CB 4.32Å; I525-L545 HydrophobicContact CG2-CD2 4.12Å; I525-L545 HydrophobicContact CG2-CG 4.44Å; I525-N546 HydrophobicContact CD1-CB 3.85Å; I525-L549 HydrophobicContact CD1-CD1 3.88Å
526N81.2Confident54.6Low39 Ų39114.7 Ų114.721%0.20960%0.595CS.*  trans-74.887.3175.2-68.2-27.3000109.5T435 E436 F438T435-N526 PolarHBondContact O-ND2 3.11Å; T435-N526 PolarHBondContact OG1-ND2 2.86Å; E436-N526 PolarHBondContact O-N 2.69Å; F438-N526 WeakPolarHBondContact CE2-ND2 3.37Å; F438-N526 WeakPolarHBondContact CE2-OD1 3.44Å
527S59.7Low55.5Low68 Ų68112 Ų11248%0.47657%0.574SS.*  trans-95.585.3178.4-54.40000110.1I525I525-S527 VanDerWaalsContact C-N 3.33Å; I525-S527 PolarHBondContact O-N 2.98Å
528E52.4Low56.4Low175 Ų175105.5 Ų105.582%0.81856%0.555SS**  trans179.7140.2158.9-102.6149.5-149.700111.8
529N42.7Very low57.6Low119 Ų11997 Ų9764%0.63652%0.523SS*.  trans56.580.2165.6-61.8-11.9000119.2T531N529-T531 WeakPolarHBondContact OD1-CG2 3.07Å; N529-T531 PolarHBondContact OD1-OG1 3.08Å
530I43.4Very low58.1Low134 Ų13495.9 Ų95.969%0.68752%0.515SS*.  -109.377.9117.8-46.2173.2000107.2N537I530-N537 WeakPolarHBondContact CG2-ND2 3.23Å
531T35.5Very low58.5Low87 Ų8791 Ų9153%0.53449%0.492SS..  trans-81.8113.1178.820.60000110.5N529 M533N529-T531 WeakPolarHBondContact OD1-CG2 3.07Å; N529-T531 PolarHBondContact OD1-OG1 3.08Å; T531-M533 PolarHBondContact O-N 3.31Å; T531-M533 VanDerWaalsContact O-N 3.13Å
532D30.5Very low58.6Low146 Ų14691 Ų9178%0.78149%0.492SS*.SBendtrans41.156.3142.1-53.3-27.5000118.8
533M31.9Very low58.3Low154 Ų15490.1 Ų90.176%0.75949%0.489SS*.SBendtrans-131.1-10.2161.1-83.1-74.499.900115.2T531T531-M533 PolarHBondContact O-N 3.31Å; T531-M533 VanDerWaalsContact O-N 3.13Å
534Y32.8Very low58.1Low168 Ų16892.9 Ų92.966%0.65951%0.509SS*.  trans-142.2130.8179.8-63.8-76.6000112.2V536Y534-V536 VanDerWaalsContact C-N 3.26Å; Y534-V536 PolarHBondContact O-N 2.74Å
535P34.9Very low58.1Low134 Ų13490.3 Ų90.387%0.8750%0.497SS*.SBendtrans-73.8-4.2-173.5-18.132.1000116.2
536V41.5Very low58.1Low107 Ų10792.2 Ų92.265%0.64851%0.508SS*.  trans-123.859.5-165.2-163.90000111.7Y534 S538Y534-V536 VanDerWaalsContact C-N 3.26Å; Y534-V536 PolarHBondContact O-N 2.74Å; V536-S538 PolarHBondContact O-N 3.4Å; V536-S538 VanDerWaalsContact O-N 3.16Å
537N50.5Low58.5Low62 Ų6297.3 Ų97.333%0.33252%0.524SS..  trans-77.592.9165.6-98.3-34.3000109.7I530 R539 S540I530-N537 WeakPolarHBondContact CG2-ND2 3.23Å; N537-R539 PolarHBondContact O-N 3.44Å; N537-S540 WeakPolarHBondContact O-CB 3.32Å; N537-S540 PolarHBondContact O-N 2.89Å; N537-S540 PolarHBondContact O-OG 2.86Å; N537-S540 VanDerWaalsContact O-OG 3.05Å
538S49.9Very low60Low68 Ų6894.1 Ų94.148%0.47650%0.501SS..THydrogen-bonded Turntrans-59.8-4.1176.557.70000115.4V536V536-S538 PolarHBondContact O-N 3.4Å; V536-S538 VanDerWaalsContact O-N 3.16Å
539R61.5Low61.9Low62 Ų6286.5 Ų86.523%0.23447%0.466CS..THydrogen-bonded Turntrans-115.92.9176.2-72.3-177.2-76.6-100-11.8114.2R195 R417 N537 M541R195-R539 PolarHBondContact NH1-O 2.93Å; R417-R539 PolarHBondContact O-NH1 3.37Å; N537-R539 PolarHBondContact O-N 3.44Å; R539-M541 PolarHBondContact O-N 3.4Å
540S65Low64.2Low90 Ų9085.9 Ų85.963%0.62946%0.459SS*.  trans-60129177.462.30000110.1N537N537-S540 WeakPolarHBondContact O-CB 3.32Å; N537-S540 PolarHBondContact O-N 2.89Å; N537-S540 PolarHBondContact O-OG 2.86Å; N537-S540 VanDerWaalsContact O-OG 3.05Å
541M74.8Confident66.6Low37 Ų3780.7 Ų80.718%0.18243%0.433CS..  trans-94.8144.6175.7-60.3-164.595.700109.3L193 R195 R539 V543 L545 C660L193-M541 HydrophobicContact CB-CE 4.48Å; L193-M541 HydrophobicContact CD1-CE 4.19Å; L193-M541 HydrophobicContact CD2-CE 3.99Å; L193-M541 HydrophobicContact CG-CE 4.45Å; R195-M541 VanDerWaalsContact CZ-SD 3.55Å; R539-M541 PolarHBondContact O-N 3.4Å; M541-V543 WeakPolarHBondContact CB-O 3.44Å; M541-V543 PolarHBondContact O-N 3.16Å; M541-V543 VanDerWaalsContact O-N 3.14Å; M541-L545 HydrophobicContact SD-CB 4.23Å; M541-L545 HydrophobicContact SD-CD1 3.87Å; M541-C660 HydrophobicContact CE-CB 3.43Å; M541-C660 VanDerWaalsContact CE-CB 3.43Å; M541-C660 VanDerWaalsContact CE-SG 3.56Å
542P82.8Confident69.3Low76 Ų7677 Ų7749%0.49441%0.411SS..SBendtrans-65.1-15.917428.7-36.3000112.5T659 L663P542-T659 HydrophobicContact CB-CG2 4.34Å; P542-T659 HydrophobicContact CG-CG2 3.8Å; P542-L663 HydrophobicContact CG-CD1 3.76Å
543V84.9Confident72.1Confident22 Ų2279.5 Ų79.513%0.13341%0.409CS..SBendtrans-138.7137.7176.9-172.60000109M541 L545 R547 A656M541-V543 WeakPolarHBondContact CB-O 3.44Å; M541-V543 PolarHBondContact O-N 3.16Å; M541-V543 VanDerWaalsContact O-N 3.14Å; V543-L545 PolarHBondContact O-N 3.44Å; V543-R547 HydrophobicContact CG1-CB 3.84Å; V543-R547 HydrophobicContact CG1-CG 3.69Å; V543-A656 HydrophobicContact CB-CB 4.33Å; V543-A656 HydrophobicContact CG1-CB 3.94Å; V543-A656 HydrophobicContact CG2-CB 4.2Å
544P87.6Confident74.8Confident85 Ų8574.4 Ų74.455%0.55239%0.385SS*.  trans-50.3138.8174.9-31.537.8000113.6N546 R547 A548P544-N546 VanDerWaalsContact CB-OD1 3.28Å; P544-N546 WeakPolarHBondContact CB-OD1 3.41Å; P544-N546 PolarHBondContact O-N 3.04Å; P544-R547 WeakPolarHBondContact O-CA 3.28Å; P544-R547 PolarHBondContact O-N 3.22Å; P544-A548 PolarHBondContact O-N 3.02Å
545L88.8Confident77.7Confident19 Ų1966.4 Ų66.410%0.09935%0.353CS..Hα-helixtrans-57.7-35.7-172.9-177.560.6000112.8L190 L193 R195 V437 I525 M541 V543 R547 A548 L549L190-L545 HydrophobicContact CD1-CD1 4.15Å; L190-L545 HydrophobicContact CD1-CD2 4.13Å; L193-L545 HydrophobicContact CD1-CD1 3.69Å; R195-L545 HydrophobicContact CG-CD1 4.22Å; R195-L545 HydrophobicContact CG-CD2 4.19Å; V437-L545 HydrophobicContact CG2-CD2 3.55Å; I525-L545 HydrophobicContact CD1-CG 4.48Å; I525-L545 HydrophobicContact CG2-CB 4.32Å; I525-L545 HydrophobicContact CG2-CD2 4.12Å; I525-L545 HydrophobicContact CG2-CG 4.44Å; M541-L545 HydrophobicContact SD-CB 4.23Å; M541-L545 HydrophobicContact SD-CD1 3.87Å; V543-L545 PolarHBondContact O-N 3.44Å; L545-R547 VanDerWaalsContact C-N 3.28Å; L545-R547 PolarHBondContact O-N 2.87Å; L545-A548 PolarHBondContact O-N 2.98Å; L545-L549 HydrophobicContact CD1-CD1 4.02Å; L545-L549 HydrophobicContact CD1-CG 4.01Å; L545-L549 HydrophobicContact CG-CD1 3.95Å; L545-L549 HydrophobicContact CG-CG 4.36Å; L545-L549 WeakPolarHBondContact O-CG 3.25Å; L545-L549 PolarHBondContact O-N 3.42Å
546N88.8Confident80.5Confident85 Ų8565.8 Ų65.846%0.45533%0.334SS..Hα-helixtrans-61.5-32.3175.365.2-6.3000113.4I525 P544 Q550I525-N546 HydrophobicContact CD1-CB 3.85Å; P544-N546 VanDerWaalsContact CB-OD1 3.28Å; P544-N546 WeakPolarHBondContact CB-OD1 3.41Å; P544-N546 PolarHBondContact O-N 3.04Å; N546-Q550 WeakPolarHBondContact O-CG 3.27Å
547R89.7Confident82.9Confident146 Ų14664.2 Ų64.255%0.55132%0.321SS*.Hα-helixtrans-85.9-30.9176.5179.5174.5179.9-175.42.6111.9V543 P544 L545 Q550 A656V543-R547 HydrophobicContact CG1-CB 3.84Å; V543-R547 HydrophobicContact CG1-CG 3.69Å; P544-R547 WeakPolarHBondContact O-CA 3.28Å; P544-R547 PolarHBondContact O-N 3.22Å; L545-R547 VanDerWaalsContact C-N 3.28Å; L545-R547 PolarHBondContact O-N 2.87Å; R547-Q550 PolarHBondContact O-N 2.92Å; R547-A656 HydrophobicContact CG-CB 4.43Å
548A89.8Confident85Confident0 Ų061.6 Ų61.60%031%0.307CS..Hα-helixtrans-65.5-38.1171.100000112L193 P544 L545 Q550 Y657 C660L193-A548 HydrophobicContact CD1-CB 4.43Å; P544-A548 PolarHBondContact O-N 3.02Å; L545-A548 PolarHBondContact O-N 2.98Å; A548-Q550 VanDerWaalsContact C-N 3.3Å; A548-Q550 PolarHBondContact O-N 3.31Å; A548-Y657 WeakPolarHBondContact O-CB 3.2Å; A548-Y657 WeakPolarHBondContact O-CD2 3.18Å; A548-C660 HydrophobicContact CB-CB 4.36Å
549L92Very high87.2Confident16 Ų1658.3 Ų58.38%0.08428%0.284CS..THydrogen-bonded Turntrans-82.12.7178.7-64.9172.6000114.7K189 L190 L193 I525 L545 L551K189-L549 HydrophobicContact CB-CD2 4.23Å; L190-L549 HydrophobicContact CB-CD2 4.05Å; L190-L549 HydrophobicContact CD1-CD1 4.09Å; L190-L549 HydrophobicContact CD1-CD2 4.4Å; L193-L549 HydrophobicContact CD1-CD2 3.96Å; I525-L549 HydrophobicContact CD1-CD1 3.88Å; L545-L549 HydrophobicContact CD1-CD1 4.02Å; L545-L549 HydrophobicContact CD1-CG 4.01Å; L545-L549 HydrophobicContact CG-CD1 3.95Å; L545-L549 HydrophobicContact CG-CG 4.36Å; L545-L549 WeakPolarHBondContact O-CG 3.25Å; L545-L549 PolarHBondContact O-N 3.42Å; L549-L551 PolarHBondContact O-N 2.77Å; L549-L551 VanDerWaalsContact O-N 3.14Å
550Q92.2Very high88.8Confident105 Ų10558 Ų5849%0.49129%0.287SS..  trans-65.7115.1175.7-75.9177.8-4.700110.8N546 R547 A548 S552N546-Q550 WeakPolarHBondContact O-CG 3.27Å; R547-Q550 PolarHBondContact O-N 2.92Å; A548-Q550 VanDerWaalsContact C-N 3.3Å; A548-Q550 PolarHBondContact O-N 3.31Å; Q550-S552 PolarHBondContact O-N 3.38Å
551L92.9Very high90.2Very high26 Ų2654.2 Ų54.214%0.13626%0.259CS..  trans-66.1125.3178.6-59.7-172.6000111.6R182 L185 K189 L549 D555 R556R182-L551 HydrophobicContact CB-CD1 4.16Å; L185-L551 HydrophobicContact CD2-CD1 4.4Å; L185-L551 HydrophobicContact CD2-CD2 4.05Å; L185-L551 HydrophobicContact CG-CD2 4.16Å; K189-L551 HydrophobicContact CD-CD2 4.32Å; L549-L551 PolarHBondContact O-N 2.77Å; L549-L551 VanDerWaalsContact O-N 3.14Å; L551-D555 WeakPolarHBondContact CA-OD2 3.35Å; L551-D555 HydrophobicContact CB-CB 3.76Å; L551-D555 HydrophobicContact CD2-CB 4.09Å; L551-D555 HydrophobicContact CG-CB 4.38Å; L551-R556 HydrophobicContact CB-CG 4.06Å; L551-R556 PolarHBondContact O-NE 3.49Å; L551-R556 PolarHBondContact O-NH2 3.49Å
552S91.7Very high91.2Very high9 Ų952.5 Ų52.56%0.06325%0.251CS..  trans-60.6-179.7173.2890000112Q550 I554 D555 R556 D652Q550-S552 PolarHBondContact O-N 3.38Å; S552-I554 PolarHBondContact OG-N 3.23Å; S552-D555 WeakPolarHBondContact CB-OD2 3.42Å; S552-D555 PolarHBondContact N-OD2 2.74Å; S552-D555 VanDerWaalsContact OG-CG 3.29Å; S552-D555 PolarHBondContact OG-N 3.18Å; S552-D555 PolarHBondContact OG-OD2 3.36Å; S552-R556 PolarHBondContact O-N 3.11Å; S552-R556 PolarHBondContact O-NE 3.05Å; S552-D652 VanDerWaalsContact CB-O 3.29Å; S552-D652 WeakPolarHBondContact CB-O 3.26Å; S552-D652 PolarHBondContact OG-O 3.14Å
553R90.3Very high91.8Very high198 Ų19849.8 Ų49.875%0.74723%0.233SC*.Hα-helixtrans-65.5-40.8170-178.8176175.3169.8-1.5111.7L557R553-L557 HydrophobicContact CG-CD1 4.2Å; R553-L557 WeakPolarHBondContact O-CG 3.37Å; R553-L557 PolarHBondContact O-N 3.14Å
554I88.6Confident92.3Very high47 Ų4751.4 Ų51.424%0.24124%0.24CC..Hα-helixtrans-73.7-39.9-178.1-69.2170.4000110.6S552 R556 L557 F558 D652 F755S552-I554 PolarHBondContact OG-N 3.23Å; I554-R556 VanDerWaalsContact C-N 3.29Å; I554-R556 PolarHBondContact O-N 3.11Å; I554-L557 PolarHBondContact O-N 3.11Å; I554-F558 WeakPolarHBondContact O-CB 3.38Å; I554-F558 PolarHBondContact O-N 3.21Å; I554-D652 HydrophobicContact CD1-CB 3.62Å; I554-D652 VanDerWaalsContact CD1-CG 3.44Å; I554-F755 HydrophobicContact CG2-CD1 4.37Å; I554-F755 HydrophobicContact CG2-CE1 4.26Å
555D93.4Very high92.6Very high0 Ų048.2 Ų48.20%022%0.218CC..Hα-helixtrans-52.7-48.6171.9-68.7-24.7000111.5L185 K189 L551 S552 F558 I559 Y635L185-D555 HydrophobicContact CD2-CB 3.71Å; L185-D555 WeakPolarHBondContact CD2-O 3.4Å; K189-D555 IonicContact NZ-OD1 3.25Å; K189-D555 PolarHBondContact NZ-OD1 3.16Å; K189-D555 IonicContact NZ-OD2 3.71Å; K189-D555 PolarHBondContact NZ-OD2 2.75Å; L551-D555 WeakPolarHBondContact CA-OD2 3.35Å; L551-D555 HydrophobicContact CB-CB 3.76Å; L551-D555 HydrophobicContact CD2-CB 4.09Å; L551-D555 HydrophobicContact CG-CB 4.38Å; S552-D555 WeakPolarHBondContact CB-OD2 3.42Å; S552-D555 PolarHBondContact N-OD2 2.74Å; S552-D555 VanDerWaalsContact OG-CG 3.29Å; S552-D555 PolarHBondContact OG-N 3.18Å; S552-D555 PolarHBondContact OG-OD2 3.36Å; D555-F558 PolarHBondContact O-N 2.85Å; D555-I559 WeakPolarHBondContact O-CG2 3.32Å; D555-I559 PolarHBondContact O-N 2.85Å; D555-Y635 PolarHBondContact OD1-OH 3.2Å
556R94.2Very high92.8Very high122 Ų12247.3 Ų47.346%0.4621%0.214SC..Hα-helixtrans-63.9-46.7177.5-80.1178-82.3168.5-12.1112.3L551 S552 I554 F558 I559 D560L551-R556 HydrophobicContact CB-CG 4.06Å; L551-R556 PolarHBondContact O-NE 3.49Å; L551-R556 PolarHBondContact O-NH2 3.49Å; S552-R556 PolarHBondContact O-N 3.11Å; S552-R556 PolarHBondContact O-NE 3.05Å; I554-R556 VanDerWaalsContact C-N 3.29Å; I554-R556 PolarHBondContact O-N 3.11Å; R556-F558 VanDerWaalsContact C-N 3.31Å; R556-F558 PolarHBondContact O-N 2.75Å; R556-I559 PolarHBondContact O-N 2.86Å; R556-D560 WeakPolarHBondContact O-CB 3.35Å; R556-D560 PolarHBondContact O-N 3.5Å
557L91.8Very high93Very high74 Ų7446.7 Ų46.739%0.38721%0.211SC..Hα-helixtrans-60-40.7177.2-72.5170000112.3R553 I554 H561R553-L557 HydrophobicContact CG-CD1 4.2Å; R553-L557 WeakPolarHBondContact O-CG 3.37Å; R553-L557 PolarHBondContact O-N 3.14Å; I554-L557 PolarHBondContact O-N 3.11Å; L557-H561 VanDerWaalsContact O-CB 3.27Å; L557-H561 WeakPolarHBondContact O-CB 3.36Å; L557-H561 PolarHBondContact O-N 3.22Å; L557-H561 VanDerWaalsContact O-N 3.13Å
558F94.2Very high93.1Very high6 Ų641.6 Ų41.63%0.02620%0.195CC..Hα-helixtrans-61.5-57176.3171.1-98000111.5L185 I554 D555 R556 H561 L562 Q631 F632 Y635 L758L185-F558 HydrophobicContact CD1-CD1 4.36Å; L185-F558 HydrophobicContact CD1-CE1 4.26Å; L185-F558 HydrophobicContact CD2-CD1 4.2Å; I554-F558 WeakPolarHBondContact O-CB 3.38Å; I554-F558 PolarHBondContact O-N 3.21Å; D555-F558 PolarHBondContact O-N 2.85Å; R556-F558 VanDerWaalsContact C-N 3.31Å; R556-F558 PolarHBondContact O-N 2.75Å; F558-H561 PolarHBondContact O-N 3.18Å; F558-L562 HydrophobicContact CD1-CD1 4.33Å; F558-L562 HydrophobicContact CE1-CD1 3.69Å; F558-L562 HydrophobicContact CE2-CD1 4.33Å; F558-L562 HydrophobicContact CZ-CD1 3.7Å; F558-L562 PolarHBondContact O-N 3.18Å; F558-Q631 HydrophobicContact CE2-CB 3.97Å; F558-Q631 WeakPolarHBondContact CE2-O 3.02Å; F558-Q631 HydrophobicContact CZ-CB 4.2Å; F558-F632 HydrophobicContact CE1-CD1 4.35Å; F558-F632 HydrophobicContact CE1-CE1 4.11Å; F558-F632 HydrophobicContact CE1-CZ 4.21Å; F558-F632 HydrophobicContact CZ-CD1 4.44Å; F558-F632 HydrophobicContact CZ-CD2 4.47Å; F558-F632 HydrophobicContact CZ-CG 4.39Å; F558-Y635 HydrophobicContact CB-CD2 4.43Å; F558-Y635 AromaticContact CD1-CD2 3.73Å; F558-Y635 HydrophobicContact CD1-CD2 3.73Å; F558-Y635 HydrophobicContact CD1-CE2 4.11Å; F558-Y635 HydrophobicContact CD1-CG 4.4Å; F558-Y635 AromaticContact CD2-CD2 3.95Å; F558-Y635 HydrophobicContact CD2-CD2 3.95Å; F558-Y635 AromaticContact CE1-CD2 3.87Å; F558-Y635 HydrophobicContact CE1-CD2 3.87Å; F558-Y635 HydrophobicContact CE1-CG 4.08Å; F558-Y635 HydrophobicContact CE2-CD2 4.08Å; F558-Y635 HydrophobicContact CE2-CG 4.31Å; F558-Y635 AromaticContact CG-CD2 3.77Å; F558-Y635 HydrophobicContact CG-CD2 3.77Å; F558-Y635 HydrophobicContact CG-CE2 4.28Å; F558-Y635 HydrophobicContact CZ-CD2 4.04Å; F558-Y635 HydrophobicContact CZ-CG 4.02Å; F558-L758 HydrophobicContact CD2-CD2 4.18Å
559I95.8Very high93.2Very high0 Ų042 Ų420%020%0.197CC..Hα-helixtrans-71.1-35.5-174.9-165.555.5000112.3V177 K181 R182 A184 L185 D555 R556 H561 L562 V563 F632V177-I559 HydrophobicContact CG1-CD1 4.32Å; K181-I559 VanDerWaalsContact O-CG1 3.25Å; K181-I559 WeakPolarHBondContact O-CG1 3.41Å; R182-I559 HydrophobicContact CB-CG2 4.34Å; R182-I559 HydrophobicContact CG-CG2 3.93Å; A184-I559 HydrophobicContact CB-CD1 4.33Å; L185-I559 HydrophobicContact CB-CB 4.16Å; L185-I559 HydrophobicContact CB-CD1 4.3Å; L185-I559 HydrophobicContact CB-CG1 4.07Å; L185-I559 HydrophobicContact CD2-CB 4.2Å; L185-I559 HydrophobicContact CD2-CG2 4.42Å; D555-I559 WeakPolarHBondContact O-CG2 3.32Å; D555-I559 PolarHBondContact O-N 2.85Å; R556-I559 PolarHBondContact O-N 2.86Å; I559-H561 VanDerWaalsContact C-N 3.32Å; I559-H561 PolarHBondContact O-N 3.18Å; I559-L562 HydrophobicContact CD1-CB 4.43Å; I559-L562 HydrophobicContact CD1-CD1 4.11Å; I559-L562 PolarHBondContact O-N 3.14Å; I559-V563 HydrophobicContact CG1-CG2 4.43Å; I559-V563 WeakPolarHBondContact O-CB 3.41Å; I559-V563 VanDerWaalsContact O-CG2 3.29Å; I559-V563 WeakPolarHBondContact O-CG2 3.43Å; I559-V563 PolarHBondContact O-N 2.86Å; I559-F632 HydrophobicContact CD1-CZ 4.41Å
560D95.1Very high93.2Very high55 Ų5541.7 Ų41.729%0.29420%0.195SC..Hα-helixtrans-65.8-35.7176.7-68.5-12.3000111.2R182 R556 M564R182-D560 IonicContact CZ-OD1 3.53Å; R182-D560 IonicContact CZ-OD2 3.57Å; R182-D560 IonicContact NE-OD1 3.06Å; R182-D560 PolarHBondContact NE-OD1 3.35Å; R182-D560 IonicContact NE-OD2 3.61Å; R182-D560 VanDerWaalsContact NH2-CG 3.3Å; R182-D560 IonicContact NH2-OD1 2.98Å; R182-D560 PolarHBondContact NH2-OD1 2.81Å; R182-D560 VanDerWaalsContact NH2-OD1 3.13Å; R182-D560 IonicContact NH2-OD2 2.7Å; R182-D560 PolarHBondContact NH2-OD2 3.33Å; R556-D560 WeakPolarHBondContact O-CB 3.35Å; R556-D560 PolarHBondContact O-N 3.5Å; D560-M564 VanDerWaalsContact O-CB 3.26Å; D560-M564 WeakPolarHBondContact O-CB 3.44Å; D560-M564 PolarHBondContact O-N 3.25Å
561H94.5Very high93Very high11 Ų1138 Ų385%0.05119%0.185CC..Hα-helixtrans-65.6-40.7172.9171.7-90.9000112.4L557 F558 I559 T565 W627L557-H561 VanDerWaalsContact O-CB 3.27Å; L557-H561 WeakPolarHBondContact O-CB 3.36Å; L557-H561 PolarHBondContact O-N 3.22Å; L557-H561 VanDerWaalsContact O-N 3.13Å; F558-H561 PolarHBondContact O-N 3.18Å; I559-H561 VanDerWaalsContact C-N 3.32Å; I559-H561 PolarHBondContact O-N 3.18Å; H561-T565 WeakPolarHBondContact O-CB 3.31Å; H561-T565 PolarHBondContact O-N 3Å; H561-T565 PolarHBondContact O-OG1 3.41Å; H561-W627 AromaticContact CE1-CH2 3.73Å
562L95.6Very high92.8Very high1 Ų136.8 Ų36.81%0.00518%0.178CC..Hα-helixtrans-63.1-50.2174-64.1-179000111.2V177 F558 I559 M564 T565 V566 W627 I628 Q631 F632V177-L562 HydrophobicContact CG1-CB 4.03Å; F558-L562 HydrophobicContact CD1-CD1 4.33Å; F558-L562 HydrophobicContact CE1-CD1 3.69Å; F558-L562 HydrophobicContact CE2-CD1 4.33Å; F558-L562 HydrophobicContact CZ-CD1 3.7Å; F558-L562 PolarHBondContact O-N 3.18Å; I559-L562 HydrophobicContact CD1-CB 4.43Å; I559-L562 HydrophobicContact CD1-CD1 4.11Å; I559-L562 PolarHBondContact O-N 3.14Å; L562-M564 VanDerWaalsContact C-N 3.32Å; L562-M564 PolarHBondContact O-N 3.16Å; L562-T565 PolarHBondContact O-N 2.64Å; L562-V566 WeakPolarHBondContact O-CB 3.2Å; L562-V566 VanDerWaalsContact O-CG2 3.31Å; L562-V566 WeakPolarHBondContact O-CG2 3.3Å; L562-V566 PolarHBondContact O-N 2.96Å; L562-W627 HydrophobicContact CD2-CH2 3.69Å; L562-W627 HydrophobicContact CD2-CZ3 3.68Å; L562-I628 HydrophobicContact CD1-CG2 4.33Å; L562-Q631 HydrophobicContact CD2-CB 3.94Å; L562-Q631 HydrophobicContact CD2-CG 3.83Å; L562-F632 HydrophobicContact CD1-CD2 4.27Å; L562-F632 HydrophobicContact CD1-CE2 3.68Å; L562-F632 HydrophobicContact CD1-CZ 4.22Å
563V95.7Very high92.6Very high19 Ų1937 Ų3712%0.11518%0.179CC..Hα-helixtrans-59.2-42.3178.5171.80000111.4V177 K181 I559 N567V177-V563 HydrophobicContact CG1-CG2 3.67Å; K181-V563 HydrophobicContact CB-CG2 4.26Å; I559-V563 HydrophobicContact CG1-CG2 4.43Å; I559-V563 WeakPolarHBondContact O-CB 3.41Å; I559-V563 VanDerWaalsContact O-CG2 3.29Å; I559-V563 WeakPolarHBondContact O-CG2 3.43Å; I559-V563 PolarHBondContact O-N 2.86Å; V563-N567 WeakPolarHBondContact CG1-ND2 3.45Å; V563-N567 WeakPolarHBondContact O-CB 3.48Å; V563-N567 VanDerWaalsContact O-CG 3.28Å; V563-N567 PolarHBondContact O-N 2.67Å; V563-N567 PolarHBondContact O-ND2 3.06Å
564M94.8Very high92.4Very high56 Ų5630.2 Ų30.228%0.27616%0.157SC..Hα-helixtrans-62.3-50.1175.1-175.3179.471.200111.2D560 L562 V566 N567 T568 Q765 F769D560-M564 VanDerWaalsContact O-CB 3.26Å; D560-M564 WeakPolarHBondContact O-CB 3.44Å; D560-M564 PolarHBondContact O-N 3.25Å; L562-M564 VanDerWaalsContact C-N 3.32Å; L562-M564 PolarHBondContact O-N 3.16Å; M564-V566 VanDerWaalsContact C-N 3.33Å; M564-V566 PolarHBondContact O-N 3.45Å; M564-N567 PolarHBondContact O-N 3.31Å; M564-T568 WeakPolarHBondContact O-CB 3.25Å; M564-T568 PolarHBondContact O-N 3.07Å; M564-T568 PolarHBondContact O-OG1 3.2Å; M564-T568 VanDerWaalsContact O-OG1 3.05Å; M564-Q765 HydrophobicContact CE-CB 4.26Å; M564-Q765 VanDerWaalsContact CE-OE1 3.3Å; M564-F769 HydrophobicContact SD-CD2 4.46Å; M564-F769 HydrophobicContact SD-CE2 4.09Å
565T94.2Very high92.3Very high17 Ų1730.7 Ų30.710%0.10416%0.16CC..Hα-helixtrans-57.2-46.2179.8-58.20000111.6H561 L562 T568 W569 F618 L624 W627H561-T565 WeakPolarHBondContact O-CB 3.31Å; H561-T565 PolarHBondContact O-N 3Å; H561-T565 PolarHBondContact O-OG1 3.41Å; L562-T565 PolarHBondContact O-N 2.64Å; T565-T568 PolarHBondContact O-N 3.11Å; T565-W569 WeakPolarHBondContact O-CB 3.27Å; T565-W569 PolarHBondContact O-N 3.14Å; T565-F618 HydrophobicContact CG2-CE2 3.69Å; T565-F618 HydrophobicContact CG2-CZ 4.39Å; T565-L624 HydrophobicContact CG2-CD1 4.47Å; T565-W627 HydrophobicContact CG2-CH2 4.21Å; T565-W627 HydrophobicContact CG2-CZ3 3.87Å
566V93.7Very high91.9Very high0 Ų030.8 Ų30.80%016%0.16CC..Hα-helixtrans-63.6-48.3178.2168.80000111.6S174 V177 R178 L562 M564 T568 W569 Y570 L624 I628S174-V566 WeakPolarHBondContact O-CG1 3.31Å; V177-V566 HydrophobicContact CG1-CG2 4.39Å; R178-V566 HydrophobicContact CB-CG1 3.91Å; R178-V566 HydrophobicContact CG-CG1 4.46Å; L562-V566 WeakPolarHBondContact O-CB 3.2Å; L562-V566 VanDerWaalsContact O-CG2 3.31Å; L562-V566 WeakPolarHBondContact O-CG2 3.3Å; L562-V566 PolarHBondContact O-N 2.96Å; M564-V566 VanDerWaalsContact C-N 3.33Å; M564-V566 PolarHBondContact O-N 3.45Å; V566-T568 VanDerWaalsContact C-N 3.33Å; V566-T568 PolarHBondContact O-N 3.38Å; V566-W569 PolarHBondContact O-N 2.96Å; V566-W569 VanDerWaalsContact O-N 3.17Å; V566-Y570 HydrophobicContact CG1-CD2 3.63Å; V566-Y570 HydrophobicContact CG1-CE2 3.63Å; V566-Y570 WeakPolarHBondContact O-CD2 3.46Å; V566-Y570 PolarHBondContact O-N 3.16Å; V566-L624 HydrophobicContact CG2-CD2 4.41Å; V566-I628 HydrophobicContact CG2-CD1 3.67Å
567N93.2Very high91.4Very high73 Ų7325.7 Ų25.739%0.3914%0.143SC..Hα-helixtrans-63.4-38.7178.5-74.9-38.2000112.2V563 M564 G571V563-N567 WeakPolarHBondContact CG1-ND2 3.45Å; V563-N567 WeakPolarHBondContact O-CB 3.48Å; V563-N567 VanDerWaalsContact O-CG 3.28Å; V563-N567 PolarHBondContact O-N 2.67Å; V563-N567 PolarHBondContact O-ND2 3.06Å; M564-N567 PolarHBondContact O-N 3.31Å; N567-G571 PolarHBondContact O-N 3.31Å
568T91.4Very high90.9Very high38 Ų3827.5 Ų27.523%0.23315%0.149CC..Hα-helixtrans-62.2-42.3172.9-62.50000111.6M564 T565 V566 A572 I610 A614M564-T568 WeakPolarHBondContact O-CB 3.25Å; M564-T568 PolarHBondContact O-N 3.07Å; M564-T568 PolarHBondContact O-OG1 3.2Å; M564-T568 VanDerWaalsContact O-OG1 3.05Å; T565-T568 PolarHBondContact O-N 3.11Å; V566-T568 VanDerWaalsContact C-N 3.33Å; V566-T568 PolarHBondContact O-N 3.38Å; T568-A572 VanDerWaalsContact O-CB 3.3Å; T568-A572 WeakPolarHBondContact O-CB 3.35Å; T568-A572 PolarHBondContact O-N 3.28Å; T568-I610 HydrophobicContact CG2-CG2 3.57Å; T568-A614 HydrophobicContact CG2-CB 3.89Å
569W92.8Very high90.4Very high10 Ų1030.9 Ų30.94%0.03817%0.165CC..Hα-helixtrans-65.6-47.3178.3-176.786.9000112.5T565 V566 G571 A572 Q573 F618 Q621 L624T565-W569 WeakPolarHBondContact O-CB 3.27Å; T565-W569 PolarHBondContact O-N 3.14Å; V566-W569 PolarHBondContact O-N 2.96Å; V566-W569 VanDerWaalsContact O-N 3.17Å; W569-G571 PolarHBondContact O-N 3.47Å; W569-A572 WeakPolarHBondContact O-CB 3.39Å; W569-A572 PolarHBondContact O-N 3.47Å; W569-A572 VanDerWaalsContact O-N 3.17Å; W569-Q573 HydrophobicContact CD2-CG 3.97Å; W569-Q573 HydrophobicContact CE3-CG 4.07Å; W569-Q573 HydrophobicContact CH2-CG 3.69Å; W569-Q573 HydrophobicContact CZ2-CG 3.6Å; W569-Q573 VanDerWaalsContact CZ2-NE2 3.26Å; W569-Q573 HydrophobicContact CZ3-CG 3.94Å; W569-Q573 PolarHBondContact O-N 3.2Å; W569-F618 PolarHBondContact NE1-O 2.98Å; W569-Q621 HydrophobicContact CH2-CB 3.63Å; W569-Q621 HydrophobicContact CH2-CG 4.05Å; W569-Q621 HydrophobicContact CZ2-CB 4.19Å; W569-Q621 HydrophobicContact CZ3-CB 4.3Å; W569-Q621 HydrophobicContact CZ3-CG 4.22Å; W569-L624 HydrophobicContact CB-CD2 4.02Å; W569-L624 HydrophobicContact CD2-CD2 3.6Å; W569-L624 HydrophobicContact CE3-CD2 3.68Å; W569-L624 HydrophobicContact CG-CD2 3.76Å; W569-L624 HydrophobicContact CZ3-CD2 4.4Å
570Y90Very high89.8Confident9 Ų931 Ų314%0.03517%0.166CC..Hα-helixtrans-62.8-42176.2-82.3-71000112.3S174 R178 D447 V566 A572 Q573 I574S174-Y570 PolarHBondContact OG-OH 2.62Å; R178-Y570 VanDerWaalsContact NH1-CG 3.31Å; D447-Y570 WeakPolarHBondContact OD2-CD1 3.34Å; D447-Y570 WeakPolarHBondContact OD2-CE1 3.5Å; V566-Y570 HydrophobicContact CG1-CD2 3.63Å; V566-Y570 HydrophobicContact CG1-CE2 3.63Å; V566-Y570 WeakPolarHBondContact O-CD2 3.46Å; V566-Y570 PolarHBondContact O-N 3.16Å; Y570-A572 VanDerWaalsContact C-N 3.31Å; Y570-A572 PolarHBondContact O-N 3.45Å; Y570-Q573 PolarHBondContact O-N 3.15Å; Y570-I574 VanDerWaalsContact O-CG1 3.3Å; Y570-I574 WeakPolarHBondContact O-CG1 3.37Å; Y570-I574 PolarHBondContact O-N 2.81Å
571G89.4Confident89.1Confident27 Ų2729.7 Ų29.728%0.27816%0.161SC..Hα-helixtrans-61.7-38.5173.300000112.6N567 W569 D575N567-G571 PolarHBondContact O-N 3.31Å; W569-G571 PolarHBondContact O-N 3.47Å; G571-D575 PolarHBondContact O-N 2.83Å; G571-D575 VanDerWaalsContact O-N 3.12Å
572A89.1Confident88.5Confident0 Ų033 Ų330%019%0.19CC..Hα-helixtrans-66.5-40.8174.900000112.8T568 W569 Y570 Y576 Q611 L615T568-A572 VanDerWaalsContact O-CB 3.3Å; T568-A572 WeakPolarHBondContact O-CB 3.35Å; T568-A572 PolarHBondContact O-N 3.28Å; W569-A572 WeakPolarHBondContact O-CB 3.39Å; W569-A572 PolarHBondContact O-N 3.47Å; W569-A572 VanDerWaalsContact O-N 3.17Å; Y570-A572 VanDerWaalsContact C-N 3.31Å; Y570-A572 PolarHBondContact O-N 3.45Å; A572-Y576 WeakPolarHBondContact O-CB 3.39Å; A572-Y576 PolarHBondContact O-N 2.66Å; A572-Q611 HydrophobicContact CB-CB 3.52Å; A572-Q611 HydrophobicContact CB-CG 3.72Å; A572-L615 HydrophobicContact CB-CD1 4.04Å; A572-L615 HydrophobicContact CB-CD2 3.91Å; A572-L615 HydrophobicContact CB-CG 3.69Å
573Q86.9Confident87.7Confident15 Ų1537.4 Ų37.47%0.0721%0.209CC..Hα-helixtrans-64.3-44176.4-79-69.1-5.300112.1W569 Y570 Y576 C577 L615 P619W569-Q573 HydrophobicContact CD2-CG 3.97Å; W569-Q573 HydrophobicContact CE3-CG 4.07Å; W569-Q573 HydrophobicContact CH2-CG 3.69Å; W569-Q573 HydrophobicContact CZ2-CG 3.6Å; W569-Q573 VanDerWaalsContact CZ2-NE2 3.26Å; W569-Q573 HydrophobicContact CZ3-CG 3.94Å; W569-Q573 PolarHBondContact O-N 3.2Å; Y570-Q573 PolarHBondContact O-N 3.15Å; Q573-Y576 PolarHBondContact O-N 2.55Å; Q573-C577 WeakPolarHBondContact O-CB 3.27Å; Q573-C577 PolarHBondContact O-N 2.94Å; Q573-C577 PolarHBondContact O-SG 3.43Å; Q573-L615 HydrophobicContact CG-CD2 3.76Å; Q573-P619 PolarHBondContact NE2-O 3.37Å
574I85.2Confident86.8Confident55 Ų5542.6 Ų42.628%0.28223%0.23SC..Hα-helixtrans-60.2-52177.2-70.1165000110.1Y570 Y576 C577 Q578Y570-I574 VanDerWaalsContact O-CG1 3.3Å; Y570-I574 WeakPolarHBondContact O-CG1 3.37Å; Y570-I574 PolarHBondContact O-N 2.81Å; I574-Y576 PolarHBondContact O-N 3.3Å; I574-C577 PolarHBondContact O-N 3.43Å; I574-Q578 WeakPolarHBondContact O-CG 3.49Å; I574-Q578 PolarHBondContact O-N 2.93Å
575D86.3Confident85.6Confident57 Ų5743.4 Ų43.431%0.30525%0.253SS..Hα-helixtrans-65-38.7-179.2-69.911.1000111.7G571 Q578 Q579 L607 Q611G571-D575 PolarHBondContact O-N 2.83Å; G571-D575 VanDerWaalsContact O-N 3.12Å; D575-Q578 PolarHBondContact O-N 3.26Å; D575-Q579 VanDerWaalsContact O-CG 3.3Å; D575-Q579 WeakPolarHBondContact O-CG 3.49Å; D575-Q579 PolarHBondContact O-N 3.4Å; D575-L607 HydrophobicContact CB-CD2 3.73Å; D575-Q611 PolarHBondContact OD2-NE2 3.21Å
576Y86.4Confident84.6Confident2 Ų249.3 Ų49.31%0.00828%0.279CS..Hα-helixtrans-62.7-45.2174.8179.3-104.6000112.2A572 Q573 I574 Q578 Q579 L580 F593 L599 D600 T603 L607 L615A572-Y576 WeakPolarHBondContact O-CB 3.39Å; A572-Y576 PolarHBondContact O-N 2.66Å; Q573-Y576 PolarHBondContact O-N 2.55Å; I574-Y576 PolarHBondContact O-N 3.3Å; Y576-Q578 VanDerWaalsContact C-N 3.35Å; Y576-Q578 PolarHBondContact O-N 2.76Å; Y576-Q579 PolarHBondContact O-N 2.75Å; Y576-L580 WeakPolarHBondContact O-CB 3.4Å; Y576-L580 PolarHBondContact O-N 3.4Å; Y576-F593 HydrophobicContact CD1-CE2 4.43Å; Y576-F593 HydrophobicContact CD1-CZ 4.4Å; Y576-F593 AromaticContact CE1-CE1 3.96Å; Y576-F593 HydrophobicContact CE1-CE1 3.96Å; Y576-F593 HydrophobicContact CE1-CE2 4.08Å; Y576-F593 AromaticContact CE1-CZ 3.64Å; Y576-F593 HydrophobicContact CE1-CZ 3.64Å; Y576-L599 HydrophobicContact CE1-CD2 4.12Å; Y576-L599 HydrophobicContact CE2-CD2 3.99Å; Y576-D600 PolarHBondContact OH-N 2.92Å; Y576-T603 HydrophobicContact CD2-CG2 3.65Å; Y576-T603 HydrophobicContact CE2-CG2 3.7Å; Y576-L607 HydrophobicContact CD2-CD1 4.17Å; Y576-L615 HydrophobicContact CD2-CD1 4.34Å; Y576-L615 HydrophobicContact CG-CD1 4.12Å
577C82.2Confident83.4Confident14 Ų1456 Ų5610%0.09531%0.314CS..Hα-helixtrans-64.3-39.6176.7-67.90000111.5Q573 I574 S581Q573-C577 WeakPolarHBondContact O-CB 3.27Å; Q573-C577 PolarHBondContact O-N 2.94Å; Q573-C577 PolarHBondContact O-SG 3.43Å; I574-C577 PolarHBondContact O-N 3.43Å; C577-S581 WeakPolarHBondContact O-CB 3.39Å; C577-S581 PolarHBondContact O-N 2.82Å
578Q83.2Confident81.9Confident113 Ų11353.4 Ų53.453%0.52830%0.301SS..Hα-helixtrans-62.7-47.4174.9-73176.613.900112I574 D575 Y576 S581 A582I574-Q578 WeakPolarHBondContact O-CG 3.49Å; I574-Q578 PolarHBondContact O-N 2.93Å; D575-Q578 PolarHBondContact O-N 3.26Å; Y576-Q578 VanDerWaalsContact C-N 3.35Å; Y576-Q578 PolarHBondContact O-N 2.76Å; Q578-S581 PolarHBondContact O-N 2.83Å; Q578-A582 WeakPolarHBondContact O-CB 3.45Å; Q578-A582 PolarHBondContact O-N 3Å
579Q83.7Confident80.3Confident76 Ų7652.9 Ų52.936%0.35530%0.298SS..Hα-helixtrans-66.3-40.6178.4-66.6-67.53.100112D575 Y576 A582 K583 T603 Q606D575-Q579 VanDerWaalsContact O-CG 3.3Å; D575-Q579 WeakPolarHBondContact O-CG 3.49Å; D575-Q579 PolarHBondContact O-N 3.4Å; Y576-Q579 PolarHBondContact O-N 2.75Å; Q579-A582 PolarHBondContact O-N 3.34Å; Q579-K583 WeakPolarHBondContact O-CB 3.03Å; Q579-K583 PolarHBondContact O-N 3.36Å; Q579-T603 HydrophobicContact CB-CG2 3.6Å; Q579-Q606 HydrophobicContact CG-CB 4.47Å
580L82.3Confident78.5Confident4 Ų454.3 Ų54.32%0.02131%0.309CS..Hα-helixtrans-69.5-34.6176.5-161.670.3000112Y576 K583 K584 V588 F593 D600 T603Y576-L580 WeakPolarHBondContact O-CB 3.4Å; Y576-L580 PolarHBondContact O-N 3.4Å; L580-K583 HydrophobicContact CD1-CD 4.49Å; L580-K583 PolarHBondContact O-N 2.96Å; L580-K584 HydrophobicContact CD2-CD 4.39Å; L580-K584 HydrophobicContact CG-CD 4.15Å; L580-K584 HydrophobicContact CG-CG 4.33Å; L580-K584 WeakPolarHBondContact O-CB 3.41Å; L580-K584 WeakPolarHBondContact O-CG 3.34Å; L580-K584 PolarHBondContact O-N 3.47Å; L580-V588 HydrophobicContact CB-CG2 4.45Å; L580-V588 HydrophobicContact CD2-CG1 4.24Å; L580-V588 HydrophobicContact CD2-CG2 4.3Å; L580-V588 HydrophobicContact CG-CG2 4.31Å; L580-F593 HydrophobicContact CD2-CE1 4.33Å; L580-F593 HydrophobicContact CD2-CZ 3.63Å; L580-D600 HydrophobicContact CD1-CB 4.08Å; L580-T603 HydrophobicContact CB-CG2 4.14Å; L580-T603 HydrophobicContact CD1-CG2 4.34Å; L580-T603 WeakPolarHBondContact CD1-OG1 3.38Å
581S80.8Confident76.4Confident26 Ų2656.5 Ų56.518%0.18232%0.32CS..Hα-helixtrans-63.4-45.3172.5-178.80000111.4C577 Q578 K583 K584 G585 E586C577-S581 WeakPolarHBondContact O-CB 3.39Å; C577-S581 PolarHBondContact O-N 2.82Å; Q578-S581 PolarHBondContact O-N 2.83Å; S581-K583 VanDerWaalsContact C-N 3.29Å; S581-K583 PolarHBondContact O-N 3.39Å; S581-K584 PolarHBondContact O-N 2.87Å; S581-G585 PolarHBondContact O-N 3.19Å; S581-E586 WeakPolarHBondContact CA-O 3.03Å; S581-E586 VanDerWaalsContact CB-O 3.28Å; S581-E586 WeakPolarHBondContact CB-O 3.39Å; S581-E586 PolarHBondContact OG-O 2.98Å
582A81.3Confident74.2Confident80 Ų8059 Ų5966%0.66133%0.333SS*.Hα-helixtrans-61.3-35.6173.800000112.8Q578 Q579Q578-A582 WeakPolarHBondContact O-CB 3.45Å; Q578-A582 PolarHBondContact O-N 3Å; Q579-A582 PolarHBondContact O-N 3.34Å
583K79.3Confident72.2Confident94 Ų9460.4 Ų60.441%0.40934%0.339SS..Hα-helixtrans-73.5-38176.7-176.1175.7174.3-178.80113.4Q579 L580 S581 D600 E602Q579-K583 WeakPolarHBondContact O-CB 3.03Å; Q579-K583 PolarHBondContact O-N 3.36Å; L580-K583 HydrophobicContact CD1-CD 4.49Å; L580-K583 PolarHBondContact O-N 2.96Å; S581-K583 VanDerWaalsContact C-N 3.29Å; S581-K583 PolarHBondContact O-N 3.39Å; K583-D600 WeakPolarHBondContact CE-OD2 3.49Å; K583-D600 IonicContact NZ-OD1 2.85Å; K583-D600 PolarHBondContact NZ-OD1 2.9Å; K583-D600 IonicContact NZ-OD2 3.17Å; K583-D600 PolarHBondContact NZ-OD2 3.32Å; K583-E602 WeakPolarHBondContact CE-OE2 3.26Å; K583-E602 IonicContact NZ-OE2 2.7Å; K583-E602 PolarHBondContact NZ-OE2 3.32Å
584K76.2Confident70.2Confident129 Ų12966.3 Ų66.356%0.56137%0.366SS*.Hα-helixtrans-89.3-18.8-176.7-71.5-171.9176.3-1740114.5L580 S581 E586 V588L580-K584 HydrophobicContact CD2-CD 4.39Å; L580-K584 HydrophobicContact CG-CD 4.15Å; L580-K584 HydrophobicContact CG-CG 4.33Å; L580-K584 WeakPolarHBondContact O-CB 3.41Å; L580-K584 WeakPolarHBondContact O-CG 3.34Å; L580-K584 PolarHBondContact O-N 3.47Å; S581-K584 PolarHBondContact O-N 2.87Å; K584-E586 PolarHBondContact O-N 3.46Å; K584-V588 HydrophobicContact CD-CG2 4.06Å
585G70.3Confident68.1Low73 Ų7373.7 Ų73.775%0.75339%0.391SS*.SBendtrans76.2-6.8-17200000114.3S581S581-G585 PolarHBondContact O-N 3.19Å
586E73.3Confident66.3Low141 Ų14172 Ų7266%0.65938%0.382SS*.SBendtrans-105.5152.2178.3-64.2-178158.100111.1S581 K584 V588S581-E586 WeakPolarHBondContact CA-O 3.03Å; S581-E586 VanDerWaalsContact CB-O 3.28Å; S581-E586 WeakPolarHBondContact CB-O 3.39Å; S581-E586 PolarHBondContact OG-O 2.98Å; K584-E586 PolarHBondContact O-N 3.46Å; E586-V588 PolarHBondContact O-N 3.06Å
587L67.7Low64.5Low141 Ų14178.3 Ų78.374%0.73842%0.415SS*.  trans-72.193.3173.8-173.871.4000110.4T589L587-T589 HydrophobicContact CD2-CG2 4.28Å; L587-T589 HydrophobicContact CG-CG2 4.18Å; L587-T589 PolarHBondContact O-N 3.4Å
588V62.6Low63.4Low17 Ų1786 Ų8610%0.10345%0.45CS..  trans-75.6123.7171.8-176.40000108.9L580 K584 E586 F593L580-V588 HydrophobicContact CB-CG2 4.45Å; L580-V588 HydrophobicContact CD2-CG1 4.24Å; L580-V588 HydrophobicContact CD2-CG2 4.3Å; L580-V588 HydrophobicContact CG-CG2 4.31Å; K584-V588 HydrophobicContact CD-CG2 4.06Å; E586-V588 PolarHBondContact O-N 3.06Å; V588-F593 HydrophobicContact CG1-CE2 3.51Å; V588-F593 HydrophobicContact CG1-CZ 3.8Å
589T58.1Low62.8Low28 Ų2882.4 Ų82.417%0.17243%0.434CS..  trans-110.3158.6176.769.90000110.1C449 L587 H591 S592C449-T589 HydrophobicContact CB-CG2 4.39Å; L587-T589 HydrophobicContact CD2-CG2 4.28Å; L587-T589 HydrophobicContact CG-CG2 4.18Å; L587-T589 PolarHBondContact O-N 3.4Å; T589-H591 PolarHBondContact O-N 2.96Å; T589-S592 WeakPolarHBondContact O-CB 3.14Å; T589-S592 PolarHBondContact O-N 2.88Å; T589-S592 VanDerWaalsContact O-N 3.14Å; T589-S592 PolarHBondContact O-OG 3.04Å
590S54Low62.4Low39 Ų3980.9 Ų80.927%0.27343%0.428SS..G310 helixtrans-53.9-27.4-176.924.60000114.7S592 F593S590-S592 VanDerWaalsContact C-N 3.3Å; S590-S592 PolarHBondContact O-N 3.37Å; S590-F593 PolarHBondContact O-N 3.08Å
591H47Very low62.1Low56 Ų5683.8 Ų83.826%0.25945%0.453SS..G310 helixtrans-79.8-13.3-174.4-43.8-64.7000112.9C449 E450 T589 F593C449-H591 WeakPolarHBondContact CB-CD2 3.41Å; C449-H591 WeakPolarHBondContact CB-NE2 3.35Å; C449-H591 PolarHBondContact O-CE1 3.05Å; C449-H591 PolarHBondContact O-NE2 2.97Å; E450-H591 VanDerWaalsContact CB-CE1 3.43Å; E450-H591 WeakPolarHBondContact CB-CE1 3.34Å; E450-H591 VanDerWaalsContact CD-ND1 3.28Å; E450-H591 WeakPolarHBondContact CG-ND1 3.49Å; E450-H591 IonicContact OE1-CE1 2.71Å; E450-H591 PolarHBondContact OE1-CE1 3.02Å; E450-H591 VanDerWaalsContact OE1-CE1 3.27Å; E450-H591 IonicContact OE1-CG 2.63Å; E450-H591 IonicContact OE1-ND1 3.37Å; E450-H591 PolarHBondContact OE1-ND1 3.04Å; T589-H591 PolarHBondContact O-N 2.96Å; H591-F593 PolarHBondContact O-N 2.7Å; H591-F593 VanDerWaalsContact O-N 3.15Å
592S41.6Very low61.9Low80 Ų8088.4 Ų88.456%0.55947%0.471SS*.G310 helixtrans-62.9-11.8167.7-55.90000112.6T589 S590T589-S592 WeakPolarHBondContact O-CB 3.14Å; T589-S592 PolarHBondContact O-N 2.88Å; T589-S592 VanDerWaalsContact O-N 3.14Å; T589-S592 PolarHBondContact O-OG 3.04Å; S590-S592 VanDerWaalsContact C-N 3.3Å; S590-S592 PolarHBondContact O-N 3.37Å
593F48.2Very low61.8Low29 Ų2984.6 Ų84.613%0.12744%0.44CS..G310 helixtrans-112.327.6-169.9-64.6-66.5000115.6Y576 L580 V588 S590 H591 R595 L596Y576-F593 HydrophobicContact CD1-CE2 4.43Å; Y576-F593 HydrophobicContact CD1-CZ 4.4Å; Y576-F593 AromaticContact CE1-CE1 3.96Å; Y576-F593 HydrophobicContact CE1-CE1 3.96Å; Y576-F593 HydrophobicContact CE1-CE2 4.08Å; Y576-F593 AromaticContact CE1-CZ 3.64Å; Y576-F593 HydrophobicContact CE1-CZ 3.64Å; L580-F593 HydrophobicContact CD2-CE1 4.33Å; L580-F593 HydrophobicContact CD2-CZ 3.63Å; V588-F593 HydrophobicContact CG1-CE2 3.51Å; V588-F593 HydrophobicContact CG1-CZ 3.8Å; S590-F593 PolarHBondContact O-N 3.08Å; H591-F593 PolarHBondContact O-N 2.7Å; H591-F593 VanDerWaalsContact O-N 3.15Å; F593-R595 PolarHBondContact O-N 3.28Å; F593-R595 VanDerWaalsContact O-N 3.14Å; F593-L596 HydrophobicContact CB-CD1 3.74Å; F593-L596 HydrophobicContact CB-CG 3.97Å; F593-L596 HydrophobicContact CD1-CD1 4.13Å; F593-L596 HydrophobicContact CD1-CD2 4.11Å; F593-L596 HydrophobicContact CD1-CG 3.84Å; F593-L596 HydrophobicContact CG-CD1 4.09Å; F593-L596 HydrophobicContact CG-CG 4.24Å
594H43.5Very low61.9Low139 Ų13980.7 Ų80.764%0.64442%0.424SS*.SBendtrans-66.7-9.8172.6-125.2-66.1000114.1
595R42.1Very low62.1Low210 Ų21080.7 Ų80.779%0.79243%0.426SS*.  trans-127.8107.5158.9-80.9-170.9-177.8170.60.3109.8F593F593-R595 PolarHBondContact O-N 3.28Å; F593-R595 VanDerWaalsContact O-N 3.14Å
596L47.5Very low62.6Low22 Ų2282.5 Ų82.512%0.11542%0.415CS..  trans-102.252.1176.2-112.9167.6000111.5F593 Q598 L599 P619F593-L596 HydrophobicContact CB-CD1 3.74Å; F593-L596 HydrophobicContact CB-CG 3.97Å; F593-L596 HydrophobicContact CD1-CD1 4.13Å; F593-L596 HydrophobicContact CD1-CD2 4.11Å; F593-L596 HydrophobicContact CD1-CG 3.84Å; F593-L596 HydrophobicContact CG-CD1 4.09Å; F593-L596 HydrophobicContact CG-CG 4.24Å; L596-Q598 VanDerWaalsContact C-N 3.26Å; L596-Q598 PolarHBondContact O-N 2.93Å; L596-L599 HydrophobicContact CD1-CD2 4.48Å; L596-L599 HydrophobicContact CD2-CB 4.49Å; L596-L599 HydrophobicContact CD2-CD2 3.45Å; L596-L599 VanDerWaalsContact CD2-CD2 3.45Å; L596-L599 HydrophobicContact CD2-CG 3.67Å; L596-P619 HydrophobicContact CB-CB 3.97Å; L596-P619 WeakPolarHBondContact CD1-O 3.45Å
597D50Low63.2Low134 Ų13476.6 Ų76.672%0.71739%0.387SS*.SBendtrans-71.8-21.1175.9-66.6-38.3000112.3
598Q58.8Low64.2Low175 Ų17573.7 Ų73.782%0.81838%0.375SS*.  trans-142.5102.2177-62.9-175.40.700111.3L596L596-Q598 VanDerWaalsContact C-N 3.26Å; L596-Q598 PolarHBondContact O-N 2.93Å
599L69.5Low65.4Low37 Ų3779.3 Ų79.319%0.19440%0.404CS..  trans-68.1136.7160.3-75.7163.3000108.8Y576 L596 A601 L604 L615 L616Y576-L599 HydrophobicContact CE1-CD2 4.12Å; Y576-L599 HydrophobicContact CE2-CD2 3.99Å; L596-L599 HydrophobicContact CD1-CD2 4.48Å; L596-L599 HydrophobicContact CD2-CB 4.49Å; L596-L599 HydrophobicContact CD2-CD2 3.45Å; L596-L599 VanDerWaalsContact CD2-CD2 3.45Å; L596-L599 HydrophobicContact CD2-CG 3.67Å; L599-A601 PolarHBondContact O-N 2.94Å; L599-L604 HydrophobicContact CD1-CD1 4.19Å; L599-L604 HydrophobicContact CD1-CD2 4.31Å; L599-L615 HydrophobicContact CD1-CB 4.49Å; L599-L616 HydrophobicContact CD1-CD2 3.96Å
600D75.9Confident66.8Low45 Ų4581.8 Ų81.824%0.24142%0.416CS..  trans-68.6114.4171.2-174.5-16.3000108.9Y576 L580 K583 E602 T603 L604Y576-D600 PolarHBondContact OH-N 2.92Å; L580-D600 HydrophobicContact CD1-CB 4.08Å; K583-D600 WeakPolarHBondContact CE-OD2 3.49Å; K583-D600 IonicContact NZ-OD1 2.85Å; K583-D600 PolarHBondContact NZ-OD1 2.9Å; K583-D600 IonicContact NZ-OD2 3.17Å; K583-D600 PolarHBondContact NZ-OD2 3.32Å; D600-E602 VanDerWaalsContact C-N 3.25Å; D600-E602 PolarHBondContact O-N 2.94Å; D600-E602 PolarHBondContact OD1-N 2.87Å; D600-E602 VanDerWaalsContact OD1-N 3.09Å; D600-T603 PolarHBondContact O-N 3.13Å; D600-T603 PolarHBondContact OD2-OG1 3.44Å; D600-L604 VanDerWaalsContact O-CB 3.29Å; D600-L604 WeakPolarHBondContact O-CB 3.39Å; D600-L604 PolarHBondContact O-N 3.2Å
601A76.1Confident68.4Low65 Ų6581.2 Ų81.254%0.53741%0.409SS..Hα-helixtrans-60.1-35.7-175.100000112.4L599 L604 E605L599-A601 PolarHBondContact O-N 2.94Å; A601-L604 PolarHBondContact O-N 3.41Å; A601-E605 WeakPolarHBondContact O-CG 3.22Å; A601-E605 PolarHBondContact O-N 3.43Å; A601-E605 VanDerWaalsContact O-N 3.14Å
602E77Confident70.4Confident122 Ų12281 Ų8157%0.5741%0.407SS*.Hα-helixtrans-72-44.8-179.4-63.6178.3175.500111.1K583 D600 L604 E605K583-E602 WeakPolarHBondContact CE-OE2 3.26Å; K583-E602 IonicContact NZ-OE2 2.7Å; K583-E602 PolarHBondContact NZ-OE2 3.32Å; D600-E602 VanDerWaalsContact C-N 3.25Å; D600-E602 PolarHBondContact O-N 2.94Å; D600-E602 PolarHBondContact OD1-N 2.87Å; D600-E602 VanDerWaalsContact OD1-N 3.09Å; E602-L604 VanDerWaalsContact C-N 3.25Å; E602-L604 PolarHBondContact O-N 3.17Å; E602-E605 PolarHBondContact O-N 3.43Å; E602-E605 VanDerWaalsContact O-N 3.12Å
603T80.1Confident72.6Confident0 Ų081 Ų810%040%0.404CS..Hα-helixtrans-63.2-35.5174.7-51.70000111.1Y576 Q579 L580 D600 E605 Q606Y576-T603 HydrophobicContact CD2-CG2 3.65Å; Y576-T603 HydrophobicContact CE2-CG2 3.7Å; Q579-T603 HydrophobicContact CB-CG2 3.6Å; L580-T603 HydrophobicContact CB-CG2 4.14Å; L580-T603 HydrophobicContact CD1-CG2 4.34Å; L580-T603 WeakPolarHBondContact CD1-OG1 3.38Å; D600-T603 PolarHBondContact O-N 3.13Å; D600-T603 PolarHBondContact OD2-OG1 3.44Å; T603-E605 VanDerWaalsContact C-N 3.28Å; T603-E605 PolarHBondContact O-N 3.48Å; T603-Q606 PolarHBondContact O-N 3.17Å
604L80.3Confident74.5Confident12 Ų1280.2 Ų80.26%0.06340%0.402CS..Hα-helixtrans-70.2-20.7176.3-165.474.8000113L599 D600 A601 E602 L607 K612 L615 L616L599-L604 HydrophobicContact CD1-CD1 4.19Å; L599-L604 HydrophobicContact CD1-CD2 4.31Å; D600-L604 VanDerWaalsContact O-CB 3.29Å; D600-L604 WeakPolarHBondContact O-CB 3.39Å; D600-L604 PolarHBondContact O-N 3.2Å; A601-L604 PolarHBondContact O-N 3.41Å; E602-L604 VanDerWaalsContact C-N 3.25Å; E602-L604 PolarHBondContact O-N 3.17Å; L604-L607 HydrophobicContact CD1-CD1 4.21Å; L604-K612 HydrophobicContact CD1-CG 4.19Å; L604-K612 HydrophobicContact CD2-CD 4.48Å; L604-K612 HydrophobicContact CD2-CG 4.19Å; L604-K612 HydrophobicContact CG-CD 4.13Å; L604-K612 HydrophobicContact CG-CG 3.87Å; L604-K612 WeakPolarHBondContact O-CD 3.06Å; L604-K612 PolarHBondContact O-NZ 2.92Å; L604-L615 HydrophobicContact CD1-CB 4.43Å; L604-L615 HydrophobicContact CD1-CD1 4.28Å; L604-L616 HydrophobicContact CD2-CD1 4.16Å; L604-L616 HydrophobicContact CD2-CD2 3.82Å; L604-L616 HydrophobicContact CD2-CG 3.98Å
605E80.8Confident76.6Confident130 Ų13073.6 Ų73.661%0.60737%0.372SS*.Hα-helixtrans-78.4-19.7172.4-77.6-176.517900113.7A601 E602 T603A601-E605 WeakPolarHBondContact O-CG 3.22Å; A601-E605 PolarHBondContact O-N 3.43Å; A601-E605 VanDerWaalsContact O-N 3.14Å; E602-E605 PolarHBondContact O-N 3.43Å; E602-E605 VanDerWaalsContact O-N 3.12Å; T603-E605 VanDerWaalsContact C-N 3.28Å; T603-E605 PolarHBondContact O-N 3.48Å
606Q81.5Confident78.8Confident111 Ų11168.3 Ų68.352%0.51936%0.359SS..SBendtrans-82-13.3177.7-64.1173.3-23.900113.5Q579 T603Q579-Q606 HydrophobicContact CG-CB 4.47Å; T603-Q606 PolarHBondContact O-N 3.17Å
607L85Confident80.7Confident16 Ų1671.5 Ų71.58%0.08437%0.369CS..SBendtrans-84.1156.5178.8-62.2-179.9000112.6D575 Y576 L604 Q611 L615D575-L607 HydrophobicContact CB-CD2 3.73Å; Y576-L607 HydrophobicContact CD2-CD1 4.17Å; L604-L607 HydrophobicContact CD1-CD1 4.21Å; L607-Q611 HydrophobicContact CB-CB 4.18Å; L607-L615 HydrophobicContact CD1-CD1 3.5Å
608T88.7Confident82.6Confident80 Ų8065.5 Ų65.549%0.49134%0.337SS..  trans-62150.9171.268.10000111I610 Q611 K612T608-I610 PolarHBondContact O-N 2.91Å; T608-I610 VanDerWaalsContact O-N 3.08Å; T608-Q611 VanDerWaalsContact N-OE1 3.08Å; T608-Q611 PolarHBondContact O-N 2.92Å; T608-Q611 VanDerWaalsContact OG1-CG 3.27Å; T608-Q611 WeakPolarHBondContact OG1-CG 3.32Å; T608-Q611 PolarHBondContact OG1-N 2.96Å; T608-Q611 PolarHBondContact OG1-OE1 2.96Å; T608-K612 WeakPolarHBondContact O-CB 3.47Å; T608-K612 PolarHBondContact O-N 2.89Å
609L88.1Confident83.8Confident136 Ų13658.8 Ų58.871%0.71231%0.308SS*.Hα-helixtrans-53-35.4178.8179.462000112.8T613L609-T613 VanDerWaalsContact O-CB 3.3Å; L609-T613 WeakPolarHBondContact O-CB 3.46Å; L609-T613 PolarHBondContact O-N 3.44Å; L609-T613 PolarHBondContact O-OG1 3.33Å
610I87.4Confident84.4Confident80 Ų8057.8 Ų57.841%0.4131%0.305SS..Hα-helixtrans-68-47.3179.3-62.4175.8000110.4T568 T608 T613 A614 F769T568-I610 HydrophobicContact CG2-CG2 3.57Å; T608-I610 PolarHBondContact O-N 2.91Å; T608-I610 VanDerWaalsContact O-N 3.08Å; I610-T613 PolarHBondContact O-N 3.14Å; I610-A614 PolarHBondContact O-N 3.4Å; I610-F769 HydrophobicContact CD1-CZ 4.35Å
611Q88.5Confident85Confident26 Ų2657.7 Ų57.712%0.12130%0.303CS..Hα-helixtrans-64.6-47177.2-71.8164.4-41.400111.8A572 D575 L607 T608 T613 A614 L615A572-Q611 HydrophobicContact CB-CB 3.52Å; A572-Q611 HydrophobicContact CB-CG 3.72Å; D575-Q611 PolarHBondContact OD2-NE2 3.21Å; L607-Q611 HydrophobicContact CB-CB 4.18Å; T608-Q611 VanDerWaalsContact N-OE1 3.08Å; T608-Q611 PolarHBondContact O-N 2.92Å; T608-Q611 VanDerWaalsContact OG1-CG 3.27Å; T608-Q611 WeakPolarHBondContact OG1-CG 3.32Å; T608-Q611 PolarHBondContact OG1-N 2.96Å; T608-Q611 PolarHBondContact OG1-OE1 2.96Å; Q611-T613 VanDerWaalsContact C-N 3.29Å; Q611-T613 PolarHBondContact O-N 3.04Å; Q611-A614 WeakPolarHBondContact O-CB 3.09Å; Q611-A614 PolarHBondContact O-N 3.22Å; Q611-L615 PolarHBondContact O-N 2.94Å
612K87.3Confident85.5Confident52 Ų5258.7 Ų58.723%0.22630%0.302CS..Hα-helixtrans-53.5-45.6173.2176.7165.2-161.6151.30111.7L604 T608 L616L604-K612 HydrophobicContact CD1-CG 4.19Å; L604-K612 HydrophobicContact CD2-CD 4.48Å; L604-K612 HydrophobicContact CD2-CG 4.19Å; L604-K612 HydrophobicContact CG-CD 4.13Å; L604-K612 HydrophobicContact CG-CG 3.87Å; L604-K612 WeakPolarHBondContact O-CD 3.06Å; L604-K612 PolarHBondContact O-NZ 2.92Å; T608-K612 WeakPolarHBondContact O-CB 3.47Å; T608-K612 PolarHBondContact O-N 2.89Å; K612-L616 HydrophobicContact CG-CD1 3.85Å; K612-L616 WeakPolarHBondContact O-CB 3.49Å; K612-L616 VanDerWaalsContact O-CG 3.27Å; K612-L616 WeakPolarHBondContact O-CG 3.45Å; K612-L616 PolarHBondContact O-N 3.06Å
613T88.7Confident86.1Confident80 Ų8056.6 Ų56.649%0.49129%0.294SS..Hα-helixtrans-65.2-38.2176.6-56.20000112L609 I610 Q611 R617L609-T613 VanDerWaalsContact O-CB 3.3Å; L609-T613 WeakPolarHBondContact O-CB 3.46Å; L609-T613 PolarHBondContact O-N 3.44Å; L609-T613 PolarHBondContact O-OG1 3.33Å; I610-T613 PolarHBondContact O-N 3.14Å; Q611-T613 VanDerWaalsContact C-N 3.29Å; Q611-T613 PolarHBondContact O-N 3.04Å; T613-R617 WeakPolarHBondContact O-CB 3.4Å; T613-R617 PolarHBondContact O-N 2.88Å
614A88.1Confident86.6Confident12 Ų1256.6 Ų56.610%0.09929%0.294CS..Hα-helixtrans-66.8-44.3178.500000112.6T568 I610 Q611 R617 F618T568-A614 HydrophobicContact CG2-CB 3.89Å; I610-A614 PolarHBondContact O-N 3.4Å; Q611-A614 WeakPolarHBondContact O-CB 3.09Å; Q611-A614 PolarHBondContact O-N 3.22Å; A614-R617 PolarHBondContact O-N 2.98Å; A614-F618 PolarHBondContact O-N 3.23Å
615L87.3Confident87.2Confident1 Ų156.5 Ų56.51%0.00529%0.294CS..Hα-helixtrans-69.4-40.8177.6-64.7176.9000112.5A572 Q573 Y576 L599 L604 L607 Q611 R617 F618 P619A572-L615 HydrophobicContact CB-CD1 4.04Å; A572-L615 HydrophobicContact CB-CD2 3.91Å; A572-L615 HydrophobicContact CB-CG 3.69Å; Q573-L615 HydrophobicContact CG-CD2 3.76Å; Y576-L615 HydrophobicContact CD2-CD1 4.34Å; Y576-L615 HydrophobicContact CG-CD1 4.12Å; L599-L615 HydrophobicContact CD1-CB 4.49Å; L604-L615 HydrophobicContact CD1-CB 4.43Å; L604-L615 HydrophobicContact CD1-CD1 4.28Å; L607-L615 HydrophobicContact CD1-CD1 3.5Å; Q611-L615 PolarHBondContact O-N 2.94Å; L615-R617 VanDerWaalsContact C-N 3.28Å; L615-R617 PolarHBondContact O-N 3.07Å; L615-F618 CarbonylContact O-C 3.53Å; L615-F618 PolarHBondContact O-N 3.32Å; L615-P619 WeakPolarHBondContact O-CA 3.27Å
616L87.8Confident87.7Confident98 Ų9853.1 Ų53.151%0.51329%0.288SS..Hα-helixtrans-64.9-33.4175.2-74.7171.4000112.4L599 L604 K612L599-L616 HydrophobicContact CD1-CD2 3.96Å; L604-L616 HydrophobicContact CD2-CD1 4.16Å; L604-L616 HydrophobicContact CD2-CD2 3.82Å; L604-L616 HydrophobicContact CD2-CG 3.98Å; K612-L616 HydrophobicContact CG-CD1 3.85Å; K612-L616 WeakPolarHBondContact O-CB 3.49Å; K612-L616 VanDerWaalsContact O-CG 3.27Å; K612-L616 WeakPolarHBondContact O-CG 3.45Å; K612-L616 PolarHBondContact O-N 3.06Å
617R87.2Confident88.3Confident90 Ų9049.8 Ų49.834%0.3427%0.271SS..Hα-helixtrans-76.8-35.3177.2-176.6176.9176.2-172.9-4.8112.7T613 A614 L615T613-R617 WeakPolarHBondContact O-CB 3.4Å; T613-R617 PolarHBondContact O-N 2.88Å; A614-R617 PolarHBondContact O-N 2.98Å; L615-R617 VanDerWaalsContact C-N 3.28Å; L615-R617 PolarHBondContact O-N 3.07Å
618F89.9Confident88.8Confident7 Ų749 Ų493%0.03127%0.267CS..  trans-132.484.9-179.1-52.6-65000109.3T565 W569 A614 L615 I623 L624 W627T565-F618 HydrophobicContact CG2-CE2 3.69Å; T565-F618 HydrophobicContact CG2-CZ 4.39Å; W569-F618 PolarHBondContact NE1-O 2.98Å; A614-F618 PolarHBondContact O-N 3.23Å; L615-F618 CarbonylContact O-C 3.53Å; L615-F618 PolarHBondContact O-N 3.32Å; F618-I623 HydrophobicContact CD1-CG2 4.24Å; F618-L624 HydrophobicContact CB-CB 4.14Å; F618-L624 HydrophobicContact CD1-CB 4.44Å; F618-L624 HydrophobicContact CD1-CD1 4.32Å; F618-L624 HydrophobicContact CD2-CD1 3.88Å; F618-L624 HydrophobicContact CE1-CD1 4.45Å; F618-L624 HydrophobicContact CE2-CD1 4Å; F618-L624 HydrophobicContact CG-CB 4.27Å; F618-L624 HydrophobicContact CG-CD1 4.03Å; F618-L624 HydrophobicContact CZ-CD1 4.27Å; F618-W627 HydrophobicContact CD1-CB 4.37Å; F618-W627 HydrophobicContact CE1-CB 3.6Å; F618-W627 AromaticContact CE1-CD2 3.74Å; F618-W627 HydrophobicContact CE1-CD2 3.74Å; F618-W627 HydrophobicContact CE1-CE3 4.08Å; F618-W627 AromaticContact CE1-CG 3.5Å; F618-W627 HydrophobicContact CE1-CG 3.5Å; F618-W627 VanDerWaalsContact CE1-CG 3.5Å; F618-W627 HydrophobicContact CE2-CE3 4.45Å; F618-W627 HydrophobicContact CZ-CB 4.32Å; F618-W627 AromaticContact CZ-CD2 3.52Å; F618-W627 HydrophobicContact CZ-CD2 3.52Å; F618-W627 AromaticContact CZ-CE3 3.64Å; F618-W627 HydrophobicContact CZ-CE3 3.64Å; F618-W627 AromaticContact CZ-CG 3.81Å; F618-W627 HydrophobicContact CZ-CG 3.81Å; F618-W627 HydrophobicContact CZ-CZ3 4.23Å
619P84.1Confident89.2Confident34 Ų3446.5 Ų46.522%0.22125%0.248CC..SBendtrans-60.5-48.7-179-25.535000111.8Q573 L596 L615 I623Q573-P619 PolarHBondContact NE2-O 3.37Å; L596-P619 HydrophobicContact CB-CB 3.97Å; L596-P619 WeakPolarHBondContact CD1-O 3.45Å; L615-P619 WeakPolarHBondContact O-CA 3.27Å; P619-I623 HydrophobicContact CG-CD1 4.4Å
620S83.8Confident89.4Confident17 Ų1744.1 Ų44.112%0.11923%0.234CC..SBendtrans-108.6160.4178.167.80000113.1T622 I623 L624S620-T622 VanDerWaalsContact C-N 3.25Å; S620-T622 PolarHBondContact O-N 3.17Å; S620-T622 PolarHBondContact OG-OG1 2.89Å; S620-I623 PolarHBondContact O-N 3.41Å; S620-I623 WeakPolarHBondContact OG-CD1 3.32Å; S620-I623 VanDerWaalsContact OG-CG1 3.3Å; S620-I623 WeakPolarHBondContact OG-CG1 3.23Å; S620-I623 PolarHBondContact OG-N 3.17Å; S620-L624 PolarHBondContact O-N 3.35Å
621Q86.9Confident89.7Confident43 Ų4341.6 Ų41.620%0.20122%0.22CC..Hα-helixtrans-61-35.1170.6-165.6177.2-36.900111.9N172 S174 W569 I623 L624 D625N172-Q621 PolarHBondContact ND2-NE2 3.36Å; S174-Q621 WeakPolarHBondContact OG-CG 3.35Å; S174-Q621 PolarHBondContact OG-NE2 3.14Å; W569-Q621 HydrophobicContact CH2-CB 3.63Å; W569-Q621 HydrophobicContact CH2-CG 4.05Å; W569-Q621 HydrophobicContact CZ2-CB 4.19Å; W569-Q621 HydrophobicContact CZ3-CB 4.3Å; W569-Q621 HydrophobicContact CZ3-CG 4.22Å; Q621-I623 VanDerWaalsContact C-N 3.32Å; Q621-I623 PolarHBondContact O-N 3.13Å; Q621-L624 WeakPolarHBondContact O-CB 3.48Å; Q621-L624 PolarHBondContact O-N 2.96Å; Q621-D625 WeakPolarHBondContact O-CB 3.47Å; Q621-D625 PolarHBondContact O-N 2.97Å
622T87.3Confident90.1Very high85 Ų8540.4 Ų40.452%0.52121%0.214SC..Hα-helixtrans-61.6-38.7177.853.70000112.3S620 D625 A626S620-T622 VanDerWaalsContact C-N 3.25Å; S620-T622 PolarHBondContact O-N 3.17Å; S620-T622 PolarHBondContact OG-OG1 2.89Å; T622-D625 PolarHBondContact O-N 3Å; T622-A626 WeakPolarHBondContact O-CB 3.26Å; T622-A626 PolarHBondContact O-N 3.29Å
623I88.6Confident90.3Very high78 Ų7839 Ų3940%0.421%0.209SC..Hα-helixtrans-71.3-38.8175.9-63.3165.6000110.7F618 P619 S620 Q621 W627F618-I623 HydrophobicContact CD1-CG2 4.24Å; P619-I623 HydrophobicContact CG-CD1 4.4Å; S620-I623 PolarHBondContact O-N 3.41Å; S620-I623 WeakPolarHBondContact OG-CD1 3.32Å; S620-I623 VanDerWaalsContact OG-CG1 3.3Å; S620-I623 WeakPolarHBondContact OG-CG1 3.23Å; S620-I623 PolarHBondContact OG-N 3.17Å; Q621-I623 VanDerWaalsContact C-N 3.32Å; Q621-I623 PolarHBondContact O-N 3.13Å; I623-W627 WeakPolarHBondContact O-CB 3.45Å; I623-W627 PolarHBondContact O-N 2.73Å
624L91.6Very high90.3Very high0 Ų037.3 Ų37.30%020%0.197CC..Hα-helixtrans-60.5-46.9172.9176.761.4000111.3T565 V566 W569 F618 S620 Q621 W627 I628T565-L624 HydrophobicContact CG2-CD1 4.47Å; V566-L624 HydrophobicContact CG2-CD2 4.41Å; W569-L624 HydrophobicContact CB-CD2 4.02Å; W569-L624 HydrophobicContact CD2-CD2 3.6Å; W569-L624 HydrophobicContact CE3-CD2 3.68Å; W569-L624 HydrophobicContact CG-CD2 3.76Å; W569-L624 HydrophobicContact CZ3-CD2 4.4Å; F618-L624 HydrophobicContact CB-CB 4.14Å; F618-L624 HydrophobicContact CD1-CB 4.44Å; F618-L624 HydrophobicContact CD1-CD1 4.32Å; F618-L624 HydrophobicContact CD2-CD1 3.88Å; F618-L624 HydrophobicContact CE1-CD1 4.45Å; F618-L624 HydrophobicContact CE2-CD1 4Å; F618-L624 HydrophobicContact CG-CB 4.27Å; F618-L624 HydrophobicContact CG-CD1 4.03Å; F618-L624 HydrophobicContact CZ-CD1 4.27Å; S620-L624 PolarHBondContact O-N 3.35Å; Q621-L624 WeakPolarHBondContact O-CB 3.48Å; Q621-L624 PolarHBondContact O-N 2.96Å; L624-W627 HydrophobicContact CD1-CE3 4.2Å; L624-W627 WeakPolarHBondContact O-CB 3.4Å; L624-W627 PolarHBondContact O-N 3.26Å; L624-I628 HydrophobicContact CD1-CD1 4.27Å; L624-I628 HydrophobicContact CD1-CG1 4.46Å; L624-I628 HydrophobicContact CG-CD1 4.09Å; L624-I628 WeakPolarHBondContact O-CG1 3.4Å; L624-I628 PolarHBondContact O-N 2.84Å
625D93.2Very high90.5Very high11 Ų1136.8 Ų36.86%0.05919%0.192CC..Hα-helixtrans-66-44.2-179.1-751000111.9N172 V173 S174 Q621 T622 W627 I628 R629N172-D625 VanDerWaalsContact CA-OD2 3.26Å; N172-D625 WeakPolarHBondContact CA-OD2 3.02Å; V173-D625 HydrophobicContact CB-CB 4.1Å; V173-D625 HydrophobicContact CG2-CB 4.18Å; V173-D625 PolarHBondContact N-OD2 3.4Å; S174-D625 WeakPolarHBondContact CA-OD1 3.37Å; S174-D625 WeakPolarHBondContact CB-OD1 3.2Å; S174-D625 PolarHBondContact N-OD1 2.82Å; S174-D625 PolarHBondContact OG-OD1 2.67Å; Q621-D625 WeakPolarHBondContact O-CB 3.47Å; Q621-D625 PolarHBondContact O-N 2.97Å; T622-D625 PolarHBondContact O-N 3Å; D625-W627 VanDerWaalsContact C-N 3.3Å; D625-W627 PolarHBondContact O-N 3.42Å; D625-I628 PolarHBondContact O-N 3.12Å; D625-I628 VanDerWaalsContact O-N 3.14Å; D625-R629 WeakPolarHBondContact O-CG 3.37Å; D625-R629 PolarHBondContact O-N 3.08Å
626A90.3Very high90.7Very high59 Ų5936.7 Ų36.749%0.48819%0.192SC..Hα-helixtrans-58.4-41.8172.800000111.7T622 R629 Q630T622-A626 WeakPolarHBondContact O-CB 3.26Å; T622-A626 PolarHBondContact O-N 3.29Å; A626-R629 PolarHBondContact O-N 3.38Å; A626-Q630 PolarHBondContact O-N 2.75Å
627W94.4Very high90.7Very high40 Ų4033.1 Ų33.115%0.15217%0.171CC..Hα-helixtrans-63.8-40.9174.3176.377.4000112.3H561 L562 T565 F618 I623 L624 D625 Q630 Q631H561-W627 AromaticContact CE1-CH2 3.73Å; L562-W627 HydrophobicContact CD2-CH2 3.69Å; L562-W627 HydrophobicContact CD2-CZ3 3.68Å; T565-W627 HydrophobicContact CG2-CH2 4.21Å; T565-W627 HydrophobicContact CG2-CZ3 3.87Å; F618-W627 HydrophobicContact CD1-CB 4.37Å; F618-W627 HydrophobicContact CE1-CB 3.6Å; F618-W627 AromaticContact CE1-CD2 3.74Å; F618-W627 HydrophobicContact CE1-CD2 3.74Å; F618-W627 HydrophobicContact CE1-CE3 4.08Å; F618-W627 AromaticContact CE1-CG 3.5Å; F618-W627 HydrophobicContact CE1-CG 3.5Å; F618-W627 VanDerWaalsContact CE1-CG 3.5Å; F618-W627 HydrophobicContact CE2-CE3 4.45Å; F618-W627 HydrophobicContact CZ-CB 4.32Å; F618-W627 AromaticContact CZ-CD2 3.52Å; F618-W627 HydrophobicContact CZ-CD2 3.52Å; F618-W627 AromaticContact CZ-CE3 3.64Å; F618-W627 HydrophobicContact CZ-CE3 3.64Å; F618-W627 AromaticContact CZ-CG 3.81Å; F618-W627 HydrophobicContact CZ-CG 3.81Å; F618-W627 HydrophobicContact CZ-CZ3 4.23Å; I623-W627 WeakPolarHBondContact O-CB 3.45Å; I623-W627 PolarHBondContact O-N 2.73Å; L624-W627 HydrophobicContact CD1-CE3 4.2Å; L624-W627 WeakPolarHBondContact O-CB 3.4Å; L624-W627 PolarHBondContact O-N 3.26Å; D625-W627 VanDerWaalsContact C-N 3.3Å; D625-W627 PolarHBondContact O-N 3.42Å; W627-Q630 WeakPolarHBondContact O-CB 3.5Å; W627-Q630 PolarHBondContact O-N 3.1Å; W627-Q631 HydrophobicContact CD2-CG 4.04Å; W627-Q631 HydrophobicContact CE3-CG 4.33Å; W627-Q631 HydrophobicContact CH2-CG 3.86Å; W627-Q631 HydrophobicContact CZ2-CG 3.5Å; W627-Q631 HydrophobicContact CZ3-CG 4.25Å; W627-Q631 WeakPolarHBondContact O-CG 3.36Å; W627-Q631 PolarHBondContact O-N 3.4Å
628I96.3Very high90.7Very high0 Ų028.9 Ų28.90%016%0.156CC..Hα-helixtrans-63.3-45.4176-63.2162.5000110.7V173 V177 L562 V566 L624 D625 Q630 Q631 F632V173-I628 HydrophobicContact CG1-CB 3.96Å; V173-I628 HydrophobicContact CG1-CD1 4.4Å; V173-I628 HydrophobicContact CG1-CG2 3.49Å; V173-I628 VanDerWaalsContact CG1-CG2 3.49Å; V177-I628 HydrophobicContact CG2-CG2 4.15Å; L562-I628 HydrophobicContact CD1-CG2 4.33Å; V566-I628 HydrophobicContact CG2-CD1 3.67Å; L624-I628 HydrophobicContact CD1-CD1 4.27Å; L624-I628 HydrophobicContact CD1-CG1 4.46Å; L624-I628 HydrophobicContact CG-CD1 4.09Å; L624-I628 WeakPolarHBondContact O-CG1 3.4Å; L624-I628 PolarHBondContact O-N 2.84Å; D625-I628 PolarHBondContact O-N 3.12Å; D625-I628 VanDerWaalsContact O-N 3.14Å; I628-Q630 VanDerWaalsContact C-N 3.26Å; I628-Q630 PolarHBondContact O-N 3.34Å; I628-Q631 WeakPolarHBondContact O-CA 3.31Å; I628-Q631 WeakPolarHBondContact O-CB 3.36Å; I628-Q631 PolarHBondContact O-N 2.84Å; I628-F632 HydrophobicContact CG2-CD2 3.8Å; I628-F632 HydrophobicContact CG2-CE2 3.78Å; I628-F632 WeakPolarHBondContact O-CD2 3.25Å; I628-F632 PolarHBondContact O-N 3.2Å
629R95.9Very high90.7Very high27 Ų2728.6 Ų28.610%0.10216%0.155CC..Hα-helixtrans-55.1-43.4173.7-66.9-174.9-164.3-61.31.5111.3L171 V173 S216 D625 A626 Q631 F632 L633L171-R629 PolarHBondContact O-NH2 3.05Å; V173-R629 HydrophobicContact CG2-CG 4.17Å; S216-R629 PolarHBondContact O-NH1 3.47Å; S216-R629 PolarHBondContact OG-NH1 3.36Å; S216-R629 PolarHBondContact OG-NH2 2.85Å; D625-R629 WeakPolarHBondContact O-CG 3.37Å; D625-R629 PolarHBondContact O-N 3.08Å; A626-R629 PolarHBondContact O-N 3.38Å; R629-Q631 VanDerWaalsContact C-N 3.34Å; R629-Q631 PolarHBondContact O-N 3.1Å; R629-F632 PolarHBondContact O-N 3.48Å; R629-L633 PolarHBondContact O-N 3.26Å
630Q93.1Very high90.8Very high87 Ų8727 Ų2741%0.40714%0.144SC..Hα-helixtrans-62.9-36.4175.3-170.765.39.300112.8A626 W627 I628 L633 I634A626-Q630 PolarHBondContact O-N 2.75Å; W627-Q630 WeakPolarHBondContact O-CB 3.5Å; W627-Q630 PolarHBondContact O-N 3.1Å; I628-Q630 VanDerWaalsContact C-N 3.26Å; I628-Q630 PolarHBondContact O-N 3.34Å; Q630-L633 PolarHBondContact O-N 3.14Å; Q630-I634 HydrophobicContact CG-CD1 4.27Å; Q630-I634 WeakPolarHBondContact O-CD1 3.45Å; Q630-I634 VanDerWaalsContact O-CG1 3.31Å; Q630-I634 WeakPolarHBondContact O-CG1 3.48Å; Q630-I634 PolarHBondContact O-N 3.41Å
631Q94Very high90.8Very high27 Ų2726.2 Ų26.213%0.12614%0.139CC..Hα-helixtrans-66-39.3173.7-62.3-45.9-80.100111.9F558 L562 W627 I628 R629 I634 Y635F558-Q631 HydrophobicContact CE2-CB 3.97Å; F558-Q631 WeakPolarHBondContact CE2-O 3.02Å; F558-Q631 HydrophobicContact CZ-CB 4.2Å; L562-Q631 HydrophobicContact CD2-CB 3.94Å; L562-Q631 HydrophobicContact CD2-CG 3.83Å; W627-Q631 HydrophobicContact CD2-CG 4.04Å; W627-Q631 HydrophobicContact CE3-CG 4.33Å; W627-Q631 HydrophobicContact CH2-CG 3.86Å; W627-Q631 HydrophobicContact CZ2-CG 3.5Å; W627-Q631 HydrophobicContact CZ3-CG 4.25Å; W627-Q631 WeakPolarHBondContact O-CG 3.36Å; W627-Q631 PolarHBondContact O-N 3.4Å; I628-Q631 WeakPolarHBondContact O-CA 3.31Å; I628-Q631 WeakPolarHBondContact O-CB 3.36Å; I628-Q631 PolarHBondContact O-N 2.84Å; R629-Q631 VanDerWaalsContact C-N 3.34Å; R629-Q631 PolarHBondContact O-N 3.1Å; Q631-I634 PolarHBondContact O-N 3.49Å; Q631-Y635 WeakPolarHBondContact O-CB 3.19Å; Q631-Y635 PolarHBondContact O-N 3.28Å
632F96.2Very high90.8Very high0 Ų024.4 Ų24.40%013%0.131CC..Hα-helixtrans-67.8-35.9174.3-84.6-85.6000112.9V177 L185 F188 L217 F558 I559 L562 I628 R629 Y635 L636V177-F632 HydrophobicContact CG2-CE2 4.4Å; L185-F632 HydrophobicContact CD1-CE1 4.09Å; F188-F632 HydrophobicContact CB-CE1 4.08Å; F188-F632 HydrophobicContact CD1-CD1 4.22Å; F188-F632 HydrophobicContact CD1-CE1 4.43Å; F188-F632 AromaticContact CD2-CD1 3.56Å; F188-F632 HydrophobicContact CD2-CD1 3.56Å; F188-F632 AromaticContact CD2-CE1 3.93Å; F188-F632 HydrophobicContact CD2-CE1 3.93Å; F188-F632 HydrophobicContact CD2-CG 4.48Å; F188-F632 HydrophobicContact CE1-CD1 4.33Å; F188-F632 HydrophobicContact CE2-CB 4.26Å; F188-F632 AromaticContact CE2-CD1 3.68Å; F188-F632 HydrophobicContact CE2-CD1 3.68Å; F188-F632 HydrophobicContact CE2-CE1 4.49Å; F188-F632 HydrophobicContact CE2-CG 4.35Å; F188-F632 AromaticContact CG-CD1 3.85Å; F188-F632 HydrophobicContact CG-CD1 3.85Å; F188-F632 AromaticContact CG-CE1 3.9Å; F188-F632 HydrophobicContact CG-CE1 3.9Å; F188-F632 HydrophobicContact CZ-CD1 4.07Å; L217-F632 HydrophobicContact CB-CB 4.43Å; L217-F632 HydrophobicContact CB-CG 4.34Å; L217-F632 HydrophobicContact CD1-CD1 4.23Å; L217-F632 HydrophobicContact CD1-CD2 4.2Å; L217-F632 HydrophobicContact CD1-CE1 4.03Å; L217-F632 HydrophobicContact CD1-CE2 3.99Å; L217-F632 HydrophobicContact CD1-CG 4.31Å; L217-F632 HydrophobicContact CD1-CZ 3.9Å; L217-F632 HydrophobicContact CD2-CB 4.41Å; L217-F632 HydrophobicContact CD2-CD2 3.56Å; L217-F632 HydrophobicContact CD2-CE2 3.93Å; L217-F632 HydrophobicContact CD2-CG 4Å; L217-F632 HydrophobicContact CG-CD2 4.38Å; L217-F632 HydrophobicContact CG-CG 4.46Å; F558-F632 HydrophobicContact CE1-CD1 4.35Å; F558-F632 HydrophobicContact CE1-CE1 4.11Å; F558-F632 HydrophobicContact CE1-CZ 4.21Å; F558-F632 HydrophobicContact CZ-CD1 4.44Å; F558-F632 HydrophobicContact CZ-CD2 4.47Å; F558-F632 HydrophobicContact CZ-CG 4.39Å; I559-F632 HydrophobicContact CD1-CZ 4.41Å; L562-F632 HydrophobicContact CD1-CD2 4.27Å; L562-F632 HydrophobicContact CD1-CE2 3.68Å; L562-F632 HydrophobicContact CD1-CZ 4.22Å; I628-F632 HydrophobicContact CG2-CD2 3.8Å; I628-F632 HydrophobicContact CG2-CE2 3.78Å; I628-F632 WeakPolarHBondContact O-CD2 3.25Å; I628-F632 PolarHBondContact O-N 3.2Å; R629-F632 PolarHBondContact O-N 3.48Å; F632-Y635 PolarHBondContact O-N 3.45Å; F632-L636 WeakPolarHBondContact O-CB 3.43Å; F632-L636 PolarHBondContact O-N 2.9Å
633L92.2Very high90.7Very high23 Ų2320.4 Ų20.412%0.1211%0.106CC..Hα-helixtrans-60-48.7170.2167.962.8000111.7P219 F362 R629 Q630 Y635 L636 R637P219-L633 HydrophobicContact CB-CD1 4.17Å; P219-L633 HydrophobicContact CG-CB 4.26Å; P219-L633 HydrophobicContact CG-CD1 3.4Å; P219-L633 HydrophobicContact CG-CG 4.33Å; F362-L633 HydrophobicContact CD2-CD1 4.08Å; F362-L633 HydrophobicContact CE2-CD1 3.53Å; F362-L633 HydrophobicContact CZ-CD1 4.2Å; R629-L633 PolarHBondContact O-N 3.26Å; Q630-L633 PolarHBondContact O-N 3.14Å; L633-Y635 VanDerWaalsContact C-N 3.3Å; L633-Y635 PolarHBondContact O-N 3.45Å; L633-L636 PolarHBondContact O-N 3.36Å; L633-R637 HydrophobicContact CD1-CG 4.11Å; L633-R637 WeakPolarHBondContact O-CG 3.48Å; L633-R637 PolarHBondContact O-N 2.88Å
634I87.8Confident90.3Very high45 Ų4517.9 Ų17.923%0.2319%0.093CC..Hα-helixtrans-61.2-41.7177.8-68.5163.6000110.6Q630 Q631 R637 A638 F755Q630-I634 HydrophobicContact CG-CD1 4.27Å; Q630-I634 WeakPolarHBondContact O-CD1 3.45Å; Q630-I634 VanDerWaalsContact O-CG1 3.31Å; Q630-I634 WeakPolarHBondContact O-CG1 3.48Å; Q630-I634 PolarHBondContact O-N 3.41Å; Q631-I634 PolarHBondContact O-N 3.49Å; I634-R637 PolarHBondContact O-N 2.77Å; I634-A638 PolarHBondContact O-N 2.83Å; I634-F755 HydrophobicContact CG2-CD2 4.39Å; I634-F755 HydrophobicContact CG2-CE2 3.75Å; I634-F755 HydrophobicContact CG2-CZ 4.49Å
635Y92.3Very high89.5Confident0 Ų020.1 Ų20.10%012%0.116CC..Hα-helixtrans-61.1-45.2174.7-178.7-83.5000112.3L185 F188 K189 D555 F558 Q631 F632 L633 A638 L639 F653 F755L185-Y635 HydrophobicContact CD1-CD1 4.34Å; L185-Y635 HydrophobicContact CD1-CE1 3.83Å; L185-Y635 HydrophobicContact CD1-CE2 4.23Å; L185-Y635 HydrophobicContact CD2-CE2 4.42Å; F188-Y635 HydrophobicContact CE1-CD1 4.12Å; F188-Y635 HydrophobicContact CE1-CE1 4.38Å; K189-Y635 WeakPolarHBondContact CE-OH 3.3Å; K189-Y635 PolarHBondContact NZ-OH 3.43Å; D555-Y635 PolarHBondContact OD1-OH 3.2Å; F558-Y635 HydrophobicContact CB-CD2 4.43Å; F558-Y635 AromaticContact CD1-CD2 3.73Å; F558-Y635 HydrophobicContact CD1-CD2 3.73Å; F558-Y635 HydrophobicContact CD1-CE2 4.11Å; F558-Y635 HydrophobicContact CD1-CG 4.4Å; F558-Y635 AromaticContact CD2-CD2 3.95Å; F558-Y635 HydrophobicContact CD2-CD2 3.95Å; F558-Y635 AromaticContact CE1-CD2 3.87Å; F558-Y635 HydrophobicContact CE1-CD2 3.87Å; F558-Y635 HydrophobicContact CE1-CG 4.08Å; F558-Y635 HydrophobicContact CE2-CD2 4.08Å; F558-Y635 HydrophobicContact CE2-CG 4.31Å; F558-Y635 AromaticContact CG-CD2 3.77Å; F558-Y635 HydrophobicContact CG-CD2 3.77Å; F558-Y635 HydrophobicContact CG-CE2 4.28Å; F558-Y635 HydrophobicContact CZ-CD2 4.04Å; F558-Y635 HydrophobicContact CZ-CG 4.02Å; Q631-Y635 WeakPolarHBondContact O-CB 3.19Å; Q631-Y635 PolarHBondContact O-N 3.28Å; F632-Y635 PolarHBondContact O-N 3.45Å; L633-Y635 VanDerWaalsContact C-N 3.3Å; L633-Y635 PolarHBondContact O-N 3.45Å; Y635-A638 PolarHBondContact O-N 3.31Å; Y635-L639 HydrophobicContact CE1-CD2 4.35Å; Y635-L639 WeakPolarHBondContact O-CB 3.36Å; Y635-L639 PolarHBondContact O-N 3.15Å; Y635-F653 HydrophobicContact CD2-CE1 4.1Å; Y635-F653 HydrophobicContact CE1-CD1 4.49Å; Y635-F653 HydrophobicContact CE1-CE1 4.24Å; Y635-F653 HydrophobicContact CE2-CD1 4.11Å; Y635-F653 AromaticContact CE2-CE1 3.58Å; Y635-F653 HydrophobicContact CE2-CE1 3.58Å; Y635-F653 AromaticContact CZ-CD1 3.8Å; Y635-F653 AromaticContact CZ-CE1 3.63Å; Y635-F653 WeakPolarHBondContact OH-CD1 3.08Å; Y635-F755 HydrophobicContact CD2-CZ 4.42Å
636L92.1Very high88.1Confident0 Ų023.5 Ų23.50%013%0.129CC..Hα-helixtrans-63.9-43.4178.2-176.355.7000112F188 L192 Y218 P219 F362 L364 F632 L633 L639 L640F188-L636 HydrophobicContact CE1-CD1 4.46Å; F188-L636 HydrophobicContact CZ-CB 4.22Å; F188-L636 HydrophobicContact CZ-CD1 4.43Å; F188-L636 HydrophobicContact CZ-CD2 4.42Å; L192-L636 HydrophobicContact CD1-CD1 3.79Å; L192-L636 HydrophobicContact CD2-CD1 4.32Å; Y218-L636 HydrophobicContact CD1-CD2 4.17Å; P219-L636 HydrophobicContact CG-CD2 4.32Å; F362-L636 HydrophobicContact CD1-CD2 4.27Å; F362-L636 HydrophobicContact CE1-CD2 3.45Å; F362-L636 VanDerWaalsContact CE1-CD2 3.45Å; F362-L636 HydrophobicContact CE1-CG 3.9Å; F362-L636 HydrophobicContact CZ-CD2 3.88Å; F362-L636 HydrophobicContact CZ-CG 4.01Å; L364-L636 HydrophobicContact CD1-CD1 4.28Å; L364-L636 HydrophobicContact CD1-CD2 4.34Å; F632-L636 WeakPolarHBondContact O-CB 3.43Å; F632-L636 PolarHBondContact O-N 2.9Å; L633-L636 PolarHBondContact O-N 3.36Å; L636-L639 HydrophobicContact CD1-CD2 4.36Å; L636-L639 PolarHBondContact O-N 2.97Å; L636-L640 HydrophobicContact CD1-CD1 4.31Å; L636-L640 HydrophobicContact CD1-CG 4.25Å; L636-L640 HydrophobicContact CG-CD1 4.1Å; L636-L640 WeakPolarHBondContact O-CB 3.21Å; L636-L640 VanDerWaalsContact O-CG 3.26Å; L636-L640 WeakPolarHBondContact O-CG 3Å; L636-L640 PolarHBondContact O-N 3.44Å
637R87.5Confident86.6Confident22 Ų2222.9 Ų22.98%0.08312%0.117CC..Hα-helixtrans-59.8-46.7175.3-71-173.8169.2161.44.6111.7D358 W360 F362 L633 I634 L640 L641 I751D358-R637 IonicContact OD2-NH2 2.75Å; W360-R637 HydrophobicContact CD2-CG 3.83Å; W360-R637 VanDerWaalsContact CD2-NE 3.35Å; W360-R637 HydrophobicContact CE3-CB 4.05Å; W360-R637 HydrophobicContact CE3-CG 3.56Å; W360-R637 HydrophobicContact CH2-CB 3.87Å; W360-R637 HydrophobicContact CH2-CG 4.06Å; W360-R637 HydrophobicContact CZ2-CB 4.49Å; W360-R637 HydrophobicContact CZ2-CG 4.31Å; W360-R637 HydrophobicContact CZ3-CB 3.62Å; W360-R637 HydrophobicContact CZ3-CG 3.68Å; F362-R637 HydrophobicContact CE2-CG 4.04Å; F362-R637 HydrophobicContact CZ-CG 4.14Å; L633-R637 HydrophobicContact CD1-CG 4.11Å; L633-R637 WeakPolarHBondContact O-CG 3.48Å; L633-R637 PolarHBondContact O-N 2.88Å; I634-R637 PolarHBondContact O-N 2.77Å; R637-L640 PolarHBondContact O-N 2.79Å; R637-L641 VanDerWaalsContact O-CG 3.31Å; R637-L641 WeakPolarHBondContact O-CG 3.46Å; R637-L641 PolarHBondContact O-N 2.8Å; R637-I751 HydrophobicContact CB-CD1 3.88Å
638A86.6Confident84.6Confident2 Ų226.2 Ų26.22%0.01715%0.146CC..Hα-helixtrans-64.6-39.2176.700000113.3I634 Y635 S642 F653 I751 F755I634-A638 PolarHBondContact O-N 2.83Å; Y635-A638 PolarHBondContact O-N 3.31Å; A638-S642 VanDerWaalsContact O-CB 3.29Å; A638-S642 WeakPolarHBondContact O-CB 3.03Å; A638-S642 PolarHBondContact O-N 3.3Å; A638-S642 PolarHBondContact O-OG 2.85Å; A638-F653 HydrophobicContact CB-CE2 4.31Å; A638-F653 HydrophobicContact CB-CZ 3.74Å; A638-I751 HydrophobicContact CB-CG2 3.78Å; A638-F755 HydrophobicContact CB-CD2 3.99Å; A638-F755 HydrophobicContact CB-CE2 3.34Å; A638-F755 HydrophobicContact CB-CZ 3.88Å
639L89.7Confident82.9Confident0 Ų029.8 Ų29.80%017%0.166CC..Hα-helixtrans-61-49.5173.8173.165.4000110.7L192 Y635 L636 L641 S642 T643 F653 Y657 L658 F661L192-L639 HydrophobicContact CD1-CD2 3.76Å; Y635-L639 HydrophobicContact CE1-CD2 4.35Å; Y635-L639 WeakPolarHBondContact O-CB 3.36Å; Y635-L639 PolarHBondContact O-N 3.15Å; L636-L639 HydrophobicContact CD1-CD2 4.36Å; L636-L639 PolarHBondContact O-N 2.97Å; L639-L641 PolarHBondContact O-N 3.12Å; L639-S642 PolarHBondContact O-N 3.34Å; L639-T643 WeakPolarHBondContact O-CB 3.43Å; L639-T643 PolarHBondContact O-N 2.8Å; L639-T643 PolarHBondContact O-OG1 3.29Å; L639-F653 HydrophobicContact CB-CD1 4.13Å; L639-F653 HydrophobicContact CB-CE1 4.04Å; L639-F653 HydrophobicContact CD1-CB 3.87Å; L639-F653 HydrophobicContact CD1-CD1 3.76Å; L639-F653 HydrophobicContact CD1-CG 3.88Å; L639-Y657 HydrophobicContact CD1-CD1 4.06Å; L639-Y657 HydrophobicContact CD1-CE1 3.85Å; L639-Y657 HydrophobicContact CD2-CE1 3.97Å; L639-L658 HydrophobicContact CD1-CD2 3.71Å; L639-F661 HydrophobicContact CD2-CD1 4.48Å; L639-F661 HydrophobicContact CD2-CE1 4.18Å; L639-F661 HydrophobicContact CG-CD1 4.38Å; L639-F661 HydrophobicContact CG-CE1 4.15Å
640L87.9Confident81.2Confident0 Ų030.7 Ų30.70%018%0.179CC..Hα-helixtrans-59.2-47.9179.4-75.5170.1000112F362 L636 R637 T643 Q644 F661 F667 W670F362-L640 HydrophobicContact CE1-CD1 3.79Å; F362-L640 HydrophobicContact CZ-CD1 3.81Å; L636-L640 HydrophobicContact CD1-CD1 4.31Å; L636-L640 HydrophobicContact CD1-CG 4.25Å; L636-L640 HydrophobicContact CG-CD1 4.1Å; L636-L640 WeakPolarHBondContact O-CB 3.21Å; L636-L640 VanDerWaalsContact O-CG 3.26Å; L636-L640 WeakPolarHBondContact O-CG 3Å; L636-L640 PolarHBondContact O-N 3.44Å; R637-L640 PolarHBondContact O-N 2.79Å; L640-T643 WeakPolarHBondContact O-CB 3.49Å; L640-T643 PolarHBondContact O-N 2.69Å; L640-Q644 PolarHBondContact O-N 2.83Å; L640-F661 HydrophobicContact CD2-CE1 3.95Å; L640-F661 HydrophobicContact CD2-CZ 3.91Å; L640-F667 HydrophobicContact CD2-CD2 4.07Å; L640-F667 HydrophobicContact CD2-CE2 4.24Å; L640-W670 HydrophobicContact CB-CH2 3.62Å; L640-W670 HydrophobicContact CB-CZ2 3.9Å; L640-W670 HydrophobicContact CB-CZ3 4.09Å; L640-W670 HydrophobicContact CD1-CH2 4.49Å; L640-W670 HydrophobicContact CD1-CZ2 3.98Å; L640-W670 HydrophobicContact CD2-CD2 3.89Å; L640-W670 HydrophobicContact CD2-CE3 3.76Å; L640-W670 HydrophobicContact CD2-CH2 4.08Å; L640-W670 HydrophobicContact CD2-CZ2 4.21Å; L640-W670 HydrophobicContact CD2-CZ3 3.82Å; L640-W670 HydrophobicContact CG-CH2 4.27Å; L640-W670 HydrophobicContact CG-CZ2 4.26Å; L640-W670 HydrophobicContact CG-CZ3 4.49Å
641L83Confident80Confident1 Ų130.2 Ų30.21%0.00519%0.185CC..Hα-helixtrans-61-46.2176-70.3168.1000112.6W360 R637 L639 T643 Q644 G645 Y646 A743 W748 I751W360-L641 HydrophobicContact CH2-CD1 3.82Å; W360-L641 HydrophobicContact CH2-CD2 4.25Å; W360-L641 HydrophobicContact CH2-CG 4.06Å; W360-L641 HydrophobicContact CZ3-CD1 4.26Å; W360-L641 HydrophobicContact CZ3-CD2 4.34Å; W360-L641 HydrophobicContact CZ3-CG 4.06Å; R637-L641 VanDerWaalsContact O-CG 3.31Å; R637-L641 WeakPolarHBondContact O-CG 3.46Å; R637-L641 PolarHBondContact O-N 2.8Å; L639-L641 PolarHBondContact O-N 3.12Å; L641-T643 PolarHBondContact O-N 2.9Å; L641-Q644 PolarHBondContact O-N 3.42Å; L641-Q644 VanDerWaalsContact O-N 3.11Å; L641-G645 PolarHBondContact O-N 2.8Å; L641-G645 VanDerWaalsContact O-N 3.14Å; L641-Y646 PolarHBondContact O-N 3.31Å; L641-Y646 VanDerWaalsContact O-N 3.15Å; L641-A743 HydrophobicContact CD2-CB 3.77Å; L641-W748 HydrophobicContact CD1-CG 4.26Å; L641-I751 HydrophobicContact CD1-CD1 3.63Å
642S85.9Confident79.1Confident6 Ų630.4 Ų30.44%0.04219%0.187CC..Hα-helixtrans-63.8-32.1176.4-53.70000111.7A638 L639 G645 Y646 F653A638-S642 VanDerWaalsContact O-CB 3.29Å; A638-S642 WeakPolarHBondContact O-CB 3.03Å; A638-S642 PolarHBondContact O-N 3.3Å; A638-S642 PolarHBondContact O-OG 2.85Å; L639-S642 PolarHBondContact O-N 3.34Å; S642-G645 PolarHBondContact O-N 2.98Å; S642-Y646 WeakPolarHBondContact CA-O 3.36Å; S642-F653 WeakPolarHBondContact OG-CD2 3.37Å; S642-F653 VanDerWaalsContact OG-CE2 3.28Å; S642-F653 WeakPolarHBondContact OG-CE2 3.3Å
643T85.9Confident78.6Confident0 Ų030.8 Ų30.80%019%0.189CC..Hα-helixtrans-70.1-35174.7-49.80000111.2L639 L640 L641 G645 L658 F661 R662 F667L639-T643 WeakPolarHBondContact O-CB 3.43Å; L639-T643 PolarHBondContact O-N 2.8Å; L639-T643 PolarHBondContact O-OG1 3.29Å; L640-T643 WeakPolarHBondContact O-CB 3.49Å; L640-T643 PolarHBondContact O-N 2.69Å; L641-T643 PolarHBondContact O-N 2.9Å; T643-G645 VanDerWaalsContact C-N 3.27Å; T643-G645 PolarHBondContact O-N 2.84Å; T643-L658 VanDerWaalsContact OG1-CD2 3.27Å; T643-L658 WeakPolarHBondContact OG1-CD2 3.4Å; T643-F661 HydrophobicContact CG2-CD1 3.9Å; T643-F661 HydrophobicContact CG2-CE1 4.47Å; T643-R662 HydrophobicContact CG2-CG 3.45Å; T643-R662 VanDerWaalsContact CG2-CG 3.45Å; T643-R662 VanDerWaalsContact O-CZ 3.27Å; T643-R662 PolarHBondContact O-NE 3.38Å; T643-R662 PolarHBondContact O-NH2 2.06Å; T643-F667 HydrophobicContact CG2-CD2 4.01Å; T643-F667 HydrophobicContact CG2-CE1 3.97Å; T643-F667 HydrophobicContact CG2-CE2 3.37Å; T643-F667 HydrophobicContact CG2-CZ 3.35Å
644Q79.9Confident78.3Confident25 Ų2531.8 Ų31.812%0.11719%0.193CC..Hα-helixtrans-70.3-18.8171.2-69.7-164.9-9.200113.9L640 L641 Y646 F667 W670L640-Q644 PolarHBondContact O-N 2.83Å; L641-Q644 PolarHBondContact O-N 3.42Å; L641-Q644 VanDerWaalsContact O-N 3.11Å; Q644-Y646 HydrophobicContact CB-CD2 3.92Å; Q644-Y646 HydrophobicContact CB-CE2 4.16Å; Q644-F667 HydrophobicContact CG-CZ 4.41Å; Q644-W670 HydrophobicContact CG-CH2 3.91Å; Q644-W670 HydrophobicContact CG-CZ3 3.67Å
645G75.1Confident78.3Confident48 Ų4832.9 Ų32.950%0.49520%0.204SC..THydrogen-bonded Turntrans102.27.1179.600000114.8L641 S642 T643L641-G645 PolarHBondContact O-N 2.8Å; L641-G645 VanDerWaalsContact O-N 3.14Å; S642-G645 PolarHBondContact O-N 2.98Å; T643-G645 VanDerWaalsContact C-N 3.27Å; T643-G645 PolarHBondContact O-N 2.84Å
646Y63.5Low78.2Confident82 Ų8233.2 Ų33.232%0.32221%0.207SC..  trans-76.1125.9166.1-63.5-94.8000108.4L641 S642 Q644 W748L641-Y646 PolarHBondContact O-N 3.31Å; L641-Y646 VanDerWaalsContact O-N 3.15Å; S642-Y646 WeakPolarHBondContact CA-O 3.36Å; Q644-Y646 HydrophobicContact CB-CD2 3.92Å; Q644-Y646 HydrophobicContact CB-CE2 4.16Å; Y646-W748 PolarHBondContact O-NE1 2.87Å
647N59.3Low78.3Confident45 Ų4533.2 Ų33.224%0.24121%0.207CC..SBendtrans87.7125-160.1-174.615.7000114.2N649 D652 W748N647-N649 PolarHBondContact O-N 2.65Å; N647-N649 PolarHBondContact OD1-N 3.15Å; N647-N649 VanDerWaalsContact OD1-N 3.07Å; N647-D652 PolarHBondContact ND2-OD2 2.72Å; N647-W748 HydrophobicContact CB-CD2 4.44Å; N647-W748 HydrophobicContact CB-CH2 3.53Å; N647-W748 HydrophobicContact CB-CZ2 3.3Å; N647-W748 HydrophobicContact CB-CZ3 4.11Å; N647-W748 WeakPolarHBondContact ND2-CH2 3.32Å
648S53.2Low78.5Confident110 Ų11032.2 Ų32.277%0.76920%0.204SC*.SBendtrans-63.7-23.917752.60000113.3A650S648-A650 PolarHBondContact O-N 2.71Å
649N59Low78.6Confident76 Ų7635 Ų3541%0.40622%0.22SC..  trans-94.172.3-169.1-63.85.5000111.5N647 S651 D652N647-N649 PolarHBondContact O-N 2.65Å; N647-N649 PolarHBondContact OD1-N 3.15Å; N647-N649 VanDerWaalsContact OD1-N 3.07Å; N649-S651 PolarHBondContact O-N 3.16Å; N649-D652 WeakPolarHBondContact CB-OD1 3.12Å; N649-D652 WeakPolarHBondContact CB-OD2 3.24Å; N649-D652 VanDerWaalsContact O-CB 3.28Å; N649-D652 WeakPolarHBondContact O-CB 3.49Å; N649-D652 PolarHBondContact O-N 3.13Å
650A60.3Low78.7Confident46 Ų4635.1 Ų35.138%0.3822%0.221SC..THydrogen-bonded Turntrans-58.5-11171.400000113.9S648 D652 L658S648-A650 PolarHBondContact O-N 2.71Å; A650-D652 PolarHBondContact O-N 3.01Å; A650-L658 HydrophobicContact CB-CD1 4.39Å; A650-L658 WeakPolarHBondContact O-CD1 2.97Å
651S67.8Low78.9Confident77 Ų7735.1 Ų35.154%0.53822%0.221SC..THydrogen-bonded Turntrans-61.5-26.6167.148.60000114.3N649 F653 Q654N649-S651 PolarHBondContact O-N 3.16Å; S651-F653 VanDerWaalsContact C-N 3.34Å; S651-F653 PolarHBondContact O-N 2.93Å; S651-Q654 PolarHBondContact O-N 3.12Å
652D76.8Confident79.2Confident31 Ų3138.9 Ų38.917%0.16624%0.235CC..THydrogen-bonded Turntrans-65.6-34.9-163.7-73.3-1.8000112.9S552 I554 N647 N649 A650S552-D652 VanDerWaalsContact CB-O 3.29Å; S552-D652 WeakPolarHBondContact CB-O 3.26Å; S552-D652 PolarHBondContact OG-O 3.14Å; I554-D652 HydrophobicContact CD1-CB 3.62Å; I554-D652 VanDerWaalsContact CD1-CG 3.44Å; N647-D652 PolarHBondContact ND2-OD2 2.72Å; N649-D652 WeakPolarHBondContact CB-OD1 3.12Å; N649-D652 WeakPolarHBondContact CB-OD2 3.24Å; N649-D652 VanDerWaalsContact O-CB 3.28Å; N649-D652 WeakPolarHBondContact O-CB 3.49Å; N649-D652 PolarHBondContact O-N 3.13Å; A650-D652 PolarHBondContact O-N 3.01Å
653F84.2Confident79.3Confident8 Ų841.7 Ų41.74%0.03525%0.25CC..THydrogen-bonded Turntrans-111.815.5-179.4-70.4-86.8000114K189 Y635 A638 L639 S642 S651 L658K189-F653 PolarHBondContact NZ-O 3.37Å; Y635-F653 HydrophobicContact CD2-CE1 4.1Å; Y635-F653 HydrophobicContact CE1-CD1 4.49Å; Y635-F653 HydrophobicContact CE1-CE1 4.24Å; Y635-F653 HydrophobicContact CE2-CD1 4.11Å; Y635-F653 AromaticContact CE2-CE1 3.58Å; Y635-F653 HydrophobicContact CE2-CE1 3.58Å; Y635-F653 AromaticContact CZ-CD1 3.8Å; Y635-F653 AromaticContact CZ-CE1 3.63Å; Y635-F653 WeakPolarHBondContact OH-CD1 3.08Å; A638-F653 HydrophobicContact CB-CE2 4.31Å; A638-F653 HydrophobicContact CB-CZ 3.74Å; L639-F653 HydrophobicContact CB-CD1 4.13Å; L639-F653 HydrophobicContact CB-CE1 4.04Å; L639-F653 HydrophobicContact CD1-CB 3.87Å; L639-F653 HydrophobicContact CD1-CD1 3.76Å; L639-F653 HydrophobicContact CD1-CG 3.88Å; S642-F653 WeakPolarHBondContact OG-CD2 3.37Å; S642-F653 VanDerWaalsContact OG-CE2 3.28Å; S642-F653 WeakPolarHBondContact OG-CE2 3.3Å; S651-F653 VanDerWaalsContact C-N 3.34Å; S651-F653 PolarHBondContact O-N 2.93Å; F653-L658 HydrophobicContact CB-CD1 4.33Å; F653-L658 HydrophobicContact CB-CD2 3.89Å; F653-L658 HydrophobicContact CB-CG 4.18Å
654Q87.5Confident79.4Confident44 Ų4441.9 Ų41.921%0.20625%0.251CS..  trans66.7115.6-168.7178.972.1-3000112.7S651 A656 Y657 L658S651-Q654 PolarHBondContact O-N 3.12Å; Q654-A656 VanDerWaalsContact C-N 3.31Å; Q654-A656 HydrophobicContact CG-CB 4.2Å; Q654-A656 PolarHBondContact O-N 3.38Å; Q654-Y657 WeakPolarHBondContact O-CB 2.99Å; Q654-Y657 PolarHBondContact O-N 3.42Å; Q654-L658 PolarHBondContact O-N 3.3Å; Q654-L658 VanDerWaalsContact O-N 3.11Å
655S87.4Confident79.7Confident67 Ų6740.7 Ų40.747%0.46925%0.245SC..Hα-helixtrans-59.3-38.6-175.557.70000113.3Y657 L658 T659S655-Y657 VanDerWaalsContact C-N 3.31Å; S655-Y657 PolarHBondContact O-N 3.07Å; S655-L658 PolarHBondContact O-N 3.09Å; S655-T659 PolarHBondContact O-N 2.94Å; S655-T659 PolarHBondContact O-OG1 3.14Å; S655-T659 VanDerWaalsContact O-OG1 3.1Å
656A90.7Very high80.3Confident8 Ų838.4 Ų38.47%0.06622%0.221CC..Hα-helixtrans-58.4-40.4173.800000112.7V543 R547 Q654 C660V543-A656 HydrophobicContact CB-CB 4.33Å; V543-A656 HydrophobicContact CG1-CB 3.94Å; V543-A656 HydrophobicContact CG2-CB 4.2Å; R547-A656 HydrophobicContact CG-CB 4.43Å; Q654-A656 VanDerWaalsContact C-N 3.31Å; Q654-A656 HydrophobicContact CG-CB 4.2Å; Q654-A656 PolarHBondContact O-N 3.38Å; A656-C660 WeakPolarHBondContact O-CB 3.35Å; A656-C660 PolarHBondContact O-N 3.45Å; A656-C660 VanDerWaalsContact O-N 3.16Å; A656-C660 PolarHBondContact O-SG 2.94Å
657Y93.3Very high81.5Confident0 Ų034.5 Ų34.50%021%0.206CC..Hα-helixtrans-65.9-46.6175.8-174.9-98.4000111.1K189 L192 L193 A548 L639 Q654 S655 T659 C660 F661K189-Y657 WeakPolarHBondContact CA-OH 3.49Å; K189-Y657 HydrophobicContact CB-CD2 4.39Å; K189-Y657 HydrophobicContact CB-CE2 3.56Å; K189-Y657 HydrophobicContact CD-CD1 4.24Å; K189-Y657 HydrophobicContact CD-CD2 3.86Å; K189-Y657 HydrophobicContact CD-CE1 4.13Å; K189-Y657 HydrophobicContact CD-CE2 3.74Å; K189-Y657 HydrophobicContact CD-CG 4.11Å; K189-Y657 HydrophobicContact CG-CD2 4.46Å; K189-Y657 HydrophobicContact CG-CE1 4.23Å; K189-Y657 HydrophobicContact CG-CE2 3.82Å; K189-Y657 WeakPolarHBondContact O-CE2 3.09Å; K189-Y657 PolarHBondContact O-OH 3.17Å; L192-Y657 WeakPolarHBondContact CB-OH 3.36Å; L193-Y657 HydrophobicContact CD1-CD2 4Å; L193-Y657 HydrophobicContact CD1-CE2 3.62Å; L193-Y657 HydrophobicContact CD2-CD2 4.26Å; L193-Y657 HydrophobicContact CD2-CE2 3.77Å; L193-Y657 HydrophobicContact CG-CD2 4.31Å; L193-Y657 HydrophobicContact CG-CE2 3.57Å; A548-Y657 WeakPolarHBondContact O-CB 3.2Å; A548-Y657 WeakPolarHBondContact O-CD2 3.18Å; L639-Y657 HydrophobicContact CD1-CD1 4.06Å; L639-Y657 HydrophobicContact CD1-CE1 3.85Å; L639-Y657 HydrophobicContact CD2-CE1 3.97Å; Q654-Y657 WeakPolarHBondContact O-CB 2.99Å; Q654-Y657 PolarHBondContact O-N 3.42Å; S655-Y657 VanDerWaalsContact C-N 3.31Å; S655-Y657 PolarHBondContact O-N 3.07Å; Y657-T659 PolarHBondContact O-N 3.34Å; Y657-C660 WeakPolarHBondContact O-CB 3.48Å; Y657-C660 PolarHBondContact O-N 2.81Å; Y657-F661 HydrophobicContact CD1-CB 4.49Å; Y657-F661 HydrophobicContact CE1-CB 4.12Å; Y657-F661 HydrophobicContact CE1-CD1 4.43Å; Y657-F661 HydrophobicContact CE1-CG 4.34Å; Y657-F661 WeakPolarHBondContact O-CB 3.2Å; Y657-F661 PolarHBondContact O-N 3.43Å
658L91.7Very high82.7Confident1 Ų132.7 Ų32.71%0.00520%0.197CC..Hα-helixtrans-61.7-43.3-180-64.4178.2000112.3L639 T643 A650 F653 Q654 S655 C660 F661 R662L639-L658 HydrophobicContact CD1-CD2 3.71Å; T643-L658 VanDerWaalsContact OG1-CD2 3.27Å; T643-L658 WeakPolarHBondContact OG1-CD2 3.4Å; A650-L658 HydrophobicContact CB-CD1 4.39Å; A650-L658 WeakPolarHBondContact O-CD1 2.97Å; F653-L658 HydrophobicContact CB-CD1 4.33Å; F653-L658 HydrophobicContact CB-CD2 3.89Å; F653-L658 HydrophobicContact CB-CG 4.18Å; Q654-L658 PolarHBondContact O-N 3.3Å; Q654-L658 VanDerWaalsContact O-N 3.11Å; S655-L658 PolarHBondContact O-N 3.09Å; L658-C660 VanDerWaalsContact C-N 3.33Å; L658-C660 PolarHBondContact O-N 3.44Å; L658-F661 PolarHBondContact O-N 3.01Å; L658-R662 VanDerWaalsContact O-CG 3.27Å; L658-R662 WeakPolarHBondContact O-CG 3.23Å; L658-R662 PolarHBondContact O-N 3.24Å
659T89.5Confident84Confident59 Ų5928 Ų2836%0.36216%0.163SC..Hα-helixtrans-61-43.7174.8-57.50000111.2P542 S655 Y657P542-T659 HydrophobicContact CB-CG2 4.34Å; P542-T659 HydrophobicContact CG-CG2 3.8Å; S655-T659 PolarHBondContact O-N 2.94Å; S655-T659 PolarHBondContact O-OG1 3.14Å; S655-T659 VanDerWaalsContact O-OG1 3.1Å; Y657-T659 PolarHBondContact O-N 3.34Å
660C91Very high85.2Confident3 Ų325.2 Ų25.22%0.0215%0.146CC..Hα-helixtrans-65.6-41.8176.9-77.70000113.3L193 M541 A548 A656 Y657 L658 L663L193-C660 HydrophobicContact CD2-CB 3.9Å; M541-C660 HydrophobicContact CE-CB 3.43Å; M541-C660 VanDerWaalsContact CE-CB 3.43Å; M541-C660 VanDerWaalsContact CE-SG 3.56Å; A548-C660 HydrophobicContact CB-CB 4.36Å; A656-C660 WeakPolarHBondContact O-CB 3.35Å; A656-C660 PolarHBondContact O-N 3.45Å; A656-C660 VanDerWaalsContact O-N 3.16Å; A656-C660 PolarHBondContact O-SG 2.94Å; Y657-C660 WeakPolarHBondContact O-CB 3.48Å; Y657-C660 PolarHBondContact O-N 2.81Å; L658-C660 VanDerWaalsContact C-N 3.33Å; L658-C660 PolarHBondContact O-N 3.44Å; C660-L663 PolarHBondContact O-N 3.25Å
661F92.2Very high86.2Confident0 Ų027.1 Ų27.10%014%0.144CC..Hα-helixtrans-73.1-26.4179.5-178.1-133.9000112.7L192 L193 L639 L640 T643 Y657 L658 L663 T664 F667L192-F661 HydrophobicContact CB-CD2 4.16Å; L192-F661 HydrophobicContact CB-CE2 3.86Å; L192-F661 HydrophobicContact CD1-CE2 4.47Å; L192-F661 HydrophobicContact CD1-CZ 4.35Å; L192-F661 HydrophobicContact CD2-CE2 4.04Å; L192-F661 HydrophobicContact CD2-CZ 4.2Å; L192-F661 HydrophobicContact CG-CE2 4.34Å; L193-F661 HydrophobicContact CD2-CB 4.19Å; L639-F661 HydrophobicContact CD2-CD1 4.48Å; L639-F661 HydrophobicContact CD2-CE1 4.18Å; L639-F661 HydrophobicContact CG-CD1 4.38Å; L639-F661 HydrophobicContact CG-CE1 4.15Å; L640-F661 HydrophobicContact CD2-CE1 3.95Å; L640-F661 HydrophobicContact CD2-CZ 3.91Å; T643-F661 HydrophobicContact CG2-CD1 3.9Å; T643-F661 HydrophobicContact CG2-CE1 4.47Å; Y657-F661 HydrophobicContact CD1-CB 4.49Å; Y657-F661 HydrophobicContact CE1-CB 4.12Å; Y657-F661 HydrophobicContact CE1-CD1 4.43Å; Y657-F661 HydrophobicContact CE1-CG 4.34Å; Y657-F661 WeakPolarHBondContact O-CB 3.2Å; Y657-F661 PolarHBondContact O-N 3.43Å; L658-F661 PolarHBondContact O-N 3.01Å; F661-L663 PolarHBondContact O-N 3.35Å; F661-T664 HydrophobicContact CD2-CG2 4.46Å; F661-T664 WeakPolarHBondContact CD2-OG1 3.29Å; F661-T664 PolarHBondContact O-N 3.01Å; F661-T664 PolarHBondContact O-OG1 3.15Å; F661-F667 HydrophobicContact CD1-CD2 4.18Å; F661-F667 HydrophobicContact CD2-CB 4.3Å; F661-F667 AromaticContact CE1-CD2 3.74Å; F661-F667 HydrophobicContact CE1-CD2 3.74Å; F661-F667 HydrophobicContact CE1-CE2 4.34Å; F661-F667 HydrophobicContact CE2-CB 4.02Å; F661-F667 HydrophobicContact CE2-CD2 4.43Å; F661-F667 HydrophobicContact CZ-CB 4.27Å; F661-F667 AromaticContact CZ-CD2 3.88Å; F661-F667 HydrophobicContact CZ-CD2 3.88Å; F661-F667 HydrophobicContact CZ-CG 4.49Å; F661-F667 WeakPolarHBondContact O-CB 3.38Å; F661-F667 WeakPolarHBondContact O-CG 3.46Å
662R89.3Confident86.4Confident81 Ų8128.3 Ų28.331%0.30614%0.137SC..THydrogen-bonded Turntrans-62-20.6169.8-77.1168.7-179.3153.51.3113.7T643 L658 F667 L668T643-R662 HydrophobicContact CG2-CG 3.45Å; T643-R662 VanDerWaalsContact CG2-CG 3.45Å; T643-R662 VanDerWaalsContact O-CZ 3.27Å; T643-R662 PolarHBondContact O-NE 3.38Å; T643-R662 PolarHBondContact O-NH2 2.06Å; L658-R662 VanDerWaalsContact O-CG 3.27Å; L658-R662 WeakPolarHBondContact O-CG 3.23Å; L658-R662 PolarHBondContact O-N 3.24Å; R662-F667 HydrophobicContact CB-CD1 4.49Å; R662-F667 HydrophobicContact CB-CE1 4.4Å; R662-F667 HydrophobicContact CG-CD1 4.5Å; R662-F667 HydrophobicContact CG-CE1 4Å; R662-F667 HydrophobicContact CG-CZ 4.47Å; R662-L668 VanDerWaalsContact O-CD2 3.29Å; R662-L668 WeakPolarHBondContact O-CD2 3.48Å
663L87.8Confident86.1Confident65 Ų6531.6 Ų31.634%0.3415%0.151SC..THydrogen-bonded Turntrans-105.219.8-176.5-58.2174.4000112.7W243 P542 C660 F661W243-L663 VanDerWaalsContact CZ3-O 3.29Å; W243-L663 WeakPolarHBondContact CZ3-O 3.42Å; P542-L663 HydrophobicContact CG-CD1 3.76Å; C660-L663 PolarHBondContact O-N 3.25Å; F661-L663 PolarHBondContact O-N 3.35Å
664T88.5Confident85.2Confident3 Ų332.1 Ų32.12%0.01815%0.154CC..SBendtrans-101.3152.7172.757.70000111.1L193 E194 F661 N666 F667 L668L193-T664 HydrophobicContact CD2-CG2 4.49Å; E194-T664 HydrophobicContact CB-CG2 4.46Å; E194-T664 HydrophobicContact CG-CG2 4.26Å; F661-T664 HydrophobicContact CD2-CG2 4.46Å; F661-T664 WeakPolarHBondContact CD2-OG1 3.29Å; F661-T664 PolarHBondContact O-N 3.01Å; F661-T664 PolarHBondContact O-OG1 3.15Å; T664-N666 VanDerWaalsContact CB-OD1 3.27Å; T664-N666 WeakPolarHBondContact CB-OD1 3.38Å; T664-N666 PolarHBondContact OG1-OD1 3.07Å; T664-F667 PolarHBondContact O-N 3.41Å; T664-F667 WeakPolarHBondContact OG1-CB 3.46Å; T664-L668 PolarHBondContact O-N 3.24Å
665R85.7Confident84Confident0 Ų033.2 Ų33.20%016%0.164CC..Hα-helixtrans-71.5-39.7-174.8179177.2153.2-69.1-2.3112.1E194 W243 S365 T368 F667 L668 I669 F674E194-R665 VanDerWaalsContact CD-N 3.29Å; E194-R665 WeakPolarHBondContact OE1-CB 3.25Å; E194-R665 PolarHBondContact OE1-N 3.12Å; E194-R665 PolarHBondContact OE2-N 3.02Å; W243-R665 HydrophobicContact CH2-CB 3.67Å; W243-R665 HydrophobicContact CH2-CG 4.44Å; W243-R665 HydrophobicContact CZ2-CB 3.78Å; W243-R665 HydrophobicContact CZ2-CG 4.13Å; S365-R665 PolarHBondContact O-NH1 3.24Å; T368-R665 PolarHBondContact O-NH1 3.29Å; T368-R665 VanDerWaalsContact OG1-CZ 3.28Å; T368-R665 PolarHBondContact OG1-NH1 2.9Å; T368-R665 PolarHBondContact OG1-NH2 3.31Å; R665-F667 PolarHBondContact O-N 2.91Å; R665-L668 PolarHBondContact O-N 3.14Å; R665-I669 HydrophobicContact CG-CD1 3.58Å; R665-I669 HydrophobicContact CG-CG1 4.12Å; R665-I669 VanDerWaalsContact CZ-CD1 3.47Å; R665-I669 VanDerWaalsContact O-CB 3.31Å; R665-I669 WeakPolarHBondContact O-CB 3.42Å; R665-I669 WeakPolarHBondContact O-CG1 3.3Å; R665-I669 PolarHBondContact O-N 3.41Å; R665-F674 HydrophobicContact CG-CD1 3.98Å; R665-F674 HydrophobicContact CG-CE1 3.95Å
666N87.8Confident82.6Confident0 Ų030.1 Ų30.10%014%0.142CC..Hα-helixtrans-52.6-40.6170.759.920.4000111.8L192 E194 V366 T664 W670L192-N666 PolarHBondContact O-ND2 3.38Å; E194-N666 WeakPolarHBondContact CG-ND2 3.29Å; E194-N666 WeakPolarHBondContact OE1-CB 3.24Å; E194-N666 VanDerWaalsContact OE1-CG 3.31Å; E194-N666 PolarHBondContact OE1-N 3.02Å; V366-N666 HydrophobicContact CG2-CB 4.25Å; T664-N666 VanDerWaalsContact CB-OD1 3.27Å; T664-N666 WeakPolarHBondContact CB-OD1 3.38Å; T664-N666 PolarHBondContact OG1-OD1 3.07Å; N666-W670 WeakPolarHBondContact O-CB 3.46Å; N666-W670 PolarHBondContact O-N 2.91Å; N666-W670 VanDerWaalsContact O-N 3.07Å
667F88.3Confident81Confident1 Ų134 Ų340%0.00417%0.168CC..Hα-helixtrans-77.9-43.2179.1-175-94.1000112.6L640 T643 Q644 F661 R662 T664 R665 I669 W670 R671L640-F667 HydrophobicContact CD2-CD2 4.07Å; L640-F667 HydrophobicContact CD2-CE2 4.24Å; T643-F667 HydrophobicContact CG2-CD2 4.01Å; T643-F667 HydrophobicContact CG2-CE1 3.97Å; T643-F667 HydrophobicContact CG2-CE2 3.37Å; T643-F667 HydrophobicContact CG2-CZ 3.35Å; Q644-F667 HydrophobicContact CG-CZ 4.41Å; F661-F667 HydrophobicContact CD1-CD2 4.18Å; F661-F667 HydrophobicContact CD2-CB 4.3Å; F661-F667 AromaticContact CE1-CD2 3.74Å; F661-F667 HydrophobicContact CE1-CD2 3.74Å; F661-F667 HydrophobicContact CE1-CE2 4.34Å; F661-F667 HydrophobicContact CE2-CB 4.02Å; F661-F667 HydrophobicContact CE2-CD2 4.43Å; F661-F667 HydrophobicContact CZ-CB 4.27Å; F661-F667 AromaticContact CZ-CD2 3.88Å; F661-F667 HydrophobicContact CZ-CD2 3.88Å; F661-F667 HydrophobicContact CZ-CG 4.49Å; F661-F667 WeakPolarHBondContact O-CB 3.38Å; F661-F667 WeakPolarHBondContact O-CG 3.46Å; R662-F667 HydrophobicContact CB-CD1 4.49Å; R662-F667 HydrophobicContact CB-CE1 4.4Å; R662-F667 HydrophobicContact CG-CD1 4.5Å; R662-F667 HydrophobicContact CG-CE1 4Å; R662-F667 HydrophobicContact CG-CZ 4.47Å; T664-F667 PolarHBondContact O-N 3.41Å; T664-F667 WeakPolarHBondContact OG1-CB 3.46Å; R665-F667 PolarHBondContact O-N 2.91Å; F667-I669 VanDerWaalsContact C-N 3.34Å; F667-I669 PolarHBondContact O-N 3.04Å; F667-W670 AromaticContact CD2-CE3 3.93Å; F667-W670 HydrophobicContact CD2-CE3 3.93Å; F667-W670 HydrophobicContact CD2-CZ3 4.26Å; F667-W670 AromaticContact CE2-CE3 3.7Å; F667-W670 HydrophobicContact CE2-CE3 3.7Å; F667-W670 AromaticContact CE2-CZ3 3.58Å; F667-W670 HydrophobicContact CE2-CZ3 3.58Å; F667-W670 HydrophobicContact CZ-CE3 4.39Å; F667-W670 HydrophobicContact CZ-CZ3 4.18Å; F667-W670 PolarHBondContact O-N 3.3Å; F667-R671 HydrophobicContact CE1-CB 4.27Å; F667-R671 VanDerWaalsContact O-CB 3.28Å; F667-R671 WeakPolarHBondContact O-CB 3.35Å; F667-R671 PolarHBondContact O-N 3.4Å
668L85Confident79Confident7 Ų738.6 Ų38.64%0.03719%0.19CC..Hα-helixtrans-65.6-35.8176.8-66.7-171.3000112.3W243 I246 R662 T664 R665 Y672 Q673 F674W243-L668 HydrophobicContact CE3-CD1 3.98Å; W243-L668 HydrophobicContact CH2-CD1 3.55Å; W243-L668 HydrophobicContact CH2-CG 4.24Å; W243-L668 HydrophobicContact CZ2-CD1 4.19Å; W243-L668 HydrophobicContact CZ3-CD1 3.43Å; W243-L668 VanDerWaalsContact CZ3-CD1 3.43Å; W243-L668 HydrophobicContact CZ3-CG 4.29Å; I246-L668 HydrophobicContact CD1-CD1 4.19Å; R662-L668 VanDerWaalsContact O-CD2 3.29Å; R662-L668 WeakPolarHBondContact O-CD2 3.48Å; T664-L668 PolarHBondContact O-N 3.24Å; R665-L668 PolarHBondContact O-N 3.14Å; L668-Y672 PolarHBondContact O-N 3.44Å; L668-Q673 HydrophobicContact CB-CB 4.44Å; L668-Q673 HydrophobicContact CD2-CB 4.01Å; L668-Q673 PolarHBondContact O-N 2.93Å; L668-F674 HydrophobicContact CB-CB 3.6Å; L668-F674 HydrophobicContact CD1-CB 4.36Å; L668-F674 PolarHBondContact O-N 2.88Å
669I81.2Confident77.1Confident11 Ų1138.9 Ų38.96%0.05619%0.192CC..Hα-helixtrans-64.7-52.4172.2-69.5171.9000109.8S365 R665 F667 R671 Y672 F674 P676 L679S365-I669 VanDerWaalsContact OG-CD1 3.3Å; S365-I669 WeakPolarHBondContact OG-CD1 3.45Å; R665-I669 HydrophobicContact CG-CD1 3.58Å; R665-I669 HydrophobicContact CG-CG1 4.12Å; R665-I669 VanDerWaalsContact CZ-CD1 3.47Å; R665-I669 VanDerWaalsContact O-CB 3.31Å; R665-I669 WeakPolarHBondContact O-CB 3.42Å; R665-I669 WeakPolarHBondContact O-CG1 3.3Å; R665-I669 PolarHBondContact O-N 3.41Å; F667-I669 VanDerWaalsContact C-N 3.34Å; F667-I669 PolarHBondContact O-N 3.04Å; I669-R671 VanDerWaalsContact C-N 3.26Å; I669-R671 PolarHBondContact O-N 3.16Å; I669-Y672 WeakPolarHBondContact O-CA 3.41Å; I669-Y672 PolarHBondContact O-N 3.45Å; I669-F674 WeakPolarHBondContact CA-O 3.3Å; I669-F674 HydrophobicContact CD1-CD1 4.35Å; I669-F674 HydrophobicContact CG1-CD1 3.88Å; I669-F674 WeakPolarHBondContact CG1-O 3.49Å; I669-P676 HydrophobicContact CD1-CG 3.55Å; I669-P676 HydrophobicContact CG1-CG 3.93Å; I669-L679 HydrophobicContact CG2-CD2 4.42Å
670W83.8Confident75Confident17 Ų1739.1 Ų39.16%0.06419%0.188CC..Hα-helixtrans-59-34.8179.7176.681000113.4W360 L364 L640 Q644 N666 F667 Y672W360-W670 PolarHBondContact O-NE1 2.89Å; L364-W670 HydrophobicContact CD2-CB 4.06Å; L364-W670 VanDerWaalsContact CD2-CD1 3.46Å; L364-W670 HydrophobicContact CD2-CG 3.81Å; L640-W670 HydrophobicContact CB-CH2 3.62Å; L640-W670 HydrophobicContact CB-CZ2 3.9Å; L640-W670 HydrophobicContact CB-CZ3 4.09Å; L640-W670 HydrophobicContact CD1-CH2 4.49Å; L640-W670 HydrophobicContact CD1-CZ2 3.98Å; L640-W670 HydrophobicContact CD2-CD2 3.89Å; L640-W670 HydrophobicContact CD2-CE3 3.76Å; L640-W670 HydrophobicContact CD2-CH2 4.08Å; L640-W670 HydrophobicContact CD2-CZ2 4.21Å; L640-W670 HydrophobicContact CD2-CZ3 3.82Å; L640-W670 HydrophobicContact CG-CH2 4.27Å; L640-W670 HydrophobicContact CG-CZ2 4.26Å; L640-W670 HydrophobicContact CG-CZ3 4.49Å; Q644-W670 HydrophobicContact CG-CH2 3.91Å; Q644-W670 HydrophobicContact CG-CZ3 3.67Å; N666-W670 WeakPolarHBondContact O-CB 3.46Å; N666-W670 PolarHBondContact O-N 2.91Å; N666-W670 VanDerWaalsContact O-N 3.07Å; F667-W670 AromaticContact CD2-CE3 3.93Å; F667-W670 HydrophobicContact CD2-CE3 3.93Å; F667-W670 HydrophobicContact CD2-CZ3 4.26Å; F667-W670 AromaticContact CE2-CE3 3.7Å; F667-W670 HydrophobicContact CE2-CE3 3.7Å; F667-W670 AromaticContact CE2-CZ3 3.58Å; F667-W670 HydrophobicContact CE2-CZ3 3.58Å; F667-W670 HydrophobicContact CZ-CE3 4.39Å; F667-W670 HydrophobicContact CZ-CZ3 4.18Å; F667-W670 PolarHBondContact O-N 3.3Å; W670-Y672 VanDerWaalsContact C-N 3.27Å; W670-Y672 PolarHBondContact O-N 3.5Å
671R80.5Confident72.3Confident87 Ų8743.9 Ų43.933%0.32822%0.217SC..THydrogen-bonded Turntrans-83.10.4175-163.1168.7173.5-1519.4113.4F667 I669 Q673F667-R671 HydrophobicContact CE1-CB 4.27Å; F667-R671 VanDerWaalsContact O-CB 3.28Å; F667-R671 WeakPolarHBondContact O-CB 3.35Å; F667-R671 PolarHBondContact O-N 3.4Å; I669-R671 VanDerWaalsContact C-N 3.26Å; I669-R671 PolarHBondContact O-N 3.16Å; R671-Q673 HydrophobicContact CB-CG 4.19Å; R671-Q673 VanDerWaalsContact CD-OE1 3.29Å; R671-Q673 HydrophobicContact CG-CG 3.99Å; R671-Q673 PolarHBondContact O-N 3.37Å
672Y73.3Confident69.2Low102 Ų10247.9 Ų47.940%0.424%0.241SC..THydrogen-bonded Turntrans56.929.4-174.6-167.1-100.8000113.4L668 I669 W670 T675 S735L668-Y672 PolarHBondContact O-N 3.44Å; I669-Y672 WeakPolarHBondContact O-CA 3.41Å; I669-Y672 PolarHBondContact O-N 3.45Å; W670-Y672 VanDerWaalsContact C-N 3.27Å; W670-Y672 PolarHBondContact O-N 3.5Å; Y672-T675 VanDerWaalsContact CE2-OG1 3.31Å; Y672-T675 WeakPolarHBondContact CE2-OG1 3.39Å; Y672-S735 WeakPolarHBondContact CE2-O 3.37Å; Y672-S735 WeakPolarHBondContact OH-CB 3.14Å; Y672-S735 PolarHBondContact OH-OG 2.77Å
673Q70.1Confident66.3Low99 Ų9948.8 Ų48.846%0.46326%0.259SS..SBendtrans-93.2-11.6173.3-64.9-168.9-63.600112.6L668 R671L668-Q673 HydrophobicContact CB-CB 4.44Å; L668-Q673 HydrophobicContact CD2-CB 4.01Å; L668-Q673 PolarHBondContact O-N 2.93Å; R671-Q673 HydrophobicContact CB-CG 4.19Å; R671-Q673 VanDerWaalsContact CD-OE1 3.29Å; R671-Q673 HydrophobicContact CG-CG 3.99Å; R671-Q673 PolarHBondContact O-N 3.37Å
674F63.9Low63.4Low20 Ų2055 Ų559%0.08828%0.284CS..  trans-141.7116175-178.3-108.8000109.9E239 W243 R665 L668 I669 P676E239-F674 HydrophobicContact CB-CE2 4.46Å; E239-F674 HydrophobicContact CB-CZ 3.98Å; E239-F674 HydrophobicContact CG-CZ 4.21Å; E239-F674 WeakPolarHBondContact OE2-CZ 3.45Å; W243-F674 HydrophobicContact CZ2-CD1 4.34Å; W243-F674 HydrophobicContact CZ2-CE1 4.35Å; W243-F674 HydrophobicContact CZ2-CG 4.49Å; W243-F674 AromaticContact NE1-CE2 3.81Å; W243-F674 AromaticContact NE1-CZ 3.96Å; R665-F674 HydrophobicContact CG-CD1 3.98Å; R665-F674 HydrophobicContact CG-CE1 3.95Å; L668-F674 HydrophobicContact CB-CB 3.6Å; L668-F674 HydrophobicContact CD1-CB 4.36Å; L668-F674 PolarHBondContact O-N 2.88Å; I669-F674 WeakPolarHBondContact CA-O 3.3Å; I669-F674 HydrophobicContact CD1-CD1 4.35Å; I669-F674 HydrophobicContact CG1-CD1 3.88Å; I669-F674 WeakPolarHBondContact CG1-O 3.49Å; F674-P676 HydrophobicContact CD1-CG 3.88Å; F674-P676 HydrophobicContact CE1-CB 3.86Å; F674-P676 HydrophobicContact CE1-CG 3.65Å; F674-P676 HydrophobicContact CZ-CB 4.35Å
675T63.7Low60.4Low67 Ų6760.4 Ų60.441%0.41132%0.319SS..  trans-108.1103.4175.7-62.20000107.9Y672 F680Y672-T675 VanDerWaalsContact CE2-OG1 3.31Å; Y672-T675 WeakPolarHBondContact CE2-OG1 3.39Å; T675-F680 HydrophobicContact CG2-CD2 3.6Å; T675-F680 HydrophobicContact CG2-CE2 3.76Å
676P58.3Low57.6Low1 Ų169.1 Ų69.11%0.00636%0.36CS..  trans-74133.7-174.9-5.320.5000110.1E239 K369 I669 F674 Q678 L679E239-P676 WeakPolarHBondContact OE1-CB 3.32Å; K369-P676 HydrophobicContact CD-CB 3.88Å; I669-P676 HydrophobicContact CD1-CG 3.55Å; I669-P676 HydrophobicContact CG1-CG 3.93Å; F674-P676 HydrophobicContact CD1-CG 3.88Å; F674-P676 HydrophobicContact CE1-CB 3.86Å; F674-P676 HydrophobicContact CE1-CG 3.65Å; F674-P676 HydrophobicContact CZ-CB 4.35Å; P676-Q678 PolarHBondContact O-N 3.29Å; P676-L679 HydrophobicContact CB-CB 3.95Å; P676-L679 HydrophobicContact CG-CB 3.8Å; P676-L679 HydrophobicContact CG-CD1 4.41Å; P676-L679 HydrophobicContact CG-CD2 4.42Å; P676-L679 HydrophobicContact CG-CG 4.44Å; P676-L679 PolarHBondContact O-N 2.93Å
677S55.5Low54.7Low89 Ų8975.7 Ų75.762%0.62239%0.394SS*.THydrogen-bonded Turntrans-55.2-30.5-168.755.80000115.2
678Q51.5Low51.9Low97 Ų9781.8 Ų81.845%0.45343%0.425SS..THydrogen-bonded Turntrans-109.3-3.3-178.6-60.7-177.2900113.7P676 F680 T681P676-Q678 PolarHBondContact O-N 3.29Å; Q678-F680 PolarHBondContact O-N 3.42Å; Q678-T681 PolarHBondContact O-OG1 3.49Å
679L51.7Low49.3Very low8 Ų884.9 Ų84.94%0.04244%0.44CS..THydrogen-bonded Turntrans-71.3-25.4174.3-151.997.1000111.1P354 T368 I669 P676P354-L679 WeakPolarHBondContact CD-O 3.25Å; P354-L679 HydrophobicContact CG-CG 4.26Å; P354-L679 VanDerWaalsContact CG-O 3.28Å; P354-L679 WeakPolarHBondContact CG-O 3.41Å; T368-L679 HydrophobicContact CG2-CD1 4.35Å; I669-L679 HydrophobicContact CG2-CD2 4.42Å; P676-L679 HydrophobicContact CB-CB 3.95Å; P676-L679 HydrophobicContact CG-CB 3.8Å; P676-L679 HydrophobicContact CG-CD1 4.41Å; P676-L679 HydrophobicContact CG-CD2 4.42Å; P676-L679 HydrophobicContact CG-CG 4.44Å; P676-L679 PolarHBondContact O-N 2.93Å
680F45.5Very low46.9Very low64 Ų6490 Ų9028%0.28146%0.463SS..THydrogen-bonded Turntrans-118.356178.3-56-76.7000110T675 Q678 V682 P738T675-F680 HydrophobicContact CG2-CD2 3.6Å; T675-F680 HydrophobicContact CG2-CE2 3.76Å; Q678-F680 PolarHBondContact O-N 3.42Å; F680-V682 PolarHBondContact O-N 2.71Å; F680-P738 HydrophobicContact CE1-CG 4.39Å
681T34.1Very low44.2Very low103 Ų10394.2 Ų94.263%0.63249%0.487SS*.  trans-73.177.8170.7-49.10000108.8Q678 S683Q678-T681 PolarHBondContact O-OG1 3.49Å; T681-S683 PolarHBondContact O-N 3.34Å
682V28.7Very low41.9Very low84 Ų8494.1 Ų94.151%0.50950%0.496SS..PPolyproline II helixtrans-57.5120.3157.6-179.20000105.5N352 F680 K684N352-V682 HydrophobicContact CB-CG2 4.31Å; F680-V682 PolarHBondContact O-N 2.71Å; V682-K684 PolarHBondContact O-N 2.86Å; V682-K684 VanDerWaalsContact O-N 3.09Å
683S27.6Very low39.9Very low99 Ų9993.5 Ų93.569%0.69251%0.507SS*.PPolyproline II helixtrans-47.1122.2170.4-460000107.7T681 P685T681-S683 PolarHBondContact O-N 3.34Å; S683-P685 WeakPolarHBondContact O-CD 3.46Å
684K27.1Very low38.2Very low195 Ų19595.6 Ų95.685%0.84852%0.521SS*.PPolyproline II helixtrans-50.3124.5165.2-80.2-176.7176-179.90105.6V682 E686V682-K684 PolarHBondContact O-N 2.86Å; V682-K684 VanDerWaalsContact O-N 3.09Å; K684-E686 PolarHBondContact O-N 3.27Å
685P26Very low36.8Very low118 Ų118100.8 Ų100.877%0.76655%0.554SS**PPolyproline II helixtrans-59.9116.117624.1-31.6000106.4S683 L687S683-P685 WeakPolarHBondContact O-CD 3.46Å; P685-L687 PolarHBondContact O-N 2.69Å
686E26.8Very low35.3Very low182 Ų182107 Ų10785%0.8558%0.576SS**PPolyproline II helixtrans-58.2123.8166.2-85.9-174.8132.300106.7K684 I688K684-E686 PolarHBondContact O-N 3.27Å; E686-I688 VanDerWaalsContact C-N 3.29Å; E686-I688 PolarHBondContact O-N 2.86Å
687L26.9Very low34.1Very low138 Ų138112 Ų11272%0.72361%0.611SS**  trans-65.397170.5-92.7159.6000107.2P685 H689P685-L687 PolarHBondContact O-N 2.69Å; L687-H689 PolarHBondContact O-N 3.11Å
688I28Very low33Very low129 Ų129114.7 Ų114.766%0.66262%0.617SS**  trans-65.387.3164.7-56.9175.9000106.5E686 H690E686-I688 VanDerWaalsContact C-N 3.29Å; E686-I688 PolarHBondContact O-N 2.86Å; I688-H690 VanDerWaalsContact C-N 3.29Å; I688-H690 PolarHBondContact O-N 2.94Å
689H31.9Very low31.9Very low73 Ų73117.6 Ų117.634%0.33864%0.635SS.*  trans-69.497.6157.1-73.5-59.4000106.7L687 Q718L687-H689 PolarHBondContact O-N 3.11Å; H689-Q718 HydrophobicContact CB-CB 4.21Å; H689-Q718 HydrophobicContact CB-CG 4.29Å; H689-Q718 PolarHBondContact CE1-NE2 2.89Å; H689-Q718 PolarHBondContact NE2-NE2 3.46Å
690H29.9Very low31.1Very low119 Ų119125.3 Ų125.355%0.55167%0.671SS**  trans-49.2159.4151.8-72.5-87.4000109.3I688 L719I688-H690 VanDerWaalsContact C-N 3.29Å; I688-H690 PolarHBondContact O-N 2.94Å; H690-L719 CarbonylContact C-O 3.56Å; H690-L719 WeakPolarHBondContact CB-O 3.12Å; H690-L719 CarbonylContact O-C 3.58Å; H690-L719 WeakPolarHBondContact O-CA 3.21Å; H690-L719 PolarHBondContact O-N 3.1Å
691N27.9Very low30.6Very low104 Ų104129.3 Ų129.356%0.55670%0.695SS**BIsolated β-bridgetrans-130102.9168.1-82.3-11.1000108.3L717 Q718 L719N691-L717 PolarHBondContact OD1-O 2.83Å; N691-Q718 WeakPolarHBondContact OD1-CA 3.43Å; N691-Q718 PolarHBondContact OD1-O 2.96Å; N691-L719 CarbonylContact C-O 3.04Å; N691-L719 WeakPolarHBondContact CA-O 3.33Å; N691-L719 PolarHBondContact N-O 2.83Å; N691-L719 PolarHBondContact OD1-N 2.86Å
692T32.6Very low30.6Very low85 Ų85129.6 Ų129.652%0.52170%0.697SS.*  trans-132.8102164.831.10000110.8L719T692-L719 PolarHBondContact N-O 3.38Å
693S31Very low30.9Very low89 Ų89131.5 Ų131.562%0.62270%0.704SS**  trans-63.7125156.250.10000109.6
694D33.6Very low31.3Very low144 Ų144133.4 Ų133.477%0.7771%0.706SS**  -178.4159118.6-94.6-27.6000113.9
695T34.2Very low31.7Very low128 Ų128129 Ų12979%0.78570%0.695SS**  trans74.479.6168.163.80000120.1
696K33.2Very low32.2Very low197 Ų197130.9 Ų130.986%0.85769%0.694SS**  30.4141120.6-62.9175.2178.9173.10120.6
697S32.7Very low32.7Very low107 Ų107127.1 Ų127.175%0.74869%0.688SS**  trans78.6135.8152.481.60000115.7
698I33Very low33Very low146 Ų146127.7 Ų127.775%0.74969%0.685SS**  cis-137.9147.69.4-89.6110.1000110.1
699N28.7Very low33.4Very low157 Ų157129.6 Ų129.684%0.8469%0.688SS**  trans-89.9146.4165.3-71.1-26.9000110.6
700E34.4Very low33.5Very low170 Ų170130.5 Ų130.579%0.79470%0.703SS**  trans-160132.3146.8-118.9171.1-155.900112.2
701L34Very low33.5Very low149 Ų149130 Ų13078%0.7871%0.708SS**  trans69.1135.1160.8-51.5163.9000116.5
702T34Very low33.8Very low109 Ų109133.9 Ų133.967%0.66972%0.723SS**  cis-160.1154.76.24.70000111.2
703D35.9Very low33.8Very low124 Ų124135.9 Ų135.966%0.66373%0.731SS**  trans61.9111158.4-57.9-38.5000120
704N35.3Very low33.9Very low138 Ų138136.3 Ų136.374%0.73873%0.734SS**  70.7129.168-65.3-38.4000112.4
705V36.3Very low33.9Very low102 Ų102136.1 Ų136.162%0.61873%0.733SS**  cis-163.5143.24.11070000110
706E37.2Very low33.6Very low158 Ų158137 Ų13774%0.73873%0.732SS**  trans55.2149.9149.2-67.3168.8-176.500120.4
707S35.7Very low33.5Very low103 Ų103134.2 Ų134.272%0.7273%0.726SS**  cis-175.616517.534.70000108.4
708F34.6Very low33.3Very low150 Ų150134.5 Ų134.566%0.65872%0.716SS**  cis-157.8129.8-19.2-124.7-111.3000106.7
709K35.7Very low33.2Very low170 Ų170131.6 Ų131.674%0.73970%0.701SS**  trans58.2148.6131.9-68.7-163.1-166.8179.70122.1
710S34.6Very low33.3Very low91 Ų91130.1 Ų130.164%0.63669%0.689SS**  cis-169.1152.64.735.90000114.2
711T29.9Very low33.2Very low110 Ų110128.5 Ų128.568%0.67569%0.686SS**  trans57.8141.8145.553.90000118.5
712E33.6Very low32.9Very low185 Ų185126 Ų12686%0.86468%0.681SS**  cis-148164.331.7-67.3171.1-174.300110.7
713D32.3Very low32.6Very low127 Ų127125.7 Ų125.768%0.67968%0.682SS**  cis-167.4162-42.3-126.265.3000110.1
714S33.7Very low32.3Very low98 Ų98125.5 Ų125.569%0.68569%0.686SS**  trans63.2144.7167.567.90000121.1
715N32.1Very low32.2Very low140 Ų140125.2 Ų125.275%0.74969%0.689SS**  cis-159.9124.6-17.5-88.6-30.1000106.7
716N29Very low31.9Very low146 Ų146126 Ų12678%0.78170%0.7SS**  52.513288.8-75.8-13000115.4
717L31.5Very low31.5Very low139 Ų139123.9 Ų123.973%0.72870%0.699SS**  cis-147.2161.540.4-85.9101.7000116.7N691N691-L717 PolarHBondContact OD1-O 2.83Å
718Q28.7Very low31.1Very low113 Ų113129.3 Ų129.353%0.52871%0.705SS.*  trans-108.7171.5160.7-51.4167.3-34.600110.7H689 N691H689-Q718 HydrophobicContact CB-CB 4.21Å; H689-Q718 HydrophobicContact CB-CG 4.29Å; H689-Q718 PolarHBondContact CE1-NE2 2.89Å; H689-Q718 PolarHBondContact NE2-NE2 3.46Å; N691-Q718 WeakPolarHBondContact OD1-CA 3.43Å; N691-Q718 PolarHBondContact OD1-O 2.96Å
719L30.3Very low30.8Very low84 Ų84127.6 Ų127.644%0.4471%0.712SS.*BIsolated β-bridgetrans-177.9113.5137.6-99163.4000115.1H690 N691 T692H690-L719 CarbonylContact C-O 3.56Å; H690-L719 WeakPolarHBondContact CB-O 3.12Å; H690-L719 CarbonylContact O-C 3.58Å; H690-L719 WeakPolarHBondContact O-CA 3.21Å; H690-L719 PolarHBondContact O-N 3.1Å; N691-L719 CarbonylContact C-O 3.04Å; N691-L719 WeakPolarHBondContact CA-O 3.33Å; N691-L719 PolarHBondContact N-O 2.83Å; N691-L719 PolarHBondContact OD1-N 2.86Å; T692-L719 PolarHBondContact N-O 3.38Å
720Q30.8Very low30.6Very low126 Ų126125.6 Ų125.659%0.58971%0.714SS**  trans-68.2171.5174.2-62166.7-67.200113.5
721D31.7Very low30.3Very low136 Ų136126.2 Ų126.273%0.72772%0.724SS**  -163.3131.4129.4-110.2-27.8000116.9
722S29.1Very low30.2Very low98 Ų98125.8 Ų125.869%0.68573%0.732SS**  trans52.2147.5139.194.90000122
723C27.5Very low30.1Very low102 Ų102122.3 Ų122.369%0.68972%0.723SS**  cis-159.4147.232.1-1140000115.2
724T28.9Very low30Very low119 Ų119119.9 Ų119.973%0.7371%0.713SS**  trans72.7138.6141.561.20000125
725T33.5Very low29.9Very low132 Ų132118.7 Ų118.781%0.8170%0.704SS**  trans92.294.2157.861.90000122.4
726S29.1Very low30.1Very low120 Ų120119.8 Ų119.884%0.83971%0.705SS**  trans118.3140132.578.10000117.4
727P30.3Very low30.9Very low112 Ų112114.2 Ų114.273%0.72767%0.674SS**  trans-103.1163.8-169.341.1-36.2000114.3
728Y26Very low31.8Very low217 Ų217109.9 Ų109.985%0.85166%0.655SS**SBendtrans73125.6170.2-82.6-92.2000119.8
729S29.2Very low32.6Very low115 Ų115105 Ų10580%0.80463%0.634SS**  trans87.227.4133.7-155.40000122.8
730V31.9Very low33.6Very low128 Ų128105.9 Ų105.978%0.77663%0.632SS**  trans-131.647.8178.4-155.90000115.2
731A27.5Very low34.5Very low103 Ų103106 Ų10685%0.85163%0.63SS**SBendtrans-113.6-10170.900000114.4V733A731-V733 PolarHBondContact O-N 2.77Å; A731-V733 VanDerWaalsContact O-N 3.16Å
732A27.5Very low35.3Very low101 Ų101103.9 Ų103.984%0.83562%0.618SS**SBendtrans-85.760.4164.400000109.5V734A732-V734 PolarHBondContact O-N 2.88Å
733V31Very low36.3Very low112 Ų11299.8 Ų99.868%0.67959%0.59SS**  trans-67.6116.9175.6177.20000107.8A731 S735A731-V733 PolarHBondContact O-N 2.77Å; A731-V733 VanDerWaalsContact O-N 3.16Å; V733-S735 PolarHBondContact O-N 2.83Å; V733-S735 VanDerWaalsContact O-N 3.09Å
734V30.4Very low37.5Very low77 Ų7799.8 Ų99.847%0.46758%0.58SS.*  trans-46.1118.6174-178.60000108.6Y259 A732 Q736Y259-V734 HydrophobicContact CE2-CG2 4.23Å; A732-V734 PolarHBondContact O-N 2.88Å; V734-Q736 HydrophobicContact CB-CG 4.22Å; V734-Q736 HydrophobicContact CG1-CG 3.76Å; V734-Q736 PolarHBondContact O-N 3.32Å
735S31.9Very low38.6Very low72 Ų7297.6 Ų97.650%0.50357%0.568SS.*  trans-71.170.9172.438.80000109.6Y672 V733 H737Y672-S735 WeakPolarHBondContact CE2-O 3.37Å; Y672-S735 WeakPolarHBondContact OH-CB 3.14Å; Y672-S735 PolarHBondContact OH-OG 2.77Å; V733-S735 PolarHBondContact O-N 2.83Å; V733-S735 VanDerWaalsContact O-N 3.09Å; S735-H737 PolarHBondContact O-N 3.34Å
736Q37.2Very low39.7Very low163 Ų16396.1 Ų96.176%0.76256%0.555SS**  trans-61.5125.2171.8-67.7-177.2-16.800108V734V734-Q736 HydrophobicContact CB-CG 4.22Å; V734-Q736 HydrophobicContact CG1-CG 3.76Å; V734-Q736 PolarHBondContact O-N 3.32Å
737H45.6Very low41.1Very low29 Ų2992 Ų9213%0.13452%0.524CS..  trans-48.8140.1171.1-176.6-81.4000109.3S735 G739 R740S735-H737 PolarHBondContact O-N 3.34Å; H737-G739 PolarHBondContact ND1-N 3.22Å; H737-G739 PolarHBondContact ND1-O 3.26Å; H737-G739 PolarHBondContact O-N 2.81Å; H737-R740 HydrophobicContact CB-CB 3.97Å
738P50.3Low42.4Very low49 Ų4989.1 Ų89.132%0.31850%0.498SS..THydrogen-bonded Turntrans-65.614.4-17627.4-36.5000115.4T357 F680T357-P738 PolarHBondContact OG1-O 2.84Å; F680-P738 HydrophobicContact CE1-CG 4.39Å
739G45.6Very low43.8Very low9 Ų983.7 Ų83.79%0.09348%0.484CS..THydrogen-bonded Turntrans-179.954.2-170.200000112.3D358 W360 G361 H737D358-G739 WeakPolarHBondContact O-CA 3.29Å; W360-G739 CarbonylContact C-O 2.95Å; G361-G739 WeakPolarHBondContact CA-O 3.33Å; G361-G739 PolarHBondContact N-O 3.36Å; H737-G739 PolarHBondContact ND1-N 3.22Å; H737-G739 PolarHBondContact ND1-O 3.26Å; H737-G739 PolarHBondContact O-N 2.81Å
740R51Low45.3Very low104 Ų10482 Ų8239%0.39246%0.464SS..  trans-135.794.7170.7-163.4172.7-164.6-134.4-0.1110.8H737H737-R740 HydrophobicContact CB-CB 3.97Å
741K48.8Very low46.6Very low127 Ų12776.3 Ų76.355%0.55243%0.429SS*.  trans-60.3135.4134.3-85.4179.1-176.6143.30106.4D359 A743D359-K741 PolarHBondContact O-N 2.67Å; D359-K741 WeakPolarHBondContact OD2-CE 3.27Å; D359-K741 IonicContact OD2-NZ 3.33Å; D359-K741 PolarHBondContact OD2-NZ 3.24Å; K741-A743 PolarHBondContact O-N 2.83Å; K741-A743 VanDerWaalsContact O-N 3.08Å
742L48.4Very low47.8Very low93 Ų9372 Ų7249%0.48739%0.393SS..  trans-54.3122167.8-169.173.9000106E744L742-E744 PolarHBondContact O-N 2.83Å
743A51.1Low49Very low12 Ų1269 Ų6910%0.09937%0.373CS..  trans-63.1110-178.500000107.4L641 K741L641-A743 HydrophobicContact CD2-CB 3.77Å; K741-A743 PolarHBondContact O-N 2.83Å; K741-A743 VanDerWaalsContact O-N 3.08Å
744E51.6Low50.2Low101 Ų10165.4 Ų65.447%0.47236%0.358SS..  trans-75.8153.7-170-73-59.3157.200109.2L742 D746 D747L742-E744 PolarHBondContact O-N 2.83Å; E744-D746 PolarHBondContact O-N 3.03Å; E744-D747 PolarHBondContact N-OD2 2.99Å; E744-D747 WeakPolarHBondContact O-CB 3.26Å; E744-D747 PolarHBondContact O-N 3.04Å
745P52Low51.2Low73 Ų7363.6 Ų63.647%0.47434%0.344SS..Hα-helixtrans-52-29.8173.1-26.535.7000112.8W748 N749P745-W748 WeakPolarHBondContact O-CB 3.33Å; P745-W748 PolarHBondContact O-N 3.14Å; P745-N749 PolarHBondContact O-N 2.86Å; P745-N749 VanDerWaalsContact O-N 3.11Å; P745-N749 PolarHBondContact O-ND2 2.95Å
746D57.3Low52.1Low102 Ų10267.5 Ų67.555%0.54535%0.352SS..Hα-helixtrans-69.4-26.7176.6-71.9-25.8000114.5E744 W748 N749 Q750E744-D746 PolarHBondContact O-N 3.03Å; D746-W748 VanDerWaalsContact C-N 3.29Å; D746-N749 PolarHBondContact O-N 3.11Å; D746-N749 PolarHBondContact OD1-ND2 3.12Å; D746-Q750 VanDerWaalsContact O-CG 3.3Å; D746-Q750 WeakPolarHBondContact O-CG 3.48Å; D746-Q750 PolarHBondContact O-N 3.02Å; D746-Q750 PolarHBondContact O-NE2 3.37Å
747D58Low52.8Low33 Ų3366.8 Ų66.818%0.17635%0.346CS..Hα-helixtrans-64.5-39.8170.1-69.2-42.1000110.2W360 E744 Q750 I751W360-D747 HydrophobicContact CH2-CB 4.4Å; W360-D747 HydrophobicContact CZ2-CB 4.13Å; E744-D747 PolarHBondContact N-OD2 2.99Å; E744-D747 WeakPolarHBondContact O-CB 3.26Å; E744-D747 PolarHBondContact O-N 3.04Å; D747-Q750 PolarHBondContact O-N 3.07Å; D747-I751 WeakPolarHBondContact O-CB 3.47Å; D747-I751 WeakPolarHBondContact O-CD1 3.4Å; D747-I751 VanDerWaalsContact O-CG1 3.3Å; D747-I751 WeakPolarHBondContact O-CG1 3.27Å; D747-I751 PolarHBondContact O-N 2.63Å
748W57.6Low52.7Low51 Ų5166.8 Ų66.819%0.19335%0.347CS..Hα-helixtrans-64.7-42.4174.6-136.299.6000111.1L641 Y646 N647 P745 D746 Q750 I751 A752L641-W748 HydrophobicContact CD1-CG 4.26Å; Y646-W748 PolarHBondContact O-NE1 2.87Å; N647-W748 HydrophobicContact CB-CD2 4.44Å; N647-W748 HydrophobicContact CB-CH2 3.53Å; N647-W748 HydrophobicContact CB-CZ2 3.3Å; N647-W748 HydrophobicContact CB-CZ3 4.11Å; N647-W748 WeakPolarHBondContact ND2-CH2 3.32Å; P745-W748 WeakPolarHBondContact O-CB 3.33Å; P745-W748 PolarHBondContact O-N 3.14Å; D746-W748 VanDerWaalsContact C-N 3.29Å; W748-Q750 PolarHBondContact O-N 3.35Å; W748-I751 PolarHBondContact O-N 3.34Å; W748-A752 HydrophobicContact CE3-CB 3.52Å; W748-A752 HydrophobicContact CH2-CB 4.39Å; W748-A752 HydrophobicContact CZ3-CB 3.4Å; W748-A752 WeakPolarHBondContact O-CA 3.39Å; W748-A752 WeakPolarHBondContact O-CB 3.46Å; W748-A752 PolarHBondContact O-N 2.89Å
749N55.4Low52.3Low103 Ų10365.8 Ų65.855%0.55135%0.346SS*.Hα-helixtrans-60.7-43177.1-70.4-36.8000112.3P745 D746 G753P745-N749 PolarHBondContact O-N 2.86Å; P745-N749 VanDerWaalsContact O-N 3.11Å; P745-N749 PolarHBondContact O-ND2 2.95Å; D746-N749 PolarHBondContact O-N 3.11Å; D746-N749 PolarHBondContact OD1-ND2 3.12Å; N749-G753 PolarHBondContact O-N 2.93Å
750Q61.2Low52.3Low80 Ų8070.7 Ų70.737%0.37437%0.37SS..Hα-helixtrans-64.5-47.3176.6-71.217373.200112.1D746 D747 W748 G753 G754 I812D746-Q750 VanDerWaalsContact O-CG 3.3Å; D746-Q750 WeakPolarHBondContact O-CG 3.48Å; D746-Q750 PolarHBondContact O-N 3.02Å; D746-Q750 PolarHBondContact O-NE2 3.37Å; D747-Q750 PolarHBondContact O-N 3.07Å; W748-Q750 PolarHBondContact O-N 3.35Å; Q750-G753 PolarHBondContact O-N 2.71Å; Q750-G754 PolarHBondContact O-N 3.36Å; Q750-I812 HydrophobicContact CB-CD1 4.35Å
751I58.7Low51.9Low8 Ų869.5 Ų69.54%0.04137%0.37CS..Hα-helixtrans-68.7-39.9-180-69.1166.1000111.2W360 R637 A638 L641 D747 W748 G754 F755W360-I751 HydrophobicContact CH2-CD1 3.64Å; W360-I751 HydrophobicContact CZ2-CD1 4Å; R637-I751 HydrophobicContact CB-CD1 3.88Å; A638-I751 HydrophobicContact CB-CG2 3.78Å; L641-I751 HydrophobicContact CD1-CD1 3.63Å; D747-I751 WeakPolarHBondContact O-CB 3.47Å; D747-I751 WeakPolarHBondContact O-CD1 3.4Å; D747-I751 VanDerWaalsContact O-CG1 3.3Å; D747-I751 WeakPolarHBondContact O-CG1 3.27Å; D747-I751 PolarHBondContact O-N 2.63Å; W748-I751 PolarHBondContact O-N 3.34Å; I751-G754 CarbonylContact O-C 3.41Å; I751-G754 WeakPolarHBondContact O-CA 3.34Å; I751-G754 PolarHBondContact O-N 3.1Å; I751-G754 VanDerWaalsContact O-N 3.09Å; I751-F755 HydrophobicContact CG2-CD2 3.87Å; I751-F755 HydrophobicContact CG2-CE2 4.11Å; I751-F755 PolarHBondContact O-N 3.09Å
752A53.6Low51.4Low12 Ų1264.2 Ų64.210%0.09935%0.35CS..Hα-helixtrans-65.1-36.9175.300000112.8W748 G754 F755 K756W748-A752 HydrophobicContact CE3-CB 3.52Å; W748-A752 HydrophobicContact CH2-CB 4.39Å; W748-A752 HydrophobicContact CZ3-CB 3.4Å; W748-A752 WeakPolarHBondContact O-CA 3.39Å; W748-A752 WeakPolarHBondContact O-CB 3.46Å; W748-A752 PolarHBondContact O-N 2.89Å; A752-G754 VanDerWaalsContact C-N 3.27Å; A752-G754 PolarHBondContact O-N 3.13Å; A752-F755 PolarHBondContact O-N 3.36Å; A752-K756 VanDerWaalsContact O-CB 3.31Å; A752-K756 WeakPolarHBondContact O-CB 3.19Å; A752-K756 WeakPolarHBondContact O-CG 3.06Å; A752-K756 PolarHBondContact O-N 2.86Å
753G53Low51.1Low40 Ų4062.1 Ų62.141%0.41235%0.345SS..Hα-helixtrans-56.5-45.916900000110.6N749 Q750 K757N749-G753 PolarHBondContact O-N 2.93Å; Q750-G753 PolarHBondContact O-N 2.71Å; G753-K757 WeakPolarHBondContact O-CB 3.47Å; G753-K757 PolarHBondContact O-N 2.66Å
754G56.2Low50.7Low36 Ų3665.8 Ų65.837%0.37136%0.363SS..Hα-helixtrans-57.6-52.1171.800000113.5Q750 I751 A752 K757 L758Q750-G754 PolarHBondContact O-N 3.36Å; I751-G754 CarbonylContact O-C 3.41Å; I751-G754 WeakPolarHBondContact O-CA 3.34Å; I751-G754 PolarHBondContact O-N 3.1Å; I751-G754 VanDerWaalsContact O-N 3.09Å; A752-G754 VanDerWaalsContact C-N 3.27Å; A752-G754 PolarHBondContact O-N 3.13Å; G754-K757 PolarHBondContact O-N 3.35Å; G754-L758 WeakPolarHBondContact O-CB 3.43Å; G754-L758 PolarHBondContact O-N 3.4Å
755F50.7Low50.2Low39 Ų3964.1 Ų64.117%0.17136%0.356CS..Hα-helixtrans-69.6-38.2-177.9-91.8-84.4000114.1I554 I634 Y635 A638 I751 A752 L758 G759I554-F755 HydrophobicContact CG2-CD1 4.37Å; I554-F755 HydrophobicContact CG2-CE1 4.26Å; I634-F755 HydrophobicContact CG2-CD2 4.39Å; I634-F755 HydrophobicContact CG2-CE2 3.75Å; I634-F755 HydrophobicContact CG2-CZ 4.49Å; Y635-F755 HydrophobicContact CD2-CZ 4.42Å; A638-F755 HydrophobicContact CB-CD2 3.99Å; A638-F755 HydrophobicContact CB-CE2 3.34Å; A638-F755 HydrophobicContact CB-CZ 3.88Å; I751-F755 HydrophobicContact CG2-CD2 3.87Å; I751-F755 HydrophobicContact CG2-CE2 4.11Å; I751-F755 PolarHBondContact O-N 3.09Å; A752-F755 PolarHBondContact O-N 3.36Å; F755-L758 PolarHBondContact O-N 3.28Å; F755-G759 PolarHBondContact O-N 3.47Å
756K50.6Low49.4Very low154 Ų15462.5 Ų62.567%0.6735%0.352SS*.Hα-helixtrans-65.6-39.7171.7-75.3179.3177.7174.30110.8A752 G759 N760A752-K756 VanDerWaalsContact O-CB 3.31Å; A752-K756 WeakPolarHBondContact O-CB 3.19Å; A752-K756 WeakPolarHBondContact O-CG 3.06Å; A752-K756 PolarHBondContact O-N 2.86Å; K756-G759 PolarHBondContact O-N 3.37Å; K756-N760 VanDerWaalsContact O-CB 3.22Å; K756-N760 WeakPolarHBondContact O-CB 3.48Å; K756-N760 PolarHBondContact O-N 3.29Å; K756-N760 PolarHBondContact O-ND2 3.31Å; K756-N760 PolarHBondContact O-OD1 2.93Å
757K52Low48.5Very low148 Ų14866.5 Ų66.564%0.64336%0.36SS*.Hα-helixtrans-66.2-42.7175.3-166.7174.3-174.4178.90111.6G753 G754 N760 M761G753-K757 WeakPolarHBondContact O-CB 3.47Å; G753-K757 PolarHBondContact O-N 2.66Å; G754-K757 PolarHBondContact O-N 3.35Å; K757-N760 PolarHBondContact O-N 3.26Å; K757-M761 HydrophobicContact CG-SD 4.18Å; K757-M761 VanDerWaalsContact O-CB 3.32Å; K757-M761 WeakPolarHBondContact O-CB 3.47Å; K757-M761 WeakPolarHBondContact O-CG 3.37Å; K757-M761 PolarHBondContact O-N 3.38Å
758L43.1Very low47.7Very low28 Ų2872.4 Ų72.415%0.14738%0.379CS..Hα-helixtrans-63.8-45.6174.4-173.270000111.7F558 G754 F755 M761 A762F558-L758 HydrophobicContact CD2-CD2 4.18Å; G754-L758 WeakPolarHBondContact O-CB 3.43Å; G754-L758 PolarHBondContact O-N 3.4Å; F755-L758 PolarHBondContact O-N 3.28Å; L758-M761 PolarHBondContact O-N 2.94Å; L758-A762 VanDerWaalsContact O-CB 3.3Å; L758-A762 WeakPolarHBondContact O-CB 3.15Å; L758-A762 PolarHBondContact O-N 3Å
759G42.8Very low46.7Very low29 Ų2974.9 Ų74.930%0.29939%0.391SS..Hα-helixtrans-63-41.8176.600000112.6F755 K756 A763F755-G759 PolarHBondContact O-N 3.47Å; K756-G759 PolarHBondContact O-N 3.37Å; G759-A763 WeakPolarHBondContact O-CB 3.47Å; G759-A763 PolarHBondContact O-N 2.92Å
760N46.2Very low45.7Very low111 Ų11174.8 Ų74.859%0.59439%0.394SS*.Hα-helixtrans-67.1-42.2174.1-71.5-10.9000111.5K756 K757 A763 D764K756-N760 VanDerWaalsContact O-CB 3.22Å; K756-N760 WeakPolarHBondContact O-CB 3.48Å; K756-N760 PolarHBondContact O-N 3.29Å; K756-N760 PolarHBondContact O-ND2 3.31Å; K756-N760 PolarHBondContact O-OD1 2.93Å; K757-N760 PolarHBondContact O-N 3.26Å; N760-A763 PolarHBondContact O-N 3.06Å; N760-D764 WeakPolarHBondContact O-CB 3.41Å; N760-D764 PolarHBondContact O-N 2.71Å
761M41.8Very low44.4Very low80 Ų8074 Ų7439%0.39440%0.398SS..Hα-helixtrans-64.7-42175.8-74.8175.169.200112.1K757 L758 D764 Q765K757-M761 HydrophobicContact CG-SD 4.18Å; K757-M761 VanDerWaalsContact O-CB 3.32Å; K757-M761 WeakPolarHBondContact O-CB 3.47Å; K757-M761 WeakPolarHBondContact O-CG 3.37Å; K757-M761 PolarHBondContact O-N 3.38Å; L758-M761 PolarHBondContact O-N 2.94Å; M761-D764 PolarHBondContact O-N 3.24Å; M761-Q765 VanDerWaalsContact O-CB 3.26Å; M761-Q765 WeakPolarHBondContact O-CB 3.34Å; M761-Q765 VanDerWaalsContact O-CG 3.28Å; M761-Q765 WeakPolarHBondContact O-CG 3.4Å; M761-Q765 PolarHBondContact O-N 3.29Å
762A39.1Very low43.5Very low16 Ų1678.5 Ų78.513%0.13242%0.419CS..Hα-helixtrans-67.6-36.1174.800000112.1L758 G766L758-A762 VanDerWaalsContact O-CB 3.3Å; L758-A762 WeakPolarHBondContact O-CB 3.15Å; L758-A762 PolarHBondContact O-N 3Å; A762-G766 PolarHBondContact O-N 2.9Å
763A40.7Very low42.5Very low48 Ų4880 Ų8040%0.39744%0.436SS..Hα-helixtrans-69.8-41174.300000112.4G759 N760 R767G759-A763 WeakPolarHBondContact O-CB 3.47Å; G759-A763 PolarHBondContact O-N 2.92Å; N760-A763 PolarHBondContact O-N 3.06Å; A763-R767 VanDerWaalsContact O-CB 3.28Å; A763-R767 WeakPolarHBondContact O-CB 3.28Å; A763-R767 VanDerWaalsContact O-CG 3.27Å; A763-R767 WeakPolarHBondContact O-CG 3.45Å; A763-R767 PolarHBondContact O-N 3.28Å
764D42.5Very low41.6Very low89 Ų8982.1 Ų82.148%0.47644%0.44SS..Hα-helixtrans-70.7-38.9175.8-100.69.1000111.9N760 M761 R768N760-D764 WeakPolarHBondContact O-CB 3.41Å; N760-D764 PolarHBondContact O-N 2.71Å; M761-D764 PolarHBondContact O-N 3.24Å; D764-R768 WeakPolarHBondContact O-CB 3.49Å; D764-R768 WeakPolarHBondContact O-CG 3.48Å; D764-R768 PolarHBondContact O-N 3.44Å
765Q41.5Very low40.5Very low67 Ų6783 Ų8331%0.31344%0.444SS..Hα-helixtrans-66-45.1172.2-76173.6-3400110.7M564 M761 R767 R768 F769M564-Q765 HydrophobicContact CE-CB 4.26Å; M564-Q765 VanDerWaalsContact CE-OE1 3.3Å; M761-Q765 VanDerWaalsContact O-CB 3.26Å; M761-Q765 WeakPolarHBondContact O-CB 3.34Å; M761-Q765 VanDerWaalsContact O-CG 3.28Å; M761-Q765 WeakPolarHBondContact O-CG 3.4Å; M761-Q765 PolarHBondContact O-N 3.29Å; Q765-R767 PolarHBondContact O-N 3.05Å; Q765-R768 PolarHBondContact O-N 3.01Å; Q765-F769 WeakPolarHBondContact O-CB 3.45Å; Q765-F769 WeakPolarHBondContact O-CD2 3.36Å; Q765-F769 PolarHBondContact O-N 3.19Å
766G35.3Very low39.5Very low38 Ų3884.4 Ų84.439%0.39246%0.459SS..Hα-helixtrans-59.2-45.8174.300000112.6A762 F769 V770A762-G766 PolarHBondContact O-N 2.9Å; G766-F769 PolarHBondContact O-N 2.54Å; G766-V770 WeakPolarHBondContact O-CG2 3.38Å; G766-V770 PolarHBondContact O-N 2.68Å
767R37.8Very low38.5Very low187 Ų18784.4 Ų84.471%0.70647%0.465SS*.Hα-helixtrans-63.8-42.3174.5-77.8178.2178.3-166.5-0.1112.2A763 Q765 V770 S771A763-R767 VanDerWaalsContact O-CB 3.28Å; A763-R767 WeakPolarHBondContact O-CB 3.28Å; A763-R767 VanDerWaalsContact O-CG 3.27Å; A763-R767 WeakPolarHBondContact O-CG 3.45Å; A763-R767 PolarHBondContact O-N 3.28Å; Q765-R767 PolarHBondContact O-N 3.05Å; R767-V770 PolarHBondContact O-N 3.06Å; R767-S771 VanDerWaalsContact O-CB 3.31Å; R767-S771 WeakPolarHBondContact O-CB 3.43Å; R767-S771 PolarHBondContact O-N 3.46Å; R767-S771 PolarHBondContact O-OG 3.13Å
768R41.8Very low37.6Very low156 Ų15685.3 Ų85.359%0.58947%0.474SS*.Hα-helixtrans-68.4-37.6178.2-76.9174.2175.7-126.6-0.5112.5D764 Q765 S771 Q772D764-R768 WeakPolarHBondContact O-CB 3.49Å; D764-R768 WeakPolarHBondContact O-CG 3.48Å; D764-R768 PolarHBondContact O-N 3.44Å; Q765-R768 PolarHBondContact O-N 3.01Å; R768-S771 WeakPolarHBondContact CA-OG 3.4Å; R768-S771 PolarHBondContact O-N 2.85Å; R768-S771 PolarHBondContact O-OG 2.79Å; R768-Q772 WeakPolarHBondContact O-CA 3.28Å; R768-Q772 WeakPolarHBondContact O-CB 3.37Å; R768-Q772 VanDerWaalsContact O-CG 3.24Å; R768-Q772 WeakPolarHBondContact O-CG 3.43Å; R768-Q772 PolarHBondContact O-N 3.37Å
769F35.8Very low37Very low103 Ų10392.4 Ų92.445%0.45250%0.503SS..Hα-helixtrans-69.7-36.5173.9-92-75.8000112.3M564 I610 Q765 G766 G773M564-F769 HydrophobicContact SD-CD2 4.46Å; M564-F769 HydrophobicContact SD-CE2 4.09Å; I610-F769 HydrophobicContact CD1-CZ 4.35Å; Q765-F769 WeakPolarHBondContact O-CB 3.45Å; Q765-F769 WeakPolarHBondContact O-CD2 3.36Å; Q765-F769 PolarHBondContact O-N 3.19Å; G766-F769 PolarHBondContact O-N 2.54Å; F769-G773 WeakPolarHBondContact O-CA 3.12Å; F769-G773 PolarHBondContact O-N 2.61Å
770V34.8Very low36.3Very low101 Ų101100.3 Ų100.361%0.61253%0.53SS*.Hα-helixtrans-69.9-42.9172.1173.70000110.8G766 R767 V774G766-V770 WeakPolarHBondContact O-CG2 3.38Å; G766-V770 PolarHBondContact O-N 2.68Å; R767-V770 PolarHBondContact O-N 3.06Å; V770-V774 WeakPolarHBondContact O-CB 3.43Å; V770-V774 VanDerWaalsContact O-CG2 3.25Å; V770-V774 WeakPolarHBondContact O-CG2 3.46Å; V770-V774 PolarHBondContact O-N 3.01Å
771S34.5Very low35.3Very low65 Ų6597.4 Ų97.446%0.45553%0.526SS..Hα-helixtrans-71.5-35.8179.572.90000112.9R767 R768 A775R767-S771 VanDerWaalsContact O-CB 3.31Å; R767-S771 WeakPolarHBondContact O-CB 3.43Å; R767-S771 PolarHBondContact O-N 3.46Å; R767-S771 PolarHBondContact O-OG 3.13Å; R768-S771 WeakPolarHBondContact CA-OG 3.4Å; R768-S771 PolarHBondContact O-N 2.85Å; R768-S771 PolarHBondContact O-OG 2.79Å; S771-A775 WeakPolarHBondContact O-CB 3.22Å; S771-A775 PolarHBondContact O-N 2.93Å
772Q39Very low34.6Very low101 Ų10199 Ų9947%0.47255%0.545SS..Hα-helixtrans-76.7-38.6173.6-70.7178.8-33.500111R768 V774 A775 S776R768-Q772 WeakPolarHBondContact O-CA 3.28Å; R768-Q772 WeakPolarHBondContact O-CB 3.37Å; R768-Q772 VanDerWaalsContact O-CG 3.24Å; R768-Q772 WeakPolarHBondContact O-CG 3.43Å; R768-Q772 PolarHBondContact O-N 3.37Å; Q772-V774 VanDerWaalsContact C-N 3.29Å; Q772-V774 PolarHBondContact O-N 3.08Å; Q772-A775 PolarHBondContact O-N 3.34Å; Q772-S776 WeakPolarHBondContact O-CA 3.28Å; Q772-S776 WeakPolarHBondContact O-CB 3.5Å; Q772-S776 PolarHBondContact O-N 3.32Å; Q772-S776 PolarHBondContact O-OG 3.18Å
773G33Very low34Very low44 Ų44105.7 Ų105.745%0.45458%0.579SS.*Hα-helixtrans-61.3-35.3173.500000113.2F769F769-G773 WeakPolarHBondContact O-CA 3.12Å; F769-G773 PolarHBondContact O-N 2.61Å
774V33.9Very low33.3Very low84 Ų84113.3 Ų113.351%0.50960%0.603SS.*Hα-helixtrans-85.3-40.4176.5176.20000112.2V770 Q772 L777 M778V770-V774 WeakPolarHBondContact O-CB 3.43Å; V770-V774 VanDerWaalsContact O-CG2 3.25Å; V770-V774 WeakPolarHBondContact O-CG2 3.46Å; V770-V774 PolarHBondContact O-N 3.01Å; Q772-V774 VanDerWaalsContact C-N 3.29Å; Q772-V774 PolarHBondContact O-N 3.08Å; V774-L777 PolarHBondContact O-N 2.95Å; V774-M778 PolarHBondContact O-N 3.28Å
775A32.7Very low32.5Very low55 Ų55116.4 Ų116.446%0.45562%0.62SS.*Hα-helixtrans-72.8-35.6178.300000113.1S771 Q772 L777 M778 K779S771-A775 WeakPolarHBondContact O-CB 3.22Å; S771-A775 PolarHBondContact O-N 2.93Å; Q772-A775 PolarHBondContact O-N 3.34Å; A775-L777 PolarHBondContact O-N 2.66Å; A775-M778 PolarHBondContact O-N 2.91Å; A775-K779 VanDerWaalsContact O-CB 3.32Å; A775-K779 WeakPolarHBondContact O-CB 3.38Å; A775-K779 PolarHBondContact O-N 2.87Å; A775-K779 VanDerWaalsContact O-N 3.11Å
776S29.7Very low31.7Very low68 Ų68118.6 Ų118.648%0.47664%0.642SS.*Hα-helixtrans-73.8-11.9172.6-63.70000112.9Q772 F780Q772-S776 WeakPolarHBondContact O-CA 3.28Å; Q772-S776 WeakPolarHBondContact O-CB 3.5Å; Q772-S776 PolarHBondContact O-N 3.32Å; Q772-S776 PolarHBondContact O-OG 3.18Å; S776-F780 WeakPolarHBondContact O-CD2 3.15Å; S776-F780 WeakPolarHBondContact O-CE2 3.41Å
777L31Very low31.4Very low155 Ų155123.3 Ų123.381%0.81266%0.664SS**Hα-helixtrans-88-14.7168.5-132.878.5000113.4V774 A775V774-L777 PolarHBondContact O-N 2.95Å; A775-L777 PolarHBondContact O-N 2.66Å
778M31.8Very low30.9Very low166 Ų166124.4 Ų124.482%0.81867%0.674SS**Hα-helixtrans-115.84.1-176.9-69.5-170.4170.400114.3V774 A775V774-M778 PolarHBondContact O-N 3.28Å; A775-M778 PolarHBondContact O-N 2.91Å
779K30.2Very low30.2Very low177 Ų177128.4 Ų128.477%0.7769%0.689SS**  trans-138.131.4-174.7-138.5178.9-174.8-172.10115.1A775 G781A775-K779 VanDerWaalsContact O-CB 3.32Å; A775-K779 WeakPolarHBondContact O-CB 3.38Å; A775-K779 PolarHBondContact O-N 2.87Å; A775-K779 VanDerWaalsContact O-N 3.11Å; K779-G781 PolarHBondContact O-N 3.38Å
780F28.2Very low29.8Very low196 Ų196128.8 Ų128.886%0.8670%0.704SS**  trans-84.717173.4-106.1-62.7000114.4S776S776-F780 WeakPolarHBondContact O-CD2 3.15Å; S776-F780 WeakPolarHBondContact O-CE2 3.41Å
781G26.5Very low29.4Very low49 Ų49130 Ų13051%0.50572%0.718SS.*SBendtrans-124.1137.5174.700000110.8K779K779-G781 PolarHBondContact O-N 3.38Å
782S26.2Very low29.2Very low113 Ų113131.6 Ų131.679%0.7973%0.729SS**SBendtrans65146.5-179.645.80000117.7
783D27.1Very low28.9Very low158 Ų158131 Ų13185%0.84573%0.733SS**  trans83.145.5164.1-50.3-16.7000119.3
784F25.8Very low29Very low208 Ų208132.2 Ų132.291%0.91274%0.735SS**  trans-88.190.3148.4-110.9-89.1000109.8
785N25.3Very low28.9Very low154 Ų154134.2 Ų134.282%0.82474%0.743SS**  trans175.7151147.2-96.1-40000112.8
786S26.4Very low28.9Very low112 Ų112138.8 Ų138.878%0.78375%0.753SS**  trans60.9104.7-175.672.10000114.3
787T28.4Very low29.1Very low137 Ų137140.4 Ų140.484%0.8476%0.76SS**  -167.798.973.5-65.10000109.3
788F26.5Very low28.9Very low211 Ų211141.4 Ų141.493%0.92575%0.753SS**  trans-119.2112.5166.8-123.5-83.3000107.1
789R26.6Very low28.9Very low239 Ų239141.4 Ų141.490%0.90275%0.748SS**  trans-164.9137.7159.1-112.8163.9-166.1-127.9-0.1113.5
790S28.2Very low28.8Very low111 Ų111138.5 Ų138.578%0.77674%0.736SS**  trans58.492.6161.459.50000120.1
791S27.3Very low29Very low127 Ų127130.9 Ų130.989%0.88871%0.707SS**  -165156.1113.839.20000110.8
792S30.4Very low29.2Very low99 Ų99132.8 Ų132.869%0.69271%0.706SS**  trans-81.7147.2-159-165.30000114.8S794S792-S794 PolarHBondContact O-N 2.74Å
793P31.4Very low29.4Very low87 Ų87129.9 Ų129.957%0.56569%0.688SS**SBendtrans-77.6-18.6-166-15.631.5000116.4N795P793-N795 PolarHBondContact O-N 3.18Å
794S34.9Very low29.7Very low71 Ų71126.5 Ų126.550%0.49767%0.666SS.*Hα-helixtrans-71.3-32.9-162.754.30000115.5S792 W798S792-S794 PolarHBondContact O-N 2.74Å; S794-W798 VanDerWaalsContact O-CD1 3.3Å
795N32.5Very low30Very low125 Ų125122.8 Ų122.867%0.66865%0.65SS**Hα-helixtrans-84-11.2-172.3-76.5-24.3000114.7P793P793-N795 PolarHBondContact O-N 3.18Å
796F32.5Very low30.2Very low151 Ų151118.4 Ų118.466%0.66263%0.631SS**Hα-helixtrans-81.7-35.6-178.6-150.8-94.5000112F800F796-F800 HydrophobicContact CD1-CD2 4.22Å; F796-F800 AromaticContact CE1-CD2 3.74Å; F796-F800 HydrophobicContact CE1-CD2 3.74Å; F796-F800 AromaticContact CE1-CE2 3.95Å; F796-F800 HydrophobicContact CE1-CE2 3.95Å; F796-F800 PolarHBondContact O-N 2.91Å
797V33.7Very low30.6Very low102 Ų102117.9 Ų117.962%0.61862%0.623SS**Hα-helixtrans-63.9-43.8-176.4-177.60000111.9F800 S801V797-F800 PolarHBondContact O-N 3.46Å; V797-S801 PolarHBondContact O-N 3.41Å
798W27.6Very low30.9Very low177 Ų177116.7 Ų116.767%0.6762%0.615SS**Hα-helixtrans-67.8-43.3179.8-61.9101.8000113.1S794 F800 S801 D802S794-W798 VanDerWaalsContact O-CD1 3.3Å; W798-F800 VanDerWaalsContact C-N 3.29Å; W798-F800 PolarHBondContact O-N 3.49Å; W798-S801 VanDerWaalsContact O-CB 3.26Å; W798-S801 WeakPolarHBondContact O-CB 3.44Å; W798-S801 PolarHBondContact O-N 3.24Å; W798-S801 VanDerWaalsContact O-N 3.16Å; W798-D802 PolarHBondContact O-N 3Å
799K30.8Very low31.2Very low166 Ų166110.5 Ų110.572%0.72260%0.598SS**Hα-helixtrans-66-32.1176-70.5-170.6176.8-174.20112.6A803K799-A803 WeakPolarHBondContact O-CB 3.13Å; K799-A803 PolarHBondContact O-N 3.17Å; K799-A803 VanDerWaalsContact O-N 3.17Å
800F29.7Very low31.4Very low115 Ų115105 Ų10550%0.50459%0.587SS.*Hα-helixtrans-70.5-40.2171.6-127.1-100.2000111.7F796 V797 W798 D802 F804F796-F800 HydrophobicContact CD1-CD2 4.22Å; F796-F800 AromaticContact CE1-CD2 3.74Å; F796-F800 HydrophobicContact CE1-CD2 3.74Å; F796-F800 AromaticContact CE1-CE2 3.95Å; F796-F800 HydrophobicContact CE1-CE2 3.95Å; F796-F800 PolarHBondContact O-N 2.91Å; V797-F800 PolarHBondContact O-N 3.46Å; W798-F800 VanDerWaalsContact C-N 3.29Å; W798-F800 PolarHBondContact O-N 3.49Å; F800-D802 PolarHBondContact O-N 3.45Å; F800-F804 AromaticContact CD1-CD2 3.84Å; F800-F804 HydrophobicContact CD1-CD2 3.84Å; F800-F804 AromaticContact CD1-CE2 3.94Å; F800-F804 HydrophobicContact CD1-CE2 3.94Å; F800-F804 HydrophobicContact CE1-CD2 4.02Å; F800-F804 AromaticContact CE1-CE2 3.66Å; F800-F804 HydrophobicContact CE1-CE2 3.66Å; F800-F804 WeakPolarHBondContact O-CB 3.48Å; F800-F804 PolarHBondContact O-N 2.97Å
801S32.5Very low31.5Very low36 Ų36104 Ų10425%0.25258%0.578SS.*Hα-helixtrans-52.4-50.8171.3146.50000111.6V797 W798 F804 K805V797-S801 PolarHBondContact O-N 3.41Å; W798-S801 VanDerWaalsContact O-CB 3.26Å; W798-S801 WeakPolarHBondContact O-CB 3.44Å; W798-S801 PolarHBondContact O-N 3.24Å; W798-S801 VanDerWaalsContact O-N 3.16Å; S801-F804 CarbonylContact O-C 3.59Å; S801-F804 PolarHBondContact O-N 2.87Å; S801-K805 WeakPolarHBondContact O-CG 3.48Å; S801-K805 PolarHBondContact O-N 3.02Å
802D29.5Very low31.6Very low90 Ų90101.2 Ų101.248%0.48155%0.552SS.*Hα-helixtrans-77.6-31.8-171.6-61.3-21.8000112.2W798 F800 F804 K805 S806W798-D802 PolarHBondContact O-N 3Å; F800-D802 PolarHBondContact O-N 3.45Å; D802-F804 VanDerWaalsContact C-N 3.35Å; D802-K805 PolarHBondContact O-N 2.95Å; D802-K805 IonicContact OD1-NZ 2.66Å; D802-S806 PolarHBondContact O-N 3Å
803A31.2Very low31.4Very low52 Ų52101.5 Ų101.543%0.4355%0.554SS.*Hα-helixtrans-66.6-33.6166.500000112.6K799 S806 V807K799-A803 WeakPolarHBondContact O-CB 3.13Å; K799-A803 PolarHBondContact O-N 3.17Å; K799-A803 VanDerWaalsContact O-N 3.17Å; A803-S806 PolarHBondContact O-OG 3.39Å; A803-V807 WeakPolarHBondContact O-CG2 3.44Å; A803-V807 PolarHBondContact O-N 3.34Å
804F33.4Very low31.2Very low87 Ų87100.4 Ų100.438%0.38254%0.543SS..Hα-helixtrans-74.6-36.8173.6-106.8-104000112.5F800 S801 D802 S806 V807 V808F800-F804 AromaticContact CD1-CD2 3.84Å; F800-F804 HydrophobicContact CD1-CD2 3.84Å; F800-F804 AromaticContact CD1-CE2 3.94Å; F800-F804 HydrophobicContact CD1-CE2 3.94Å; F800-F804 HydrophobicContact CE1-CD2 4.02Å; F800-F804 AromaticContact CE1-CE2 3.66Å; F800-F804 HydrophobicContact CE1-CE2 3.66Å; F800-F804 WeakPolarHBondContact O-CB 3.48Å; F800-F804 PolarHBondContact O-N 2.97Å; S801-F804 CarbonylContact O-C 3.59Å; S801-F804 PolarHBondContact O-N 2.87Å; D802-F804 VanDerWaalsContact C-N 3.35Å; F804-S806 VanDerWaalsContact C-N 3.28Å; F804-S806 PolarHBondContact O-N 3.4Å; F804-V807 CarbonylContact O-C 3.37Å; F804-V807 PolarHBondContact O-N 3.26Å; F804-V808 HydrophobicContact CD1-CG2 4.34Å; F804-V808 WeakPolarHBondContact O-CB 3.38Å; F804-V808 WeakPolarHBondContact O-CG2 3.14Å; F804-V808 PolarHBondContact O-N 2.81Å
805K31.5Very low30.8Very low130 Ų130101.8 Ų101.857%0.56555%0.553SS**Hα-helixtrans-55.9-44.8172-78.3173.9-175.3165.90110S801 D802 V807 V808 S809S801-K805 WeakPolarHBondContact O-CG 3.48Å; S801-K805 PolarHBondContact O-N 3.02Å; D802-K805 PolarHBondContact O-N 2.95Å; D802-K805 IonicContact OD1-NZ 2.66Å; K805-V807 VanDerWaalsContact C-N 3.26Å; K805-V807 PolarHBondContact O-N 3.01Å; K805-V808 PolarHBondContact O-N 2.82Å; K805-S809 WeakPolarHBondContact O-CA 3.2Å; K805-S809 WeakPolarHBondContact O-CB 3.16Å; K805-S809 PolarHBondContact O-N 3.19Å; K805-S809 PolarHBondContact O-OG 3.46Å
806S30.3Very low30.6Very low61 Ų61100.8 Ų100.843%0.42756%0.555SS.*Hα-helixtrans-69.3-17.4176.376.30000115.2D802 A803 F804 N810D802-S806 PolarHBondContact O-N 3Å; A803-S806 PolarHBondContact O-OG 3.39Å; F804-S806 VanDerWaalsContact C-N 3.28Å; F804-S806 PolarHBondContact O-N 3.4Å; S806-N810 PolarHBondContact O-ND2 3.48Å
807V33.5Very low30.4Very low101 Ų10199.3 Ų99.361%0.61256%0.561SS**Hα-helixtrans-94.4-26.3176.9171.60000112.2A803 F804 K805A803-V807 WeakPolarHBondContact O-CG2 3.44Å; A803-V807 PolarHBondContact O-N 3.34Å; F804-V807 CarbonylContact O-C 3.37Å; F804-V807 PolarHBondContact O-N 3.26Å; K805-V807 VanDerWaalsContact C-N 3.26Å; K805-V807 PolarHBondContact O-N 3.01Å
808V35.8Very low30.3Very low112 Ų112102 Ų10268%0.67957%0.57SS**Hα-helixtrans-88.1-29.9173.1176.80000111.2F804 K805 N810F804-V808 HydrophobicContact CD1-CG2 4.34Å; F804-V808 WeakPolarHBondContact O-CB 3.38Å; F804-V808 WeakPolarHBondContact O-CG2 3.14Å; F804-V808 PolarHBondContact O-N 2.81Å; K805-V808 PolarHBondContact O-N 2.82Å; V808-N810 PolarHBondContact O-N 3.23Å
809S32.9Very low30.4Very low82 Ų82101.3 Ų101.357%0.57358%0.579SS**SBendtrans-8410.1174.182.30000114K805 P811K805-S809 WeakPolarHBondContact O-CA 3.2Å; K805-S809 WeakPolarHBondContact O-CB 3.16Å; K805-S809 PolarHBondContact O-N 3.19Å; K805-S809 PolarHBondContact O-OG 3.46Å; S809-P811 VanDerWaalsContact O-CD 3.23Å; S809-P811 WeakPolarHBondContact O-CD 3.39Å
810N30.2Very low30.4Very low123 Ų12398.2 Ų98.266%0.65858%0.576SS**  trans-111.167.9167.3-86.8-44.1000109.9S806 V808S806-N810 PolarHBondContact O-ND2 3.48Å; V808-N810 PolarHBondContact O-N 3.23Å
811P30.9Very low30.4Very low90 Ų90100.8 Ų100.858%0.58459%0.594SS**  trans-61.4142.7152.531.9-31.7000107.6S809 S813S809-P811 VanDerWaalsContact O-CD 3.23Å; S809-P811 WeakPolarHBondContact O-CD 3.39Å; P811-S813 PolarHBondContact O-N 3.02Å; P811-S813 VanDerWaalsContact O-N 3.12Å
812I29.3Very low30.3Very low69 Ų69106.6 Ų106.635%0.35462%0.617SS.*  trans-52.2123.3165.5-74.9166000107.3Q750 I814Q750-I812 HydrophobicContact CB-CD1 4.35Å; I812-I814 PolarHBondContact O-N 2.65Å
813S26Very low30.4Very low105 Ų105108.6 Ų108.673%0.73463%0.632SS**  trans-66.198.4-163.9510000112.1P811P811-S813 PolarHBondContact O-N 3.02Å; P811-S813 VanDerWaalsContact O-N 3.12Å
814I27.4Very low30.4Very low63 Ų63111.5 Ų111.532%0.32365%0.645SS.*  trans-114.9119.3159.8-61.4176.1000106.2D359 I812 S816D359-I814 HydrophobicContact CB-CD1 4.45Å; D359-I814 HydrophobicContact CB-CG2 4.15Å; I812-I814 PolarHBondContact O-N 2.65Å; I814-S816 PolarHBondContact O-N 2.97Å
815S25.5Very low30.2Very low101 Ų101111 Ų11171%0.70667%0.665SS**  trans-75.3119.5-165.847.30000113.2
816S27.6Very low30.3Very low104 Ų104111.1 Ų111.173%0.72768%0.676SS**  trans-146.2136.2145.951.20000109.2I814 I818I814-S816 PolarHBondContact O-N 2.97Å; S816-I818 PolarHBondContact O-N 3.16Å
817P30.1Very low30.4Very low120 Ų120117.6 Ų117.678%0.77970%0.697SS**  trans-80.2124-171.930.6-33.4000111.4
818I30.8Very low30.5Very low159 Ų159118.5 Ų118.582%0.81571%0.707SS**  trans-82.8115.8163.6-63.8170.1000107.1S816 P820S816-I818 PolarHBondContact O-N 3.16Å; I818-P820 WeakPolarHBondContact O-CD 3.3Å
819L28.6Very low30.3Very low162 Ų162121.3 Ų121.385%0.84871%0.713SS**  trans-73123168.5-81.6165.8000109.6
820P32.7Very low30.2Very low101 Ų101122.1 Ų122.166%0.65672%0.719SS**  trans-80.9128.1168.730.9-28.4000109.9I818 E822I818-P820 WeakPolarHBondContact O-CD 3.3Å; P820-E822 PolarHBondContact O-N 3.1Å
821L29.7Very low30.4Very low169 Ų169124 Ų12489%0.88573%0.727SS**  trans-77.687.8170.3-168.877.1000109.2T823L821-T823 PolarHBondContact O-N 3.32Å
822E29.2Very low30.2Very low158 Ų158124.7 Ų124.774%0.73873%0.734SS**  trans-71.6109.5174.3-75.2-165.6146.900111.5P820 T824P820-E822 PolarHBondContact O-N 3.1Å; E822-T824 HydrophobicContact CB-CG2 4.46Å; E822-T824 PolarHBondContact O-N 2.82Å; E822-T824 VanDerWaalsContact O-N 3.17Å
823T31.6Very low30.5Very low131 Ų131126.5 Ų126.580%0.80475%0.751SS**  trans-79.985.3165.939.40000110.4L821 G825L821-T823 PolarHBondContact O-N 3.32Å; T823-G825 PolarHBondContact O-N 2.96Å
824T32.4Very low30.8Very low114 Ų114129.8 Ų129.870%0.69975%0.754SS**  trans-72.989.3175.856.20000111.9E822 T826E822-T824 HydrophobicContact CB-CG2 4.46Å; E822-T824 PolarHBondContact O-N 2.82Å; E822-T824 VanDerWaalsContact O-N 3.17Å; T824-T826 PolarHBondContact O-N 2.72Å
825G28.5Very low31.2Very low77 Ų77133.6 Ų133.679%0.79477%0.774SS**  trans-81.799.3165.300000111.4T823T823-G825 PolarHBondContact O-N 2.96Å
826T34.4Very low31.6Very low132 Ų132136 Ų13681%0.8178%0.779SS**  trans-86.9118.6172.843.40000111.2T824T824-T826 PolarHBondContact O-N 2.72Å
827K31.1Very low32.1Very low197 Ų197137.7 Ų137.786%0.85779%0.785SS**  trans-71.4138.7164.1-68.2178.7176.4-178.40109.7
828S34.8Very low32.5Very low119 Ų119137 Ų13783%0.83278%0.78SS**  trans-137.3122.2155.9580000108.8
829E33.1Very low32.9Very low171 Ų171138.4 Ų138.480%0.79978%0.78SS**  trans-86.1141.2-173.1-67.5175.3133.600112.6
830S31Very low33.4Very low100 Ų100136 Ų13670%0.69977%0.773SS**  trans76.2136.1137.3770000121.7
831I33.2Very low33.9Very low161 Ų161139.8 Ų139.883%0.82678%0.781SS**  trans87.8110.4148.3-62.4151.6000118.7
832S26.9Very low34.8Very low105 Ų105143.2 Ų143.273%0.73480%0.798SS**  trans-58.2179.9162.3-29.80000113.2
833P36.5Very low35Very low108 Ų108142.5 Ų142.570%0.70180%0.801SS**  cis-1451759.941.9-21.9000118.4
834Q31.9Very low35.2Very low173 Ų173143.1 Ų143.181%0.80880%0.801SS**  trans75.2146.6138.5-93.7-17322.700124
835I34.9Very low35.4Very low143 Ų143144.7 Ų144.773%0.73381%0.807SS**  trans89.798.6156.7-63.7149.9000118.7
836N33.9Very low35.8Very low152 Ų152148.7 Ų148.781%0.81381%0.808SS**  trans21.1137.9134-73.5-15.1000121.2
837V38.2Very low35.9Very low140 Ų140149.8 Ų149.885%0.84881%0.808SS**  -165.6149.2108.5142.80000108.9
838P40Very low36.2Very low106 Ų106146.6 Ų146.669%0.68880%0.804SS**  trans-106.9168.2-157.139.8-34.5000116.8
839K38.1Very low36.3Very low187 Ų187148.6 Ų148.681%0.81380%0.802SS**  trans18.6148.9145.1-53.4-177.3176.7-178.20119.1
840T39.4Very low36.5Very low112 Ų112146.8 Ų146.869%0.68780%0.803SS**  cis-176.5167.746.9-28.90000111.2
841Q42.6Very low37Very low180 Ų180150.8 Ų150.884%0.84181%0.811SS**  trans72.9135.2163.3-62.9166.8-5.200115.2
842I48.4Very low37.3Very low242 Ų242149.8 Ų149.8100%1.24181%0.81SS**  cis-109.7011.9-68.9168.2000111.3

Retrieved 842 of 842 residues in 404.8 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).