A0A077Z783_TRITR Loading...

Y phosphatase domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z783, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 519 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
1M33.8Very low63.7Low232 Ų23296.5 Ų96.5100%1.14351%0.507SS*.  0118.30-69.2175.1-133.400105.8E3M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.29Å; M1-E3 VanDerWaalsContact O-N 3.08Å
2V41.7Very low65.1Low116 Ų116101.3 Ų101.370%0.70352%0.515SS*.  trans-71.2102.9165.7-179.40000104Y4V2-Y4 PolarHBondContact O-N 3.32Å
3E51.7Low66.5Low123 Ų12396.3 Ų96.358%0.57549%0.493SS*.  trans-62.7129.4174.2-69.5-176.1157.900107.7M1 C5M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.29Å; M1-E3 VanDerWaalsContact O-N 3.08Å; E3-C5 VanDerWaalsContact C-N 3.27Å; E3-C5 CarbonylContact C-O 3.56Å; E3-C5 WeakPolarHBondContact CB-O 3.26Å; E3-C5 PolarHBondContact O-N 2.86Å
4Y60.9Low67.6Low82 Ų8294.1 Ų94.132%0.32249%0.486SS..SBendtrans-63.3-37.4-177.1178.6-99.5000111.6V2 C23 D26 T27 Y99V2-Y4 PolarHBondContact O-N 3.32Å; Y4-C23 WeakPolarHBondContact CD1-SG 3.11Å; Y4-C23 VanDerWaalsContact CE1-SG 3.57Å; Y4-D26 WeakPolarHBondContact OH-CB 3.32Å; Y4-T27 HydrophobicContact CD1-CG2 4.12Å; Y4-T27 HydrophobicContact CE1-CG2 3.34Å; Y4-Y99 AromaticContact CD2-CE1 3.69Å; Y4-Y99 HydrophobicContact CD2-CE1 3.69Å; Y4-Y99 AromaticContact CD2-CE2 3.79Å; Y4-Y99 HydrophobicContact CD2-CE2 3.79Å; Y4-Y99 AromaticContact CD2-CZ 3.26Å; Y4-Y99 WeakPolarHBondContact CD2-OH 3.49Å; Y4-Y99 HydrophobicContact CE2-CD2 4.07Å; Y4-Y99 HydrophobicContact CE2-CE1 4.04Å; Y4-Y99 AromaticContact CE2-CE2 3.23Å; Y4-Y99 HydrophobicContact CE2-CE2 3.23Å; Y4-Y99 AromaticContact CE2-CZ 3.22Å; Y4-Y99 VanDerWaalsContact CE2-OH 3.24Å; Y4-Y99 WeakPolarHBondContact CE2-OH 3.43Å; Y4-Y99 HydrophobicContact CG-CE1 4.46Å; Y4-Y99 AromaticContact CZ-CE2 3.98Å
5C66.3Low68.5Low21 Ų2197.3 Ų97.314%0.14249%0.489CS..SBendtrans-93.3146.9162.5-570000109.4E3 V9 C23E3-C5 VanDerWaalsContact C-N 3.27Å; E3-C5 CarbonylContact C-O 3.56Å; E3-C5 WeakPolarHBondContact CB-O 3.26Å; E3-C5 PolarHBondContact O-N 2.86Å; C5-V9 HydrophobicContact CB-CB 4.08Å; C5-V9 HydrophobicContact CB-CG1 4.24Å; C5-V9 WeakPolarHBondContact CB-O 3.38Å; C5-C23 WeakPolarHBondContact CA-SG 3.24Å; C5-C23 HydrophobicContact CB-CB 3.72Å; C5-C23 WeakPolarHBondContact CB-SG 3.16Å; C5-C23 WeakPolarHBondContact SG-CB 3.47Å; C5-C23 CovalentContact SG-SG 2.02Å; C5-C23 PolarHBondContact SG-SG 3.28Å
6P68.9Low68.9Low51 Ų5197.8 Ų97.833%0.33149%0.485SS..PPolyproline II helixtrans-52.6153.9168.9-20.127.7000111.9N8 V9 Y16P6-N8 PolarHBondContact O-N 3.33Å; P6-V9 HydrophobicContact CB-CB 4.26Å; P6-V9 HydrophobicContact CB-CG2 3.79Å; P6-V9 HydrophobicContact CG-CB 4.33Å; P6-V9 HydrophobicContact CG-CG2 4.03Å; P6-V9 VanDerWaalsContact O-CB 3.3Å; P6-V9 WeakPolarHBondContact O-CB 3.46Å; P6-V9 PolarHBondContact O-N 3.26Å; P6-Y16 HydrophobicContact CB-CE1 4.25Å; P6-Y16 HydrophobicContact CG-CE1 4.1Å
7P72.1Confident69.1Low89 Ų89100.2 Ų100.258%0.57850%0.499SS*.THydrogen-bonded Turntrans-56.1132.3177.720.1-30.4000110.8V9P7-V9 VanDerWaalsContact C-N 3.3Å; P7-V9 PolarHBondContact O-N 3.3Å
8N73.9Confident69.3Low170 Ų170102.8 Ų102.891%0.90951%0.507SS*.THydrogen-bonded Turntrans70.18.9-171.4-53.6-40.8000116.7P6P6-N8 PolarHBondContact O-N 3.33Å
9V75.7Confident69.7Low11 Ų1197.5 Ų97.57%0.06748%0.482CS..  trans-103.3125.3171.4-177.50000108.2C5 P6 P7 T13 Y16 S21C5-V9 HydrophobicContact CB-CB 4.08Å; C5-V9 HydrophobicContact CB-CG1 4.24Å; C5-V9 WeakPolarHBondContact CB-O 3.38Å; P6-V9 HydrophobicContact CB-CB 4.26Å; P6-V9 HydrophobicContact CB-CG2 3.79Å; P6-V9 HydrophobicContact CG-CB 4.33Å; P6-V9 HydrophobicContact CG-CG2 4.03Å; P6-V9 VanDerWaalsContact O-CB 3.3Å; P6-V9 WeakPolarHBondContact O-CB 3.46Å; P6-V9 PolarHBondContact O-N 3.26Å; P7-V9 VanDerWaalsContact C-N 3.3Å; P7-V9 PolarHBondContact O-N 3.3Å; V9-T13 HydrophobicContact CG1-CG2 4.16Å; V9-Y16 HydrophobicContact CG2-CD1 4.05Å; V9-Y16 HydrophobicContact CG2-CD2 3.33Å; V9-Y16 HydrophobicContact CG2-CE1 3.93Å; V9-Y16 HydrophobicContact CG2-CE2 3.18Å; V9-Y16 HydrophobicContact CG2-CG 3.75Å; V9-Y16 VanDerWaalsContact CG2-CZ 3.49Å; V9-S21 WeakPolarHBondContact CG1-OG 3.47Å
10T80.1Confident70Confident44 Ų4495.2 Ų95.227%0.2747%0.469SS..  trans-98163.4173610000110.5Y12 T13T10-Y12 VanDerWaalsContact CB-CE1 3.42Å; T10-Y12 HydrophobicContact CG2-CE1 3.76Å; T10-Y12 HydrophobicContact CG2-CE2 4.44Å; T10-Y12 PolarHBondContact O-N 3.41Å; T10-Y12 VanDerWaalsContact O-N 3.09Å; T10-Y12 WeakPolarHBondContact OG1-CD1 3.42Å; T10-Y12 VanDerWaalsContact OG1-CD2 3.24Å; T10-Y12 WeakPolarHBondContact OG1-CD2 3.47Å; T10-Y12 VanDerWaalsContact OG1-CE1 3.23Å; T10-Y12 WeakPolarHBondContact OG1-CE1 3.37Å; T10-Y12 WeakPolarHBondContact OG1-CE2 3.5Å; T10-T13 PolarHBondContact N-OG1 2.82Å; T10-T13 WeakPolarHBondContact O-CB 3.2Å; T10-T13 PolarHBondContact O-N 3.17Å; T10-T13 PolarHBondContact O-OG1 3.35Å; T10-T13 PolarHBondContact OG1-OG1 2.9Å
11F76.2Confident70.4Confident122 Ų12290.8 Ų90.854%0.53545%0.448SS..THydrogen-bonded Turntrans-60-20.9176.468.7-94.4000113.1F24 V28F11-F24 VanDerWaalsContact O-CD2 3.29Å; F11-F24 WeakPolarHBondContact O-CD2 3.34Å; F11-V28 HydrophobicContact CD2-CG2 4.01Å; F11-V28 WeakPolarHBondContact O-CG2 3.43Å
12Y80.1Confident72.2Confident155 Ų15582.3 Ų82.361%0.60842%0.415SS*.THydrogen-bonded Turntrans-93.81.7176.659.9-99000113.8T10 V14T10-Y12 VanDerWaalsContact CB-CE1 3.42Å; T10-Y12 HydrophobicContact CG2-CE1 3.76Å; T10-Y12 HydrophobicContact CG2-CE2 4.44Å; T10-Y12 PolarHBondContact O-N 3.41Å; T10-Y12 VanDerWaalsContact O-N 3.09Å; T10-Y12 WeakPolarHBondContact OG1-CD1 3.42Å; T10-Y12 VanDerWaalsContact OG1-CD2 3.24Å; T10-Y12 WeakPolarHBondContact OG1-CD2 3.47Å; T10-Y12 VanDerWaalsContact OG1-CE1 3.23Å; T10-Y12 WeakPolarHBondContact OG1-CE1 3.37Å; T10-Y12 WeakPolarHBondContact OG1-CE2 3.5Å; Y12-V14 PolarHBondContact O-N 3.37Å
13T82.8Confident73.9Confident36 Ų3677 Ų7722%0.22138%0.382CS..  trans-78.499.7174.7-600000109.3V9 T10 S21 F24V9-T13 HydrophobicContact CG1-CG2 4.16Å; T10-T13 PolarHBondContact N-OG1 2.82Å; T10-T13 WeakPolarHBondContact O-CB 3.2Å; T10-T13 PolarHBondContact O-N 3.17Å; T10-T13 PolarHBondContact O-OG1 3.35Å; T10-T13 PolarHBondContact OG1-OG1 2.9Å; T13-S21 WeakPolarHBondContact O-CB 3.41Å; T13-S21 PolarHBondContact O-OG 3.27Å; T13-F24 WeakPolarHBondContact O-CB 3.34Å
14V82.5Confident75.2Confident66 Ų6672.7 Ų72.740%0.436%0.362SS..  trans-69.5-45.1-173.7-178.40000112.3Y12 F20 S21 F24Y12-V14 PolarHBondContact O-N 3.37Å; V14-F20 HydrophobicContact CG1-CD1 4.03Å; V14-F20 HydrophobicContact CG1-CE1 4.02Å; V14-F20 WeakPolarHBondContact O-CA 3.38Å; V14-S21 PolarHBondContact O-N 3.08Å; V14-F24 HydrophobicContact CB-CD1 4.48Å; V14-F24 HydrophobicContact CB-CE1 4.45Å; V14-F24 HydrophobicContact CG1-CD1 4.18Å; V14-F24 HydrophobicContact CG1-CE1 3.93Å; V14-F24 HydrophobicContact CG1-CZ 4.37Å; V14-F24 HydrophobicContact CG2-CD2 4.13Å; V14-F24 HydrophobicContact CG2-CE1 4.2Å; V14-F24 HydrophobicContact CG2-CE2 3.83Å; V14-F24 HydrophobicContact CG2-CG 4.49Å; V14-F24 HydrophobicContact CG2-CZ 3.87Å
15W80.9Confident76.1Confident142 Ų14269 Ų6954%0.53835%0.348SS..EExtended strand (participates in β ladder)trans-115.8126-175.8-166.6-91.2000110.7K18 G19 F20 V154W15-K18 VanDerWaalsContact CZ2-C 3.41Å; W15-K18 WeakPolarHBondContact CZ2-O 3.39Å; W15-G19 CarbonylContact C-O 3.41Å; W15-G19 VanDerWaalsContact CA-O 3.32Å; W15-G19 WeakPolarHBondContact CA-O 3.18Å; W15-G19 VanDerWaalsContact CD2-O 3.3Å; W15-F20 HydrophobicContact CZ3-CD2 4.2Å; W15-F20 HydrophobicContact CZ3-CE2 4.09Å; W15-F20 HydrophobicContact CZ3-CZ 4.43Å; W15-V154 HydrophobicContact CH2-CG1 4.01Å; W15-V154 HydrophobicContact CZ3-CG1 4.23Å
16Y74.3Confident76.4Confident105 Ų10571.8 Ų71.841%0.41236%0.361SS..EExtended strand (participates in β ladder)trans-146.2137.5-179.6-176.6-102.1000110.3P6 V9 K18 G19P6-Y16 HydrophobicContact CB-CE1 4.25Å; P6-Y16 HydrophobicContact CG-CE1 4.1Å; V9-Y16 HydrophobicContact CG2-CD1 4.05Å; V9-Y16 HydrophobicContact CG2-CD2 3.33Å; V9-Y16 HydrophobicContact CG2-CE1 3.93Å; V9-Y16 HydrophobicContact CG2-CE2 3.18Å; V9-Y16 HydrophobicContact CG2-CG 3.75Å; V9-Y16 VanDerWaalsContact CG2-CZ 3.49Å; Y16-K18 PolarHBondContact O-N 3.09Å; Y16-G19 PolarHBondContact N-O 2.9Å; Y16-G19 CarbonylContact O-C 3.59Å; Y16-G19 PolarHBondContact O-N 3.49Å
17D72.4Confident76.9Confident138 Ų13871.4 Ų71.474%0.73836%0.358SS*.THydrogen-bonded Turntrans41.256.8-179.1-163.223.3000114.8G19D17-G19 PolarHBondContact O-N 2.93Å
18K73.8Confident77.3Confident147 Ų14769.7 Ų69.764%0.63935%0.346SS*.THydrogen-bonded Turntrans62.620.7178.8-53-179.3178.3-176.20115W15 Y16 N157W15-K18 VanDerWaalsContact CZ2-C 3.41Å; W15-K18 WeakPolarHBondContact CZ2-O 3.39Å; Y16-K18 PolarHBondContact O-N 3.09Å; K18-N157 PolarHBondContact O-ND2 3.26Å
19G76Confident77.7Confident3 Ų363.8 Ų63.83%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-149.3-174.817300000112.3W15 Y16 D17 N155W15-G19 CarbonylContact C-O 3.41Å; W15-G19 VanDerWaalsContact CA-O 3.32Å; W15-G19 WeakPolarHBondContact CA-O 3.18Å; W15-G19 VanDerWaalsContact CD2-O 3.3Å; Y16-G19 PolarHBondContact N-O 2.9Å; Y16-G19 CarbonylContact O-C 3.59Å; Y16-G19 PolarHBondContact O-N 3.49Å; D17-G19 PolarHBondContact O-N 2.93Å; G19-N155 VanDerWaalsContact CA-OD1 3.26Å; G19-N155 WeakPolarHBondContact CA-OD1 3.38Å
20F76.7Confident78Confident50 Ų5063.9 Ų63.922%0.21932%0.316CS..EExtended strand (participates in β ladder)trans-70132.1167.1-74.8-81000109.8V14 W15 A22 I25 L151 V154 N155V14-F20 HydrophobicContact CG1-CD1 4.03Å; V14-F20 HydrophobicContact CG1-CE1 4.02Å; V14-F20 WeakPolarHBondContact O-CA 3.38Å; W15-F20 HydrophobicContact CZ3-CD2 4.2Å; W15-F20 HydrophobicContact CZ3-CE2 4.09Å; W15-F20 HydrophobicContact CZ3-CZ 4.43Å; F20-A22 PolarHBondContact O-N 2.87Å; F20-A22 VanDerWaalsContact O-N 3.16Å; F20-I25 HydrophobicContact CB-CD1 3.61Å; F20-I25 HydrophobicContact CB-CG1 4.09Å; F20-L151 HydrophobicContact CD2-CD2 4.09Å; F20-L151 HydrophobicContact CE2-CD2 3.68Å; F20-L151 HydrophobicContact CZ-CD2 4.03Å; F20-V154 HydrophobicContact CD2-CB 4.21Å; F20-V154 HydrophobicContact CD2-CG1 4.17Å; F20-V154 HydrophobicContact CE2-CB 4.46Å; F20-V154 HydrophobicContact CE2-CG1 4.27Å; F20-V154 HydrophobicContact CE2-CG2 4.38Å; F20-N155 PolarHBondContact N-OD1 3.03Å; F20-N155 PolarHBondContact O-ND2 2.56Å; F20-N155 PolarHBondContact O-OD1 3.43Å
21S78.1Confident78.2Confident3 Ų369.1 Ų69.12%0.02134%0.335CS..  trans-58.9120.8174.2172.80000109.8V9 T13 V14 C23 F24 I25V9-S21 WeakPolarHBondContact CG1-OG 3.47Å; T13-S21 WeakPolarHBondContact O-CB 3.41Å; T13-S21 PolarHBondContact O-OG 3.27Å; V14-S21 PolarHBondContact O-N 3.08Å; S21-C23 PolarHBondContact O-N 3.08Å; S21-C23 PolarHBondContact OG-N 2.98Å; S21-F24 PolarHBondContact O-N 2.9Å; S21-F24 PolarHBondContact OG-N 2.99Å; S21-I25 PolarHBondContact O-N 3.4Å
22A72.1Confident78.7Confident55 Ų5566 Ų6646%0.45533%0.332SS..Hα-helixtrans-55.3-35.9173.600000111.1F20 F24 I25 D26F20-A22 PolarHBondContact O-N 2.87Å; F20-A22 VanDerWaalsContact O-N 3.16Å; A22-F24 PolarHBondContact O-N 3.4Å; A22-I25 PolarHBondContact O-N 3.29Å; A22-D26 WeakPolarHBondContact O-CB 3.44Å; A22-D26 PolarHBondContact O-N 3.41Å
23C75.7Confident79Confident3 Ų359.7 Ų59.72%0.0231%0.309CS..Hα-helixtrans-62.3-43.3176.3-157.80000112.2Y4 C5 S21 T27Y4-C23 WeakPolarHBondContact CD1-SG 3.11Å; Y4-C23 VanDerWaalsContact CE1-SG 3.57Å; C5-C23 WeakPolarHBondContact CA-SG 3.24Å; C5-C23 HydrophobicContact CB-CB 3.72Å; C5-C23 WeakPolarHBondContact CB-SG 3.16Å; C5-C23 WeakPolarHBondContact SG-CB 3.47Å; C5-C23 CovalentContact SG-SG 2.02Å; C5-C23 PolarHBondContact SG-SG 3.28Å; S21-C23 PolarHBondContact O-N 3.08Å; S21-C23 PolarHBondContact OG-N 2.98Å; C23-T27 WeakPolarHBondContact O-CB 3.39Å; C23-T27 PolarHBondContact O-N 3.18Å; C23-T27 PolarHBondContact O-OG1 3.37Å
24F80.5Confident79.3Confident34 Ų3458.9 Ų58.915%0.14931%0.307CS..Hα-helixtrans-66.8-42.2177.1174.2-100.6000112F11 T13 V14 S21 A22 V28 I29F11-F24 VanDerWaalsContact O-CD2 3.29Å; F11-F24 WeakPolarHBondContact O-CD2 3.34Å; T13-F24 WeakPolarHBondContact O-CB 3.34Å; V14-F24 HydrophobicContact CB-CD1 4.48Å; V14-F24 HydrophobicContact CB-CE1 4.45Å; V14-F24 HydrophobicContact CG1-CD1 4.18Å; V14-F24 HydrophobicContact CG1-CE1 3.93Å; V14-F24 HydrophobicContact CG1-CZ 4.37Å; V14-F24 HydrophobicContact CG2-CD2 4.13Å; V14-F24 HydrophobicContact CG2-CE1 4.2Å; V14-F24 HydrophobicContact CG2-CE2 3.83Å; V14-F24 HydrophobicContact CG2-CG 4.49Å; V14-F24 HydrophobicContact CG2-CZ 3.87Å; S21-F24 PolarHBondContact O-N 2.9Å; S21-F24 PolarHBondContact OG-N 2.99Å; A22-F24 PolarHBondContact O-N 3.4Å; F24-V28 HydrophobicContact CD2-CB 3.91Å; F24-V28 HydrophobicContact CD2-CG1 4.45Å; F24-V28 HydrophobicContact CD2-CG2 3.84Å; F24-V28 HydrophobicContact CE2-CB 3.78Å; F24-V28 HydrophobicContact CE2-CG1 3.82Å; F24-V28 HydrophobicContact CE2-CG2 3.99Å; F24-V28 HydrophobicContact CZ-CB 4.42Å; F24-V28 HydrophobicContact CZ-CG1 4.29Å; F24-V28 WeakPolarHBondContact O-CB 3.45Å; F24-V28 PolarHBondContact O-N 2.99Å; F24-I29 HydrophobicContact CD1-CD1 3.86Å; F24-I29 HydrophobicContact CD1-CG1 3.98Å; F24-I29 HydrophobicContact CE1-CD1 3.57Å; F24-I29 HydrophobicContact CE1-CG1 3.61Å; F24-I29 HydrophobicContact CZ-CG1 4.16Å; F24-I29 PolarHBondContact O-N 3.28Å
25I78.2Confident79.6Confident4 Ų457.1 Ų57.12%0.02130%0.298CS..Iπ-helixtrans-58.7-55.1176.6-70.4175.2000110.5F20 S21 A22 T27 I29 A30 L148 L151 L152F20-I25 HydrophobicContact CB-CD1 3.61Å; F20-I25 HydrophobicContact CB-CG1 4.09Å; S21-I25 PolarHBondContact O-N 3.4Å; A22-I25 PolarHBondContact O-N 3.29Å; I25-T27 VanDerWaalsContact C-N 3.35Å; I25-T27 PolarHBondContact O-N 2.99Å; I25-I29 HydrophobicContact CG1-CD1 4.06Å; I25-I29 PolarHBondContact O-N 2.97Å; I25-A30 PolarHBondContact O-N 3.45Å; I25-L148 HydrophobicContact CG2-CD1 3.67Å; I25-L151 HydrophobicContact CD1-CB 4.4Å; I25-L152 HydrophobicContact CD1-CD2 4.24Å
26D73.9Confident80.2Confident80 Ų8052 Ų5243%0.42828%0.28SS..Iπ-helixtrans-76.9-21.4-171.1-67.4-18.8000113.1Y4 A22 A30Y4-D26 WeakPolarHBondContact OH-CB 3.32Å; A22-D26 WeakPolarHBondContact O-CB 3.44Å; A22-D26 PolarHBondContact O-N 3.41Å; D26-A30 WeakPolarHBondContact O-CB 3.47Å
27T78.3Confident81.1Confident42 Ų4247 Ų4726%0.25826%0.261SS..Iπ-helixtrans-93.2-72.5173.1540000111.9Y4 C23 I25 F31Y4-T27 HydrophobicContact CD1-CG2 4.12Å; Y4-T27 HydrophobicContact CE1-CG2 3.34Å; C23-T27 WeakPolarHBondContact O-CB 3.39Å; C23-T27 PolarHBondContact O-N 3.18Å; C23-T27 PolarHBondContact O-OG1 3.37Å; I25-T27 VanDerWaalsContact C-N 3.35Å; I25-T27 PolarHBondContact O-N 2.99Å; T27-F31 WeakPolarHBondContact O-CB 3.35Å; T27-F31 PolarHBondContact O-N 3.1Å
28V81.8Confident82Confident53 Ų5344.5 Ų44.532%0.32125%0.247SC..Iπ-helixtrans-71.1-51.2-166.8-179.90000111F11 F24 A32F11-V28 HydrophobicContact CD2-CG2 4.01Å; F11-V28 WeakPolarHBondContact O-CG2 3.43Å; F24-V28 HydrophobicContact CD2-CB 3.91Å; F24-V28 HydrophobicContact CD2-CG1 4.45Å; F24-V28 HydrophobicContact CD2-CG2 3.84Å; F24-V28 HydrophobicContact CE2-CB 3.78Å; F24-V28 HydrophobicContact CE2-CG1 3.82Å; F24-V28 HydrophobicContact CE2-CG2 3.99Å; F24-V28 HydrophobicContact CZ-CB 4.42Å; F24-V28 HydrophobicContact CZ-CG1 4.29Å; F24-V28 WeakPolarHBondContact O-CB 3.45Å; F24-V28 PolarHBondContact O-N 2.99Å; V28-A32 VanDerWaalsContact O-CB 3.31Å; V28-A32 WeakPolarHBondContact O-CB 3.33Å; V28-A32 PolarHBondContact O-N 3.11Å
29I81.3Confident83Confident46 Ų4642.6 Ų42.624%0.23624%0.243CC..Iπ-helixtrans-71.3-47.5-173.3-47.5-178.7000110.6F24 I25 F31 A32 L33 L148 L151F24-I29 HydrophobicContact CD1-CD1 3.86Å; F24-I29 HydrophobicContact CD1-CG1 3.98Å; F24-I29 HydrophobicContact CE1-CD1 3.57Å; F24-I29 HydrophobicContact CE1-CG1 3.61Å; F24-I29 HydrophobicContact CZ-CG1 4.16Å; F24-I29 PolarHBondContact O-N 3.28Å; I25-I29 HydrophobicContact CG1-CD1 4.06Å; I25-I29 PolarHBondContact O-N 2.97Å; I29-F31 VanDerWaalsContact C-N 3.32Å; I29-F31 PolarHBondContact O-N 3.41Å; I29-A32 PolarHBondContact O-N 3.41Å; I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 PolarHBondContact O-N 3.45Å; I29-L148 HydrophobicContact CB-CD1 3.92Å; I29-L148 HydrophobicContact CD1-CD1 4.45Å; I29-L148 HydrophobicContact CG2-CD1 3.59Å; I29-L151 HydrophobicContact CD1-CD1 3.86Å
30A81.9Confident84Confident14 Ų1448.2 Ų48.212%0.11627%0.266CS..Hα-helixtrans-61.3-39.4177.600000112.5I25 D26 G34 Y103 L148I25-A30 PolarHBondContact O-N 3.45Å; D26-A30 WeakPolarHBondContact O-CB 3.47Å; A30-G34 PolarHBondContact O-N 2.85Å; A30-Y103 HydrophobicContact CB-CE2 4.07Å; A30-L148 HydrophobicContact CB-CD2 4.48Å
31F85.1Confident84.9Confident153 Ų15345.8 Ų45.867%0.67126%0.256SS*.Hα-helixtrans-66.4-43.3175.2178.3-98.5000112.3T27 I29 G34 S35T27-F31 WeakPolarHBondContact O-CB 3.35Å; T27-F31 PolarHBondContact O-N 3.1Å; I29-F31 VanDerWaalsContact C-N 3.32Å; I29-F31 PolarHBondContact O-N 3.41Å; F31-G34 PolarHBondContact O-N 3.38Å; F31-S35 WeakPolarHBondContact CZ-OG 3.12Å; F31-S35 VanDerWaalsContact O-CB 3.24Å; F31-S35 WeakPolarHBondContact O-CB 3.16Å; F31-S35 PolarHBondContact O-N 2.85Å; F31-S35 PolarHBondContact O-OG 2.87Å
32A87.2Confident85.8Confident56 Ų5647.7 Ų47.746%0.46327%0.265SS..Hα-helixtrans-61.9-46.8178.200000111.3V28 I29 S35 M36V28-A32 VanDerWaalsContact O-CB 3.31Å; V28-A32 WeakPolarHBondContact O-CB 3.33Å; V28-A32 PolarHBondContact O-N 3.11Å; I29-A32 PolarHBondContact O-N 3.41Å; A32-S35 PolarHBondContact O-N 3.28Å; A32-M36 WeakPolarHBondContact O-CB 3.3Å; A32-M36 PolarHBondContact O-N 3.44Å
33L86.4Confident86.8Confident24 Ų2447.5 Ų47.513%0.12626%0.264CS..Hα-helixtrans-61.4-47.6175.6176.356.2000111.8I29 S35 M36 M37 F141 S144 L148I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 PolarHBondContact O-N 3.45Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 3.32Å; L33-M36 PolarHBondContact O-N 2.93Å; L33-M37 PolarHBondContact O-N 3.37Å; L33-M37 VanDerWaalsContact O-N 3.13Å; L33-F141 HydrophobicContact CD1-CD2 3.98Å; L33-F141 HydrophobicContact CD1-CE2 4.42Å; L33-S144 WeakPolarHBondContact CD1-OG 3.29Å; L33-L148 HydrophobicContact CD2-CD2 4.03Å
34G87.8Confident87.7Confident18 Ų1847.9 Ų47.919%0.18627%0.265CS..Hα-helixtrans-63.1-40.3-18000000112.6A30 F31 L38 N110A30-G34 PolarHBondContact O-N 2.85Å; F31-G34 PolarHBondContact O-N 3.38Å; G34-L38 VanDerWaalsContact O-CB 3.32Å; G34-L38 WeakPolarHBondContact O-CB 3.24Å; G34-L38 PolarHBondContact O-N 3.4Å; G34-N110 VanDerWaalsContact CA-ND2 3.29Å; G34-N110 WeakPolarHBondContact CA-ND2 3.25Å; G34-N110 PolarHBondContact O-ND2 2.87Å; G34-N110 VanDerWaalsContact O-ND2 3.16Å
35S90.2Very high88.5Confident29 Ų2949.3 Ų49.320%0.20327%0.272CS..Hα-helixtrans-69.9-37.8177.8-59.50000112F31 A32 L33 L38 I39F31-S35 WeakPolarHBondContact CZ-OG 3.12Å; F31-S35 VanDerWaalsContact O-CB 3.24Å; F31-S35 WeakPolarHBondContact O-CB 3.16Å; F31-S35 PolarHBondContact O-N 2.85Å; F31-S35 PolarHBondContact O-OG 2.87Å; A32-S35 PolarHBondContact O-N 3.28Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 3.32Å; S35-L38 PolarHBondContact O-N 3.23Å; S35-I39 WeakPolarHBondContact O-CB 3.47Å; S35-I39 VanDerWaalsContact O-CG1 3.25Å; S35-I39 WeakPolarHBondContact O-CG1 3.36Å; S35-I39 PolarHBondContact O-N 3.3Å
36M93.1Very high89.3Confident36 Ų3652.7 Ų52.718%0.17730%0.295CS..Hα-helixtrans-57.7-52.8174.1175.1-90.2113.700110.3A32 L33 L38 I39 F40 T137 I140A32-M36 WeakPolarHBondContact O-CB 3.3Å; A32-M36 PolarHBondContact O-N 3.44Å; L33-M36 PolarHBondContact O-N 2.93Å; M36-L38 VanDerWaalsContact C-N 3.34Å; M36-L38 PolarHBondContact O-N 2.98Å; M36-I39 PolarHBondContact O-N 3.42Å; M36-F40 HydrophobicContact CE-CB 3.79Å; M36-F40 HydrophobicContact CE-CD2 4Å; M36-F40 HydrophobicContact CE-CG 4.32Å; M36-F40 HydrophobicContact CG-CD2 3.88Å; M36-F40 HydrophobicContact CG-CE2 4.29Å; M36-F40 WeakPolarHBondContact O-CD2 3.36Å; M36-F40 PolarHBondContact O-N 3.29Å; M36-T137 HydrophobicContact CE-CG2 3.52Å; M36-I140 HydrophobicContact SD-CG2 3.98Å
37M93.2Very high90.2Very high0 Ų053.3 Ų53.30%030%0.296CS..Iπ-helixtrans-63.6-39.6178.4-170.360.4-176.100112.4L33 I39 G41 N110 L113 L117 T137 L138 F141L33-M37 PolarHBondContact O-N 3.37Å; L33-M37 VanDerWaalsContact O-N 3.13Å; M37-I39 VanDerWaalsContact C-N 3.32Å; M37-I39 PolarHBondContact O-N 3.36Å; M37-G41 WeakPolarHBondContact O-CA 2.97Å; M37-G41 PolarHBondContact O-N 3.2Å; M37-N110 HydrophobicContact CB-CB 4.29Å; M37-N110 HydrophobicContact CG-CB 3.95Å; M37-L113 HydrophobicContact CE-CB 4.22Å; M37-L113 HydrophobicContact CE-CD2 4.32Å; M37-L113 HydrophobicContact CE-CG 4.04Å; M37-L117 HydrophobicContact CE-CD1 4.06Å; M37-T137 HydrophobicContact SD-CG2 4.22Å; M37-L138 HydrophobicContact CE-CD2 4.43Å; M37-F141 HydrophobicContact CB-CD2 3.58Å; M37-F141 HydrophobicContact CB-CE2 3.69Å; M37-F141 HydrophobicContact CB-CG 4.38Å; M37-F141 HydrophobicContact CE-CD1 4.3Å; M37-F141 HydrophobicContact CE-CG 4.46Å; M37-F141 HydrophobicContact CG-CD1 4.48Å; M37-F141 HydrophobicContact CG-CD2 3.67Å; M37-F141 HydrophobicContact CG-CE2 3.71Å; M37-F141 HydrophobicContact CG-CG 4.07Å; M37-F141 HydrophobicContact CG-CZ 4.15Å; M37-F141 HydrophobicContact SD-CB 3.87Å; M37-F141 HydrophobicContact SD-CD1 4.06Å; M37-F141 HydrophobicContact SD-CD2 3.83Å; M37-F141 HydrophobicContact SD-CE2 4.39Å; M37-F141 HydrophobicContact SD-CG 3.64Å
38L91.9Very high90.9Very high85 Ų8552.1 Ų52.145%0.44529%0.287SS..Iπ-helixtrans-60.1-41.7176.5-168.479.9000111.8G34 S35 M36 N42 Y109G34-L38 VanDerWaalsContact O-CB 3.32Å; G34-L38 WeakPolarHBondContact O-CB 3.24Å; G34-L38 PolarHBondContact O-N 3.4Å; S35-L38 PolarHBondContact O-N 3.23Å; M36-L38 VanDerWaalsContact C-N 3.34Å; M36-L38 PolarHBondContact O-N 2.98Å; L38-N42 VanDerWaalsContact O-CB 3.27Å; L38-N42 WeakPolarHBondContact O-CB 3.29Å; L38-N42 PolarHBondContact O-ND2 3.31Å; L38-Y109 HydrophobicContact CD1-CD1 3.81Å; L38-Y109 HydrophobicContact CD1-CE1 3.5Å
39I94.6Very high91.4Very high107 Ų10754.7 Ų54.755%0.54930%0.303SS..Iπ-helixtrans-80.6-60.8-176.7-65.8166000110.6S35 M36 M37 A43S35-I39 WeakPolarHBondContact O-CB 3.47Å; S35-I39 VanDerWaalsContact O-CG1 3.25Å; S35-I39 WeakPolarHBondContact O-CG1 3.36Å; S35-I39 PolarHBondContact O-N 3.3Å; M36-I39 PolarHBondContact O-N 3.42Å; M37-I39 VanDerWaalsContact C-N 3.32Å; M37-I39 PolarHBondContact O-N 3.36Å; I39-A43 WeakPolarHBondContact O-CB 3.32Å; I39-A43 PolarHBondContact O-N 3.49Å
40F95.6Very high91.9Very high120 Ų12061.6 Ų61.653%0.52633%0.326SS..Iπ-helixtrans-75.8-34.8-172.4-63.1-74.7000112.1M36 N42 A43 E44 T137M36-F40 HydrophobicContact CE-CB 3.79Å; M36-F40 HydrophobicContact CE-CD2 4Å; M36-F40 HydrophobicContact CE-CG 4.32Å; M36-F40 HydrophobicContact CG-CD2 3.88Å; M36-F40 HydrophobicContact CG-CE2 4.29Å; M36-F40 WeakPolarHBondContact O-CD2 3.36Å; M36-F40 PolarHBondContact O-N 3.29Å; F40-N42 PolarHBondContact O-N 3.19Å; F40-A43 PolarHBondContact O-N 2.88Å; F40-E44 WeakPolarHBondContact O-CB 3.27Å; F40-E44 PolarHBondContact O-N 3.48Å; F40-T137 HydrophobicContact CB-CG2 3.97Å
41G95.5Very high92.3Very high0 Ų067 Ų670%034%0.344CS..Iπ-helixtrans-64-40.2174.900000112.3M37 F45M37-G41 WeakPolarHBondContact O-CA 2.97Å; M37-G41 PolarHBondContact O-N 3.2Å; G41-F45 WeakPolarHBondContact O-CB 2.93Å; G41-F45 PolarHBondContact O-N 3.07Å
42N96.8Very high92.5Very high42 Ų4261.3 Ų61.323%0.22532%0.324CS..Hα-helixtrans-71.8-36.5174.7-84.2-74.9000112L38 F40 E44 F45 C46 Y109L38-N42 VanDerWaalsContact O-CB 3.27Å; L38-N42 WeakPolarHBondContact O-CB 3.29Å; L38-N42 PolarHBondContact O-ND2 3.31Å; F40-N42 PolarHBondContact O-N 3.19Å; N42-E44 VanDerWaalsContact C-N 3.32Å; N42-E44 PolarHBondContact O-N 2.93Å; N42-F45 PolarHBondContact O-N 3.41Å; N42-C46 WeakPolarHBondContact O-CB 3.44Å; N42-C46 PolarHBondContact O-N 3.35Å; N42-C46 PolarHBondContact O-SG 2.84Å; N42-Y109 PolarHBondContact ND2-OH 3.45Å; N42-Y109 PolarHBondContact OD1-OH 2.94Å
43A94.9Very high92.4Very high51 Ų5162 Ų6242%0.42133%0.325SS..Hα-helixtrans-59.3-46.2173.800000110.9I39 F40 C46 M47I39-A43 WeakPolarHBondContact O-CB 3.32Å; I39-A43 PolarHBondContact O-N 3.49Å; F40-A43 PolarHBondContact O-N 2.88Å; A43-C46 WeakPolarHBondContact O-CB 3.39Å; A43-C46 PolarHBondContact O-N 3.4Å; A43-M47 WeakPolarHBondContact O-CG 3.48Å; A43-M47 PolarHBondContact O-N 2.87Å
44E94.2Very high92.4Very high12 Ų1268.3 Ų68.36%0.05635%0.347CS..Hα-helixtrans-63.9-44.4176.3-170.9175.5149.900112.3F40 N42 C46 M47 Y48 L117 S135 T137F40-E44 WeakPolarHBondContact O-CB 3.27Å; F40-E44 PolarHBondContact O-N 3.48Å; N42-E44 VanDerWaalsContact C-N 3.32Å; N42-E44 PolarHBondContact O-N 2.93Å; E44-C46 VanDerWaalsContact C-N 3.32Å; E44-C46 PolarHBondContact O-N 3.36Å; E44-M47 WeakPolarHBondContact O-CB 3.43Å; E44-M47 PolarHBondContact O-N 3.48Å; E44-M47 VanDerWaalsContact O-N 3.09Å; E44-Y48 HydrophobicContact CG-CD2 4.17Å; E44-Y48 HydrophobicContact CG-CE2 4.02Å; E44-Y48 WeakPolarHBondContact O-CD2 3.26Å; E44-Y48 PolarHBondContact O-N 2.86Å; E44-L117 HydrophobicContact CB-CD1 4.46Å; E44-L117 HydrophobicContact CB-CD2 4.15Å; E44-L117 HydrophobicContact CG-CD2 3.91Å; E44-S135 VanDerWaalsContact CD-OG 3.26Å; E44-S135 WeakPolarHBondContact OE1-CB 3.28Å; E44-S135 PolarHBondContact OE1-OG 3.37Å; E44-S135 PolarHBondContact OE2-OG 2.02Å; E44-T137 WeakPolarHBondContact OE2-CB 3.44Å; E44-T137 PolarHBondContact OE2-OG1 2.99Å
45F96.2Very high92.1Very high63 Ų6368.3 Ų68.328%0.27634%0.342SS..Hα-helixtrans-57.3-45.5173.6172.5-111.6000111.9G41 N42 M47 Y48 V49 L113 L116 L117 L120G41-F45 WeakPolarHBondContact O-CB 2.93Å; G41-F45 PolarHBondContact O-N 3.07Å; N42-F45 PolarHBondContact O-N 3.41Å; F45-M47 VanDerWaalsContact C-N 3.3Å; F45-M47 PolarHBondContact O-N 3.23Å; F45-Y48 WeakPolarHBondContact O-CB 3.26Å; F45-Y48 PolarHBondContact O-N 3.21Å; F45-Y48 VanDerWaalsContact O-N 3.15Å; F45-V49 HydrophobicContact CD1-CG2 4.47Å; F45-V49 HydrophobicContact CD2-CG2 4.24Å; F45-V49 HydrophobicContact CE1-CG2 3.98Å; F45-V49 HydrophobicContact CE2-CG2 3.7Å; F45-V49 HydrophobicContact CZ-CG2 3.56Å; F45-V49 WeakPolarHBondContact O-CG2 3.48Å; F45-V49 PolarHBondContact O-N 3.03Å; F45-L113 HydrophobicContact CB-CD1 4.09Å; F45-L113 HydrophobicContact CG-CD1 4.46Å; F45-L116 HydrophobicContact CD2-CD2 3.68Å; F45-L116 HydrophobicContact CD2-CG 4.24Å; F45-L116 HydrophobicContact CE2-CD2 3.54Å; F45-L116 HydrophobicContact CE2-CG 4.26Å; F45-L116 HydrophobicContact CG-CD2 4.48Å; F45-L116 HydrophobicContact CZ-CD2 4.23Å; F45-L117 HydrophobicContact CB-CD2 4.17Å; F45-L120 HydrophobicContact CD2-CD1 3.68Å; F45-L120 HydrophobicContact CE2-CD1 4.11Å
46C95.4Very high91.4Very high76 Ų7670.1 Ų70.151%0.51435%0.349SS..Hα-helixtrans-61-37.7175.1-75.80000112.3N42 A43 E44 V49 R50N42-C46 WeakPolarHBondContact O-CB 3.44Å; N42-C46 PolarHBondContact O-N 3.35Å; N42-C46 PolarHBondContact O-SG 2.84Å; A43-C46 WeakPolarHBondContact O-CB 3.39Å; A43-C46 PolarHBondContact O-N 3.4Å; E44-C46 VanDerWaalsContact C-N 3.32Å; E44-C46 PolarHBondContact O-N 3.36Å; C46-V49 PolarHBondContact O-N 3.13Å; C46-R50 WeakPolarHBondContact O-CB 3.5Å; C46-R50 PolarHBondContact O-N 3.3Å
47M92.7Very high90.6Very high92 Ų9276.5 Ų76.545%0.45338%0.376SS..Hα-helixtrans-62.4-43.9173.6-69.1-158.9-63.500111.3A43 E44 F45 R50 Y51 L126A43-M47 WeakPolarHBondContact O-CG 3.48Å; A43-M47 PolarHBondContact O-N 2.87Å; E44-M47 WeakPolarHBondContact O-CB 3.43Å; E44-M47 PolarHBondContact O-N 3.48Å; E44-M47 VanDerWaalsContact O-N 3.09Å; F45-M47 VanDerWaalsContact C-N 3.3Å; F45-M47 PolarHBondContact O-N 3.23Å; M47-R50 PolarHBondContact O-N 3.38Å; M47-Y51 HydrophobicContact CB-CD2 4.49Å; M47-Y51 WeakPolarHBondContact O-CB 3.5Å; M47-Y51 PolarHBondContact O-N 3.42Å; M47-L126 HydrophobicContact CB-CD2 4.02Å
48Y93.5Very high89.5Confident18 Ų1886.7 Ų86.77%0.07142%0.415CS..Hα-helixtrans-60.4-48.6175.4-87.5-74.7000111.8E44 F45 R50 S52 L117 L120 E121 L126E44-Y48 HydrophobicContact CG-CD2 4.17Å; E44-Y48 HydrophobicContact CG-CE2 4.02Å; E44-Y48 WeakPolarHBondContact O-CD2 3.26Å; E44-Y48 PolarHBondContact O-N 2.86Å; F45-Y48 WeakPolarHBondContact O-CB 3.26Å; F45-Y48 PolarHBondContact O-N 3.21Å; F45-Y48 VanDerWaalsContact O-N 3.15Å; Y48-R50 VanDerWaalsContact C-N 3.26Å; Y48-R50 PolarHBondContact O-N 3.49Å; Y48-S52 WeakPolarHBondContact O-CB 3.3Å; Y48-S52 PolarHBondContact O-N 3.4Å; Y48-S52 VanDerWaalsContact O-N 3.14Å; Y48-S52 PolarHBondContact O-OG 2.9Å; Y48-L117 HydrophobicContact CD2-CD2 4.22Å; Y48-L117 HydrophobicContact CE2-CD2 4.49Å; Y48-L120 HydrophobicContact CD1-CB 3.93Å; Y48-L120 HydrophobicContact CD2-CB 4.15Å; Y48-L120 HydrophobicContact CD2-CD1 4.23Å; Y48-L120 HydrophobicContact CE1-CB 4.13Å; Y48-L120 HydrophobicContact CE2-CB 4.34Å; Y48-L120 HydrophobicContact CG-CB 3.96Å; Y48-L120 HydrophobicContact CG-CD1 4.04Å; Y48-L120 HydrophobicContact CG-CG 4.46Å; Y48-E121 HydrophobicContact CE2-CG 4.4Å; Y48-E121 VanDerWaalsContact OH-CG 3.25Å; Y48-E121 WeakPolarHBondContact OH-CG 3.49Å; Y48-L126 HydrophobicContact CD1-CD1 4.39Å; Y48-L126 HydrophobicContact CD1-CD2 4.24Å; Y48-L126 HydrophobicContact CD1-CG 4Å; Y48-L126 HydrophobicContact CD2-CD1 4.03Å; Y48-L126 HydrophobicContact CD2-CG 4.47Å; Y48-L126 HydrophobicContact CE1-CD1 4Å; Y48-L126 HydrophobicContact CE1-CD2 4.46Å; Y48-L126 HydrophobicContact CE1-CG 3.73Å; Y48-L126 HydrophobicContact CE2-CD1 3.6Å; Y48-L126 HydrophobicContact CE2-CG 4.23Å; Y48-L126 HydrophobicContact CG-CD1 4.38Å; Y48-L126 HydrophobicContact CG-CD2 4.34Å; Y48-L126 HydrophobicContact CG-CG 4.34Å
49V92Very high88.6Confident107 Ų10784.1 Ų84.165%0.64840%0.401SS*.Hα-helixtrans-59.9-37.6-179.91720000112F45 C46F45-V49 HydrophobicContact CD1-CG2 4.47Å; F45-V49 HydrophobicContact CD2-CG2 4.24Å; F45-V49 HydrophobicContact CE1-CG2 3.98Å; F45-V49 HydrophobicContact CE2-CG2 3.7Å; F45-V49 HydrophobicContact CZ-CG2 3.56Å; F45-V49 WeakPolarHBondContact O-CG2 3.48Å; F45-V49 PolarHBondContact O-N 3.03Å; C46-V49 PolarHBondContact O-N 3.13Å
50R91.7Very high87.7Confident190 Ų19080 Ų8072%0.71738%0.38SS*.Hα-helixtrans-90.7-38.1-172.1-172.1170.2-177.9173.10.7114.6C46 M47 Y48C46-R50 WeakPolarHBondContact O-CB 3.5Å; C46-R50 PolarHBondContact O-N 3.3Å; M47-R50 PolarHBondContact O-N 3.38Å; Y48-R50 VanDerWaalsContact C-N 3.26Å; Y48-R50 PolarHBondContact O-N 3.49Å
51Y90.5Very high86.7Confident128 Ų12877.1 Ų77.150%0.50238%0.384SS..Hα-helixtrans-119.5-10.5-166.8-59.5-67.4000113.8M47 P127M47-Y51 HydrophobicContact CB-CD2 4.49Å; M47-Y51 WeakPolarHBondContact O-CB 3.5Å; M47-Y51 PolarHBondContact O-N 3.42Å; Y51-P127 WeakPolarHBondContact O-CD 3.49Å
52S88.9Confident86Confident34 Ų3488.4 Ų88.424%0.23843%0.427CS..  trans-76.1152.4-174.676.30000113.6Y48 Y124 D125Y48-S52 WeakPolarHBondContact O-CB 3.3Å; Y48-S52 PolarHBondContact O-N 3.4Å; Y48-S52 VanDerWaalsContact O-N 3.14Å; Y48-S52 PolarHBondContact O-OG 2.9Å; S52-Y124 WeakPolarHBondContact OG-CD1 3.23Å; S52-D125 CarbonylContact C-O 3.34Å; S52-D125 WeakPolarHBondContact CA-O 3.44Å; S52-D125 VanDerWaalsContact CB-O 3.26Å; S52-D125 WeakPolarHBondContact CB-O 3.41Å
53S86Confident85.5Confident71 Ų7188 Ų8850%0.49743%0.429SS..EExtended strand (participates in β ladder)trans-115.9144.216966.20000109.7Y124 D125S53-Y124 CarbonylContact O-C 3.52Å; S53-Y124 WeakPolarHBondContact O-CA 3.41Å; S53-D125 PolarHBondContact N-O 3.45Å; S53-D125 PolarHBondContact O-N 3.35Å
54R85.9Confident85.1Confident155 Ų15587.5 Ų87.559%0.58542%0.422SS*.EExtended strand (participates in β ladder)trans-76.8133.7-178.7-166.6178.5-173.6169.85.6110Y124R54-Y124 HydrophobicContact CB-CD1 4.2Å; R54-Y124 HydrophobicContact CB-CE1 4.09Å; R54-Y124 HydrophobicContact CG-CD1 4.48Å; R54-Y124 HydrophobicContact CG-CE1 4.2Å
55F80.9Confident84.9Confident19 Ų1991.7 Ų91.78%0.08345%0.45CS..PPolyproline II helixtrans-61.7147.8173-72.4-60.1000112K57 L59 L60 R122 H123 Y124 D125 V192F55-K57 PolarHBondContact O-N 2.82Å; F55-L59 HydrophobicContact CD1-CD2 3.63Å; F55-L59 HydrophobicContact CE1-CD2 4.11Å; F55-L59 HydrophobicContact CG-CD2 4.31Å; F55-L60 HydrophobicContact CB-CD1 4.07Å; F55-L60 HydrophobicContact CB-CD2 3.94Å; F55-L60 HydrophobicContact CB-CG 3.87Å; F55-L60 HydrophobicContact CD2-CD2 4.01Å; F55-L60 HydrophobicContact CG-CD2 4.34Å; F55-R122 VanDerWaalsContact CD2-O 3.25Å; F55-R122 WeakPolarHBondContact CD2-O 3.18Å; F55-H123 VanDerWaalsContact CD2-C 3.42Å; F55-H123 PolarHBondContact N-O 3.24Å; F55-Y124 WeakPolarHBondContact CE2-O 3.42Å; F55-D125 HydrophobicContact CD1-CB 4.2Å; F55-D125 HydrophobicContact CE1-CB 3.63Å; F55-D125 HydrophobicContact CE2-CB 4.43Å; F55-D125 HydrophobicContact CZ-CB 3.76Å; F55-V192 HydrophobicContact CD2-CG2 4.44Å; F55-V192 HydrophobicContact CE2-CG2 4.32Å
56D76.4Confident84.8Confident66 Ų6694 Ų9435%0.35346%0.46SS..PPolyproline II helixtrans-62.2136.2169.5-165.1-53.9000110R58 L59 L60 F200D56-R58 PolarHBondContact O-N 3.5Å; D56-R58 VanDerWaalsContact O-N 3.12Å; D56-R58 WeakPolarHBondContact OD1-CB 3.43Å; D56-R58 WeakPolarHBondContact OD1-CG 2.94Å; D56-R58 PolarHBondContact OD1-N 3.49Å; D56-L59 WeakPolarHBondContact O-CB 3.33Å; D56-L59 PolarHBondContact O-N 3.36Å; D56-L60 PolarHBondContact O-N 2.89Å; D56-F200 HydrophobicContact CB-CE1 3.76Å; D56-F200 HydrophobicContact CB-CE2 4.41Å; D56-F200 HydrophobicContact CB-CZ 3.53Å
57K75.7Confident84.7Confident171 Ų17190.8 Ų90.874%0.74344%0.437SS*.Hα-helixtrans-55.6-30.2177.5-69.4-175.4-179.8178.60112.3F55 L59 L60F55-K57 PolarHBondContact O-N 2.82Å; K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 PolarHBondContact O-N 3.47Å; K57-L60 PolarHBondContact O-N 3.39Å
58R71Confident84.8Confident213 Ų21390.8 Ų90.880%0.80444%0.439SS*.Hα-helixtrans-64.7-30.3176.9-63.6176.6-169.1-171.93.9112.4D56 F200D56-R58 PolarHBondContact O-N 3.5Å; D56-R58 VanDerWaalsContact O-N 3.12Å; D56-R58 WeakPolarHBondContact OD1-CB 3.43Å; D56-R58 WeakPolarHBondContact OD1-CG 2.94Å; D56-R58 PolarHBondContact OD1-N 3.49Å; R58-F200 HydrophobicContact CB-CE2 3.9Å
59L71.3Confident84.9Confident32 Ų3293.2 Ų93.217%0.16845%0.452CS..Hα-helixtrans-80.4-35179.2-164.469.8000112F55 D56 K57 G61 V192 A196 F200F55-L59 HydrophobicContact CD1-CD2 3.63Å; F55-L59 HydrophobicContact CE1-CD2 4.11Å; F55-L59 HydrophobicContact CG-CD2 4.31Å; D56-L59 WeakPolarHBondContact O-CB 3.33Å; D56-L59 PolarHBondContact O-N 3.36Å; K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 PolarHBondContact O-N 3.47Å; L59-G61 PolarHBondContact O-N 3.43Å; L59-V192 HydrophobicContact CD1-CG1 4.16Å; L59-V192 HydrophobicContact CD2-CG1 3.76Å; L59-V192 HydrophobicContact CG-CG1 3.72Å; L59-V192 HydrophobicContact CG-CG2 4.47Å; L59-A196 HydrophobicContact CD1-CB 4.45Å; L59-F200 HydrophobicContact CD1-CB 3.64Å; L59-F200 HydrophobicContact CD1-CD2 4.21Å; L59-F200 HydrophobicContact CD1-CG 3.92Å
60L76.1Confident85.1Confident20 Ų2088.1 Ų88.111%0.10542%0.422CS..Hα-helixtrans-71.9-27.5-173.9-69.9169.4000114.1F55 D56 K57 R122 V192F55-L60 HydrophobicContact CB-CD1 4.07Å; F55-L60 HydrophobicContact CB-CD2 3.94Å; F55-L60 HydrophobicContact CB-CG 3.87Å; F55-L60 HydrophobicContact CD2-CD2 4.01Å; F55-L60 HydrophobicContact CG-CD2 4.34Å; D56-L60 PolarHBondContact O-N 2.89Å; K57-L60 PolarHBondContact O-N 3.39Å; L60-R122 HydrophobicContact CD2-CG 4.34Å; L60-R122 WeakPolarHBondContact CD2-O 3.32Å; L60-R122 PolarHBondContact O-NH2 2.9Å; L60-V192 HydrophobicContact CD2-CG2 4.37Å
61G75.1Confident85.3Confident59 Ų5981.4 Ų81.461%0.60840%0.4SS*.  trans50.6-154.9-178.900000113.8L59L59-G61 PolarHBondContact O-N 3.43Å
62R80.9Confident85.5Confident237 Ų23779.9 Ų79.989%0.89440%0.4SS*.SBendtrans-80.5142.5171.4-170.5175179.71670.3109.8P64R62-P64 WeakPolarHBondContact O-CD 3.24Å
63A85.3Confident85.9Confident34 Ų3478.8 Ų78.828%0.28139%0.391SS..PPolyproline II helixtrans-56.5121.6174.400000111.2Y67 L68A63-Y67 HydrophobicContact CB-CD1 4.19Å; A63-L68 HydrophobicContact CB-CD1 4.26Å; A63-L68 HydrophobicContact CB-CD2 3.97Å; A63-L68 HydrophobicContact CB-CG 4.08Å
64P87.1Confident86.3Confident41 Ų4175.4 Ų75.427%0.26637%0.367SS..PPolyproline II helixtrans-61144.9177.3-26.637.7000111.2R62 F66 Y67 L68 R122 P189R62-P64 WeakPolarHBondContact O-CD 3.24Å; P64-F66 VanDerWaalsContact C-N 3.31Å; P64-F66 PolarHBondContact O-N 2.95Å; P64-Y67 WeakPolarHBondContact O-CB 3.13Å; P64-Y67 PolarHBondContact O-N 2.68Å; P64-Y67 VanDerWaalsContact O-N 3.13Å; P64-L68 PolarHBondContact O-N 2.85Å; P64-R122 VanDerWaalsContact CD-NH1 3.28Å; P64-P189 WeakPolarHBondContact CG-O 3.23Å
65P90.8Very high86.8Confident99 Ų9970.6 Ų70.664%0.64336%0.355SS*.Hα-helixtrans-60.9-38.9-177.423.3-33000112.4Y67 L68 L69P65-Y67 VanDerWaalsContact C-N 3.32Å; P65-Y67 PolarHBondContact O-N 3.26Å; P65-L68 PolarHBondContact O-N 3.45Å; P65-L69 PolarHBondContact O-N 3.35Å
66F93.5Very high87.4Confident111 Ų11174.1 Ų74.149%0.48737%0.373SS..Hα-helixtrans-67.1-29.9177.4-70.1-60.8000113.5P64 L69 Q70 L184 P189P64-F66 VanDerWaalsContact C-N 3.31Å; P64-F66 PolarHBondContact O-N 2.95Å; F66-L69 HydrophobicContact CD1-CD2 4.22Å; F66-L69 PolarHBondContact O-N 3.48Å; F66-Q70 PolarHBondContact O-N 3.46Å; F66-L184 HydrophobicContact CB-CD2 4.12Å; F66-L184 HydrophobicContact CD1-CD2 4.07Å; F66-L184 HydrophobicContact CG-CD2 4.42Å; F66-P189 HydrophobicContact CB-CB 3.64Å; F66-P189 HydrophobicContact CB-CG 3.93Å
67Y93Very high88.2Confident9 Ų971 Ų714%0.03536%0.356CS..Hα-helixtrans-67.2-44.2172168.4-103.9000111.5A63 P64 P65 L69 Q70 I71 L118 R122 G190A63-Y67 HydrophobicContact CB-CD1 4.19Å; P64-Y67 WeakPolarHBondContact O-CB 3.13Å; P64-Y67 PolarHBondContact O-N 2.68Å; P64-Y67 VanDerWaalsContact O-N 3.13Å; P65-Y67 VanDerWaalsContact C-N 3.32Å; P65-Y67 PolarHBondContact O-N 3.26Å; Y67-L69 VanDerWaalsContact C-N 3.29Å; Y67-L69 PolarHBondContact O-N 3.01Å; Y67-Q70 WeakPolarHBondContact O-CB 3.33Å; Y67-Q70 PolarHBondContact O-N 3.09Å; Y67-I71 HydrophobicContact CD1-CD1 4.17Å; Y67-I71 HydrophobicContact CE1-CD1 3.51Å; Y67-I71 HydrophobicContact CE2-CD1 4.17Å; Y67-I71 PolarHBondContact O-N 3.3Å; Y67-I71 VanDerWaalsContact O-N 3.1Å; Y67-L118 HydrophobicContact CD2-CD1 4.41Å; Y67-L118 HydrophobicContact CE2-CD1 4.12Å; Y67-L118 HydrophobicContact CE2-CG 4Å; Y67-R122 HydrophobicContact CE2-CB 4.2Å; Y67-G190 VanDerWaalsContact CD2-CA 3.48Å
68L95.3Very high89Confident93 Ų9364.1 Ų64.149%0.48733%0.327SS..Hα-helixtrans-64.1-37.1175.3-63.8175000111.7A63 P64 P65 I71 L72A63-L68 HydrophobicContact CB-CD1 4.26Å; A63-L68 HydrophobicContact CB-CD2 3.97Å; A63-L68 HydrophobicContact CB-CG 4.08Å; P64-L68 PolarHBondContact O-N 2.85Å; P65-L68 PolarHBondContact O-N 3.45Å; L68-I71 PolarHBondContact O-N 2.97Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 PolarHBondContact O-N 3.44Å
69L95.5Very high90Very high68 Ų6858.8 Ų58.836%0.35631%0.314SS..Hα-helixtrans-61.7-43.5173.1-177.863.1000111.5P65 F66 Y67 I71 L72 L73 L184P65-L69 PolarHBondContact O-N 3.35Å; F66-L69 HydrophobicContact CD1-CD2 4.22Å; F66-L69 PolarHBondContact O-N 3.48Å; Y67-L69 VanDerWaalsContact C-N 3.29Å; Y67-L69 PolarHBondContact O-N 3.01Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 2.86Å; L69-L72 WeakPolarHBondContact O-CB 3.15Å; L69-L72 PolarHBondContact O-N 2.86Å; L69-L73 HydrophobicContact CD1-CD1 4.31Å; L69-L73 HydrophobicContact CD1-CG 4.18Å; L69-L73 HydrophobicContact CG-CD1 3.97Å; L69-L73 HydrophobicContact CG-CG 4.29Å; L69-L73 WeakPolarHBondContact O-CB 3.43Å; L69-L73 VanDerWaalsContact O-CG 3.25Å; L69-L73 WeakPolarHBondContact O-CG 3.33Å; L69-L73 PolarHBondContact O-N 3.25Å; L69-L184 HydrophobicContact CD2-CD1 4.24Å; L69-L184 HydrophobicContact CG-CD1 4.21Å
70Q95.3Very high90.9Very high0 Ų058.8 Ų58.80%031%0.314CS..Hα-helixtrans-62.2-40177.9-166.4178.35.300112.4F66 Y67 T74 L118 H134 L181 L184F66-Q70 PolarHBondContact O-N 3.46Å; Y67-Q70 WeakPolarHBondContact O-CB 3.33Å; Y67-Q70 PolarHBondContact O-N 3.09Å; Q70-T74 WeakPolarHBondContact O-CB 3.32Å; Q70-T74 PolarHBondContact O-N 3.16Å; Q70-T74 VanDerWaalsContact O-N 3.08Å; Q70-T74 PolarHBondContact O-OG1 2.78Å; Q70-L118 HydrophobicContact CB-CD2 4.44Å; Q70-L118 HydrophobicContact CG-CD2 3.96Å; Q70-H134 PolarHBondContact NE2-NE2 3.33Å; Q70-L181 HydrophobicContact CG-CD2 4.12Å; Q70-L184 HydrophobicContact CB-CB 4.4Å; Q70-L184 HydrophobicContact CB-CD1 4.05Å; Q70-L184 HydrophobicContact CG-CB 4.13Å; Q70-L184 HydrophobicContact CG-CD1 4.44Å
71I96Very high91.3Very high50 Ų5058.1 Ų58.126%0.25631%0.311SS..Hα-helixtrans-60.9-50.6171.8-70.1172.9000110.3Y67 L68 L69 L73 T74 V75 L115 L118Y67-I71 HydrophobicContact CD1-CD1 4.17Å; Y67-I71 HydrophobicContact CE1-CD1 3.51Å; Y67-I71 HydrophobicContact CE2-CD1 4.17Å; Y67-I71 PolarHBondContact O-N 3.3Å; Y67-I71 VanDerWaalsContact O-N 3.1Å; L68-I71 PolarHBondContact O-N 2.97Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 2.86Å; I71-L73 PolarHBondContact O-N 3.22Å; I71-T74 WeakPolarHBondContact O-CB 3.47Å; I71-T74 PolarHBondContact O-N 3.01Å; I71-V75 WeakPolarHBondContact O-CG2 3.37Å; I71-V75 PolarHBondContact O-N 3.04Å; I71-L115 HydrophobicContact CB-CD1 4.33Å; I71-L115 HydrophobicContact CG1-CD1 4.07Å; I71-L115 HydrophobicContact CG2-CD1 4.16Å; I71-L118 HydrophobicContact CG1-CD2 4.13Å
72L96.2Very high91.7Very high96 Ų9658.6 Ų58.650%0.50330%0.302SS..Hα-helixtrans-58.6-46.9-178.417966.1000111.5L68 L69 T74 V75 M76L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 PolarHBondContact O-N 3.44Å; L69-L72 WeakPolarHBondContact O-CB 3.15Å; L69-L72 PolarHBondContact O-N 2.86Å; L72-T74 VanDerWaalsContact C-N 3.33Å; L72-T74 PolarHBondContact O-N 3.03Å; L72-V75 PolarHBondContact O-N 2.87Å; L72-M76 HydrophobicContact CD1-CG 4.41Å; L72-M76 HydrophobicContact CG-CG 4.46Å; L72-M76 HydrophobicContact CG-SD 4.18Å; L72-M76 WeakPolarHBondContact O-CB 3.46Å; L72-M76 VanDerWaalsContact O-CG 3.32Å; L72-M76 WeakPolarHBondContact O-CG 3.48Å; L72-M76 PolarHBondContact O-N 3.4Å
73L96Very high91.9Very high11 Ų1151.8 Ų51.86%0.05828%0.282CS..Hα-helixtrans-62.7-39.7179-68.9172.8000111.9L69 I71 M76 L77 L177 M180 L181 L184L69-L73 HydrophobicContact CD1-CD1 4.31Å; L69-L73 HydrophobicContact CD1-CG 4.18Å; L69-L73 HydrophobicContact CG-CD1 3.97Å; L69-L73 HydrophobicContact CG-CG 4.29Å; L69-L73 WeakPolarHBondContact O-CB 3.43Å; L69-L73 VanDerWaalsContact O-CG 3.25Å; L69-L73 WeakPolarHBondContact O-CG 3.33Å; L69-L73 PolarHBondContact O-N 3.25Å; I71-L73 PolarHBondContact O-N 3.22Å; L73-M76 PolarHBondContact O-N 3.37Å; L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 PolarHBondContact O-N 3.47Å; L73-L177 HydrophobicContact CD2-CD2 3.52Å; L73-M180 HydrophobicContact CD1-CB 3.85Å; L73-L181 HydrophobicContact CB-CD2 3.71Å; L73-L181 HydrophobicContact CB-CG 4Å; L73-L184 HydrophobicContact CD1-CD1 3.62Å
74T95.3Very high91.8Very high0 Ų051.9 Ų51.90%028%0.278CS..Hα-helixtrans-61.7-45.2175.5-570000111.2Q70 I71 L72 L77 M78 W111 L115 L181Q70-T74 WeakPolarHBondContact O-CB 3.32Å; Q70-T74 PolarHBondContact O-N 3.16Å; Q70-T74 VanDerWaalsContact O-N 3.08Å; Q70-T74 PolarHBondContact O-OG1 2.78Å; I71-T74 WeakPolarHBondContact O-CB 3.47Å; I71-T74 PolarHBondContact O-N 3.01Å; L72-T74 VanDerWaalsContact C-N 3.33Å; L72-T74 PolarHBondContact O-N 3.03Å; T74-L77 PolarHBondContact O-N 3.44Å; T74-M78 HydrophobicContact CG2-CE 4.39Å; T74-M78 PolarHBondContact O-N 3.09Å; T74-M78 VanDerWaalsContact O-N 3.13Å; T74-W111 HydrophobicContact CG2-CE3 3.98Å; T74-L115 HydrophobicContact CG2-CB 4.09Å; T74-L115 HydrophobicContact CG2-CD1 4.15Å; T74-L181 WeakPolarHBondContact OG1-CD2 3.26Å
75V95.4Very high91.4Very high53 Ų5352.5 Ų52.532%0.32128%0.275SS..Hα-helixtrans-65.6-43.4177174.70000111.3I71 L72 L77 M78 L79 L115I71-V75 WeakPolarHBondContact O-CG2 3.37Å; I71-V75 PolarHBondContact O-N 3.04Å; L72-V75 PolarHBondContact O-N 2.87Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 2.96Å; V75-M78 HydrophobicContact CG2-CE 4.18Å; V75-M78 PolarHBondContact O-N 2.94Å; V75-L79 HydrophobicContact CG1-CD1 4.06Å; V75-L79 HydrophobicContact CG1-CG 4.48Å; V75-L79 WeakPolarHBondContact O-CG 2.94Å; V75-L79 PolarHBondContact O-N 3.3Å; V75-L115 HydrophobicContact CG2-CD2 3.99Å
76M94.2Very high90.9Very high94 Ų9450.3 Ų50.346%0.46326%0.261SS..Hα-helixtrans-60.2-40.8176.1-74.5-175.973.300112L72 L73 L79 L80L72-M76 HydrophobicContact CD1-CG 4.41Å; L72-M76 HydrophobicContact CG-CG 4.46Å; L72-M76 HydrophobicContact CG-SD 4.18Å; L72-M76 WeakPolarHBondContact O-CB 3.46Å; L72-M76 VanDerWaalsContact O-CG 3.32Å; L72-M76 WeakPolarHBondContact O-CG 3.48Å; L72-M76 PolarHBondContact O-N 3.4Å; L73-M76 PolarHBondContact O-N 3.37Å; M76-L79 PolarHBondContact O-N 3.41Å; M76-L80 VanDerWaalsContact O-CB 3.29Å; M76-L80 WeakPolarHBondContact O-CB 3.25Å; M76-L80 PolarHBondContact O-N 3.06Å
77L93.8Very high90.3Very high1 Ų147.7 Ų47.71%0.00525%0.252CS..Hα-helixtrans-63.5-44.4177.2-179.864.9000111.9L73 T74 V75 L79 L80 V81 W111 K174 L177 L178 L181L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 PolarHBondContact O-N 3.47Å; T74-L77 PolarHBondContact O-N 3.44Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 2.96Å; L77-L79 PolarHBondContact O-N 2.87Å; L77-L80 PolarHBondContact O-N 2.94Å; L77-V81 PolarHBondContact O-N 3.36Å; L77-W111 HydrophobicContact CD2-CD2 4.06Å; L77-W111 HydrophobicContact CD2-CE3 3.99Å; L77-W111 HydrophobicContact CD2-CH2 3.27Å; L77-W111 HydrophobicContact CD2-CZ2 3.36Å; L77-W111 HydrophobicContact CD2-CZ3 3.61Å; L77-K174 HydrophobicContact CD1-CG 3.8Å; L77-L177 HydrophobicContact CB-CD1 4.36Å; L77-L177 HydrophobicContact CD1-CB 4.33Å; L77-L177 HydrophobicContact CD1-CD1 4.32Å; L77-L178 HydrophobicContact CD1-CG 4.39Å; L77-L178 HydrophobicContact CD2-CD2 3.61Å; L77-L178 HydrophobicContact CD2-CG 4.12Å; L77-L181 HydrophobicContact CB-CD1 4.45Å; L77-L181 HydrophobicContact CD2-CD1 3.77Å
78M91.8Very high89.6Confident26 Ų2648.8 Ų48.813%0.12826%0.258CS..Hα-helixtrans-59.6-46.7175.6-71.9-171.8-68.800111.7T74 V75 V82 W111 L115T74-M78 HydrophobicContact CG2-CE 4.39Å; T74-M78 PolarHBondContact O-N 3.09Å; T74-M78 VanDerWaalsContact O-N 3.13Å; V75-M78 HydrophobicContact CG2-CE 4.18Å; V75-M78 PolarHBondContact O-N 2.94Å; M78-V82 WeakPolarHBondContact O-CG2 3.5Å; M78-V82 PolarHBondContact O-N 2.57Å; M78-W111 HydrophobicContact CG-CB 3.51Å; M78-W111 HydrophobicContact CG-CG 4.21Å; M78-W111 HydrophobicContact SD-CB 3.61Å; M78-L115 HydrophobicContact CE-CD2 4.12Å
79L91.1Very high88.8Confident100 Ų10049.9 Ų49.952%0.52426%0.256SS..Hα-helixtrans-64.9-42178.4-68.4173.6000112V75 M76 L77 V81 V82 I83V75-L79 HydrophobicContact CG1-CD1 4.06Å; V75-L79 HydrophobicContact CG1-CG 4.48Å; V75-L79 WeakPolarHBondContact O-CG 2.94Å; V75-L79 PolarHBondContact O-N 3.3Å; M76-L79 PolarHBondContact O-N 3.41Å; L77-L79 PolarHBondContact O-N 2.87Å; L79-V81 VanDerWaalsContact C-N 3.32Å; L79-V81 PolarHBondContact O-N 3.44Å; L79-V82 PolarHBondContact O-N 2.61Å; L79-I83 HydrophobicContact CB-CD1 4.39Å; L79-I83 WeakPolarHBondContact O-CB 3.46Å; L79-I83 WeakPolarHBondContact O-CD1 3.34Å; L79-I83 WeakPolarHBondContact O-CG1 3.47Å; L79-I83 PolarHBondContact O-N 3.46Å
80L90.2Very high88.2Confident32 Ų3253.1 Ų53.117%0.16827%0.269CS..Hα-helixtrans-58-44.4-179.7-178.967.3000111.7M76 L77 I83 L84 V170 I173 K174 L177M76-L80 VanDerWaalsContact O-CB 3.29Å; M76-L80 WeakPolarHBondContact O-CB 3.25Å; M76-L80 PolarHBondContact O-N 3.06Å; L77-L80 PolarHBondContact O-N 2.94Å; L80-I83 PolarHBondContact O-N 3.02Å; L80-L84 WeakPolarHBondContact O-CB 3.4Å; L80-L84 PolarHBondContact O-N 3.47Å; L80-V170 HydrophobicContact CD1-CG1 4.14Å; L80-V170 HydrophobicContact CG-CG1 4.29Å; L80-I173 HydrophobicContact CD2-CB 4.38Å; L80-I173 HydrophobicContact CD2-CG2 3.78Å; L80-K174 HydrophobicContact CD2-CB 3.96Å; L80-L177 HydrophobicContact CD2-CD1 3.84Å
81V85.2Confident87.4Confident7 Ų758 Ų584%0.04230%0.298CS..Hα-helixtrans-68.7-39.9-179.21740000111.5L77 L79 W85 F107 K174L77-V81 PolarHBondContact O-N 3.36Å; L79-V81 VanDerWaalsContact C-N 3.32Å; L79-V81 PolarHBondContact O-N 3.44Å; V81-W85 WeakPolarHBondContact O-CB 3.47Å; V81-W85 PolarHBondContact O-N 3.35Å; V81-W85 VanDerWaalsContact O-N 3.11Å; V81-F107 HydrophobicContact CB-CD1 4.19Å; V81-F107 HydrophobicContact CB-CE1 3.58Å; V81-F107 HydrophobicContact CB-CZ 3.88Å; V81-F107 HydrophobicContact CG1-CD1 3.88Å; V81-F107 HydrophobicContact CG1-CE1 3.74Å; V81-F107 HydrophobicContact CG1-CE2 4.43Å; V81-F107 HydrophobicContact CG1-CG 4.31Å; V81-F107 HydrophobicContact CG1-CZ 4.05Å; V81-F107 HydrophobicContact CG2-CE1 3.72Å; V81-F107 HydrophobicContact CG2-CE2 4.19Å; V81-F107 HydrophobicContact CG2-CZ 3.46Å; V81-F107 VanDerWaalsContact CG2-CZ 3.46Å; V81-K174 HydrophobicContact CG2-CD 4.42Å
82V84.5Confident86.6Confident69 Ų6959.9 Ų59.942%0.41830%0.303SS..Hα-helixtrans-65-42.3174.9174.30000111.3M78 L79 W85 S86 V108M78-V82 WeakPolarHBondContact O-CG2 3.5Å; M78-V82 PolarHBondContact O-N 2.57Å; L79-V82 PolarHBondContact O-N 2.61Å; V82-W85 PolarHBondContact O-N 2.96Å; V82-S86 PolarHBondContact O-N 3.38Å; V82-V108 HydrophobicContact CG2-CG2 4.09Å
83I84Confident85.7Confident94 Ų9458.1 Ų58.148%0.48231%0.308SS..Hα-helixtrans-65.4-47.7178-69.3164.2000110.8L79 L80 W85 S86 I87L79-I83 HydrophobicContact CB-CD1 4.39Å; L79-I83 WeakPolarHBondContact O-CB 3.46Å; L79-I83 WeakPolarHBondContact O-CD1 3.34Å; L79-I83 WeakPolarHBondContact O-CG1 3.47Å; L79-I83 PolarHBondContact O-N 3.46Å; L80-I83 PolarHBondContact O-N 3.02Å; I83-W85 PolarHBondContact O-N 2.94Å; I83-S86 WeakPolarHBondContact O-CA 3.42Å; I83-S86 WeakPolarHBondContact O-CB 3.49Å; I83-S86 PolarHBondContact O-N 3.01Å; I83-S86 VanDerWaalsContact O-N 3.08Å; I83-I87 HydrophobicContact CG2-CD1 3.85Å; I83-I87 HydrophobicContact CG2-CG1 4.37Å; I83-I87 WeakPolarHBondContact O-CG1 3.48Å; I83-I87 PolarHBondContact O-N 3.37Å
84L83Confident84.6Confident36 Ų3661.3 Ų61.319%0.18833%0.325CS..Hα-helixtrans-54.6-44.2177.2173.761.4000110.8L80 I87 L88 F167 V170L80-L84 WeakPolarHBondContact O-CB 3.4Å; L80-L84 PolarHBondContact O-N 3.47Å; L84-I87 PolarHBondContact O-N 2.86Å; L84-L88 HydrophobicContact CD1-CG 4.49Å; L84-L88 HydrophobicContact CG-CD1 4.29Å; L84-L88 WeakPolarHBondContact O-CG 3.46Å; L84-L88 PolarHBondContact O-N 3.45Å; L84-F167 HydrophobicContact CD1-CD1 4.06Å; L84-F167 HydrophobicContact CD1-CE1 4.01Å; L84-V170 HydrophobicContact CB-CG1 4.16Å; L84-V170 HydrophobicContact CD1-CB 4.24Å; L84-V170 HydrophobicContact CD1-CG1 3.91Å; L84-V170 HydrophobicContact CD1-CG2 4.26Å; L84-V170 HydrophobicContact CD2-CG1 3.77Å; L84-V170 HydrophobicContact CG-CG1 4.14Å
85W79.7Confident83.5Confident54 Ų5464.6 Ų64.621%0.20535%0.346CS..Hα-helixtrans-69.3-36179.9-16375.9000112.8V81 V82 I83 I87 L88 R89 F96 T100 Q104V81-W85 WeakPolarHBondContact O-CB 3.47Å; V81-W85 PolarHBondContact O-N 3.35Å; V81-W85 VanDerWaalsContact O-N 3.11Å; V82-W85 PolarHBondContact O-N 2.96Å; I83-W85 PolarHBondContact O-N 2.94Å; W85-I87 VanDerWaalsContact C-N 3.34Å; W85-L88 PolarHBondContact O-N 3.44Å; W85-R89 WeakPolarHBondContact O-CB 3.34Å; W85-R89 PolarHBondContact O-N 2.91Å; W85-F96 AromaticContact CH2-CD1 3.92Å; W85-F96 HydrophobicContact CH2-CD1 3.92Å; W85-F96 AromaticContact CH2-CE1 3.35Å; W85-F96 HydrophobicContact CH2-CE1 3.35Å; W85-F96 HydrophobicContact CH2-CE2 4.01Å; W85-F96 AromaticContact CH2-CZ 3.37Å; W85-F96 HydrophobicContact CH2-CZ 3.37Å; W85-F96 HydrophobicContact CZ2-CD1 4.38Å; W85-F96 HydrophobicContact CZ2-CE1 4.22Å; W85-F96 HydrophobicContact CZ2-CZ 4.41Å; W85-F96 HydrophobicContact CZ3-CE1 4.19Å; W85-F96 AromaticContact CZ3-CZ 3.9Å; W85-F96 HydrophobicContact CZ3-CZ 3.9Å; W85-T100 HydrophobicContact CZ2-CG2 3.56Å; W85-Q104 VanDerWaalsContact CD1-NE2 3.3Å; W85-Q104 HydrophobicContact CD2-CG 4.17Å; W85-Q104 HydrophobicContact CG-CG 4.26Å; W85-Q104 VanDerWaalsContact CG-NE2 3.29Å
86S80.9Confident82.4Confident52 Ų5266.7 Ų66.736%0.36435%0.351SS..Hα-helixtrans-62.3-40.7170.9-168.30000112.2V82 I83 R89 H90V82-S86 PolarHBondContact O-N 3.38Å; I83-S86 WeakPolarHBondContact O-CA 3.42Å; I83-S86 WeakPolarHBondContact O-CB 3.49Å; I83-S86 PolarHBondContact O-N 3.01Å; I83-S86 VanDerWaalsContact O-N 3.08Å; S86-R89 PolarHBondContact O-N 3.05Å; S86-H90 WeakPolarHBondContact O-CB 3.37Å; S86-H90 PolarHBondContact O-N 2.98Å; S86-H90 PolarHBondContact O-ND1 3.41Å; S86-H90 PolarHBondContact OG-ND1 3.02Å
87I79.8Confident81.4Confident56 Ų5665.9 Ų65.929%0.28734%0.344SS..Hα-helixtrans-63.8-48.6175.2-67.4167.2000110.3I83 L84 W85 R89 H90 V91 Y92I83-I87 HydrophobicContact CG2-CD1 3.85Å; I83-I87 HydrophobicContact CG2-CG1 4.37Å; I83-I87 WeakPolarHBondContact O-CG1 3.48Å; I83-I87 PolarHBondContact O-N 3.37Å; L84-I87 PolarHBondContact O-N 2.86Å; W85-I87 VanDerWaalsContact C-N 3.34Å; I87-R89 PolarHBondContact O-N 3.19Å; I87-H90 PolarHBondContact O-N 3.45Å; I87-V91 HydrophobicContact CG2-CB 4.31Å; I87-V91 HydrophobicContact CG2-CG2 3.99Å; I87-V91 VanDerWaalsContact O-CB 3.26Å; I87-V91 WeakPolarHBondContact O-CB 3.41Å; I87-V91 PolarHBondContact O-N 3.23Å; I87-Y92 HydrophobicContact CG2-CE2 4.33Å
88L78.1Confident80.5Confident33 Ų3368.4 Ų68.417%0.17337%0.37CS..Hα-helixtrans-53.7-42.6176.1-79.7172.7000112L84 W85 Y92 G93 L94 F167L84-L88 HydrophobicContact CD1-CG 4.49Å; L84-L88 HydrophobicContact CG-CD1 4.29Å; L84-L88 WeakPolarHBondContact O-CG 3.46Å; L84-L88 PolarHBondContact O-N 3.45Å; W85-L88 PolarHBondContact O-N 3.44Å; L88-Y92 HydrophobicContact CD2-CD2 4.31Å; L88-Y92 CarbonylContact O-C 3.56Å; L88-Y92 WeakPolarHBondContact O-CB 3.32Å; L88-Y92 PolarHBondContact O-N 3.08Å; L88-G93 PolarHBondContact O-N 3.42Å; L88-L94 HydrophobicContact CB-CD1 4.41Å; L88-L94 HydrophobicContact CD2-CD1 3.9Å; L88-L94 PolarHBondContact O-N 2.79Å; L88-F167 HydrophobicContact CD1-CE1 4.43Å; L88-F167 HydrophobicContact CD2-CD1 4.48Å; L88-F167 HydrophobicContact CD2-CE1 3.23Å; L88-F167 HydrophobicContact CD2-CE2 4.49Å; L88-F167 HydrophobicContact CD2-CZ 3.25Å; L88-F167 HydrophobicContact CG-CE1 3.87Å; L88-F167 HydrophobicContact CG-CZ 4.3Å
89R79.7Confident79.7Confident116 Ų11672.1 Ų72.144%0.43838%0.383SS..Hα-helixtrans-67.3-56.2176.5177.1-178.2175.3171.15.6112.7W85 S86 I87 G93 F96W85-R89 WeakPolarHBondContact O-CB 3.34Å; W85-R89 PolarHBondContact O-N 2.91Å; S86-R89 PolarHBondContact O-N 3.05Å; I87-R89 PolarHBondContact O-N 3.19Å; R89-G93 VanDerWaalsContact O-CA 3.32Å; R89-G93 WeakPolarHBondContact O-CA 3.43Å; R89-G93 PolarHBondContact O-N 3.1Å; R89-G93 VanDerWaalsContact O-N 3.17Å; R89-F96 VanDerWaalsContact NH1-CZ 3.34Å
90H81.8Confident79Confident135 Ų13568 Ų6863%0.62536%0.362SS*.Hα-helixtrans-80.7-29.8-167.2-68.580.2000113.1S86 I87S86-H90 WeakPolarHBondContact O-CB 3.37Å; S86-H90 PolarHBondContact O-N 2.98Å; S86-H90 PolarHBondContact O-ND1 3.41Å; S86-H90 PolarHBondContact OG-ND1 3.02Å; I87-H90 PolarHBondContact O-N 3.45Å
91V79.6Confident78.5Confident102 Ų10270.3 Ų70.362%0.61837%0.374SS*.Hα-helixtrans-94.8-44.3-177.4-177.60000111.2I87I87-V91 HydrophobicContact CG2-CB 4.31Å; I87-V91 HydrophobicContact CG2-CG2 3.99Å; I87-V91 VanDerWaalsContact O-CB 3.26Å; I87-V91 WeakPolarHBondContact O-CB 3.41Å; I87-V91 PolarHBondContact O-N 3.23Å
92Y77.3Confident78.3Confident90 Ų9074.7 Ų74.735%0.35340%0.4SS..Hα-helixtrans-100.3-1.6-174.2-61.8-88.3000113.6I87 L88 L94 D164 F167I87-Y92 HydrophobicContact CG2-CE2 4.33Å; L88-Y92 HydrophobicContact CD2-CD2 4.31Å; L88-Y92 CarbonylContact O-C 3.56Å; L88-Y92 WeakPolarHBondContact O-CB 3.32Å; L88-Y92 PolarHBondContact O-N 3.08Å; Y92-L94 PolarHBondContact O-N 3.2Å; Y92-D164 WeakPolarHBondContact CE1-OD2 3.25Å; Y92-D164 PolarHBondContact OH-OD1 2.63Å; Y92-D164 PolarHBondContact OH-OD2 2.86Å; Y92-D164 VanDerWaalsContact OH-OD2 3.09Å; Y92-F167 AromaticContact CD2-CZ 3.99Å; Y92-F167 HydrophobicContact CD2-CZ 3.99Å; Y92-F167 HydrophobicContact CE1-CE2 4.22Å; Y92-F167 HydrophobicContact CE1-CZ 4.46Å; Y92-F167 HydrophobicContact CE2-CE2 4.07Å; Y92-F167 AromaticContact CE2-CZ 3.61Å; Y92-F167 HydrophobicContact CE2-CZ 3.61Å; Y92-F167 AromaticContact CZ-CE2 3.81Å; Y92-F167 AromaticContact CZ-CZ 3.86Å
93G78.5Confident78.3Confident59 Ų5975.2 Ų75.261%0.60840%0.395SS*.  trans64.827.3176.400000113.7L88 R89L88-G93 PolarHBondContact O-N 3.42Å; R89-G93 VanDerWaalsContact O-CA 3.32Å; R89-G93 WeakPolarHBondContact O-CA 3.43Å; R89-G93 PolarHBondContact O-N 3.1Å; R89-G93 VanDerWaalsContact O-N 3.17Å
94L72.3Confident78.2Confident78 Ų7872 Ų7241%0.40838%0.378SS..PPolyproline II helixtrans-63.7125.7-174.5-131.5128.3000110.4L88 Y92L88-L94 HydrophobicContact CB-CD1 4.41Å; L88-L94 HydrophobicContact CD2-CD1 3.9Å; L88-L94 PolarHBondContact O-N 2.79Å; Y92-L94 PolarHBondContact O-N 3.2Å
95P73.5Confident78.4Confident70 Ų7074.9 Ų74.946%0.45540%0.397SS..PPolyproline II helixtrans-69.2149.1-177.325.9-32.7000111.9Y97P95-Y97 HydrophobicContact CB-CE2 4.46Å; P95-Y97 HydrophobicContact CG-CE2 3.72Å; P95-Y97 WeakPolarHBondContact CG-OH 3.46Å; P95-Y97 PolarHBondContact O-N 3.38Å
96F71Confident78.8Confident97 Ų9774.3 Ų74.343%0.42540%0.404SS..PPolyproline II helixtrans-72.4119.7170.6-91.9-98.9000110.4W85 R89 I101W85-F96 AromaticContact CH2-CD1 3.92Å; W85-F96 HydrophobicContact CH2-CD1 3.92Å; W85-F96 AromaticContact CH2-CE1 3.35Å; W85-F96 HydrophobicContact CH2-CE1 3.35Å; W85-F96 HydrophobicContact CH2-CE2 4.01Å; W85-F96 AromaticContact CH2-CZ 3.37Å; W85-F96 HydrophobicContact CH2-CZ 3.37Å; W85-F96 HydrophobicContact CZ2-CD1 4.38Å; W85-F96 HydrophobicContact CZ2-CE1 4.22Å; W85-F96 HydrophobicContact CZ2-CZ 4.41Å; W85-F96 HydrophobicContact CZ3-CE1 4.19Å; W85-F96 AromaticContact CZ3-CZ 3.9Å; W85-F96 HydrophobicContact CZ3-CZ 3.9Å; R89-F96 VanDerWaalsContact NH1-CZ 3.34Å; F96-I101 HydrophobicContact CD1-CD1 3.65Å; F96-I101 HydrophobicContact CD1-CG1 3.55Å; F96-I101 HydrophobicContact CE1-CD1 4.01Å; F96-I101 HydrophobicContact CE1-CG1 3.83Å
97Y73.7Confident79.3Confident77 Ų7772.9 Ų72.930%0.30239%0.391SS..  trans-105.5145.7160.9-59.2-73.8000109.4P95 Y99 T100 I101P95-Y97 HydrophobicContact CB-CE2 4.46Å; P95-Y97 HydrophobicContact CG-CE2 3.72Å; P95-Y97 WeakPolarHBondContact CG-OH 3.46Å; P95-Y97 PolarHBondContact O-N 3.38Å; Y97-Y99 HydrophobicContact CD1-CE1 4.47Å; Y97-Y99 AromaticContact CD2-CE1 3.71Å; Y97-Y99 HydrophobicContact CD2-CE1 3.71Å; Y97-Y99 HydrophobicContact CG-CD1 4.2Å; Y97-Y99 AromaticContact CG-CE1 3.54Å; Y97-Y99 HydrophobicContact CG-CE1 3.54Å; Y97-Y99 PolarHBondContact O-N 2.98Å; Y97-T100 WeakPolarHBondContact O-CB 3.44Å; Y97-T100 PolarHBondContact O-N 3.07Å; Y97-T100 PolarHBondContact O-OG1 3.31Å; Y97-I101 PolarHBondContact O-N 3.31Å
98G75.2Confident79.8Confident54 Ų5472.9 Ų72.956%0.55739%0.394SS*.Hα-helixtrans-54.1-38.618000000112.7T100 I101 V102G98-T100 VanDerWaalsContact C-N 3.27Å; G98-T100 PolarHBondContact O-N 3.41Å; G98-I101 PolarHBondContact O-N 3.16Å; G98-V102 WeakPolarHBondContact O-CG2 3.49Å; G98-V102 PolarHBondContact O-N 3.35Å
99Y74.6Confident80.6Confident103 Ų10376 Ų7640%0.40440%0.404SS..Hα-helixtrans-62.5-33.217779.4-96.6000112.7Y4 Y97 V102 Y103Y4-Y99 AromaticContact CD2-CE1 3.69Å; Y4-Y99 HydrophobicContact CD2-CE1 3.69Å; Y4-Y99 AromaticContact CD2-CE2 3.79Å; Y4-Y99 HydrophobicContact CD2-CE2 3.79Å; Y4-Y99 AromaticContact CD2-CZ 3.26Å; Y4-Y99 WeakPolarHBondContact CD2-OH 3.49Å; Y4-Y99 HydrophobicContact CE2-CD2 4.07Å; Y4-Y99 HydrophobicContact CE2-CE1 4.04Å; Y4-Y99 AromaticContact CE2-CE2 3.23Å; Y4-Y99 HydrophobicContact CE2-CE2 3.23Å; Y4-Y99 AromaticContact CE2-CZ 3.22Å; Y4-Y99 VanDerWaalsContact CE2-OH 3.24Å; Y4-Y99 WeakPolarHBondContact CE2-OH 3.43Å; Y4-Y99 HydrophobicContact CG-CE1 4.46Å; Y4-Y99 AromaticContact CZ-CE2 3.98Å; Y97-Y99 HydrophobicContact CD1-CE1 4.47Å; Y97-Y99 AromaticContact CD2-CE1 3.71Å; Y97-Y99 HydrophobicContact CD2-CE1 3.71Å; Y97-Y99 HydrophobicContact CG-CD1 4.2Å; Y97-Y99 AromaticContact CG-CE1 3.54Å; Y97-Y99 HydrophobicContact CG-CE1 3.54Å; Y97-Y99 PolarHBondContact O-N 2.98Å; Y99-V102 PolarHBondContact O-N 2.99Å; Y99-Y103 WeakPolarHBondContact O-CB 3.5Å; Y99-Y103 PolarHBondContact O-N 3.28Å
100T75.8Confident81.3Confident14 Ų1471 Ų719%0.08639%0.386CS..Hα-helixtrans-68.9-38.6-179.1-44.50000111.2W85 Y97 G98 Y103 Q104W85-T100 HydrophobicContact CZ2-CG2 3.56Å; Y97-T100 WeakPolarHBondContact O-CB 3.44Å; Y97-T100 PolarHBondContact O-N 3.07Å; Y97-T100 PolarHBondContact O-OG1 3.31Å; G98-T100 VanDerWaalsContact C-N 3.27Å; G98-T100 PolarHBondContact O-N 3.41Å; T100-Y103 PolarHBondContact O-N 2.9Å; T100-Q104 WeakPolarHBondContact O-CG 3.44Å; T100-Q104 PolarHBondContact O-N 3.4Å; T100-Q104 VanDerWaalsContact O-N 3.07Å
101I80Confident81.9Confident80 Ų8064.9 Ų64.941%0.4136%0.357SS..Hα-helixtrans-62.7-49174.2-56.9178000109.5F96 Y97 G98 Y103 Q104 V105F96-I101 HydrophobicContact CD1-CD1 3.65Å; F96-I101 HydrophobicContact CD1-CG1 3.55Å; F96-I101 HydrophobicContact CE1-CD1 4.01Å; F96-I101 HydrophobicContact CE1-CG1 3.83Å; Y97-I101 PolarHBondContact O-N 3.31Å; G98-I101 PolarHBondContact O-N 3.16Å; I101-Y103 VanDerWaalsContact C-N 3.31Å; I101-Y103 PolarHBondContact O-N 2.9Å; I101-Q104 PolarHBondContact O-N 2.87Å; I101-V105 HydrophobicContact CG2-CG2 4.34Å; I101-V105 WeakPolarHBondContact O-CG2 3.34Å; I101-V105 PolarHBondContact O-N 2.92Å
102V82.3Confident82.7Confident99 Ų9962.6 Ų62.660%0.635%0.346SS*.Hα-helixtrans-59-44.4179.9174.70000111G98 Y99 Q104 V105 A106G98-V102 WeakPolarHBondContact O-CG2 3.49Å; G98-V102 PolarHBondContact O-N 3.35Å; Y99-V102 PolarHBondContact O-N 2.99Å; V102-Q104 PolarHBondContact O-N 3.1Å; V102-V105 PolarHBondContact O-N 2.97Å; V102-A106 VanDerWaalsContact O-CB 3.28Å; V102-A106 WeakPolarHBondContact O-CB 3.49Å; V102-A106 PolarHBondContact O-N 2.68Å
103Y82.7Confident83.6Confident80 Ų8058.8 Ų58.831%0.31433%0.331SS..Hα-helixtrans-59.1-48176.6177.6-91000112.2A30 Y99 T100 I101 V105 A106 F107A30-Y103 HydrophobicContact CB-CE2 4.07Å; Y99-Y103 WeakPolarHBondContact O-CB 3.5Å; Y99-Y103 PolarHBondContact O-N 3.28Å; T100-Y103 PolarHBondContact O-N 2.9Å; I101-Y103 VanDerWaalsContact C-N 3.31Å; I101-Y103 PolarHBondContact O-N 2.9Å; Y103-V105 PolarHBondContact O-N 3.27Å; Y103-A106 PolarHBondContact O-N 3.22Å; Y103-F107 VanDerWaalsContact O-CB 3.27Å; Y103-F107 WeakPolarHBondContact O-CB 3.31Å; Y103-F107 PolarHBondContact O-N 3.48Å
104Q83.3Confident84.4Confident27 Ų2756 Ų5613%0.12630%0.303CS..Hα-helixtrans-64.3-42.5-179.4-71-64.4-15.500112.1W85 T100 I101 V102 F107 V108W85-Q104 VanDerWaalsContact CD1-NE2 3.3Å; W85-Q104 HydrophobicContact CD2-CG 4.17Å; W85-Q104 HydrophobicContact CG-CG 4.26Å; W85-Q104 VanDerWaalsContact CG-NE2 3.29Å; T100-Q104 WeakPolarHBondContact O-CG 3.44Å; T100-Q104 PolarHBondContact O-N 3.4Å; T100-Q104 VanDerWaalsContact O-N 3.07Å; I101-Q104 PolarHBondContact O-N 2.87Å; V102-Q104 PolarHBondContact O-N 3.1Å; Q104-F107 PolarHBondContact O-N 2.85Å; Q104-V108 WeakPolarHBondContact O-CG2 3.41Å; Q104-V108 PolarHBondContact O-N 3.42Å
105V86.8Confident85.5Confident96 Ų9654.2 Ų54.258%0.58229%0.293SS*.Hα-helixtrans-62.6-47.1176.4172.70000110.6I101 V102 Y103 F107 V108 Y109I101-V105 HydrophobicContact CG2-CG2 4.34Å; I101-V105 WeakPolarHBondContact O-CG2 3.34Å; I101-V105 PolarHBondContact O-N 2.92Å; V102-V105 PolarHBondContact O-N 2.97Å; Y103-V105 PolarHBondContact O-N 3.27Å; V105-F107 VanDerWaalsContact C-N 3.34Å; V105-F107 PolarHBondContact O-N 2.94Å; V105-V108 PolarHBondContact O-N 3.26Å; V105-Y109 VanDerWaalsContact O-CB 3.3Å; V105-Y109 WeakPolarHBondContact O-CB 3.29Å; V105-Y109 PolarHBondContact O-N 3.29Å
106A88.9Confident86.6Confident42 Ų4254 Ų5435%0.34729%0.288SS..Hα-helixtrans-63.7-39.6178.100000112.1V102 Y103 Y109 N110V102-A106 VanDerWaalsContact O-CB 3.28Å; V102-A106 WeakPolarHBondContact O-CB 3.49Å; V102-A106 PolarHBondContact O-N 2.68Å; Y103-A106 PolarHBondContact O-N 3.22Å; A106-Y109 PolarHBondContact O-N 3.33Å; A106-N110 WeakPolarHBondContact O-CB 3.5Å; A106-N110 VanDerWaalsContact O-CG 3.28Å; A106-N110 PolarHBondContact O-N 3.18Å; A106-N110 PolarHBondContact O-ND2 3.46Å
107F89.7Confident87.8Confident23 Ų2349.4 Ų49.410%0.10127%0.268CS..Hα-helixtrans-60.8-54.5176.9-178-87.5000111.1V81 Y103 Q104 V105 Y109 N110 W111V81-F107 HydrophobicContact CB-CD1 4.19Å; V81-F107 HydrophobicContact CB-CE1 3.58Å; V81-F107 HydrophobicContact CB-CZ 3.88Å; V81-F107 HydrophobicContact CG1-CD1 3.88Å; V81-F107 HydrophobicContact CG1-CE1 3.74Å; V81-F107 HydrophobicContact CG1-CE2 4.43Å; V81-F107 HydrophobicContact CG1-CG 4.31Å; V81-F107 HydrophobicContact CG1-CZ 4.05Å; V81-F107 HydrophobicContact CG2-CE1 3.72Å; V81-F107 HydrophobicContact CG2-CE2 4.19Å; V81-F107 HydrophobicContact CG2-CZ 3.46Å; V81-F107 VanDerWaalsContact CG2-CZ 3.46Å; Y103-F107 VanDerWaalsContact O-CB 3.27Å; Y103-F107 WeakPolarHBondContact O-CB 3.31Å; Y103-F107 PolarHBondContact O-N 3.48Å; Q104-F107 PolarHBondContact O-N 2.85Å; V105-F107 VanDerWaalsContact C-N 3.34Å; V105-F107 PolarHBondContact O-N 2.94Å; F107-Y109 VanDerWaalsContact C-N 3.28Å; F107-Y109 PolarHBondContact O-N 3Å; F107-N110 PolarHBondContact O-N 3.23Å; F107-W111 AromaticContact CD1-CD1 3.87Å; F107-W111 AromaticContact CD2-CD1 3.78Å; F107-W111 AromaticContact CD2-NE1 3.75Å; F107-W111 AromaticContact CE1-CD1 3.55Å; F107-W111 HydrophobicContact CE1-CG 4.32Å; F107-W111 AromaticContact CE1-NE1 3.97Å; F107-W111 AromaticContact CE2-CD1 3.47Å; F107-W111 VanDerWaalsContact CE2-CD1 3.47Å; F107-W111 AromaticContact CE2-NE1 3.12Å; F107-W111 AromaticContact CG-CD1 3.96Å; F107-W111 AromaticContact CZ-CD1 3.32Å; F107-W111 HydrophobicContact CZ-CG 4.24Å; F107-W111 AromaticContact CZ-NE1 3.23Å; F107-W111 VanDerWaalsContact O-CD1 3.26Å; F107-W111 PolarHBondContact O-N 2.71Å; F107-W111 VanDerWaalsContact O-N 3.07Å
108V91.3Very high88.7Confident56 Ų5645.8 Ų45.834%0.33925%0.254SS..Hα-helixtrans-59.6-42.1179.31730000110.7V82 Q104 V105 S112V82-V108 HydrophobicContact CG2-CG2 4.09Å; Q104-V108 WeakPolarHBondContact O-CG2 3.41Å; Q104-V108 PolarHBondContact O-N 3.42Å; V105-V108 PolarHBondContact O-N 3.26Å; V108-S112 VanDerWaalsContact O-CB 3.26Å; V108-S112 WeakPolarHBondContact O-CB 3.29Å; V108-S112 PolarHBondContact O-N 3.07Å; V108-S112 PolarHBondContact O-OG 3.24Å
109Y93.7Very high89.7Confident99 Ų9947.9 Ų47.939%0.38825%0.246SC..Hα-helixtrans-61-51.6177.7-179.1-87.7000112.3L38 N42 V105 A106 F107 W111 S112 L113L38-Y109 HydrophobicContact CD1-CD1 3.81Å; L38-Y109 HydrophobicContact CD1-CE1 3.5Å; N42-Y109 PolarHBondContact ND2-OH 3.45Å; N42-Y109 PolarHBondContact OD1-OH 2.94Å; V105-Y109 VanDerWaalsContact O-CB 3.3Å; V105-Y109 WeakPolarHBondContact O-CB 3.29Å; V105-Y109 PolarHBondContact O-N 3.29Å; A106-Y109 PolarHBondContact O-N 3.33Å; F107-Y109 VanDerWaalsContact C-N 3.28Å; F107-Y109 PolarHBondContact O-N 3Å; Y109-W111 PolarHBondContact O-N 3.4Å; Y109-S112 WeakPolarHBondContact O-CB 3.24Å; Y109-S112 PolarHBondContact O-N 3.49Å; Y109-L113 HydrophobicContact CE1-CD2 4.07Å; Y109-L113 WeakPolarHBondContact O-CB 3.37Å; Y109-L113 PolarHBondContact O-N 3.45Å
110N94.7Very high90.6Very high9 Ų943.8 Ų43.85%0.04823%0.23CC..Hα-helixtrans-63.3-40.8-176.7-76.6-24.1000112.4G34 M37 A106 F107 L113 S114 F141G34-N110 VanDerWaalsContact CA-ND2 3.29Å; G34-N110 WeakPolarHBondContact CA-ND2 3.25Å; G34-N110 PolarHBondContact O-ND2 2.87Å; G34-N110 VanDerWaalsContact O-ND2 3.16Å; M37-N110 HydrophobicContact CB-CB 4.29Å; M37-N110 HydrophobicContact CG-CB 3.95Å; A106-N110 WeakPolarHBondContact O-CB 3.5Å; A106-N110 VanDerWaalsContact O-CG 3.28Å; A106-N110 PolarHBondContact O-N 3.18Å; A106-N110 PolarHBondContact O-ND2 3.46Å; F107-N110 PolarHBondContact O-N 3.23Å; N110-L113 PolarHBondContact O-N 3Å; N110-S114 PolarHBondContact O-N 3.29Å; N110-F141 HydrophobicContact CB-CE2 4.22Å; N110-F141 HydrophobicContact CB-CZ 4.02Å
111W95.1Very high91.3Very high7 Ų743.6 Ų43.63%0.02723%0.229CC..Hα-helixtrans-71.8-33.2176.1-77.498.5000112.9T74 L77 M78 F107 Y109 S114 L115 F141 W142 L178 L181T74-W111 HydrophobicContact CG2-CE3 3.98Å; L77-W111 HydrophobicContact CD2-CD2 4.06Å; L77-W111 HydrophobicContact CD2-CE3 3.99Å; L77-W111 HydrophobicContact CD2-CH2 3.27Å; L77-W111 HydrophobicContact CD2-CZ2 3.36Å; L77-W111 HydrophobicContact CD2-CZ3 3.61Å; M78-W111 HydrophobicContact CG-CB 3.51Å; M78-W111 HydrophobicContact CG-CG 4.21Å; M78-W111 HydrophobicContact SD-CB 3.61Å; F107-W111 AromaticContact CD1-CD1 3.87Å; F107-W111 AromaticContact CD2-CD1 3.78Å; F107-W111 AromaticContact CD2-NE1 3.75Å; F107-W111 AromaticContact CE1-CD1 3.55Å; F107-W111 HydrophobicContact CE1-CG 4.32Å; F107-W111 AromaticContact CE1-NE1 3.97Å; F107-W111 AromaticContact CE2-CD1 3.47Å; F107-W111 VanDerWaalsContact CE2-CD1 3.47Å; F107-W111 AromaticContact CE2-NE1 3.12Å; F107-W111 AromaticContact CG-CD1 3.96Å; F107-W111 AromaticContact CZ-CD1 3.32Å; F107-W111 HydrophobicContact CZ-CG 4.24Å; F107-W111 AromaticContact CZ-NE1 3.23Å; F107-W111 VanDerWaalsContact O-CD1 3.26Å; F107-W111 PolarHBondContact O-N 2.71Å; F107-W111 VanDerWaalsContact O-N 3.07Å; Y109-W111 PolarHBondContact O-N 3.4Å; W111-S114 PolarHBondContact O-N 3.07Å; W111-L115 PolarHBondContact O-N 2.9Å; W111-F141 AromaticContact CD2-CE1 3.91Å; W111-F141 HydrophobicContact CD2-CE1 3.91Å; W111-F141 HydrophobicContact CD2-CZ 4.13Å; W111-F141 AromaticContact CE2-CE1 3.93Å; W111-F141 AromaticContact CE2-CZ 3.89Å; W111-F141 HydrophobicContact CE3-CE1 4.01Å; W111-F141 HydrophobicContact CG-CE1 4.47Å; W111-F141 HydrophobicContact CG-CZ 4.37Å; W111-F141 HydrophobicContact CH2-CE1 4.19Å; W111-F141 HydrophobicContact CZ2-CE1 4.07Å; W111-F141 HydrophobicContact CZ2-CZ 4.24Å; W111-F141 HydrophobicContact CZ3-CE1 4.16Å; W111-F141 AromaticContact NE1-CZ 3.97Å; W111-W142 AromaticContact CZ3-CD1 3.89Å; W111-L178 HydrophobicContact CH2-CD2 3.52Å; W111-L178 HydrophobicContact CZ2-CD2 3.63Å; W111-L181 HydrophobicContact CH2-CD1 4.2Å; W111-L181 HydrophobicContact CZ3-CD1 3.94Å
112S95.5Very high91.8Very high55 Ų5540.5 Ų40.539%0.38521%0.212SC..Hα-helixtrans-65-41171.6-59.90000111.5V108 Y109 L115 L116V108-S112 VanDerWaalsContact O-CB 3.26Å; V108-S112 WeakPolarHBondContact O-CB 3.29Å; V108-S112 PolarHBondContact O-N 3.07Å; V108-S112 PolarHBondContact O-OG 3.24Å; Y109-S112 WeakPolarHBondContact O-CB 3.24Å; Y109-S112 PolarHBondContact O-N 3.49Å; S112-L115 PolarHBondContact O-N 3.39Å; S112-L116 WeakPolarHBondContact O-CB 3.34Å; S112-L116 PolarHBondContact O-N 3.23Å
113L96.1Very high92.2Very high9 Ų937.5 Ų37.55%0.04719%0.191CC..Hα-helixtrans-65.5-40.9174.9-176.460000111.6M37 F45 Y109 N110 L115 L116 L117M37-L113 HydrophobicContact CE-CB 4.22Å; M37-L113 HydrophobicContact CE-CD2 4.32Å; M37-L113 HydrophobicContact CE-CG 4.04Å; F45-L113 HydrophobicContact CB-CD1 4.09Å; F45-L113 HydrophobicContact CG-CD1 4.46Å; Y109-L113 HydrophobicContact CE1-CD2 4.07Å; Y109-L113 WeakPolarHBondContact O-CB 3.37Å; Y109-L113 PolarHBondContact O-N 3.45Å; N110-L113 PolarHBondContact O-N 3Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 2.86Å; L113-L116 HydrophobicContact CD1-CD2 4.46Å; L113-L116 WeakPolarHBondContact O-CB 3.42Å; L113-L116 PolarHBondContact O-N 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.3Å; L113-L117 PolarHBondContact O-N 3.4Å
114S95.8Very high92.6Very high1 Ų136.5 Ų36.51%0.00719%0.187CC..Hα-helixtrans-58.7-45.1173.2179.90000111.8N110 W111 L116 L117 L118 L138 W142N110-S114 PolarHBondContact O-N 3.29Å; W111-S114 PolarHBondContact O-N 3.07Å; S114-L116 VanDerWaalsContact C-N 3.34Å; S114-L116 PolarHBondContact O-N 2.95Å; S114-L117 PolarHBondContact O-N 2.96Å; S114-L118 WeakPolarHBondContact O-CB 3.34Å; S114-L118 PolarHBondContact O-N 2.91Å; S114-L138 VanDerWaalsContact OG-CD2 3.32Å; S114-L138 WeakPolarHBondContact OG-CD2 3.31Å; S114-W142 PolarHBondContact OG-NE1 3.29Å
115L95.9Very high92.6Very high40 Ų4036.5 Ų36.521%0.20919%0.188CC..Hα-helixtrans-65.6-37177.1-173.560.9000112.4I71 T74 V75 M78 W111 S112 L113 L118 Y119I71-L115 HydrophobicContact CB-CD1 4.33Å; I71-L115 HydrophobicContact CG1-CD1 4.07Å; I71-L115 HydrophobicContact CG2-CD1 4.16Å; T74-L115 HydrophobicContact CG2-CB 4.09Å; T74-L115 HydrophobicContact CG2-CD1 4.15Å; V75-L115 HydrophobicContact CG2-CD2 3.99Å; M78-L115 HydrophobicContact CE-CD2 4.12Å; W111-L115 PolarHBondContact O-N 2.9Å; S112-L115 PolarHBondContact O-N 3.39Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 2.86Å; L115-L118 HydrophobicContact CD1-CD2 4.28Å; L115-L118 PolarHBondContact O-N 2.88Å; L115-Y119 PolarHBondContact O-N 2.95Å
116L96.5Very high92.4Very high66 Ų6633 Ų3335%0.34617%0.166SC..Hα-helixtrans-65.3-45.9175.9179.259.9000111.8F45 S112 L113 S114 L118 Y119 L120F45-L116 HydrophobicContact CD2-CD2 3.68Å; F45-L116 HydrophobicContact CD2-CG 4.24Å; F45-L116 HydrophobicContact CE2-CD2 3.54Å; F45-L116 HydrophobicContact CE2-CG 4.26Å; F45-L116 HydrophobicContact CG-CD2 4.48Å; F45-L116 HydrophobicContact CZ-CD2 4.23Å; S112-L116 WeakPolarHBondContact O-CB 3.34Å; S112-L116 PolarHBondContact O-N 3.23Å; L113-L116 HydrophobicContact CD1-CD2 4.46Å; L113-L116 WeakPolarHBondContact O-CB 3.42Å; L113-L116 PolarHBondContact O-N 3.29Å; S114-L116 VanDerWaalsContact C-N 3.34Å; S114-L116 PolarHBondContact O-N 2.95Å; L116-L118 VanDerWaalsContact C-N 3.34Å; L116-L118 PolarHBondContact O-N 3.36Å; L116-Y119 WeakPolarHBondContact O-CB 2.93Å; L116-Y119 PolarHBondContact O-N 3.44Å; L116-L120 HydrophobicContact CD1-CD1 4.37Å; L116-L120 HydrophobicContact CD1-CG 4.43Å; L116-L120 HydrophobicContact CG-CD1 4.11Å; L116-L120 VanDerWaalsContact O-CG 3.32Å; L116-L120 WeakPolarHBondContact O-CG 3.36Å; L116-L120 PolarHBondContact O-N 2.94Å
117L95.3Very high91.6Very high0 Ų036.1 Ų36.10%018%0.183CC..Hα-helixtrans-62.1-42.2175.6-69.2176.2000111.4M37 E44 F45 Y48 L113 S114 Y119 L120 E121 L138M37-L117 HydrophobicContact CE-CD1 4.06Å; E44-L117 HydrophobicContact CB-CD1 4.46Å; E44-L117 HydrophobicContact CB-CD2 4.15Å; E44-L117 HydrophobicContact CG-CD2 3.91Å; F45-L117 HydrophobicContact CB-CD2 4.17Å; Y48-L117 HydrophobicContact CD2-CD2 4.22Å; Y48-L117 HydrophobicContact CE2-CD2 4.49Å; L113-L117 WeakPolarHBondContact O-CG 3.3Å; L113-L117 PolarHBondContact O-N 3.4Å; S114-L117 PolarHBondContact O-N 2.96Å; L117-Y119 VanDerWaalsContact C-N 3.26Å; L117-Y119 PolarHBondContact O-N 3.34Å; L117-L120 HydrophobicContact CD2-CD1 4.39Å; L117-L120 PolarHBondContact O-N 3.31Å; L117-E121 WeakPolarHBondContact O-CG 3.47Å; L117-E121 PolarHBondContact O-N 3.49Å; L117-L138 HydrophobicContact CB-CD1 3.98Å; L117-L138 HydrophobicContact CB-CD2 4.12Å; L117-L138 HydrophobicContact CB-CG 4.22Å; L117-L138 HydrophobicContact CD1-CD2 4.32Å; L117-L138 HydrophobicContact CD1-CG 4.46Å
118L94.6Very high90.5Very high1 Ų137.9 Ų37.91%0.00520%0.198CC..Hα-helixtrans-57.7-37.6174.1178.163.4000112.6Y67 Q70 I71 S114 L115 L116 H134 W142Y67-L118 HydrophobicContact CD2-CD1 4.41Å; Y67-L118 HydrophobicContact CE2-CD1 4.12Å; Y67-L118 HydrophobicContact CE2-CG 4Å; Q70-L118 HydrophobicContact CB-CD2 4.44Å; Q70-L118 HydrophobicContact CG-CD2 3.96Å; I71-L118 HydrophobicContact CG1-CD2 4.13Å; S114-L118 WeakPolarHBondContact O-CB 3.34Å; S114-L118 PolarHBondContact O-N 2.91Å; L115-L118 HydrophobicContact CD1-CD2 4.28Å; L115-L118 PolarHBondContact O-N 2.88Å; L116-L118 VanDerWaalsContact C-N 3.34Å; L116-L118 PolarHBondContact O-N 3.36Å; L118-H134 WeakPolarHBondContact CD1-CE1 3.39Å; L118-W142 HydrophobicContact CD1-CH2 4.39Å
119Y94.9Very high88.7Confident99 Ų9940.5 Ų40.539%0.38822%0.216SC..Hα-helixtrans-69.1-44172.8171.6-93.2000111.7L115 L116 L117 R122 H123 Y124L115-Y119 PolarHBondContact O-N 2.95Å; L116-Y119 WeakPolarHBondContact O-CB 2.93Å; L116-Y119 PolarHBondContact O-N 3.44Å; L117-Y119 VanDerWaalsContact C-N 3.26Å; L117-Y119 PolarHBondContact O-N 3.34Å; Y119-R122 PolarHBondContact O-N 2.98Å; Y119-H123 AromaticContact CD2-CD2 3.46Å; Y119-H123 VanDerWaalsContact CD2-CD2 3.46Å; Y119-H123 WeakPolarHBondContact CD2-CD2 3.25Å; Y119-H123 AromaticContact CD2-NE2 3.9Å; Y119-H123 AromaticContact CE2-CD2 3.21Å; Y119-H123 WeakPolarHBondContact CE2-CD2 3.44Å; Y119-H123 AromaticContact CE2-NE2 3.55Å; Y119-H123 AromaticContact CZ-CD2 3.65Å; Y119-H123 PolarHBondContact O-CD2 3.13Å; Y119-H123 VanDerWaalsContact O-CD2 3.26Å; Y119-H123 PolarHBondContact O-N 3.27Å; Y119-Y124 HydrophobicContact CE1-CE2 4.21Å
120L94Very high86.8Confident16 Ų1639.2 Ų39.28%0.08422%0.22CC..Hα-helixtrans-63.9-46.7-178.6-70.6170.1000112F45 Y48 L116 L117 R122 H123 Y124F45-L120 HydrophobicContact CD2-CD1 3.68Å; F45-L120 HydrophobicContact CE2-CD1 4.11Å; Y48-L120 HydrophobicContact CD1-CB 3.93Å; Y48-L120 HydrophobicContact CD2-CB 4.15Å; Y48-L120 HydrophobicContact CD2-CD1 4.23Å; Y48-L120 HydrophobicContact CE1-CB 4.13Å; Y48-L120 HydrophobicContact CE2-CB 4.34Å; Y48-L120 HydrophobicContact CG-CB 3.96Å; Y48-L120 HydrophobicContact CG-CD1 4.04Å; Y48-L120 HydrophobicContact CG-CG 4.46Å; L116-L120 HydrophobicContact CD1-CD1 4.37Å; L116-L120 HydrophobicContact CD1-CG 4.43Å; L116-L120 HydrophobicContact CG-CD1 4.11Å; L116-L120 VanDerWaalsContact O-CG 3.32Å; L116-L120 WeakPolarHBondContact O-CG 3.36Å; L116-L120 PolarHBondContact O-N 2.94Å; L117-L120 HydrophobicContact CD2-CD1 4.39Å; L117-L120 PolarHBondContact O-N 3.31Å; L120-R122 PolarHBondContact O-N 2.91Å; L120-H123 PolarHBondContact O-N 2.71Å; L120-Y124 HydrophobicContact CD2-CD2 3.64Å; L120-Y124 HydrophobicContact CD2-CE2 3.88Å; L120-Y124 HydrophobicContact CD2-CG 4.31Å; L120-Y124 WeakPolarHBondContact O-CA 3.24Å; L120-Y124 WeakPolarHBondContact O-CB 3.29Å; L120-Y124 PolarHBondContact O-N 3.41Å
121E90.8Very high85Confident11 Ų1142.4 Ų42.45%0.05124%0.24CC..Hα-helixtrans-58.3-30.9177.8-75.4179.7146.300113.9Y48 L117 H134 S135 L138Y48-E121 HydrophobicContact CE2-CG 4.4Å; Y48-E121 VanDerWaalsContact OH-CG 3.25Å; Y48-E121 WeakPolarHBondContact OH-CG 3.49Å; L117-E121 WeakPolarHBondContact O-CG 3.47Å; L117-E121 PolarHBondContact O-N 3.49Å; E121-H134 WeakPolarHBondContact OE1-CA 3.21Å; E121-H134 IonicContact OE2-CE1 2.61Å; E121-H134 IonicContact OE2-CG 3.94Å; E121-H134 IonicContact OE2-ND1 3.51Å; E121-H134 PolarHBondContact OE2-ND1 2.78Å; E121-S135 VanDerWaalsContact OE1-CB 3.23Å; E121-S135 WeakPolarHBondContact OE1-CB 3.32Å; E121-S135 PolarHBondContact OE1-N 3.25Å; E121-S135 PolarHBondContact OE1-OG 2.95Å; E121-L138 WeakPolarHBondContact OE2-CD1 3.42Å
122R90.3Very high83.7Confident14 Ų1454 Ų545%0.05328%0.284CS..Hα-helixtrans-73.3-41.5174.5175.8169.9-178.773.18.3111.7F55 L60 P64 Y67 Y119 L120 G190F55-R122 VanDerWaalsContact CD2-O 3.25Å; F55-R122 WeakPolarHBondContact CD2-O 3.18Å; L60-R122 HydrophobicContact CD2-CG 4.34Å; L60-R122 WeakPolarHBondContact CD2-O 3.32Å; L60-R122 PolarHBondContact O-NH2 2.9Å; P64-R122 VanDerWaalsContact CD-NH1 3.28Å; Y67-R122 HydrophobicContact CE2-CB 4.2Å; Y119-R122 PolarHBondContact O-N 2.98Å; L120-R122 PolarHBondContact O-N 2.91Å; R122-G190 WeakPolarHBondContact CG-O 3.38Å; R122-G190 PolarHBondContact NH1-O 3.01Å
123H90.5Very high83.1Confident36 Ų3652 Ų5217%0.16727%0.272CS..Hα-helixtrans-103.3-16.4-164.4-73.3-66.1000115F55 Y119 L120F55-H123 VanDerWaalsContact CD2-C 3.42Å; F55-H123 PolarHBondContact N-O 3.24Å; Y119-H123 AromaticContact CD2-CD2 3.46Å; Y119-H123 VanDerWaalsContact CD2-CD2 3.46Å; Y119-H123 WeakPolarHBondContact CD2-CD2 3.25Å; Y119-H123 AromaticContact CD2-NE2 3.9Å; Y119-H123 AromaticContact CE2-CD2 3.21Å; Y119-H123 WeakPolarHBondContact CE2-CD2 3.44Å; Y119-H123 AromaticContact CE2-NE2 3.55Å; Y119-H123 AromaticContact CZ-CD2 3.65Å; Y119-H123 PolarHBondContact O-CD2 3.13Å; Y119-H123 VanDerWaalsContact O-CD2 3.26Å; Y119-H123 PolarHBondContact O-N 3.27Å; L120-H123 PolarHBondContact O-N 2.71Å
124Y90.1Very high82.8Confident60 Ų6052.1 Ų52.124%0.23527%0.272CS..EExtended strand (participates in β ladder)trans-132.8147.3-173-65-96.2000110.6S52 S53 R54 F55 Y119 L120S52-Y124 WeakPolarHBondContact OG-CD1 3.23Å; S53-Y124 CarbonylContact O-C 3.52Å; S53-Y124 WeakPolarHBondContact O-CA 3.41Å; R54-Y124 HydrophobicContact CB-CD1 4.2Å; R54-Y124 HydrophobicContact CB-CE1 4.09Å; R54-Y124 HydrophobicContact CG-CD1 4.48Å; R54-Y124 HydrophobicContact CG-CE1 4.2Å; F55-Y124 WeakPolarHBondContact CE2-O 3.42Å; Y119-Y124 HydrophobicContact CE1-CE2 4.21Å; L120-Y124 HydrophobicContact CD2-CD2 3.64Å; L120-Y124 HydrophobicContact CD2-CE2 3.88Å; L120-Y124 HydrophobicContact CD2-CG 4.31Å; L120-Y124 WeakPolarHBondContact O-CA 3.24Å; L120-Y124 WeakPolarHBondContact O-CB 3.29Å; L120-Y124 PolarHBondContact O-N 3.41Å
125D84.3Confident82.5Confident26 Ų2652.9 Ų52.914%0.13928%0.277CS..EExtended strand (participates in β ladder)trans-111131.4-179.7-169.911000110.7S52 S53 F55 R197S52-D125 CarbonylContact C-O 3.34Å; S52-D125 WeakPolarHBondContact CA-O 3.44Å; S52-D125 VanDerWaalsContact CB-O 3.26Å; S52-D125 WeakPolarHBondContact CB-O 3.41Å; S53-D125 PolarHBondContact N-O 3.45Å; S53-D125 PolarHBondContact O-N 3.35Å; F55-D125 HydrophobicContact CD1-CB 4.2Å; F55-D125 HydrophobicContact CE1-CB 3.63Å; F55-D125 HydrophobicContact CE2-CB 4.43Å; F55-D125 HydrophobicContact CZ-CB 3.76Å; D125-R197 VanDerWaalsContact CG-NH1 3.26Å; D125-R197 IonicContact OD1-CZ 2.61Å; D125-R197 IonicContact OD1-NE 2.81Å; D125-R197 IonicContact OD1-NH1 2.95Å; D125-R197 PolarHBondContact OD1-NH1 3.03Å; D125-R197 IonicContact OD1-NH2 2.63Å; D125-R197 PolarHBondContact OD1-NH2 3.09Å; D125-R197 IonicContact OD2-CZ 3.06Å; D125-R197 IonicContact OD2-NE 3.03Å; D125-R197 PolarHBondContact OD2-NE 2.91Å; D125-R197 VanDerWaalsContact OD2-NE 3.09Å; D125-R197 IonicContact OD2-NH1 2.8Å; D125-R197 PolarHBondContact OD2-NH1 2.81Å; D125-R197 IonicContact OD2-NH2 3.57Å; D125-R197 PolarHBondContact OD2-NH2 2.78Å
126L83Confident82.2Confident22 Ų2256.1 Ų56.112%0.11530%0.299CS..  trans-92.4146.3170.5-77.3170.7000110.2M47 Y48 S128M47-L126 HydrophobicContact CB-CD2 4.02Å; Y48-L126 HydrophobicContact CD1-CD1 4.39Å; Y48-L126 HydrophobicContact CD1-CD2 4.24Å; Y48-L126 HydrophobicContact CD1-CG 4Å; Y48-L126 HydrophobicContact CD2-CD1 4.03Å; Y48-L126 HydrophobicContact CD2-CG 4.47Å; Y48-L126 HydrophobicContact CE1-CD1 4Å; Y48-L126 HydrophobicContact CE1-CD2 4.46Å; Y48-L126 HydrophobicContact CE1-CG 3.73Å; Y48-L126 HydrophobicContact CE2-CD1 3.6Å; Y48-L126 HydrophobicContact CE2-CG 4.23Å; Y48-L126 HydrophobicContact CG-CD1 4.38Å; Y48-L126 HydrophobicContact CG-CD2 4.34Å; Y48-L126 HydrophobicContact CG-CG 4.34Å; L126-S128 PolarHBondContact O-N 3.45Å
127P70.6Confident82Confident108 Ų10854 Ų5470%0.70129%0.288SS*.SBendtrans-74.963.5175.532.2-34.8000110.9Y51Y51-P127 WeakPolarHBondContact O-CD 3.49Å
128S67.6Low81.9Confident60 Ų6054 Ų5442%0.4229%0.288SS..SBendtrans-133163.1176.260.70000109.5L126L126-S128 PolarHBondContact O-N 3.45Å
129P52.8Low81.8Confident111 Ų11156 Ų5672%0.72130%0.299SS*.SBendtrans-52138.2173.6-22.932.2000110.5T131P129-T131 PolarHBondContact O-N 2.84Å; P129-T131 VanDerWaalsContact O-N 3.1Å
130P54.9Low81.7Confident72 Ų7255.4 Ų55.447%0.46830%0.301SS..PPolyproline II helixtrans-59.6118.8-175.721.6-31.1000110.2
131T56.2Low81.7Confident77 Ų7754.8 Ų54.847%0.47230%0.298SS..PPolyproline II helixtrans-73.9139.8-176.853.50000110.7P129 G133P129-T131 PolarHBondContact O-N 2.84Å; P129-T131 VanDerWaalsContact O-N 3.1Å; T131-G133 WeakPolarHBondContact CB-O 3.27Å; T131-G133 PolarHBondContact O-N 3.39Å; T131-G133 PolarHBondContact OG1-O 2.89Å
132R67.4Low81.9Confident251 Ų25154.3 Ų54.395%0.94730%0.296SS*.SBendtrans-8157.7170.5-69.2-174.4178.9177.1-0.3110.5
133G84.5Confident82.1Confident13 Ų1354.4 Ų54.413%0.13430%0.302CS..SBendtrans126.2-160.8179.200000113.9T131 A188T131-G133 WeakPolarHBondContact CB-O 3.27Å; T131-G133 PolarHBondContact O-N 3.39Å; T131-G133 PolarHBondContact OG1-O 2.89Å; G133-A188 VanDerWaalsContact CA-CB 3.45Å
134H89.5Confident82.1Confident11 Ų1154.5 Ų54.55%0.05131%0.306CS..SBendtrans-65.1160.6177.9-66.1-57.2000112.2Q70 L118 E121 L138 N139 W142 G185 A188 V191Q70-H134 PolarHBondContact NE2-NE2 3.33Å; L118-H134 WeakPolarHBondContact CD1-CE1 3.39Å; E121-H134 WeakPolarHBondContact OE1-CA 3.21Å; E121-H134 IonicContact OE2-CE1 2.61Å; E121-H134 IonicContact OE2-CG 3.94Å; E121-H134 IonicContact OE2-ND1 3.51Å; E121-H134 PolarHBondContact OE2-ND1 2.78Å; H134-L138 HydrophobicContact CB-CB 4.43Å; H134-L138 HydrophobicContact CB-CD1 4.47Å; H134-N139 PolarHBondContact O-ND2 2.91Å; H134-N139 VanDerWaalsContact O-ND2 3.12Å; H134-W142 HydrophobicContact CB-CZ3 4.23Å; H134-W142 AromaticContact CD2-CH2 3.74Å; H134-W142 AromaticContact CD2-CZ3 3.56Å; H134-W142 AromaticContact CG-CZ3 3.99Å; H134-G185 PolarHBondContact CD2-O 2.95Å; H134-G185 VanDerWaalsContact CD2-O 3.24Å; H134-A188 WeakPolarHBondContact NE2-CA 3.32Å; H134-V191 WeakPolarHBondContact ND1-CG2 3.46Å
135S88.9Confident82.2Confident17 Ų1752.2 Ų52.212%0.11930%0.299CS..  trans-60.7153.7178.873.50000111.6E44 E121 T137 L138 N139E44-S135 VanDerWaalsContact CD-OG 3.26Å; E44-S135 WeakPolarHBondContact OE1-CB 3.28Å; E44-S135 PolarHBondContact OE1-OG 3.37Å; E44-S135 PolarHBondContact OE2-OG 2.02Å; E121-S135 VanDerWaalsContact OE1-CB 3.23Å; E121-S135 WeakPolarHBondContact OE1-CB 3.32Å; E121-S135 PolarHBondContact OE1-N 3.25Å; E121-S135 PolarHBondContact OE1-OG 2.95Å; S135-T137 PolarHBondContact O-N 3.42Å; S135-L138 PolarHBondContact O-N 2.97Å; S135-L138 PolarHBondContact OG-N 3.21Å; S135-N139 PolarHBondContact O-N 3.13Å; S135-N139 VanDerWaalsContact O-N 3.1Å; S135-N139 PolarHBondContact O-ND2 3.42Å
136V89.5Confident82.7Confident108 Ų10851.8 Ų51.866%0.65530%0.296SS*.Hα-helixtrans-58.6-36.5175.9176.70000110.3N139 I140V136-N139 PolarHBondContact O-N 2.99Å; V136-I140 HydrophobicContact CG1-CD1 3.53Å; V136-I140 HydrophobicContact CG1-CG1 4.1Å; V136-I140 WeakPolarHBondContact O-CB 3.37Å; V136-I140 VanDerWaalsContact O-CG1 3.24Å; V136-I140 WeakPolarHBondContact O-CG1 3.25Å; V136-I140 PolarHBondContact O-N 2.91Å
137T91.6Very high83Confident21 Ų2153.2 Ų53.213%0.12931%0.312CS..Hα-helixtrans-58-51.2176.9-46.30000111.9M36 M37 F40 E44 S135 F141M36-T137 HydrophobicContact CE-CG2 3.52Å; M37-T137 HydrophobicContact SD-CG2 4.22Å; F40-T137 HydrophobicContact CB-CG2 3.97Å; E44-T137 WeakPolarHBondContact OE2-CB 3.44Å; E44-T137 PolarHBondContact OE2-OG1 2.99Å; S135-T137 PolarHBondContact O-N 3.42Å; T137-F141 VanDerWaalsContact O-CB 3.28Å; T137-F141 WeakPolarHBondContact O-CB 3.45Å; T137-F141 PolarHBondContact O-N 3.35Å
138L93.7Very high83.8Confident0 Ų049 Ų490%028%0.283CS..Hα-helixtrans-66.1-44.4-179.4-78177.2000112.1M37 S114 L117 E121 H134 S135 F141 W142M37-L138 HydrophobicContact CE-CD2 4.43Å; S114-L138 VanDerWaalsContact OG-CD2 3.32Å; S114-L138 WeakPolarHBondContact OG-CD2 3.31Å; L117-L138 HydrophobicContact CB-CD1 3.98Å; L117-L138 HydrophobicContact CB-CD2 4.12Å; L117-L138 HydrophobicContact CB-CG 4.22Å; L117-L138 HydrophobicContact CD1-CD2 4.32Å; L117-L138 HydrophobicContact CD1-CG 4.46Å; E121-L138 WeakPolarHBondContact OE2-CD1 3.42Å; H134-L138 HydrophobicContact CB-CB 4.43Å; H134-L138 HydrophobicContact CB-CD1 4.47Å; S135-L138 PolarHBondContact O-N 2.97Å; S135-L138 PolarHBondContact OG-N 3.21Å; L138-F141 PolarHBondContact O-N 2.97Å; L138-W142 HydrophobicContact CB-CE3 4.33Å; L138-W142 HydrophobicContact CB-CH2 3.9Å; L138-W142 HydrophobicContact CB-CZ2 4.15Å; L138-W142 HydrophobicContact CB-CZ3 3.98Å; L138-W142 HydrophobicContact CD1-CH2 3.98Å; L138-W142 HydrophobicContact CD1-CZ2 4.23Å; L138-W142 HydrophobicContact CD2-CH2 4.35Å; L138-W142 HydrophobicContact CD2-CZ2 3.85Å; L138-W142 HydrophobicContact CG-CH2 4.32Å; L138-W142 HydrophobicContact CG-CZ2 4.32Å; L138-W142 PolarHBondContact O-N 3.19Å
139N92.7Very high84.8Confident42 Ų4247 Ų4723%0.22527%0.267CS..Hα-helixtrans-63.6-43.3179.3-75.3-39.3000112.1H134 S135 V136 G143H134-N139 PolarHBondContact O-ND2 2.91Å; H134-N139 VanDerWaalsContact O-ND2 3.12Å; S135-N139 PolarHBondContact O-N 3.13Å; S135-N139 VanDerWaalsContact O-N 3.1Å; S135-N139 PolarHBondContact O-ND2 3.42Å; V136-N139 PolarHBondContact O-N 2.99Å; N139-G143 PolarHBondContact O-N 3.19Å
140I91.9Very high86.5Confident87 Ų8743.6 Ų43.645%0.44625%0.246SC..Hα-helixtrans-62-47.1173.5-70.5175.7000109.6M36 V136 W142 G143 S144M36-I140 HydrophobicContact SD-CG2 3.98Å; V136-I140 HydrophobicContact CG1-CD1 3.53Å; V136-I140 HydrophobicContact CG1-CG1 4.1Å; V136-I140 WeakPolarHBondContact O-CB 3.37Å; V136-I140 VanDerWaalsContact O-CG1 3.24Å; V136-I140 WeakPolarHBondContact O-CG1 3.25Å; V136-I140 PolarHBondContact O-N 2.91Å; I140-W142 PolarHBondContact O-N 3.07Å; I140-G143 PolarHBondContact O-N 3.48Å; I140-S144 VanDerWaalsContact O-CB 3.25Å; I140-S144 WeakPolarHBondContact O-CB 3.47Å; I140-S144 PolarHBondContact O-N 3Å; I140-S144 PolarHBondContact O-OG 3.25Å
141F94.7Very high87.7Confident3 Ų342.3 Ų42.31%0.01324%0.235CC..Hα-helixtrans-60.4-47.4-177.6179.4-112.7000112.6L33 M37 N110 W111 T137 L138 S144 S145L33-F141 HydrophobicContact CD1-CD2 3.98Å; L33-F141 HydrophobicContact CD1-CE2 4.42Å; M37-F141 HydrophobicContact CB-CD2 3.58Å; M37-F141 HydrophobicContact CB-CE2 3.69Å; M37-F141 HydrophobicContact CB-CG 4.38Å; M37-F141 HydrophobicContact CE-CD1 4.3Å; M37-F141 HydrophobicContact CE-CG 4.46Å; M37-F141 HydrophobicContact CG-CD1 4.48Å; M37-F141 HydrophobicContact CG-CD2 3.67Å; M37-F141 HydrophobicContact CG-CE2 3.71Å; M37-F141 HydrophobicContact CG-CG 4.07Å; M37-F141 HydrophobicContact CG-CZ 4.15Å; M37-F141 HydrophobicContact SD-CB 3.87Å; M37-F141 HydrophobicContact SD-CD1 4.06Å; M37-F141 HydrophobicContact SD-CD2 3.83Å; M37-F141 HydrophobicContact SD-CE2 4.39Å; M37-F141 HydrophobicContact SD-CG 3.64Å; N110-F141 HydrophobicContact CB-CE2 4.22Å; N110-F141 HydrophobicContact CB-CZ 4.02Å; W111-F141 AromaticContact CD2-CE1 3.91Å; W111-F141 HydrophobicContact CD2-CE1 3.91Å; W111-F141 HydrophobicContact CD2-CZ 4.13Å; W111-F141 AromaticContact CE2-CE1 3.93Å; W111-F141 AromaticContact CE2-CZ 3.89Å; W111-F141 HydrophobicContact CE3-CE1 4.01Å; W111-F141 HydrophobicContact CG-CE1 4.47Å; W111-F141 HydrophobicContact CG-CZ 4.37Å; W111-F141 HydrophobicContact CH2-CE1 4.19Å; W111-F141 HydrophobicContact CZ2-CE1 4.07Å; W111-F141 HydrophobicContact CZ2-CZ 4.24Å; W111-F141 HydrophobicContact CZ3-CE1 4.16Å; W111-F141 AromaticContact NE1-CZ 3.97Å; T137-F141 VanDerWaalsContact O-CB 3.28Å; T137-F141 WeakPolarHBondContact O-CB 3.45Å; T137-F141 PolarHBondContact O-N 3.35Å; L138-F141 PolarHBondContact O-N 2.97Å; F141-S144 PolarHBondContact O-OG 3.43Å; F141-S145 VanDerWaalsContact O-CB 3.24Å; F141-S145 WeakPolarHBondContact O-CB 3.12Å; F141-S145 PolarHBondContact O-N 3.5Å; F141-S145 PolarHBondContact O-OG 2.92Å
142W94.9Very high88.7Confident1 Ų141 Ų410%0.00423%0.225CC..Hα-helixtrans-68.1-45.1177.6-61.4-34000112.2W111 S114 L118 H134 L138 I140 S145 L146 F182W111-W142 AromaticContact CZ3-CD1 3.89Å; S114-W142 PolarHBondContact OG-NE1 3.29Å; L118-W142 HydrophobicContact CD1-CH2 4.39Å; H134-W142 HydrophobicContact CB-CZ3 4.23Å; H134-W142 AromaticContact CD2-CH2 3.74Å; H134-W142 AromaticContact CD2-CZ3 3.56Å; H134-W142 AromaticContact CG-CZ3 3.99Å; L138-W142 HydrophobicContact CB-CE3 4.33Å; L138-W142 HydrophobicContact CB-CH2 3.9Å; L138-W142 HydrophobicContact CB-CZ2 4.15Å; L138-W142 HydrophobicContact CB-CZ3 3.98Å; L138-W142 HydrophobicContact CD1-CH2 3.98Å; L138-W142 HydrophobicContact CD1-CZ2 4.23Å; L138-W142 HydrophobicContact CD2-CH2 4.35Å; L138-W142 HydrophobicContact CD2-CZ2 3.85Å; L138-W142 HydrophobicContact CG-CH2 4.32Å; L138-W142 HydrophobicContact CG-CZ2 4.32Å; L138-W142 PolarHBondContact O-N 3.19Å; I140-W142 PolarHBondContact O-N 3.07Å; W142-S145 PolarHBondContact O-N 3.42Å; W142-L146 WeakPolarHBondContact O-CB 3.48Å; W142-L146 PolarHBondContact O-N 3.48Å; W142-F182 HydrophobicContact CB-CD2 4.49Å
143G94.3Very high89.2Confident17 Ų1733.2 Ų33.218%0.17520%0.198CC..Hα-helixtrans-63.5-42.9-179.500000112.7N139 I140 L146 A147 F182N139-G143 PolarHBondContact O-N 3.19Å; I140-G143 PolarHBondContact O-N 3.48Å; G143-L146 PolarHBondContact O-N 3.24Å; G143-A147 WeakPolarHBondContact O-CB 2.98Å; G143-A147 PolarHBondContact O-N 3.47Å; G143-F182 VanDerWaalsContact CA-CD2 3.48Å
144S91.6Very high88.7Confident38 Ų3835.4 Ų35.427%0.26621%0.209SC..Hα-helixtrans-72.7-33.1176.656.40000113L33 I140 F141 A147 L148L33-S144 WeakPolarHBondContact CD1-OG 3.29Å; I140-S144 VanDerWaalsContact O-CB 3.25Å; I140-S144 WeakPolarHBondContact O-CB 3.47Å; I140-S144 PolarHBondContact O-N 3Å; I140-S144 PolarHBondContact O-OG 3.25Å; F141-S144 PolarHBondContact O-OG 3.43Å; S144-A147 PolarHBondContact O-N 3.5Å; S144-L148 WeakPolarHBondContact O-CB 3.28Å; S144-L148 PolarHBondContact O-N 2.77Å
145S92.7Very high87.7Confident11 Ų1137.3 Ų37.38%0.07722%0.219CC..Hα-helixtrans-63.1-42.6171-63.60000111.8F141 W142 E149F141-S145 VanDerWaalsContact O-CB 3.24Å; F141-S145 WeakPolarHBondContact O-CB 3.12Å; F141-S145 PolarHBondContact O-N 3.5Å; F141-S145 PolarHBondContact O-OG 2.92Å; W142-S145 PolarHBondContact O-N 3.42Å; S145-E149 PolarHBondContact O-N 3.23Å
146L94Very high86.8Confident17 Ų1739.8 Ų39.89%0.08923%0.228CC..Hα-helixtrans-64.8-43.9173.2174.262.2000111.5W142 G143 L148 E149 S150 L178 L179 F182W142-L146 WeakPolarHBondContact O-CB 3.48Å; W142-L146 PolarHBondContact O-N 3.48Å; G143-L146 PolarHBondContact O-N 3.24Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 PolarHBondContact O-N 3.26Å; L146-E149 PolarHBondContact O-N 3.35Å; L146-S150 WeakPolarHBondContact O-CB 3.35Å; L146-S150 PolarHBondContact O-N 3.34Å; L146-S150 PolarHBondContact O-OG 3.41Å; L146-L178 HydrophobicContact CB-CB 4.31Å; L146-L178 HydrophobicContact CD1-CB 4Å; L146-L179 HydrophobicContact CD1-CB 4.14Å; L146-L179 HydrophobicContact CD2-CD1 3.94Å; L146-F182 HydrophobicContact CD2-CB 3.83Å; L146-F182 HydrophobicContact CD2-CD1 3.76Å; L146-F182 HydrophobicContact CD2-CG 3.9Å
147A90Very high85.3Confident53 Ų5339.2 Ų39.244%0.43822%0.221SC..Hα-helixtrans-60.4-43.3178.100000111.1G143 S144 E149 S150 L151G143-A147 WeakPolarHBondContact O-CB 2.98Å; G143-A147 PolarHBondContact O-N 3.47Å; S144-A147 PolarHBondContact O-N 3.5Å; A147-E149 PolarHBondContact O-N 2.92Å; A147-S150 WeakPolarHBondContact O-CA 3.34Å; A147-S150 WeakPolarHBondContact O-CB 3.43Å; A147-S150 PolarHBondContact O-N 3.42Å; A147-L151 WeakPolarHBondContact O-CG 3.22Å; A147-L151 PolarHBondContact O-N 3.21Å
148L87Confident83.6Confident19 Ų1942 Ų4210%0.09925%0.254CS..Hα-helixtrans-57.7-49.7177.3-17860.9000112I25 I29 A30 L33 S144 L146 S150 L151I25-L148 HydrophobicContact CG2-CD1 3.67Å; I29-L148 HydrophobicContact CB-CD1 3.92Å; I29-L148 HydrophobicContact CD1-CD1 4.45Å; I29-L148 HydrophobicContact CG2-CD1 3.59Å; A30-L148 HydrophobicContact CB-CD2 4.48Å; L33-L148 HydrophobicContact CD2-CD2 4.03Å; S144-L148 WeakPolarHBondContact O-CB 3.28Å; S144-L148 PolarHBondContact O-N 2.77Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 PolarHBondContact O-N 3.26Å; L148-S150 VanDerWaalsContact C-N 3.26Å; L148-S150 PolarHBondContact O-N 2.85Å; L148-L151 WeakPolarHBondContact O-CB 3.46Å; L148-L151 PolarHBondContact O-N 2.83Å
149E87.7Confident81.5Confident18 Ų1851.9 Ų51.98%0.08430%0.297CS..Hα-helixtrans-65.9-31.4175.2-71.6-58.7144.500112.4S145 L146 A147 L151 L152 F171 K174 L178S145-E149 PolarHBondContact O-N 3.23Å; L146-E149 PolarHBondContact O-N 3.35Å; A147-E149 PolarHBondContact O-N 2.92Å; E149-L151 VanDerWaalsContact C-N 3.31Å; E149-L151 PolarHBondContact O-N 3.14Å; E149-L152 WeakPolarHBondContact O-CB 3.47Å; E149-L152 PolarHBondContact O-N 3.24Å; E149-F171 WeakPolarHBondContact O-CE2 3.39Å; E149-F171 WeakPolarHBondContact O-CZ 3.46Å; E149-K174 HydrophobicContact CG-CD 4.31Å; E149-K174 WeakPolarHBondContact OE1-CE 3.37Å; E149-K174 IonicContact OE1-NZ 2.72Å; E149-K174 PolarHBondContact OE1-NZ 2.88Å; E149-K174 IonicContact OE2-NZ 3.58Å; E149-L178 HydrophobicContact CB-CD1 3.97Å; E149-L178 HydrophobicContact CG-CD1 3.29Å
150S87.9Confident79.4Confident40 Ų4052.9 Ų52.928%0.2831%0.311SS..Hα-helixtrans-70.1-27.8179.1-57.70000112.7L146 A147 L148 L152 F153 W175L146-S150 WeakPolarHBondContact O-CB 3.35Å; L146-S150 PolarHBondContact O-N 3.34Å; L146-S150 PolarHBondContact O-OG 3.41Å; A147-S150 WeakPolarHBondContact O-CA 3.34Å; A147-S150 WeakPolarHBondContact O-CB 3.43Å; A147-S150 PolarHBondContact O-N 3.42Å; L148-S150 VanDerWaalsContact C-N 3.26Å; L148-S150 PolarHBondContact O-N 2.85Å; S150-L152 PolarHBondContact O-N 2.97Å; S150-F153 WeakPolarHBondContact O-CB 3.25Å; S150-F153 PolarHBondContact O-N 3.42Å; S150-W175 PolarHBondContact OG-NE1 3.35Å
151L81.6Confident77.4Confident44 Ų4453.1 Ų53.123%0.2332%0.32CS..Hα-helixtrans-60.6-28.2174.8-69174.3000112.4F20 I25 I29 A147 L148 E149 F153 V154F20-L151 HydrophobicContact CD2-CD2 4.09Å; F20-L151 HydrophobicContact CE2-CD2 3.68Å; F20-L151 HydrophobicContact CZ-CD2 4.03Å; I25-L151 HydrophobicContact CD1-CB 4.4Å; I29-L151 HydrophobicContact CD1-CD1 3.86Å; A147-L151 WeakPolarHBondContact O-CG 3.22Å; A147-L151 PolarHBondContact O-N 3.21Å; L148-L151 WeakPolarHBondContact O-CB 3.46Å; L148-L151 PolarHBondContact O-N 2.83Å; E149-L151 VanDerWaalsContact C-N 3.31Å; E149-L151 PolarHBondContact O-N 3.14Å; L151-F153 PolarHBondContact O-N 2.96Å; L151-V154 WeakPolarHBondContact O-CB 3.08Å; L151-V154 PolarHBondContact O-N 3.48Å; L151-V154 VanDerWaalsContact O-N 3.1Å
152L77.6Confident75.4Confident50 Ų5055 Ų5526%0.26233%0.332SS..Hα-helixtrans-65.8-21.9177.3-65.2172.2000112.4I25 E149 S150 V154 N155 F171I25-L152 HydrophobicContact CD1-CD2 4.24Å; E149-L152 WeakPolarHBondContact O-CB 3.47Å; E149-L152 PolarHBondContact O-N 3.24Å; S150-L152 PolarHBondContact O-N 2.97Å; L152-V154 VanDerWaalsContact C-N 3.31Å; L152-V154 PolarHBondContact O-N 2.92Å; L152-N155 WeakPolarHBondContact O-CB 3.4Å; L152-N155 PolarHBondContact O-N 3.23Å; L152-F171 HydrophobicContact CB-CE2 3.66Å; L152-F171 HydrophobicContact CB-CZ 3.87Å; L152-F171 HydrophobicContact CD1-CD2 3.95Å; L152-F171 HydrophobicContact CD1-CE2 3.59Å; L152-F171 HydrophobicContact CG-CE2 4.23Å
153F77.8Confident73.5Confident88 Ų8865.3 Ų65.339%0.38638%0.377SS..Hα-helixtrans-66.1-33.9172.5-74.3-74.9000113.1S150 L151 N155 F156 F171 W175S150-F153 WeakPolarHBondContact O-CB 3.25Å; S150-F153 PolarHBondContact O-N 3.42Å; L151-F153 PolarHBondContact O-N 2.96Å; F153-N155 PolarHBondContact O-N 2.92Å; F153-F156 HydrophobicContact CB-CD2 4.44Å; F153-F156 AromaticContact CD1-CD2 3.77Å; F153-F156 HydrophobicContact CD1-CD2 3.77Å; F153-F156 AromaticContact CD1-CE2 3.8Å; F153-F156 HydrophobicContact CD1-CE2 3.8Å; F153-F156 HydrophobicContact CE1-CE2 4.18Å; F153-F156 HydrophobicContact CG-CD2 4.43Å; F153-F156 HydrophobicContact CG-CE2 4.47Å; F153-F156 PolarHBondContact O-N 3.24Å; F153-F156 VanDerWaalsContact O-N 3.09Å; F153-F171 HydrophobicContact CD1-CE1 4.25Å; F153-F171 HydrophobicContact CD2-CE1 4.43Å; F153-F171 HydrophobicContact CD2-CZ 4.07Å; F153-F171 AromaticContact CE1-CE1 3.73Å; F153-F171 HydrophobicContact CE1-CE1 3.73Å; F153-F171 HydrophobicContact CE1-CZ 4.32Å; F153-F171 AromaticContact CE2-CE1 3.92Å; F153-F171 HydrophobicContact CE2-CE1 3.92Å; F153-F171 AromaticContact CE2-CZ 3.76Å; F153-F171 HydrophobicContact CE2-CZ 3.76Å; F153-F171 HydrophobicContact CG-CZ 4.46Å; F153-F171 AromaticContact CZ-CE1 3.55Å; F153-F171 HydrophobicContact CZ-CE1 3.55Å; F153-F171 AromaticContact CZ-CZ 3.9Å; F153-F171 HydrophobicContact CZ-CZ 3.9Å; F153-W175 AromaticContact CE2-CD1 3.59Å; F153-W175 AromaticContact CE2-CD2 3.92Å; F153-W175 HydrophobicContact CE2-CD2 3.92Å; F153-W175 AromaticContact CE2-CE2 3.75Å; F153-W175 AromaticContact CE2-CG 3.82Å; F153-W175 HydrophobicContact CE2-CG 3.82Å; F153-W175 HydrophobicContact CE2-CZ2 4.43Å; F153-W175 AromaticContact CE2-NE1 3.54Å; F153-W175 HydrophobicContact CZ-CD2 4.17Å; F153-W175 HydrophobicContact CZ-CG 4.21Å
154V73.7Confident72.2Confident59 Ų5967.3 Ų67.336%0.35838%0.384SS..Hα-helixtrans-62.6-29.7176.8-176.30000110.6W15 F20 L151 L152 F156W15-V154 HydrophobicContact CH2-CG1 4.01Å; W15-V154 HydrophobicContact CZ3-CG1 4.23Å; F20-V154 HydrophobicContact CD2-CB 4.21Å; F20-V154 HydrophobicContact CD2-CG1 4.17Å; F20-V154 HydrophobicContact CE2-CB 4.46Å; F20-V154 HydrophobicContact CE2-CG1 4.27Å; F20-V154 HydrophobicContact CE2-CG2 4.38Å; L151-V154 WeakPolarHBondContact O-CB 3.08Å; L151-V154 PolarHBondContact O-N 3.48Å; L151-V154 VanDerWaalsContact O-N 3.1Å; L152-V154 VanDerWaalsContact C-N 3.31Å; L152-V154 PolarHBondContact O-N 2.92Å; V154-F156 VanDerWaalsContact C-N 3.31Å; V154-F156 PolarHBondContact O-N 3.48Å
155N68.6Low71.4Confident50 Ų5075.5 Ų75.527%0.26741%0.409SS..THydrogen-bonded Turntrans-77.7-11.8179-68.5-3.7000113.4G19 F20 L152 F153 N157G19-N155 VanDerWaalsContact CA-OD1 3.26Å; G19-N155 WeakPolarHBondContact CA-OD1 3.38Å; F20-N155 PolarHBondContact N-OD1 3.03Å; F20-N155 PolarHBondContact O-ND2 2.56Å; F20-N155 PolarHBondContact O-OD1 3.43Å; L152-N155 WeakPolarHBondContact O-CB 3.4Å; L152-N155 PolarHBondContact O-N 3.23Å; F153-N155 PolarHBondContact O-N 2.92Å; N155-N157 PolarHBondContact O-N 3.1Å
156F68.5Low70.5Confident70 Ų7078.2 Ų78.231%0.30743%0.425SS..  trans-76.453.6172.3-65.7-53.9000111.9F153 V154 G158 P162 L168 F171F153-F156 HydrophobicContact CB-CD2 4.44Å; F153-F156 AromaticContact CD1-CD2 3.77Å; F153-F156 HydrophobicContact CD1-CD2 3.77Å; F153-F156 AromaticContact CD1-CE2 3.8Å; F153-F156 HydrophobicContact CD1-CE2 3.8Å; F153-F156 HydrophobicContact CE1-CE2 4.18Å; F153-F156 HydrophobicContact CG-CD2 4.43Å; F153-F156 HydrophobicContact CG-CE2 4.47Å; F153-F156 PolarHBondContact O-N 3.24Å; F153-F156 VanDerWaalsContact O-N 3.09Å; V154-F156 VanDerWaalsContact C-N 3.31Å; V154-F156 PolarHBondContact O-N 3.48Å; F156-G158 PolarHBondContact O-N 3.31Å; F156-P162 HydrophobicContact CE1-CG 4.17Å; F156-L168 HydrophobicContact CE1-CD1 4.32Å; F156-L168 HydrophobicContact CZ-CD1 3.93Å; F156-F171 HydrophobicContact CE2-CD1 4.17Å; F156-F171 AromaticContact CE2-CE1 3.65Å; F156-F171 HydrophobicContact CE2-CE1 3.65Å; F156-F171 HydrophobicContact CE2-CZ 4.3Å; F156-F171 HydrophobicContact CZ-CD1 4.06Å; F156-F171 AromaticContact CZ-CE1 3.98Å; F156-F171 HydrophobicContact CZ-CE1 3.98Å
157N59.7Low69.7Low96 Ų9680.1 Ų80.151%0.51343%0.432SS..  trans-7961.4177.8-98.9-20.7000112.6K18 N155 K159K18-N157 PolarHBondContact O-ND2 3.26Å; N155-N157 PolarHBondContact O-N 3.1Å; N157-K159 PolarHBondContact O-N 2.89Å
158G55.1Low69.2Low80 Ų8080 Ų8083%0.82542%0.424SS*.SBendtrans68.2-15.4163.400000118.1F156F156-G158 PolarHBondContact O-N 3.31Å
159K49.8Very low69Low206 Ų20682.8 Ų82.890%0.89644%0.444SS*.SBendtrans-110.2-10.7-175.2-73.4-169.4176.6-175.70115.8N157N157-K159 PolarHBondContact O-N 2.89Å
160A47.9Very low68.8Low63 Ų6382.9 Ų82.952%0.52145%0.446SS..  trans-138.468.4-179.300000110.1P162A160-P162 WeakPolarHBondContact O-CD 3.42Å
161C49.7Very low68.6Low92 Ų9282.1 Ų82.162%0.62244%0.438SS*.SBendtrans-57.3123.9144.8-161.20000104.6K163C161-K163 PolarHBondContact O-N 2.99Å
162P52.9Low69Low43 Ų4382.8 Ų82.828%0.27944%0.443SS..  trans-50121.9-179.5-23.131.2000106.9F156 A160 D164 F167 L168F156-P162 HydrophobicContact CE1-CG 4.17Å; A160-P162 WeakPolarHBondContact O-CD 3.42Å; P162-D164 CarbonylContact O-C 3.57Å; P162-D164 PolarHBondContact O-N 3.16Å; P162-F167 HydrophobicContact CB-CB 4.48Å; P162-L168 HydrophobicContact CG-CB 4.4Å
163K55.8Low69.6Low217 Ų21784.3 Ų84.394%0.94345%0.451SS*.SBendtrans-52.3-26.5178.8-79.9-176.3175.7178.40110.7C161 R165C161-K163 PolarHBondContact O-N 2.99Å; K163-R165 PolarHBondContact O-N 3.01Å
164D66.7Low70.3Confident59 Ų5981.3 Ų81.332%0.31644%0.438SS..  trans-83.8101.6169.2-98.3-45.4000113.1Y92 P162 V166 F167Y92-D164 WeakPolarHBondContact CE1-OD2 3.25Å; Y92-D164 PolarHBondContact OH-OD1 2.63Å; Y92-D164 PolarHBondContact OH-OD2 2.86Å; Y92-D164 VanDerWaalsContact OH-OD2 3.09Å; P162-D164 CarbonylContact O-C 3.57Å; P162-D164 PolarHBondContact O-N 3.16Å; D164-V166 PolarHBondContact O-N 3.04Å; D164-V166 VanDerWaalsContact O-N 3.1Å; D164-F167 HydrophobicContact CB-CD2 3.35Å; D164-F167 HydrophobicContact CB-CE2 3.79Å; D164-F167 HydrophobicContact CB-CG 4.38Å; D164-F167 PolarHBondContact O-N 2.61Å; D164-F167 WeakPolarHBondContact OD2-CE2 3.41Å
165R75Confident71.2Confident210 Ų21081.4 Ų81.479%0.79243%0.432SS*.Hα-helixtrans-52.4-30.2170.7-65.7-179.5178.8-179.9-0.8112.7K163 L168 C169K163-R165 PolarHBondContact O-N 3.01Å; R165-L168 PolarHBondContact O-N 2.99Å; R165-C169 PolarHBondContact O-N 3.18Å; R165-C169 PolarHBondContact O-SG 3.09Å
166V74.5Confident72.4Confident68 Ų6882.8 Ų82.841%0.41244%0.439SS..Hα-helixtrans-62.7-46.9-179.9179.80000111.6D164 L168 C169 V170D164-V166 PolarHBondContact O-N 3.04Å; D164-V166 VanDerWaalsContact O-N 3.1Å; V166-L168 VanDerWaalsContact C-N 3.33Å; V166-L168 PolarHBondContact O-N 2.92Å; V166-C169 PolarHBondContact O-N 2.77Å; V166-V170 WeakPolarHBondContact O-CG2 2.9Å; V166-V170 PolarHBondContact O-N 3.02Å
167F75.3Confident73.8Confident57 Ų5780.2 Ų80.225%0.2543%0.428CS..Hα-helixtrans-64.8-40178.7-69.4-59.5000112L84 L88 Y92 P162 D164 V170 F171L84-F167 HydrophobicContact CD1-CD1 4.06Å; L84-F167 HydrophobicContact CD1-CE1 4.01Å; L88-F167 HydrophobicContact CD1-CE1 4.43Å; L88-F167 HydrophobicContact CD2-CD1 4.48Å; L88-F167 HydrophobicContact CD2-CE1 3.23Å; L88-F167 HydrophobicContact CD2-CE2 4.49Å; L88-F167 HydrophobicContact CD2-CZ 3.25Å; L88-F167 HydrophobicContact CG-CE1 3.87Å; L88-F167 HydrophobicContact CG-CZ 4.3Å; Y92-F167 AromaticContact CD2-CZ 3.99Å; Y92-F167 HydrophobicContact CD2-CZ 3.99Å; Y92-F167 HydrophobicContact CE1-CE2 4.22Å; Y92-F167 HydrophobicContact CE1-CZ 4.46Å; Y92-F167 HydrophobicContact CE2-CE2 4.07Å; Y92-F167 AromaticContact CE2-CZ 3.61Å; Y92-F167 HydrophobicContact CE2-CZ 3.61Å; Y92-F167 AromaticContact CZ-CE2 3.81Å; Y92-F167 AromaticContact CZ-CZ 3.86Å; P162-F167 HydrophobicContact CB-CB 4.48Å; D164-F167 HydrophobicContact CB-CD2 3.35Å; D164-F167 HydrophobicContact CB-CE2 3.79Å; D164-F167 HydrophobicContact CB-CG 4.38Å; D164-F167 PolarHBondContact O-N 2.61Å; D164-F167 WeakPolarHBondContact OD2-CE2 3.41Å; F167-V170 PolarHBondContact O-N 2.75Å; F167-F171 VanDerWaalsContact O-CB 3.25Å; F167-F171 WeakPolarHBondContact O-CB 3.38Å; F167-F171 PolarHBondContact O-N 3.3Å
168L79.8Confident75.5Confident52 Ų5275.9 Ų75.927%0.27241%0.405SS..Hα-helixtrans-61.6-45.9176.2-176.465.9000111.1F156 P162 R165 V166 V170 F171 V172F156-L168 HydrophobicContact CE1-CD1 4.32Å; F156-L168 HydrophobicContact CZ-CD1 3.93Å; P162-L168 HydrophobicContact CG-CB 4.4Å; R165-L168 PolarHBondContact O-N 2.99Å; V166-L168 VanDerWaalsContact C-N 3.33Å; V166-L168 PolarHBondContact O-N 2.92Å; L168-V170 PolarHBondContact O-N 2.89Å; L168-F171 PolarHBondContact O-N 2.84Å; L168-V172 HydrophobicContact CD1-CG2 4.43Å; L168-V172 VanDerWaalsContact O-CG2 3.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 3.01Å
169C83.6Confident77.4Confident76 Ų7674.5 Ų74.551%0.51438%0.378SS..Hα-helixtrans-60.1-46176.9-71.60000112R165 V166 V172 I173R165-C169 PolarHBondContact O-N 3.18Å; R165-C169 PolarHBondContact O-SG 3.09Å; V166-C169 PolarHBondContact O-N 2.77Å; C169-V172 PolarHBondContact O-N 2.97Å; C169-I173 VanDerWaalsContact O-CG1 3.24Å; C169-I173 WeakPolarHBondContact O-CG1 3.39Å; C169-I173 PolarHBondContact O-N 2.95Å
170V83.7Confident79.7Confident20 Ų2069.5 Ų69.512%0.12136%0.359CS..Hα-helixtrans-65.6-41.1179.2176.70000111.5L80 L84 V166 F167 L168 I173 K174L80-V170 HydrophobicContact CD1-CG1 4.14Å; L80-V170 HydrophobicContact CG-CG1 4.29Å; L84-V170 HydrophobicContact CB-CG1 4.16Å; L84-V170 HydrophobicContact CD1-CB 4.24Å; L84-V170 HydrophobicContact CD1-CG1 3.91Å; L84-V170 HydrophobicContact CD1-CG2 4.26Å; L84-V170 HydrophobicContact CD2-CG1 3.77Å; L84-V170 HydrophobicContact CG-CG1 4.14Å; V166-V170 WeakPolarHBondContact O-CG2 2.9Å; V166-V170 PolarHBondContact O-N 3.02Å; F167-V170 PolarHBondContact O-N 2.75Å; L168-V170 PolarHBondContact O-N 2.89Å; V170-I173 PolarHBondContact O-N 3.41Å; V170-K174 WeakPolarHBondContact O-CB 3.46Å; V170-K174 PolarHBondContact O-N 2.86Å
171F84Confident81.9Confident24 Ų2466.5 Ų66.511%0.10534%0.335CS..Hα-helixtrans-58.7-49.5175.1169.7-102.3000111.5E149 L152 F153 F156 F167 L168 I173 K174 W175E149-F171 WeakPolarHBondContact O-CE2 3.39Å; E149-F171 WeakPolarHBondContact O-CZ 3.46Å; L152-F171 HydrophobicContact CB-CE2 3.66Å; L152-F171 HydrophobicContact CB-CZ 3.87Å; L152-F171 HydrophobicContact CD1-CD2 3.95Å; L152-F171 HydrophobicContact CD1-CE2 3.59Å; L152-F171 HydrophobicContact CG-CE2 4.23Å; F153-F171 HydrophobicContact CD1-CE1 4.25Å; F153-F171 HydrophobicContact CD2-CE1 4.43Å; F153-F171 HydrophobicContact CD2-CZ 4.07Å; F153-F171 AromaticContact CE1-CE1 3.73Å; F153-F171 HydrophobicContact CE1-CE1 3.73Å; F153-F171 HydrophobicContact CE1-CZ 4.32Å; F153-F171 AromaticContact CE2-CE1 3.92Å; F153-F171 HydrophobicContact CE2-CE1 3.92Å; F153-F171 AromaticContact CE2-CZ 3.76Å; F153-F171 HydrophobicContact CE2-CZ 3.76Å; F153-F171 HydrophobicContact CG-CZ 4.46Å; F153-F171 AromaticContact CZ-CE1 3.55Å; F153-F171 HydrophobicContact CZ-CE1 3.55Å; F153-F171 AromaticContact CZ-CZ 3.9Å; F153-F171 HydrophobicContact CZ-CZ 3.9Å; F156-F171 HydrophobicContact CE2-CD1 4.17Å; F156-F171 AromaticContact CE2-CE1 3.65Å; F156-F171 HydrophobicContact CE2-CE1 3.65Å; F156-F171 HydrophobicContact CE2-CZ 4.3Å; F156-F171 HydrophobicContact CZ-CD1 4.06Å; F156-F171 AromaticContact CZ-CE1 3.98Å; F156-F171 HydrophobicContact CZ-CE1 3.98Å; F167-F171 VanDerWaalsContact O-CB 3.25Å; F167-F171 WeakPolarHBondContact O-CB 3.38Å; F167-F171 PolarHBondContact O-N 3.3Å; L168-F171 PolarHBondContact O-N 2.84Å; F171-I173 VanDerWaalsContact C-N 3.34Å; F171-I173 PolarHBondContact O-N 3.32Å; F171-K174 PolarHBondContact O-N 3.37Å; F171-W175 WeakPolarHBondContact O-CB 3.4Å; F171-W175 PolarHBondContact O-N 3.49Å
172V88.4Confident84.1Confident58 Ų5865.1 Ų65.135%0.35232%0.318SS..Hα-helixtrans-60.5-43.3178171.70000111.2L168 C169 W175 L176L168-V172 HydrophobicContact CD1-CG2 4.43Å; L168-V172 VanDerWaalsContact O-CG2 3.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 3.01Å; C169-V172 PolarHBondContact O-N 2.97Å; V172-W175 PolarHBondContact O-N 3.4Å; V172-L176 HydrophobicContact CG1-CD1 4.05Å; V172-L176 HydrophobicContact CG1-CG 4.48Å; V172-L176 WeakPolarHBondContact O-CB 3.35Å; V172-L176 VanDerWaalsContact O-CG 3.32Å; V172-L176 WeakPolarHBondContact O-CG 3.46Å; V172-L176 PolarHBondContact O-N 3.01Å
173I91.3Very high86.1Confident83 Ų8367.1 Ų67.143%0.42633%0.326SS..Hα-helixtrans-62.4-46.8177-67.4165.6000110.5L80 C169 V170 F171 W175 L176 L177L80-I173 HydrophobicContact CD2-CB 4.38Å; L80-I173 HydrophobicContact CD2-CG2 3.78Å; C169-I173 VanDerWaalsContact O-CG1 3.24Å; C169-I173 WeakPolarHBondContact O-CG1 3.39Å; C169-I173 PolarHBondContact O-N 2.95Å; V170-I173 PolarHBondContact O-N 3.41Å; F171-I173 VanDerWaalsContact C-N 3.34Å; F171-I173 PolarHBondContact O-N 3.32Å; I173-W175 VanDerWaalsContact C-N 3.33Å; I173-W175 PolarHBondContact O-N 3.28Å; I173-L176 PolarHBondContact O-N 2.58Å; I173-L177 HydrophobicContact CG2-CD1 4.17Å; I173-L177 HydrophobicContact CG2-CG 4.43Å; I173-L177 WeakPolarHBondContact O-CG 3.33Å; I173-L177 PolarHBondContact O-N 3.14Å
174K91.8Very high87.9Confident24 Ų2457.3 Ų57.310%0.10428%0.284CS..Hα-helixtrans-59.5-44.9178.5-172.9-175.9-178.5-1730111.3L77 L80 V81 E149 V170 F171 L177 L178L77-K174 HydrophobicContact CD1-CG 3.8Å; L80-K174 HydrophobicContact CD2-CB 3.96Å; V81-K174 HydrophobicContact CG2-CD 4.42Å; E149-K174 HydrophobicContact CG-CD 4.31Å; E149-K174 WeakPolarHBondContact OE1-CE 3.37Å; E149-K174 IonicContact OE1-NZ 2.72Å; E149-K174 PolarHBondContact OE1-NZ 2.88Å; E149-K174 IonicContact OE2-NZ 3.58Å; V170-K174 WeakPolarHBondContact O-CB 3.46Å; V170-K174 PolarHBondContact O-N 2.86Å; F171-K174 PolarHBondContact O-N 3.37Å; K174-L177 PolarHBondContact O-N 3.28Å; K174-L178 HydrophobicContact CG-CD1 4.26Å; K174-L178 WeakPolarHBondContact O-CG 3.46Å; K174-L178 PolarHBondContact O-N 3.02Å
175W93.2Very high89.1Confident62 Ų6254.6 Ų54.624%0.23527%0.269CS..Hα-helixtrans-63.1-44.5178-17783.1000112S150 F153 F171 V172 I173 L177 L178 L179S150-W175 PolarHBondContact OG-NE1 3.35Å; F153-W175 AromaticContact CE2-CD1 3.59Å; F153-W175 AromaticContact CE2-CD2 3.92Å; F153-W175 HydrophobicContact CE2-CD2 3.92Å; F153-W175 AromaticContact CE2-CE2 3.75Å; F153-W175 AromaticContact CE2-CG 3.82Å; F153-W175 HydrophobicContact CE2-CG 3.82Å; F153-W175 HydrophobicContact CE2-CZ2 4.43Å; F153-W175 AromaticContact CE2-NE1 3.54Å; F153-W175 HydrophobicContact CZ-CD2 4.17Å; F153-W175 HydrophobicContact CZ-CG 4.21Å; F171-W175 WeakPolarHBondContact O-CB 3.4Å; F171-W175 PolarHBondContact O-N 3.49Å; V172-W175 PolarHBondContact O-N 3.4Å; I173-W175 VanDerWaalsContact C-N 3.33Å; I173-W175 PolarHBondContact O-N 3.28Å; W175-L177 PolarHBondContact O-N 3.47Å; W175-L178 PolarHBondContact O-N 3.43Å; W175-L179 HydrophobicContact CH2-CD2 3.68Å; W175-L179 HydrophobicContact CZ2-CD2 4.32Å; W175-L179 HydrophobicContact CZ3-CD2 3.83Å; W175-L179 WeakPolarHBondContact O-CB 3.23Å; W175-L179 PolarHBondContact O-N 3.41Å
176L94.9Very high89.8Confident78 Ų7850.9 Ų50.941%0.40826%0.262SS..Hα-helixtrans-61.9-41.3175.9-73.9172.4000112.3V172 I173 L179 M180V172-L176 HydrophobicContact CG1-CD1 4.05Å; V172-L176 HydrophobicContact CG1-CG 4.48Å; V172-L176 WeakPolarHBondContact O-CB 3.35Å; V172-L176 VanDerWaalsContact O-CG 3.32Å; V172-L176 WeakPolarHBondContact O-CG 3.46Å; V172-L176 PolarHBondContact O-N 3.01Å; I173-L176 PolarHBondContact O-N 2.58Å; L176-L179 PolarHBondContact O-N 3.42Å; L176-M180 WeakPolarHBondContact O-CG 3.11Å; L176-M180 PolarHBondContact O-N 2.94Å
177L95.9Very high90.5Very high17 Ų1753.1 Ų53.19%0.08927%0.27CS..Hα-helixtrans-61.3-45.7175.7-72.2175.2000111.4L73 L77 L80 I173 K174 W175 M180 L181L73-L177 HydrophobicContact CD2-CD2 3.52Å; L77-L177 HydrophobicContact CB-CD1 4.36Å; L77-L177 HydrophobicContact CD1-CB 4.33Å; L77-L177 HydrophobicContact CD1-CD1 4.32Å; L80-L177 HydrophobicContact CD2-CD1 3.84Å; I173-L177 HydrophobicContact CG2-CD1 4.17Å; I173-L177 HydrophobicContact CG2-CG 4.43Å; I173-L177 WeakPolarHBondContact O-CG 3.33Å; I173-L177 PolarHBondContact O-N 3.14Å; K174-L177 PolarHBondContact O-N 3.28Å; W175-L177 PolarHBondContact O-N 3.47Å; L177-M180 PolarHBondContact O-N 3.22Å; L177-L181 WeakPolarHBondContact O-CB 3.32Å; L177-L181 VanDerWaalsContact O-CG 3.29Å; L177-L181 WeakPolarHBondContact O-CG 3.24Å; L177-L181 PolarHBondContact O-N 3.15Å
178L96Very high91.2Very high5 Ų551 Ų513%0.02626%0.263CS..Hα-helixtrans-65.3-39.5177.6-75.7166.3000112.5L77 W111 L146 E149 K174 W175 L181 F182L77-L178 HydrophobicContact CD1-CG 4.39Å; L77-L178 HydrophobicContact CD2-CD2 3.61Å; L77-L178 HydrophobicContact CD2-CG 4.12Å; W111-L178 HydrophobicContact CH2-CD2 3.52Å; W111-L178 HydrophobicContact CZ2-CD2 3.63Å; L146-L178 HydrophobicContact CB-CB 4.31Å; L146-L178 HydrophobicContact CD1-CB 4Å; E149-L178 HydrophobicContact CB-CD1 3.97Å; E149-L178 HydrophobicContact CG-CD1 3.29Å; K174-L178 HydrophobicContact CG-CD1 4.26Å; K174-L178 WeakPolarHBondContact O-CG 3.46Å; K174-L178 PolarHBondContact O-N 3.02Å; W175-L178 PolarHBondContact O-N 3.43Å; L178-L181 PolarHBondContact O-N 3.34Å; L178-F182 WeakPolarHBondContact O-CB 3.49Å; L178-F182 PolarHBondContact O-N 2.86Å
179L96.3Very high91.5Very high50 Ų5049.8 Ų49.826%0.26226%0.258SS..Hα-helixtrans-62-47.2175.817965000110.8L146 W175 L176 L181 F182 I183L146-L179 HydrophobicContact CD1-CB 4.14Å; L146-L179 HydrophobicContact CD2-CD1 3.94Å; W175-L179 HydrophobicContact CH2-CD2 3.68Å; W175-L179 HydrophobicContact CZ2-CD2 4.32Å; W175-L179 HydrophobicContact CZ3-CD2 3.83Å; W175-L179 WeakPolarHBondContact O-CB 3.23Å; W175-L179 PolarHBondContact O-N 3.41Å; L176-L179 PolarHBondContact O-N 3.42Å; L179-L181 PolarHBondContact O-N 3.12Å; L179-F182 PolarHBondContact O-N 3.49Å; L179-I183 HydrophobicContact CD1-CD1 4.1Å; L179-I183 HydrophobicContact CD1-CG1 4.44Å; L179-I183 HydrophobicContact CG-CD1 3.98Å; L179-I183 VanDerWaalsContact O-CG1 3.31Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 3.3Å
180M96.5Very high91.5Very high101 Ų10146.3 Ų46.350%0.49824%0.235SC..Hα-helixtrans-63-41.3177-72.8-171.5171.100112L73 L176 L177 F182 I183 L184L73-M180 HydrophobicContact CD1-CB 3.85Å; L176-M180 WeakPolarHBondContact O-CG 3.11Å; L176-M180 PolarHBondContact O-N 2.94Å; L177-M180 PolarHBondContact O-N 3.22Å; M180-F182 VanDerWaalsContact C-N 3.35Å; M180-I183 PolarHBondContact O-N 3.12Å; M180-L184 WeakPolarHBondContact O-CB 3.33Å; M180-L184 VanDerWaalsContact O-CG 3.3Å; M180-L184 WeakPolarHBondContact O-CG 3.44Å; M180-L184 PolarHBondContact O-N 2.9Å
181L95.8Very high91.6Very high0 Ų047 Ų470%024%0.239CC..Hα-helixtrans-62.5-41.4175.6-77.2169.2000112.1Q70 L73 T74 L77 W111 L177 L178 L179 G185Q70-L181 HydrophobicContact CG-CD2 4.12Å; L73-L181 HydrophobicContact CB-CD2 3.71Å; L73-L181 HydrophobicContact CB-CG 4Å; T74-L181 WeakPolarHBondContact OG1-CD2 3.26Å; L77-L181 HydrophobicContact CB-CD1 4.45Å; L77-L181 HydrophobicContact CD2-CD1 3.77Å; W111-L181 HydrophobicContact CH2-CD1 4.2Å; W111-L181 HydrophobicContact CZ3-CD1 3.94Å; L177-L181 WeakPolarHBondContact O-CB 3.32Å; L177-L181 VanDerWaalsContact O-CG 3.29Å; L177-L181 WeakPolarHBondContact O-CG 3.24Å; L177-L181 PolarHBondContact O-N 3.15Å; L178-L181 PolarHBondContact O-N 3.34Å; L179-L181 PolarHBondContact O-N 3.12Å; L181-G185 PolarHBondContact O-N 2.67Å
182F95.4Very high91.2Very high64 Ų6446.8 Ų46.828%0.28124%0.24SC..Hα-helixtrans-65.1-45.3176.6179-112.2000111.9W142 G143 L146 L178 L179 M180 G185 M186W142-F182 HydrophobicContact CB-CD2 4.49Å; G143-F182 VanDerWaalsContact CA-CD2 3.48Å; L146-F182 HydrophobicContact CD2-CB 3.83Å; L146-F182 HydrophobicContact CD2-CD1 3.76Å; L146-F182 HydrophobicContact CD2-CG 3.9Å; L178-F182 WeakPolarHBondContact O-CB 3.49Å; L178-F182 PolarHBondContact O-N 2.86Å; L179-F182 PolarHBondContact O-N 3.49Å; M180-F182 VanDerWaalsContact C-N 3.35Å; F182-G185 PolarHBondContact O-N 2.92Å; F182-M186 HydrophobicContact CE1-CG 4.4Å; F182-M186 HydrophobicContact CE2-CG 4.33Å; F182-M186 HydrophobicContact CE2-SD 4.5Å; F182-M186 HydrophobicContact CZ-CG 4.15Å; F182-M186 HydrophobicContact CZ-SD 4.35Å; F182-M186 WeakPolarHBondContact O-CG 3.08Å; F182-M186 PolarHBondContact O-N 3.17Å
183I95.1Very high90.4Very high84 Ų8447.1 Ų47.143%0.43124%0.244SC..Hα-helixtrans-61.7-47.2176.7-67.8168000110.8L179 M180 G185 M186 M187L179-I183 HydrophobicContact CD1-CD1 4.1Å; L179-I183 HydrophobicContact CD1-CG1 4.44Å; L179-I183 HydrophobicContact CG-CD1 3.98Å; L179-I183 VanDerWaalsContact O-CG1 3.31Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 3.3Å; M180-I183 PolarHBondContact O-N 3.12Å; I183-G185 VanDerWaalsContact C-N 3.27Å; I183-G185 PolarHBondContact O-N 3.41Å; I183-M186 PolarHBondContact O-N 3.29Å; I183-M187 HydrophobicContact CG2-SD 4.45Å; I183-M187 WeakPolarHBondContact O-CG 3.46Å; I183-M187 PolarHBondContact O-N 3.29Å; I183-M187 VanDerWaalsContact O-N 3.14Å
184L93.7Very high89.2Confident12 Ų1245.7 Ų45.76%0.06324%0.242CC..Hα-helixtrans-63.7-35.2176.4-71.6172000111.8F66 L69 Q70 L73 M180 M187 A188 P189F66-L184 HydrophobicContact CB-CD2 4.12Å; F66-L184 HydrophobicContact CD1-CD2 4.07Å; F66-L184 HydrophobicContact CG-CD2 4.42Å; L69-L184 HydrophobicContact CD2-CD1 4.24Å; L69-L184 HydrophobicContact CG-CD1 4.21Å; Q70-L184 HydrophobicContact CB-CB 4.4Å; Q70-L184 HydrophobicContact CB-CD1 4.05Å; Q70-L184 HydrophobicContact CG-CB 4.13Å; Q70-L184 HydrophobicContact CG-CD1 4.44Å; L73-L184 HydrophobicContact CD1-CD1 3.62Å; M180-L184 WeakPolarHBondContact O-CB 3.33Å; M180-L184 VanDerWaalsContact O-CG 3.3Å; M180-L184 WeakPolarHBondContact O-CG 3.44Å; M180-L184 PolarHBondContact O-N 2.9Å; L184-M187 PolarHBondContact O-N 2.93Å; L184-A188 PolarHBondContact O-N 3.41Å; L184-P189 WeakPolarHBondContact O-CD 3.35Å
185G91.2Very high87.8Confident1 Ų149.8 Ų49.81%0.0126%0.264CS..Hα-helixtrans-59.2-46.9172.800000112.4H134 L181 F182 I183 M187 A188H134-G185 PolarHBondContact CD2-O 2.95Å; H134-G185 VanDerWaalsContact CD2-O 3.24Å; L181-G185 PolarHBondContact O-N 2.67Å; F182-G185 PolarHBondContact O-N 2.92Å; I183-G185 VanDerWaalsContact C-N 3.27Å; I183-G185 PolarHBondContact O-N 3.41Å; G185-M187 VanDerWaalsContact C-N 3.26Å; G185-M187 PolarHBondContact O-N 2.87Å; G185-A188 PolarHBondContact O-N 2.76Å; G185-A188 VanDerWaalsContact O-N 3.17Å
186M90.5Very high86.3Confident132 Ų13248.5 Ų48.565%0.6527%0.267SS*.Hα-helixtrans-63-30.9176.1-69.9-69.9-65.600113F182 I183F182-M186 HydrophobicContact CE1-CG 4.4Å; F182-M186 HydrophobicContact CE2-CG 4.33Å; F182-M186 HydrophobicContact CE2-SD 4.5Å; F182-M186 HydrophobicContact CZ-CG 4.15Å; F182-M186 HydrophobicContact CZ-SD 4.35Å; F182-M186 WeakPolarHBondContact O-CG 3.08Å; F182-M186 PolarHBondContact O-N 3.17Å; I183-M186 PolarHBondContact O-N 3.29Å
187M89.2Confident84.9Confident116 Ų11646.5 Ų46.557%0.57125%0.254SS*.Hα-helixtrans-78.2-24.5176.8-67.6179.470.900113.7I183 L184 G185I183-M187 HydrophobicContact CG2-SD 4.45Å; I183-M187 WeakPolarHBondContact O-CG 3.46Å; I183-M187 PolarHBondContact O-N 3.29Å; I183-M187 VanDerWaalsContact O-N 3.14Å; L184-M187 PolarHBondContact O-N 2.93Å; G185-M187 VanDerWaalsContact C-N 3.26Å; G185-M187 PolarHBondContact O-N 2.87Å
188A89.7Confident83.3Confident13 Ų1347.4 Ų47.411%0.10727%0.268CS..  trans47.650.4-176.700000115.7G133 H134 L184 G185 G190 V191G133-A188 VanDerWaalsContact CA-CB 3.45Å; H134-A188 WeakPolarHBondContact NE2-CA 3.32Å; L184-A188 PolarHBondContact O-N 3.41Å; G185-A188 PolarHBondContact O-N 2.76Å; G185-A188 VanDerWaalsContact O-N 3.17Å; A188-G190 PolarHBondContact O-N 2.85Å; A188-V191 HydrophobicContact CB-CB 4.35Å; A188-V191 HydrophobicContact CB-CG2 4.05Å; A188-V191 PolarHBondContact O-N 3.1Å; A188-V191 VanDerWaalsContact O-N 3.16Å
189P85.9Confident81.6Confident26 Ų2651.3 Ų51.317%0.16929%0.286CS..THydrogen-bonded Turntrans-64.3-16.8-16928.5-37.2000114.6P64 F66 L184P64-P189 WeakPolarHBondContact CG-O 3.23Å; F66-P189 HydrophobicContact CB-CB 3.64Å; F66-P189 HydrophobicContact CB-CG 3.93Å; L184-P189 WeakPolarHBondContact O-CD 3.35Å
190G83.1Confident80Confident2 Ų251.2 Ų51.22%0.02128%0.284CS..THydrogen-bonded Turntrans-91.9-18.2-179.300000115.1Y67 R122 A188Y67-G190 VanDerWaalsContact CD2-CA 3.48Å; R122-G190 WeakPolarHBondContact CG-O 3.38Å; R122-G190 PolarHBondContact NH1-O 3.01Å; A188-G190 PolarHBondContact O-N 2.85Å
191V85.4Confident78.3Confident34 Ų3451.2 Ų51.221%0.20628%0.282CS..SBendtrans-82.5134.6-171-178.40000109.9H134 A188 S193H134-V191 WeakPolarHBondContact ND1-CG2 3.46Å; A188-V191 HydrophobicContact CB-CB 4.35Å; A188-V191 HydrophobicContact CB-CG2 4.05Å; A188-V191 PolarHBondContact O-N 3.1Å; A188-V191 VanDerWaalsContact O-N 3.16Å; V191-S193 PolarHBondContact O-N 3.03Å
192V76.8Confident76.3Confident20 Ų2058.7 Ų58.712%0.12131%0.312CS..PPolyproline II helixtrans-69.4125.9175.7179.70000108.9F55 L59 L60 A196F55-V192 HydrophobicContact CD2-CG2 4.44Å; F55-V192 HydrophobicContact CE2-CG2 4.32Å; L59-V192 HydrophobicContact CD1-CG1 4.16Å; L59-V192 HydrophobicContact CD2-CG1 3.76Å; L59-V192 HydrophobicContact CG-CG1 3.72Å; L59-V192 HydrophobicContact CG-CG2 4.47Å; L60-V192 HydrophobicContact CD2-CG2 4.37Å; V192-A196 HydrophobicContact CG1-CB 4.15Å
193S71.1Confident74.3Confident65 Ų6561.9 Ų61.946%0.45533%0.325SS..PPolyproline II helixtrans-64.5146.1-179.271.60000111.9V191 L195 A196 R197V191-S193 PolarHBondContact O-N 3.03Å; S193-L195 PolarHBondContact O-N 3.49Å; S193-A196 PolarHBondContact O-N 3.21Å; S193-A196 WeakPolarHBondContact OG-CB 3.45Å; S193-A196 PolarHBondContact OG-N 3.06Å; S193-R197 PolarHBondContact O-N 2.61Å
194S66.9Low72.6Confident54 Ų5467.4 Ų67.438%0.37834%0.341SS..Hα-helixtrans-54.4-37.1175.256.20000112.3R197 G198S194-R197 PolarHBondContact O-N 3.07Å; S194-G198 PolarHBondContact O-N 3.4Å
195L61Low70.6Confident109 Ų10974.1 Ų74.157%0.57138%0.376SS*.Hα-helixtrans-62.9-46.4175.8-175.468.1000112.3S193 R197 G198 Q199S193-L195 PolarHBondContact O-N 3.49Å; L195-R197 VanDerWaalsContact C-N 3.32Å; L195-R197 PolarHBondContact O-N 3.13Å; L195-G198 PolarHBondContact O-N 3.2Å; L195-Q199 WeakPolarHBondContact O-CG 3.38Å; L195-Q199 PolarHBondContact O-N 3.07Å
196A62.5Low69Low35 Ų3577 Ų7729%0.28940%0.396SS..Hα-helixtrans-65.4-37.9178.500000111.4L59 V192 S193 F200L59-A196 HydrophobicContact CD1-CB 4.45Å; V192-A196 HydrophobicContact CG1-CB 4.15Å; S193-A196 PolarHBondContact O-N 3.21Å; S193-A196 WeakPolarHBondContact OG-CB 3.45Å; S193-A196 PolarHBondContact OG-N 3.06Å; A196-F200 WeakPolarHBondContact O-CB 3.44Å; A196-F200 PolarHBondContact O-N 3.07Å; A196-F200 VanDerWaalsContact O-N 3.13Å
197R65.5Low67Low36 Ų3672.8 Ų72.814%0.13639%0.386CS..Hα-helixtrans-62.5-51.3174.1-174.9-173-92.9158.933.5111.2D125 S193 S194 L195 Q199 F200 E201D125-R197 VanDerWaalsContact CG-NH1 3.26Å; D125-R197 IonicContact OD1-CZ 2.61Å; D125-R197 IonicContact OD1-NE 2.81Å; D125-R197 IonicContact OD1-NH1 2.95Å; D125-R197 PolarHBondContact OD1-NH1 3.03Å; D125-R197 IonicContact OD1-NH2 2.63Å; D125-R197 PolarHBondContact OD1-NH2 3.09Å; D125-R197 IonicContact OD2-CZ 3.06Å; D125-R197 IonicContact OD2-NE 3.03Å; D125-R197 PolarHBondContact OD2-NE 2.91Å; D125-R197 VanDerWaalsContact OD2-NE 3.09Å; D125-R197 IonicContact OD2-NH1 2.8Å; D125-R197 PolarHBondContact OD2-NH1 2.81Å; D125-R197 IonicContact OD2-NH2 3.57Å; D125-R197 PolarHBondContact OD2-NH2 2.78Å; S193-R197 PolarHBondContact O-N 2.61Å; S194-R197 PolarHBondContact O-N 3.07Å; L195-R197 VanDerWaalsContact C-N 3.32Å; L195-R197 PolarHBondContact O-N 3.13Å; R197-Q199 VanDerWaalsContact C-N 3.33Å; R197-Q199 PolarHBondContact O-N 3.39Å; R197-F200 PolarHBondContact O-N 2.86Å; R197-E201 PolarHBondContact O-N 3.37Å
198G61.4Low65Low37 Ų3771.1 Ų71.138%0.38138%0.383SS..Hα-helixtrans-58-43.7-18000000112.5S194 L195 F200 E201 Y202S194-G198 PolarHBondContact O-N 3.4Å; L195-G198 PolarHBondContact O-N 3.2Å; G198-F200 VanDerWaalsContact C-N 3.32Å; G198-F200 PolarHBondContact O-N 2.84Å; G198-E201 PolarHBondContact O-N 2.99Å; G198-Y202 VanDerWaalsContact O-CB 3.28Å; G198-Y202 WeakPolarHBondContact O-CB 3.43Å; G198-Y202 PolarHBondContact O-N 3.34Å
199Q59.9Low62.8Low86 Ų8676.7 Ų76.740%0.40241%0.411SS..Hα-helixtrans-63.5-35.6175.7-73.4179-2.200113.3L195 R197 K203L195-Q199 WeakPolarHBondContact O-CG 3.38Å; L195-Q199 PolarHBondContact O-N 3.07Å; R197-Q199 VanDerWaalsContact C-N 3.33Å; R197-Q199 PolarHBondContact O-N 3.39Å; Q199-K203 WeakPolarHBondContact O-CG 3.43Å; Q199-K203 PolarHBondContact O-N 3.45Å; Q199-K203 VanDerWaalsContact O-N 3.11Å
200F63.2Low61.2Low49 Ų4983.3 Ų83.322%0.21544%0.444CS..Hα-helixtrans-73.8-43.5179-173.3-92.9000112D56 R58 L59 A196 R197 G198 K203 R204D56-F200 HydrophobicContact CB-CE1 3.76Å; D56-F200 HydrophobicContact CB-CE2 4.41Å; D56-F200 HydrophobicContact CB-CZ 3.53Å; R58-F200 HydrophobicContact CB-CE2 3.9Å; L59-F200 HydrophobicContact CD1-CB 3.64Å; L59-F200 HydrophobicContact CD1-CD2 4.21Å; L59-F200 HydrophobicContact CD1-CG 3.92Å; A196-F200 WeakPolarHBondContact O-CB 3.44Å; A196-F200 PolarHBondContact O-N 3.07Å; A196-F200 VanDerWaalsContact O-N 3.13Å; R197-F200 PolarHBondContact O-N 2.86Å; G198-F200 VanDerWaalsContact C-N 3.32Å; G198-F200 PolarHBondContact O-N 2.84Å; F200-K203 PolarHBondContact O-N 2.67Å; F200-R204 PolarHBondContact O-N 2.71Å
201E62.2Low59.5Low100 Ų10091.9 Ų91.947%0.46748%0.483SS..Hα-helixtrans-63.2-43174.2-77.2179.8179.500111.7R197 G198 K203 R204 L205R197-E201 PolarHBondContact O-N 3.37Å; G198-E201 PolarHBondContact O-N 2.99Å; E201-K203 PolarHBondContact O-N 2.88Å; E201-R204 WeakPolarHBondContact O-CB 3.42Å; E201-R204 PolarHBondContact O-N 3.45Å; E201-R204 VanDerWaalsContact O-N 3.13Å; E201-L205 WeakPolarHBondContact O-CB 3.38Å; E201-L205 WeakPolarHBondContact O-CG 3.34Å; E201-L205 PolarHBondContact O-N 3.04Å
202Y53.7Low58.2Low158 Ų15891.8 Ų91.862%0.6248%0.484SS*.Hα-helixtrans-56.8-48.7173.4178.3-93.7000111.5G198 R204 L205 S206G198-Y202 VanDerWaalsContact O-CB 3.28Å; G198-Y202 WeakPolarHBondContact O-CB 3.43Å; G198-Y202 PolarHBondContact O-N 3.34Å; Y202-R204 VanDerWaalsContact C-N 3.27Å; Y202-R204 PolarHBondContact O-N 3.41Å; Y202-L205 PolarHBondContact O-N 2.92Å; Y202-S206 VanDerWaalsContact O-CB 3.29Å; Y202-S206 WeakPolarHBondContact O-CB 3.46Å; Y202-S206 PolarHBondContact O-N 2.75Å; Y202-S206 PolarHBondContact O-OG 3.11Å
203K52.9Low57.4Low131 Ų13192.1 Ų92.157%0.5749%0.489SS*.Hα-helixtrans-58.9-39.9176.6-79.6178-179.5178.80112.2Q199 F200 E201 S206Q199-K203 WeakPolarHBondContact O-CG 3.43Å; Q199-K203 PolarHBondContact O-N 3.45Å; Q199-K203 VanDerWaalsContact O-N 3.11Å; F200-K203 PolarHBondContact O-N 2.67Å; E201-K203 PolarHBondContact O-N 2.88Å; K203-S206 WeakPolarHBondContact CA-OG 3.37Å; K203-S206 PolarHBondContact O-OG 3.38Å
204R58.7Low57.1Low199 Ų19991.7 Ų91.775%0.75149%0.49SS*.Hα-helixtrans-67.7-43.9177.9-166.2179.9-172.2179.92.2112.1F200 E201 Y202 S206 G207F200-R204 PolarHBondContact O-N 2.71Å; E201-R204 WeakPolarHBondContact O-CB 3.42Å; E201-R204 PolarHBondContact O-N 3.45Å; E201-R204 VanDerWaalsContact O-N 3.13Å; Y202-R204 VanDerWaalsContact C-N 3.27Å; Y202-R204 PolarHBondContact O-N 3.41Å; R204-S206 VanDerWaalsContact C-N 3.34Å; R204-G207 PolarHBondContact O-N 2.97Å
205L52.6Low57.4Low153 Ų15392.6 Ų92.680%0.80150%0.496SS*.Hα-helixtrans-68.9-32.3177.7-70.6169.2000112.1E201 Y202 G207E201-L205 WeakPolarHBondContact O-CB 3.38Å; E201-L205 WeakPolarHBondContact O-CG 3.34Å; E201-L205 PolarHBondContact O-N 3.04Å; Y202-L205 PolarHBondContact O-N 2.92Å; L205-G207 PolarHBondContact O-N 3.39Å
206S56.8Low58Low62 Ų6288.6 Ų88.643%0.43447%0.474SS..THydrogen-bonded Turntrans-68.84.7175.671.30000114.6Y202 K203 R204 T208Y202-S206 VanDerWaalsContact O-CB 3.29Å; Y202-S206 WeakPolarHBondContact O-CB 3.46Å; Y202-S206 PolarHBondContact O-N 2.75Å; Y202-S206 PolarHBondContact O-OG 3.11Å; K203-S206 WeakPolarHBondContact CA-OG 3.37Å; K203-S206 PolarHBondContact O-OG 3.38Å; R204-S206 VanDerWaalsContact C-N 3.34Å; S206-T208 PolarHBondContact O-N 3.13Å
207G48.3Very low58.8Low43 Ų4387.8 Ų87.844%0.44347%0.467SS..THydrogen-bonded Turntrans6340160.400000115.6R204 L205 D209 S212R204-G207 PolarHBondContact O-N 2.97Å; L205-G207 PolarHBondContact O-N 3.39Å; G207-D209 VanDerWaalsContact C-N 3.25Å; G207-D209 PolarHBondContact O-N 3.4Å; G207-S212 PolarHBondContact O-OG 2.97Å
208T48.3Very low59.7Low82 Ų8291.1 Ų91.150%0.50349%0.487SS..  trans-81.668.9174.130.20000111.4S206S206-T208 PolarHBondContact O-N 3.13Å
209D43.7Very low60.8Low130 Ų13090.3 Ų90.370%0.69548%0.476SS*.  trans-75.4147.4161.4-88.1-35.4000110.4G207 Q211 S212 A213G207-D209 VanDerWaalsContact C-N 3.25Å; G207-D209 PolarHBondContact O-N 3.4Å; D209-Q211 PolarHBondContact O-N 3.29Å; D209-S212 PolarHBondContact N-OG 3.24Å; D209-S212 PolarHBondContact O-N 2.94Å; D209-S212 PolarHBondContact O-OG 3.44Å; D209-A213 PolarHBondContact O-N 3.22Å
210L52.1Low62Low165 Ų16586.2 Ų86.286%0.86446%0.457SS*.Hα-helixtrans-55-24.2-172.2-98.586.3000115
211Q47Very low63.2Low182 Ų18287.6 Ų87.685%0.8547%0.465SS*.Hα-helixtrans-75.9-27.7174.8-79.3179.7-10.500113.3D209D209-Q211 PolarHBondContact O-N 3.29Å
212S57.5Low64.5Low31 Ų3186.1 Ų86.122%0.21746%0.461CS..Hα-helixtrans-78-29.1174.370.10000112G207 D209 A214 S215 I216G207-S212 PolarHBondContact O-OG 2.97Å; D209-S212 PolarHBondContact N-OG 3.24Å; D209-S212 PolarHBondContact O-N 2.94Å; D209-S212 PolarHBondContact O-OG 3.44Å; S212-A214 VanDerWaalsContact C-N 3.29Å; S212-A214 PolarHBondContact O-N 3.26Å; S212-S215 PolarHBondContact O-N 3.37Å; S212-S215 PolarHBondContact O-OG 3.22Å; S212-S215 VanDerWaalsContact O-OG 3.04Å; S212-I216 VanDerWaalsContact O-CB 3.31Å; S212-I216 WeakPolarHBondContact O-CB 3.28Å; S212-I216 WeakPolarHBondContact O-CD1 3.49Å; S212-I216 WeakPolarHBondContact O-CG1 3.33Å; S212-I216 PolarHBondContact O-N 3.03Å
213A60Low66.1Low27 Ų2778.7 Ų78.722%0.22343%0.431CS..Hα-helixtrans-60.5-36.9179.400000113.2D209 S217D209-A213 PolarHBondContact O-N 3.22Å; A213-S217 VanDerWaalsContact O-CB 3.24Å; A213-S217 WeakPolarHBondContact O-CB 3.49Å; A213-S217 PolarHBondContact O-N 2.81Å
214A65Low67.9Low57 Ų5775.4 Ų75.447%0.47142%0.416SS..Hα-helixtrans-66.7-49.817800000111.9S212 I216 S217 D218S212-A214 VanDerWaalsContact C-N 3.29Å; S212-A214 PolarHBondContact O-N 3.26Å; A214-I216 VanDerWaalsContact C-N 3.35Å; A214-I216 PolarHBondContact O-N 3.32Å; A214-S217 WeakPolarHBondContact O-CB 3.46Å; A214-S217 PolarHBondContact O-N 3.13Å; A214-S217 VanDerWaalsContact O-N 3.15Å; A214-D218 PolarHBondContact O-N 2.82Å
215S72.6Confident69.4Low72 Ų7268 Ų6850%0.50339%0.394SS..Hα-helixtrans-66.5-36179.362.10000112.7S212 D218 S219S212-S215 PolarHBondContact O-N 3.37Å; S212-S215 PolarHBondContact O-OG 3.22Å; S212-S215 VanDerWaalsContact O-OG 3.04Å; S215-D218 PolarHBondContact O-N 3.44Å; S215-S219 PolarHBondContact O-N 3.32Å; S215-S219 VanDerWaalsContact O-N 3.09Å; S215-S219 PolarHBondContact O-OG 3.37Å
216I73.8Confident71.2Confident25 Ų2565.5 Ų65.513%0.12837%0.374CS..Hα-helixtrans-65.8-41.2172.4-65.6167.4000110.2S212 A214 D218 S219 V220 N472 L517S212-I216 VanDerWaalsContact O-CB 3.31Å; S212-I216 WeakPolarHBondContact O-CB 3.28Å; S212-I216 WeakPolarHBondContact O-CD1 3.49Å; S212-I216 WeakPolarHBondContact O-CG1 3.33Å; S212-I216 PolarHBondContact O-N 3.03Å; A214-I216 VanDerWaalsContact C-N 3.35Å; A214-I216 PolarHBondContact O-N 3.32Å; I216-D218 VanDerWaalsContact C-N 3.33Å; I216-D218 PolarHBondContact O-N 3.21Å; I216-S219 PolarHBondContact O-N 3.03Å; I216-S219 PolarHBondContact O-OG 2.78Å; I216-V220 VanDerWaalsContact O-CG2 3.27Å; I216-V220 WeakPolarHBondContact O-CG2 3.45Å; I216-V220 PolarHBondContact O-N 3.29Å; I216-V220 VanDerWaalsContact O-N 3.13Å; I216-N472 WeakPolarHBondContact CG2-OD1 3.42Å; I216-L517 HydrophobicContact CB-CD1 4.5Å; I216-L517 HydrophobicContact CG2-CD1 3.54Å; I216-L517 HydrophobicContact CG2-CD2 4.09Å; I216-L517 HydrophobicContact CG2-CG 4.49Å
217S79.1Confident72.8Confident18 Ų1862.7 Ų62.713%0.12635%0.354CS..Hα-helixtrans-61.1-43.8175.5178.30000111.1A213 A214 V220 I221 L514A213-S217 VanDerWaalsContact O-CB 3.24Å; A213-S217 WeakPolarHBondContact O-CB 3.49Å; A213-S217 PolarHBondContact O-N 2.81Å; A214-S217 WeakPolarHBondContact O-CB 3.46Å; A214-S217 PolarHBondContact O-N 3.13Å; A214-S217 VanDerWaalsContact O-N 3.15Å; S217-V220 PolarHBondContact O-N 2.87Å; S217-I221 WeakPolarHBondContact O-CB 3.36Å; S217-I221 WeakPolarHBondContact O-CD1 3.42Å; S217-I221 WeakPolarHBondContact O-CG1 3.44Å; S217-I221 PolarHBondContact O-N 3.49Å; S217-L514 WeakPolarHBondContact O-CD2 3.3Å
218D84.7Confident74.7Confident106 Ų10664.2 Ų64.257%0.56735%0.352SS*.Hα-helixtrans-65-41-179.1-69.8-19.7000112.6A214 S215 I216 I221 L222A214-D218 PolarHBondContact O-N 2.82Å; S215-D218 PolarHBondContact O-N 3.44Å; I216-D218 VanDerWaalsContact C-N 3.33Å; I216-D218 PolarHBondContact O-N 3.21Å; D218-I221 PolarHBondContact O-N 3.16Å; D218-L222 WeakPolarHBondContact O-CB 3.38Å; D218-L222 PolarHBondContact O-N 2.92Å
219S84.3Confident76.6Confident20 Ų2066.5 Ų66.514%0.1436%0.357CS..Hα-helixtrans-66.7-39.5177.266.80000112.6S215 I216 L222 S223 N472S215-S219 PolarHBondContact O-N 3.32Å; S215-S219 VanDerWaalsContact O-N 3.09Å; S215-S219 PolarHBondContact O-OG 3.37Å; I216-S219 PolarHBondContact O-N 3.03Å; I216-S219 PolarHBondContact O-OG 2.78Å; S219-L222 PolarHBondContact O-N 3.04Å; S219-S223 WeakPolarHBondContact O-CB 3.1Å; S219-S223 PolarHBondContact O-N 2.94Å; S219-S223 PolarHBondContact O-OG 2.84Å; S219-N472 WeakPolarHBondContact OG-CB 3.29Å; S219-N472 PolarHBondContact OG-OD1 3.1Å
220V85.5Confident78.7Confident0 Ų063.6 Ų63.60%034%0.339CS..Hα-helixtrans-69-36.6175.21790000111.1I216 S217 S223 R224 I469 L514I216-V220 VanDerWaalsContact O-CG2 3.27Å; I216-V220 WeakPolarHBondContact O-CG2 3.45Å; I216-V220 PolarHBondContact O-N 3.29Å; I216-V220 VanDerWaalsContact O-N 3.13Å; S217-V220 PolarHBondContact O-N 2.87Å; V220-S223 WeakPolarHBondContact CA-OG 3.37Å; V220-S223 PolarHBondContact O-OG 3.38Å; V220-R224 WeakPolarHBondContact O-CB 3.46Å; V220-R224 WeakPolarHBondContact O-CG 3.47Å; V220-R224 PolarHBondContact O-N 2.88Å; V220-I469 HydrophobicContact CG1-CG2 4.23Å; V220-I469 HydrophobicContact CG2-CG2 4.26Å; V220-L514 HydrophobicContact CB-CD2 3.8Å; V220-L514 HydrophobicContact CB-CG 4.18Å; V220-L514 HydrophobicContact CG1-CD1 4.07Å; V220-L514 HydrophobicContact CG1-CD2 3.81Å; V220-L514 HydrophobicContact CG1-CG 3.59Å
221I88.1Confident80.3Confident78 Ų7856.8 Ų56.840%0.430%0.304SS..Hα-helixtrans-62.9-47.8172.7-71.7163.6000110.4S217 D218 R224 S225 L514S217-I221 WeakPolarHBondContact O-CB 3.36Å; S217-I221 WeakPolarHBondContact O-CD1 3.42Å; S217-I221 WeakPolarHBondContact O-CG1 3.44Å; S217-I221 PolarHBondContact O-N 3.49Å; D218-I221 PolarHBondContact O-N 3.16Å; I221-R224 PolarHBondContact O-N 2.94Å; I221-S225 WeakPolarHBondContact O-CB 3.29Å; I221-S225 PolarHBondContact O-N 2.93Å; I221-L514 HydrophobicContact CD1-CD2 4.41Å; I221-L514 HydrophobicContact CG1-CD1 3.86Å; I221-L514 HydrophobicContact CG1-CD2 3.86Å
222L89.2Confident82.2Confident70 Ų7053.5 Ų53.537%0.36629%0.292SS..Hα-helixtrans-63.8-45.3-177.9179.562000112.8D218 S219 S225 R226 A474D218-L222 WeakPolarHBondContact O-CB 3.38Å; D218-L222 PolarHBondContact O-N 2.92Å; S219-L222 PolarHBondContact O-N 3.04Å; L222-S225 PolarHBondContact O-N 3.39Å; L222-S225 PolarHBondContact O-OG 2.88Å; L222-R226 HydrophobicContact CD1-CG 4.36Å; L222-R226 WeakPolarHBondContact O-CB 3.24Å; L222-R226 WeakPolarHBondContact O-CG 3.36Å; L222-R226 PolarHBondContact O-N 2.85Å; L222-A474 HydrophobicContact CD2-CB 3.74Å; L222-A474 HydrophobicContact CG-CB 4.26Å
223S88Confident83.3Confident1 Ų154.5 Ų54.51%0.00731%0.307CS..Hα-helixtrans-63.1-41.8177.753.20000112S219 V220 L227 L473S219-S223 WeakPolarHBondContact O-CB 3.1Å; S219-S223 PolarHBondContact O-N 2.94Å; S219-S223 PolarHBondContact O-OG 2.84Å; V220-S223 WeakPolarHBondContact CA-OG 3.37Å; V220-S223 PolarHBondContact O-OG 3.38Å; S223-L227 WeakPolarHBondContact O-CB 3.41Å; S223-L227 PolarHBondContact O-N 3.35Å; S223-L473 VanDerWaalsContact CB-O 3.24Å; S223-L473 WeakPolarHBondContact CB-O 3.31Å
224R91.7Very high84.2Confident63 Ų6361.1 Ų61.124%0.23833%0.331CS..Hα-helixtrans-64.4-46.3173.5-76.6179.979.1-135.4-0.3112.4V220 I221 R226 L227 N228 L507 E511V220-R224 WeakPolarHBondContact O-CB 3.46Å; V220-R224 WeakPolarHBondContact O-CG 3.47Å; V220-R224 PolarHBondContact O-N 2.88Å; I221-R224 PolarHBondContact O-N 2.94Å; R224-R226 VanDerWaalsContact C-N 3.34Å; R224-R226 PolarHBondContact O-N 3.01Å; R224-L227 PolarHBondContact O-N 2.77Å; R224-N228 VanDerWaalsContact O-CB 3.25Å; R224-N228 WeakPolarHBondContact O-CB 3.03Å; R224-N228 PolarHBondContact O-N 2.92Å; R224-L507 HydrophobicContact CB-CD2 4.26Å; R224-L507 HydrophobicContact CG-CD2 4.39Å; R224-L507 PolarHBondContact NE-O 2.79Å; R224-L507 WeakPolarHBondContact O-CD2 3.19Å; R224-E511 IonicContact NH2-OE2 3.33Å; R224-E511 PolarHBondContact NH2-OE2 3.29Å
225S89.1Confident85.3Confident43 Ų4364.6 Ų64.630%0.30134%0.337SS..Hα-helixtrans-61.5-45.8-177.371.70000110.5I221 L222 N228 E229I221-S225 WeakPolarHBondContact O-CB 3.29Å; I221-S225 PolarHBondContact O-N 2.93Å; L222-S225 PolarHBondContact O-N 3.39Å; L222-S225 PolarHBondContact O-OG 2.88Å; S225-N228 PolarHBondContact O-N 2.83Å; S225-E229 WeakPolarHBondContact O-CB 3.46Å; S225-E229 WeakPolarHBondContact O-CG 3.45Å; S225-E229 PolarHBondContact O-N 3.15Å
226R89.6Confident86.2Confident101 Ų10161.4 Ų61.438%0.38131%0.314SS..Hα-helixtrans-61-49.5175.7-74.3178.6175.5-173.81.1112.5L222 R224 N228 E229 E230 A474L222-R226 HydrophobicContact CD1-CG 4.36Å; L222-R226 WeakPolarHBondContact O-CB 3.24Å; L222-R226 WeakPolarHBondContact O-CG 3.36Å; L222-R226 PolarHBondContact O-N 2.85Å; R224-R226 VanDerWaalsContact C-N 3.34Å; R224-R226 PolarHBondContact O-N 3.01Å; R226-N228 VanDerWaalsContact C-N 3.26Å; R226-N228 PolarHBondContact O-N 2.88Å; R226-E229 PolarHBondContact O-N 3.37Å; R226-E230 WeakPolarHBondContact O-CB 3.42Å; R226-E230 VanDerWaalsContact O-CG 3.32Å; R226-E230 WeakPolarHBondContact O-CG 3.43Å; R226-E230 PolarHBondContact O-N 3.09Å; R226-A474 VanDerWaalsContact CD-O 3.32Å; R226-A474 WeakPolarHBondContact CD-O 3.46Å
227L90.5Very high87.1Confident3 Ų361.5 Ų61.52%0.01632%0.315CS..Hα-helixtrans-59.1-40.8178.1177.561.2000111.2S223 R224 L231 M236 L476 P478 V506 L507S223-L227 WeakPolarHBondContact O-CB 3.41Å; S223-L227 PolarHBondContact O-N 3.35Å; R224-L227 PolarHBondContact O-N 2.77Å; L227-L231 WeakPolarHBondContact O-CB 3.21Å; L227-L231 PolarHBondContact O-N 3.2Å; L227-M236 HydrophobicContact CD1-CE 4.07Å; L227-L476 HydrophobicContact CB-CD1 4.48Å; L227-L476 HydrophobicContact CD2-CD1 3.97Å; L227-P478 HydrophobicContact CD1-CG 3.86Å; L227-V506 HydrophobicContact CD2-CB 4.3Å; L227-V506 HydrophobicContact CD2-CG1 3.84Å; L227-L507 HydrophobicContact CB-CD2 4.03Å; L227-L507 HydrophobicContact CD2-CD2 3.82Å; L227-L507 HydrophobicContact CD2-CG 3.83Å; L227-L507 HydrophobicContact CG-CD2 3.94Å; L227-L507 HydrophobicContact CG-CG 4.16Å
228N89.5Confident87.8Confident74 Ų7463.5 Ų63.540%0.39633%0.329SS..Hα-helixtrans-68.6-40.4178.8-167.360.1000112.3R224 S225 R226 L231 N232 L507R224-N228 VanDerWaalsContact O-CB 3.25Å; R224-N228 WeakPolarHBondContact O-CB 3.03Å; R224-N228 PolarHBondContact O-N 2.92Å; S225-N228 PolarHBondContact O-N 2.83Å; R226-N228 VanDerWaalsContact C-N 3.26Å; R226-N228 PolarHBondContact O-N 2.88Å; N228-L231 PolarHBondContact O-N 3.19Å; N228-N232 WeakPolarHBondContact O-CB 3.4Å; N228-N232 PolarHBondContact O-N 3.43Å; N228-N232 PolarHBondContact O-ND2 3.04Å; N228-L507 HydrophobicContact CB-CD1 4.43Å; N228-L507 HydrophobicContact CB-CD2 4.14Å
229E88.1Confident88.3Confident130 Ų13062.4 Ų62.461%0.60732%0.32SS*.Hα-helixtrans-62.9-49.3174.1-77171.3-164.200111.8S225 R226 L231 N232 G233S225-E229 WeakPolarHBondContact O-CB 3.46Å; S225-E229 WeakPolarHBondContact O-CG 3.45Å; S225-E229 PolarHBondContact O-N 3.15Å; R226-E229 PolarHBondContact O-N 3.37Å; E229-L231 VanDerWaalsContact C-N 3.29Å; E229-L231 PolarHBondContact O-N 3.04Å; E229-N232 PolarHBondContact O-N 3.18Å; E229-G233 PolarHBondContact O-N 3.28Å
230E86.6Confident88.9Confident70 Ų7061.8 Ų61.833%0.32732%0.315SS..Hα-helixtrans-61.9-38.4178.8-67.4177.3174.900111.3R226 G233 M236R226-E230 WeakPolarHBondContact O-CB 3.42Å; R226-E230 VanDerWaalsContact O-CG 3.32Å; R226-E230 WeakPolarHBondContact O-CG 3.43Å; R226-E230 PolarHBondContact O-N 3.09Å; E230-G233 PolarHBondContact O-N 3.37Å; E230-M236 HydrophobicContact CB-CE 3.1Å; E230-M236 HydrophobicContact CG-CE 4.22Å; E230-M236 WeakPolarHBondContact O-CB 3.4Å; E230-M236 VanDerWaalsContact OE2-CE 3.3Å; E230-M236 WeakPolarHBondContact OE2-CE 3.26Å
231L86.9Confident89.3Confident21 Ų2167.4 Ų67.411%0.1134%0.342CS..Hα-helixtrans-66.2-41.8177.7-169.967.2000111.6L227 N228 E229 G233 M236 L500 C503 L507L227-L231 WeakPolarHBondContact O-CB 3.21Å; L227-L231 PolarHBondContact O-N 3.2Å; N228-L231 PolarHBondContact O-N 3.19Å; E229-L231 VanDerWaalsContact C-N 3.29Å; E229-L231 PolarHBondContact O-N 3.04Å; L231-G233 VanDerWaalsContact C-N 3.3Å; L231-G233 PolarHBondContact O-N 3.46Å; L231-M236 HydrophobicContact CD1-SD 4.3Å; L231-L500 HydrophobicContact CD1-CD2 3.5Å; L231-L500 VanDerWaalsContact CD1-CD2 3.5Å; L231-L500 HydrophobicContact CG-CD2 4.44Å; L231-C503 HydrophobicContact CD1-CB 4Å; L231-C503 HydrophobicContact CD2-CB 4.19Å; L231-L507 HydrophobicContact CD2-CD1 4.09Å
232N86.1Confident89.7Confident114 Ų11468 Ų6861%0.6135%0.353SS*.Hα-helixtrans-70.9-25.8177.6-72-33.1000112.8N228 E229 K234N228-N232 WeakPolarHBondContact O-CB 3.4Å; N228-N232 PolarHBondContact O-N 3.43Å; N228-N232 PolarHBondContact O-ND2 3.04Å; E229-N232 PolarHBondContact O-N 3.18Å; N232-K234 PolarHBondContact O-N 3.38Å; N232-K234 VanDerWaalsContact O-N 3.08Å
233G81.6Confident90Very high51 Ų5165.7 Ų65.753%0.52634%0.341SS..THydrogen-bonded Turntrans-67.6-4-176.300000116E229 E230 L231 Q235E229-G233 PolarHBondContact O-N 3.28Å; E230-G233 PolarHBondContact O-N 3.37Å; L231-G233 VanDerWaalsContact C-N 3.3Å; L231-G233 PolarHBondContact O-N 3.46Å; G233-Q235 PolarHBondContact O-N 3.11Å
234K79Confident90.3Very high166 Ų16669.3 Ų69.372%0.72236%0.364SS*.SBendtrans56.3-22.2-170.5-65.2-173.8177.2-1780115.8N232 M236 I237 S238N232-K234 PolarHBondContact O-N 3.38Å; N232-K234 VanDerWaalsContact O-N 3.08Å; K234-M236 VanDerWaalsContact C-N 3.33Å; K234-M236 PolarHBondContact O-N 3.04Å; K234-I237 WeakPolarHBondContact O-CB 3.41Å; K234-I237 PolarHBondContact O-N 3.07Å; K234-S238 PolarHBondContact O-N 3.24Å; K234-S238 VanDerWaalsContact O-N 3.07Å
235Q88.2Confident90.4Very high131 Ų13171.4 Ų71.461%0.61237%0.372SS*.Hα-helixtrans-61.5-38.5178.5-171.3178.718.600111.9G233 I237 S238 Q239G233-Q235 PolarHBondContact O-N 3.11Å; Q235-I237 VanDerWaalsContact C-N 3.3Å; Q235-I237 PolarHBondContact O-N 3.46Å; Q235-S238 PolarHBondContact O-N 2.98Å; Q235-S238 PolarHBondContact O-OG 2.92Å; Q235-Q239 HydrophobicContact CG-CG 4.5Å; Q235-Q239 WeakPolarHBondContact O-CB 3.44Å; Q235-Q239 VanDerWaalsContact O-CG 3.22Å; Q235-Q239 WeakPolarHBondContact O-CG 3.47Å; Q235-Q239 PolarHBondContact O-N 3.38Å
236M91.1Very high90.6Very high5 Ų573 Ų733%0.02537%0.374CS..Hα-helixtrans-61.9-41.1176.2-171.2-168.1-61.800111.5L227 E230 L231 K234 Q239 F240 P478 V479 F499L227-M236 HydrophobicContact CD1-CE 4.07Å; E230-M236 HydrophobicContact CB-CE 3.1Å; E230-M236 HydrophobicContact CG-CE 4.22Å; E230-M236 WeakPolarHBondContact O-CB 3.4Å; E230-M236 VanDerWaalsContact OE2-CE 3.3Å; E230-M236 WeakPolarHBondContact OE2-CE 3.26Å; L231-M236 HydrophobicContact CD1-SD 4.3Å; K234-M236 VanDerWaalsContact C-N 3.33Å; K234-M236 PolarHBondContact O-N 3.04Å; M236-Q239 PolarHBondContact O-N 3.34Å; M236-F240 WeakPolarHBondContact O-CB 3.4Å; M236-F240 PolarHBondContact O-N 3.21Å; M236-P478 HydrophobicContact CE-CG 4.04Å; M236-P478 HydrophobicContact SD-CG 3.65Å; M236-V479 HydrophobicContact CG-CG2 3.37Å; M236-V479 HydrophobicContact SD-CG2 4.35Å; M236-F499 HydrophobicContact CG-CE1 3.86Å; M236-F499 HydrophobicContact CG-CZ 3.97Å; M236-F499 HydrophobicContact SD-CE1 3.6Å; M236-F499 VanDerWaalsContact SD-CE1 3.6Å; M236-F499 HydrophobicContact SD-CZ 3.64Å
237I92.8Very high90.6Very high26 Ų2670.3 Ų70.313%0.13337%0.369CS..Hα-helixtrans-65.1-45.7178.3-61.8172.6000109.7K234 Q235 Q239 F240 Q241 E496 L500K234-I237 WeakPolarHBondContact O-CB 3.41Å; K234-I237 PolarHBondContact O-N 3.07Å; Q235-I237 VanDerWaalsContact C-N 3.3Å; Q235-I237 PolarHBondContact O-N 3.46Å; I237-Q239 VanDerWaalsContact C-N 3.3Å; I237-Q239 PolarHBondContact O-N 3.09Å; I237-F240 PolarHBondContact O-N 3.42Å; I237-Q241 HydrophobicContact CG2-CG 4.33Å; I237-Q241 WeakPolarHBondContact O-CB 3.44Å; I237-Q241 VanDerWaalsContact O-CG 3.31Å; I237-Q241 WeakPolarHBondContact O-CG 3.39Å; I237-Q241 PolarHBondContact O-N 3.15Å; I237-E496 VanDerWaalsContact CG2-CD 3.41Å; I237-E496 HydrophobicContact CG2-CG 3.89Å; I237-E496 WeakPolarHBondContact CG2-OE1 3.49Å; I237-L500 HydrophobicContact CD1-CD2 3.88Å; I237-L500 HydrophobicContact CG1-CD2 4.01Å
238S93.6Very high90.5Very high61 Ų6174.3 Ų74.343%0.42740%0.395SS..Hα-helixtrans-63.1-38176.870.50000112.1K234 Q235 Q241 S242K234-S238 PolarHBondContact O-N 3.24Å; K234-S238 VanDerWaalsContact O-N 3.07Å; Q235-S238 PolarHBondContact O-N 2.98Å; Q235-S238 PolarHBondContact O-OG 2.92Å; S238-Q241 PolarHBondContact O-N 3.34Å; S238-S242 WeakPolarHBondContact O-CB 3.45Å; S238-S242 PolarHBondContact O-N 3.44Å; S238-S242 PolarHBondContact O-OG 3.28Å
239Q94.9Very high90.6Very high82 Ų8278.9 Ų78.938%0.38342%0.42SS..Hα-helixtrans-63-46.8174.8-73.1172-14.300111.2Q235 M236 I237 Q241 S242 L243 V479Q235-Q239 HydrophobicContact CG-CG 4.5Å; Q235-Q239 WeakPolarHBondContact O-CB 3.44Å; Q235-Q239 VanDerWaalsContact O-CG 3.22Å; Q235-Q239 WeakPolarHBondContact O-CG 3.47Å; Q235-Q239 PolarHBondContact O-N 3.38Å; M236-Q239 PolarHBondContact O-N 3.34Å; I237-Q239 VanDerWaalsContact C-N 3.3Å; I237-Q239 PolarHBondContact O-N 3.09Å; Q239-Q241 PolarHBondContact O-N 3.42Å; Q239-S242 PolarHBondContact O-N 2.96Å; Q239-S242 PolarHBondContact O-OG 2.97Å; Q239-L243 PolarHBondContact O-N 2.5Å; Q239-V479 HydrophobicContact CB-CG1 3.98Å; Q239-V479 HydrophobicContact CB-CG2 4.38Å
240F96Very high90.8Very high7 Ų774.3 Ų74.33%0.03140%0.401CS..Hα-helixtrans-59.1-45.8175.1168.4-96.5000112.1M236 I237 S242 L243 V479 V482 V493 T495 E496 F499M236-F240 WeakPolarHBondContact O-CB 3.4Å; M236-F240 PolarHBondContact O-N 3.21Å; I237-F240 PolarHBondContact O-N 3.42Å; F240-S242 VanDerWaalsContact C-N 3.26Å; F240-S242 PolarHBondContact O-N 2.93Å; F240-L243 HydrophobicContact CD2-CD1 4.44Å; F240-L243 WeakPolarHBondContact O-CB 3.35Å; F240-L243 PolarHBondContact O-N 3.28Å; F240-L243 VanDerWaalsContact O-N 3.17Å; F240-V479 HydrophobicContact CB-CG2 4.45Å; F240-V482 HydrophobicContact CD2-CG1 4.19Å; F240-V482 HydrophobicContact CE2-CG1 3.98Å; F240-V493 HydrophobicContact CE2-CB 4.24Å; F240-V493 HydrophobicContact CE2-CG1 3.81Å; F240-V493 HydrophobicContact CZ-CG1 3.96Å; F240-T495 WeakPolarHBondContact CZ-O 3.49Å; F240-E496 HydrophobicContact CE1-CB 4.46Å; F240-F499 HydrophobicContact CB-CD1 4.08Å; F240-F499 HydrophobicContact CB-CE1 4.06Å; F240-F499 HydrophobicContact CB-CG 4.37Å; F240-F499 HydrophobicContact CB-CZ 4.33Å; F240-F499 HydrophobicContact CD1-CB 4.15Å; F240-F499 HydrophobicContact CD1-CD1 4.35Å; F240-F499 HydrophobicContact CD1-CG 4.23Å; F240-F499 HydrophobicContact CD2-CB 3.96Å; F240-F499 HydrophobicContact CD2-CD1 4.18Å; F240-F499 AromaticContact CD2-CD2 3.5Å; F240-F499 HydrophobicContact CD2-CD2 3.5Å; F240-F499 VanDerWaalsContact CD2-CD2 3.5Å; F240-F499 AromaticContact CD2-CE2 3.99Å; F240-F499 HydrophobicContact CD2-CE2 3.99Å; F240-F499 AromaticContact CD2-CG 3.6Å; F240-F499 HydrophobicContact CD2-CG 3.6Å; F240-F499 HydrophobicContact CE1-CB 3.98Å; F240-F499 HydrophobicContact CE1-CG 4.5Å; F240-F499 HydrophobicContact CE2-CB 3.74Å; F240-F499 AromaticContact CE2-CD2 3.82Å; F240-F499 HydrophobicContact CE2-CD2 3.82Å; F240-F499 AromaticContact CE2-CG 3.88Å; F240-F499 HydrophobicContact CE2-CG 3.88Å; F240-F499 HydrophobicContact CG-CB 4.16Å; F240-F499 AromaticContact CG-CD1 3.93Å; F240-F499 HydrophobicContact CG-CD1 3.93Å; F240-F499 HydrophobicContact CG-CD2 4.11Å; F240-F499 HydrophobicContact CG-CE1 4.36Å; F240-F499 AromaticContact CG-CG 3.79Å; F240-F499 HydrophobicContact CG-CG 3.79Å; F240-F499 HydrophobicContact CZ-CB 3.77Å; F240-F499 HydrophobicContact CZ-CG 4.34Å
241Q94.9Very high91.2Very high119 Ų11973.9 Ų73.956%0.55641%0.405SS*.Hα-helixtrans-63-32.6177.4-72174-16.600112.2I237 S238 Q239 L243 E496I237-Q241 HydrophobicContact CG2-CG 4.33Å; I237-Q241 WeakPolarHBondContact O-CB 3.44Å; I237-Q241 VanDerWaalsContact O-CG 3.31Å; I237-Q241 WeakPolarHBondContact O-CG 3.39Å; I237-Q241 PolarHBondContact O-N 3.15Å; S238-Q241 PolarHBondContact O-N 3.34Å; Q239-Q241 PolarHBondContact O-N 3.42Å; Q241-L243 VanDerWaalsContact C-N 3.3Å; Q241-L243 PolarHBondContact O-N 3Å; Q241-E496 PolarHBondContact NE2-OE2 2.95Å
242S95.7Very high91.7Very high91 Ų9173.3 Ų73.364%0.63640%0.402SS*.Hα-helixtrans-77.4-12.3177.677.10000114.2S238 Q239 F240S238-S242 WeakPolarHBondContact O-CB 3.45Å; S238-S242 PolarHBondContact O-N 3.44Å; S238-S242 PolarHBondContact O-OG 3.28Å; Q239-S242 PolarHBondContact O-N 2.96Å; Q239-S242 PolarHBondContact O-OG 2.97Å; F240-S242 VanDerWaalsContact C-N 3.26Å; F240-S242 PolarHBondContact O-N 2.93Å
243L96Very high92.2Very high21 Ų2171.4 Ų71.411%0.1140%0.397CS..SBendtrans-64.6132.6179.6-71.4-178.8000110.5Q239 F240 Q241 V479 V482 K483 R486Q239-L243 PolarHBondContact O-N 2.5Å; F240-L243 HydrophobicContact CD2-CD1 4.44Å; F240-L243 WeakPolarHBondContact O-CB 3.35Å; F240-L243 PolarHBondContact O-N 3.28Å; F240-L243 VanDerWaalsContact O-N 3.17Å; Q241-L243 VanDerWaalsContact C-N 3.3Å; Q241-L243 PolarHBondContact O-N 3Å; L243-V479 HydrophobicContact CD1-CG1 3.83Å; L243-V479 HydrophobicContact CD2-CG1 4.2Å; L243-V479 HydrophobicContact CG-CG1 4.09Å; L243-V482 HydrophobicContact CD1-CB 4Å; L243-V482 HydrophobicContact CD1-CG1 3.74Å; L243-K483 HydrophobicContact CD1-CB 4.23Å; L243-K483 HydrophobicContact CD2-CB 3.84Å; L243-K483 HydrophobicContact CD2-CD 4.12Å; L243-K483 HydrophobicContact CD2-CG 4Å; L243-R486 VanDerWaalsContact CB-NH1 3.31Å; L243-R486 PolarHBondContact O-NH1 3.03Å
244P95.4Very high92.9Very high76 Ų7670.1 Ų70.149%0.49438%0.381SS..  trans-62.1147.817428.4-34.6000110Q246 R486P244-Q246 VanDerWaalsContact C-N 3.27Å; P244-Q246 PolarHBondContact O-N 3.18Å; P244-R486 WeakPolarHBondContact O-CD 3.35Å; P244-R486 PolarHBondContact O-NH1 2.91Å
245R93.9Very high93.7Very high108 Ų10862.2 Ų62.241%0.40835%0.346SS..SBendtrans-67.8-30.7176.8-177.3176.8173130.8-6.3111.9M490 G491R245-M490 HydrophobicContact CG-CE 4.46Å; R245-M490 CarbonylContact O-C 3.55Å; R245-G491 PolarHBondContact O-N 3.44Å
246Q92Very high94.1Very high76 Ų7663.2 Ų63.236%0.35534%0.344SS..SBendtrans-142.4155.7-177.364.4179.354.200110.1P244 Y272 M490P244-Q246 VanDerWaalsContact C-N 3.27Å; P244-Q246 PolarHBondContact O-N 3.18Å; Q246-Y272 WeakPolarHBondContact CA-OH 3.5Å; Q246-Y272 HydrophobicContact CB-CE1 4.41Å; Q246-Y272 WeakPolarHBondContact CB-OH 3.27Å; Q246-M490 HydrophobicContact CB-CB 3.91Å
247T90.3Very high94.3Very high44 Ų4464.1 Ų64.127%0.2735%0.353SS..  trans-63131.9166-52.80000109.8V250 Y272 S487T247-V250 VanDerWaalsContact CB-CG2 3.49Å; T247-V250 HydrophobicContact CG2-CG2 3.49Å; T247-V250 VanDerWaalsContact CG2-CG2 3.49Å; T247-Y272 PolarHBondContact N-OH 3.05Å; T247-S487 WeakPolarHBondContact OG1-CA 3.43Å; T247-S487 WeakPolarHBondContact OG1-CB 3.26Å
248P88.8Confident94.4Very high87 Ų8773.2 Ų73.257%0.56539%0.386SS*.THydrogen-bonded Turntrans-64.3154.3172.428-33.7000110.8V250P248-V250 PolarHBondContact O-N 2.98Å
249D89.9Confident94.5Very high170 Ų17076 Ų7691%0.90939%0.392SS*.THydrogen-bonded Turntrans60.717171.9-47.7-46.6000116.4
250V93Very high94.5Very high35 Ų3572.3 Ų72.321%0.21238%0.375CS..  trans-91.4137.6172.9-170.30000110.9T247 P248 Y272 Y274T247-V250 VanDerWaalsContact CB-CG2 3.49Å; T247-V250 HydrophobicContact CG2-CG2 3.49Å; T247-V250 VanDerWaalsContact CG2-CG2 3.49Å; P248-V250 PolarHBondContact O-N 2.98Å; V250-Y272 HydrophobicContact CB-CD1 3.76Å; V250-Y272 HydrophobicContact CB-CE1 4.01Å; V250-Y272 HydrophobicContact CB-CG 4.41Å; V250-Y272 HydrophobicContact CG1-CD1 3.36Å; V250-Y272 HydrophobicContact CG1-CE1 4.1Å; V250-Y272 HydrophobicContact CG1-CG 3.62Å; V250-Y274 HydrophobicContact CG1-CD1 3.73Å; V250-Y274 HydrophobicContact CG1-CE1 4Å
251S95.9Very high94.5Very high60 Ų6080 Ų8042%0.4240%0.403SS..  trans-78.5146.1-177.5-175.50000113.2S253 D273S251-S253 PolarHBondContact OG-N 3.4Å; S251-D273 WeakPolarHBondContact CB-OD2 3.37Å; S251-D273 PolarHBondContact O-N 2.97Å; S251-D273 PolarHBondContact OG-OD2 3.26Å
252F96.2Very high94.5Very high10 Ų1078.1 Ų78.14%0.04440%0.403CS..  trans-128.827.7173.2-62.1-85000110.6S254 A255 R256 L270 P271 Y272 D273 M490F252-S254 PolarHBondContact O-N 3.34Å; F252-A255 PolarHBondContact O-N 3.49Å; F252-R256 HydrophobicContact CB-CG 4.32Å; F252-R256 WeakPolarHBondContact O-CB 3.34Å; F252-R256 VanDerWaalsContact O-CG 3.3Å; F252-R256 WeakPolarHBondContact O-CG 3.32Å; F252-R256 PolarHBondContact O-N 2.89Å; F252-L270 HydrophobicContact CB-CD1 4.24Å; F252-L270 HydrophobicContact CD1-CB 3.5Å; F252-L270 HydrophobicContact CD1-CD1 4.37Å; F252-L270 HydrophobicContact CE1-CB 3.91Å; F252-L270 WeakPolarHBondContact CE1-O 3.37Å; F252-L270 HydrophobicContact CG-CB 4.37Å; F252-L270 HydrophobicContact CG-CD1 4.47Å; F252-P271 WeakPolarHBondContact CD1-O 3.19Å; F252-Y272 HydrophobicContact CD1-CD1 4.23Å; F252-Y272 AromaticContact CE1-CD1 3.45Å; F252-Y272 HydrophobicContact CE1-CD1 3.45Å; F252-Y272 VanDerWaalsContact CE1-CD1 3.45Å; F252-Y272 AromaticContact CE1-CE1 3.66Å; F252-Y272 HydrophobicContact CE1-CE1 3.66Å; F252-Y272 HydrophobicContact CE1-CG 4.43Å; F252-Y272 HydrophobicContact CE2-CD1 4.14Å; F252-Y272 HydrophobicContact CE2-CE1 4.02Å; F252-Y272 AromaticContact CZ-CD1 3.44Å; F252-Y272 HydrophobicContact CZ-CD1 3.44Å; F252-Y272 VanDerWaalsContact CZ-CD1 3.44Å; F252-Y272 AromaticContact CZ-CE1 3.23Å; F252-Y272 HydrophobicContact CZ-CE1 3.23Å; F252-D273 PolarHBondContact N-OD2 2.7Å; F252-M490 HydrophobicContact CE1-SD 4.09Å; F252-M490 HydrophobicContact CZ-SD 4.13Å
253S96.7Very high94.5Very high73 Ų7375.4 Ų75.451%0.5138%0.379SS..Hα-helixtrans-61.4-43.8-17167.80000111.4S251 A255 R256 A257 D273S251-S253 PolarHBondContact OG-N 3.4Å; S253-A255 PolarHBondContact O-N 3.09Å; S253-R256 PolarHBondContact O-N 2.95Å; S253-A257 PolarHBondContact O-N 3.41Å; S253-D273 WeakPolarHBondContact CB-OD2 3.26Å; S253-D273 PolarHBondContact N-OD1 3.15Å; S253-D273 PolarHBondContact N-OD2 2.93Å; S253-D273 PolarHBondContact OG-OD2 3.33Å
254S96.1Very high94.6Very high25 Ų2575.4 Ų75.418%0.17538%0.379CS..Hα-helixtrans-62.8-45.4177.7-58.10000110.7F252 R256 A257 N260 D273 R276F252-S254 PolarHBondContact O-N 3.34Å; S254-R256 VanDerWaalsContact C-N 3.31Å; S254-R256 PolarHBondContact O-N 3.47Å; S254-A257 WeakPolarHBondContact O-CB 3.38Å; S254-A257 PolarHBondContact O-N 2.9Å; S254-N260 WeakPolarHBondContact O-CB 3.36Å; S254-N260 PolarHBondContact O-ND2 2.73Å; S254-D273 WeakPolarHBondContact CB-OD1 3.45Å; S254-D273 PolarHBondContact N-OD1 2.9Å; S254-D273 PolarHBondContact OG-OD1 3.41Å; S254-R276 PolarHBondContact OG-NE 3.13Å
255A96.6Very high94.7Very high0 Ų073.5 Ų73.50%036%0.362CS..Hα-helixtrans-68-28.2-179.800000113.8F252 S253 N264 L270 P271 Y288F252-A255 PolarHBondContact O-N 3.49Å; S253-A255 PolarHBondContact O-N 3.09Å; A255-N264 PolarHBondContact O-ND2 3.37Å; A255-L270 HydrophobicContact CB-CB 3.88Å; A255-L270 HydrophobicContact CB-CD1 4.17Å; A255-L270 HydrophobicContact CB-CD2 4.13Å; A255-L270 HydrophobicContact CB-CG 4.27Å; A255-P271 HydrophobicContact CB-CG 4.33Å; A255-Y288 VanDerWaalsContact CA-CE2 3.47Å; A255-Y288 HydrophobicContact CB-CE2 3.74Å; A255-Y288 VanDerWaalsContact CB-OH 3.24Å; A255-Y288 WeakPolarHBondContact CB-OH 3.39Å
256R96.3Very high94.8Very high151 Ų15172.1 Ų72.157%0.5736%0.357SS*.Hα-helixtrans-92.1-11.2-179.2-71.6177.5175.21750.1114.1F252 S253 S254 R261 L270F252-R256 HydrophobicContact CB-CG 4.32Å; F252-R256 WeakPolarHBondContact O-CB 3.34Å; F252-R256 VanDerWaalsContact O-CG 3.3Å; F252-R256 WeakPolarHBondContact O-CG 3.32Å; F252-R256 PolarHBondContact O-N 2.89Å; S253-R256 PolarHBondContact O-N 2.95Å; S254-R256 VanDerWaalsContact C-N 3.31Å; S254-R256 PolarHBondContact O-N 3.47Å; R256-R261 PolarHBondContact O-NE 3.45Å; R256-L270 HydrophobicContact CG-CD1 3.94Å
257A96.1Very high94.8Very high25 Ų2574.8 Ų74.821%0.20738%0.378CS..SBendtrans-51.6142.3174.500000110.3S253 S254 E259 N260 R261S253-A257 PolarHBondContact O-N 3.41Å; S254-A257 WeakPolarHBondContact O-CB 3.38Å; S254-A257 PolarHBondContact O-N 2.9Å; A257-E259 HydrophobicContact CB-CG 4.44Å; A257-E259 PolarHBondContact O-N 3.15Å; A257-N260 HydrophobicContact CB-CB 4.37Å; A257-N260 PolarHBondContact O-N 3.45Å; A257-R261 WeakPolarHBondContact O-CG 3.44Å; A257-R261 PolarHBondContact O-N 3.17Å
258R95.1Very high94.9Very high217 Ų21777 Ų7782%0.81939%0.389SS*.THydrogen-bonded Turntrans-57.8-41.4-167.4-177.2175.967.5171.41.7111.6N260R258-N260 VanDerWaalsContact C-N 3.31Å; R258-N260 PolarHBondContact O-N 3.47Å
259E93.8Very high95.3Very high118 Ų11873.1 Ų73.155%0.55136%0.364SS*.THydrogen-bonded Turntrans-68.8-21.4178.261.2-86.9-157.500114.2A257A257-E259 HydrophobicContact CB-CG 4.44Å; A257-E259 PolarHBondContact O-N 3.15Å
260N96.3Very high95.7Very high6 Ų665.5 Ų65.53%0.03232%0.323CS..THydrogen-bonded Turntrans-100.3-13.4-175.9-69-20.4000113.3S254 A257 R258 C262 R263 N264 N286 Y288S254-N260 WeakPolarHBondContact O-CB 3.36Å; S254-N260 PolarHBondContact O-ND2 2.73Å; A257-N260 HydrophobicContact CB-CB 4.37Å; A257-N260 PolarHBondContact O-N 3.45Å; R258-N260 VanDerWaalsContact C-N 3.31Å; R258-N260 PolarHBondContact O-N 3.47Å; N260-C262 VanDerWaalsContact C-N 3.28Å; N260-C262 PolarHBondContact O-N 2.91Å; N260-R263 WeakPolarHBondContact O-CB 3.28Å; N260-R263 PolarHBondContact O-N 2.9Å; N260-N264 PolarHBondContact O-ND2 3.16Å; N260-N286 PolarHBondContact OD1-ND2 3.07Å; N260-N286 PolarHBondContact OD1-OD1 3.25Å; N260-Y288 HydrophobicContact CB-CD1 3.65Å; N260-Y288 HydrophobicContact CB-CE1 4.01Å; N260-Y288 HydrophobicContact CB-CG 3.92Å; N260-Y288 VanDerWaalsContact CG-CB 3.48Å; N260-Y288 WeakPolarHBondContact ND2-CB 3.22Å; N260-Y288 WeakPolarHBondContact OD1-CB 3.44Å
261R95.2Very high95.9Very high167 Ų16763.8 Ų63.863%0.6331%0.312SS*.G310 helixtrans-57.9-39.2-179-69.7-179.8-170-177.61.4113R256 A257 R263 N264R256-R261 PolarHBondContact O-NE 3.45Å; A257-R261 WeakPolarHBondContact O-CG 3.44Å; A257-R261 PolarHBondContact O-N 3.17Å; R261-R263 PolarHBondContact O-N 3.5Å; R261-N264 PolarHBondContact O-N 3.04Å
262C95.3Very high96.1Very high80 Ų8061 Ų6154%0.54129%0.292SS..G310 helixtrans-73.5-7.4177.962.10000113.9N260 N316N260-C262 VanDerWaalsContact C-N 3.28Å; N260-C262 PolarHBondContact O-N 2.91Å; C262-N316 PolarHBondContact O-ND2 2.84Å
263R96.7Very high96.1Very high35 Ų3562 Ų6213%0.13230%0.299CS..G310 helixtrans-951.7175.3-58.1178.5-178.4-105.33.9112N260 R261 N286 Y288 Q311 T317 D320N260-R263 WeakPolarHBondContact O-CB 3.28Å; N260-R263 PolarHBondContact O-N 2.9Å; R261-R263 PolarHBondContact O-N 3.5Å; R263-N286 PolarHBondContact NE-ND2 2.95Å; R263-Y288 HydrophobicContact CB-CD1 3.92Å; R263-Y288 HydrophobicContact CB-CE1 3.95Å; R263-Q311 PolarHBondContact O-NE2 3.19Å; R263-T317 HydrophobicContact CB-CG2 3.85Å; R263-T317 HydrophobicContact CG-CG2 4.1Å; R263-D320 IonicContact CZ-OD2 2.68Å; R263-D320 IonicContact NH1-OD1 3.31Å; R263-D320 PolarHBondContact NH1-OD1 2.77Å; R263-D320 IonicContact NH1-OD2 2.65Å; R263-D320 PolarHBondContact NH1-OD2 3.47Å
264N97.4Very high96.2Very high20 Ų2065.1 Ų65.111%0.10730%0.3CS..  trans-103.1120.4177.2-63.7-42.5000110.5A255 N260 R261 Y266 L270 Y288 N290A255-N264 PolarHBondContact O-ND2 3.37Å; N260-N264 PolarHBondContact O-ND2 3.16Å; R261-N264 PolarHBondContact O-N 3.04Å; N264-Y266 VanDerWaalsContact C-N 3.26Å; N264-Y266 PolarHBondContact O-N 3.31Å; N264-L270 HydrophobicContact CB-CD2 4.13Å; N264-L270 WeakPolarHBondContact ND2-CD2 3.38Å; N264-Y288 WeakPolarHBondContact OD1-CE1 3.46Å; N264-Y288 PolarHBondContact OD1-OH 2.79Å; N264-N290 PolarHBondContact OD1-ND2 2.89Å
265R97.1Very high96.3Very high37 Ų3764.8 Ų64.814%0.1430%0.296CS..SBendtrans-63.3-36.2174.4-179.2172.4-75.5-80.5-0.4111.6G312 P313 L314 E345 K346R265-G312 PolarHBondContact NE-O 2.94Å; R265-P313 PolarHBondContact NH2-O 2.79Å; R265-L314 HydrophobicContact CB-CD2 3.99Å; R265-L314 HydrophobicContact CB-CG 4.34Å; R265-L314 HydrophobicContact CG-CD2 4.14Å; R265-E345 IonicContact CZ-OE1 2.83Å; R265-E345 PolarHBondContact NH1-O 2.98Å; R265-E345 IonicContact NH1-OE1 2.92Å; R265-E345 PolarHBondContact NH1-OE1 3.39Å; R265-E345 IonicContact NH2-OE1 3.81Å; R265-E345 PolarHBondContact NH2-OE1 3.08Å; R265-K346 PolarHBondContact NE-O 3.38Å
266Y95.4Very high96.3Very high79 Ų7966 Ų6631%0.3130%0.301SS..SBendtrans-128.7133.3176.8-60.1-73.7000110.9N264 N268 V269 S450 A451N264-Y266 VanDerWaalsContact C-N 3.26Å; N264-Y266 PolarHBondContact O-N 3.31Å; Y266-N268 PolarHBondContact O-N 2.8Å; Y266-V269 PolarHBondContact O-N 2.85Å; Y266-S450 WeakPolarHBondContact CE2-OG 3.39Å; Y266-S450 PolarHBondContact OH-OG 2.99Å; Y266-A451 HydrophobicContact CD2-CB 3.62Å; Y266-A451 HydrophobicContact CE2-CB 3.65Å
267T93.3Very high96.4Very high131 Ų13158.9 Ų58.980%0.80427%0.274SS*.THydrogen-bonded Turntrans-67.3-18.7-178.854.50000113.5
268N92.5Very high96.4Very high91 Ų9160.5 Ų60.549%0.48728%0.281SS..THydrogen-bonded Turntrans-113.213.7-177.269-24.3000113.7Y266 M490Y266-N268 PolarHBondContact O-N 2.8Å; N268-M490 WeakPolarHBondContact O-CE 3.44Å
269V96.9Very high96.5Very high6 Ų650.4 Ų50.44%0.03624%0.243CC..  trans-130.594.8174-174.90000108.6Y266 N290 A451 I453Y266-V269 PolarHBondContact O-N 2.85Å; V269-N290 PolarHBondContact O-ND2 3.4Å; V269-A451 HydrophobicContact CG1-CB 4.24Å; V269-A451 WeakPolarHBondContact CG1-O 3.47Å; V269-A451 HydrophobicContact CG2-CB 4.19Å; V269-I453 HydrophobicContact CB-CD1 4.43Å; V269-I453 HydrophobicContact CG1-CD1 3.83Å; V269-I453 HydrophobicContact CG1-CG1 4.11Å; V269-I453 HydrophobicContact CG1-CG2 3.59Å; V269-I453 HydrophobicContact CG2-CD1 3.69Å
270L97.5Very high96.3Very high9 Ų951 Ų515%0.04725%0.25CC..  trans-124.1148.9-171.1-54.3179.8000109.5F252 A255 R256 N264F252-L270 HydrophobicContact CB-CD1 4.24Å; F252-L270 HydrophobicContact CD1-CB 3.5Å; F252-L270 HydrophobicContact CD1-CD1 4.37Å; F252-L270 HydrophobicContact CE1-CB 3.91Å; F252-L270 WeakPolarHBondContact CE1-O 3.37Å; F252-L270 HydrophobicContact CG-CB 4.37Å; F252-L270 HydrophobicContact CG-CD1 4.47Å; A255-L270 HydrophobicContact CB-CB 3.88Å; A255-L270 HydrophobicContact CB-CD1 4.17Å; A255-L270 HydrophobicContact CB-CD2 4.13Å; A255-L270 HydrophobicContact CB-CG 4.27Å; R256-L270 HydrophobicContact CG-CD1 3.94Å; N264-L270 HydrophobicContact CB-CD2 4.13Å; N264-L270 WeakPolarHBondContact ND2-CD2 3.38Å
271P98.2Very high95.3Very high0 Ų056.4 Ų56.40%028%0.279CS..  trans-74.5147.3171.834.7-36000109.8F252 A255 R276 Y288 S292F252-P271 WeakPolarHBondContact CD1-O 3.19Å; A255-P271 HydrophobicContact CB-CG 4.33Å; P271-R276 HydrophobicContact CB-CB 3.97Å; P271-R276 HydrophobicContact CG-CB 4.23Å; P271-Y288 VanDerWaalsContact CD-OH 3.3Å; P271-Y288 WeakPolarHBondContact CD-OH 3.4Å; P271-Y288 HydrophobicContact CG-CE2 3.88Å; P271-S292 WeakPolarHBondContact CB-OG 3.42Å
272Y98.4Very high94.2Very high0 Ų049.2 Ų49.20%025%0.253CS..  trans-70142.3168.2-59.4-54.9000110.3Q246 T247 V250 F252 Y274 N275 R276 R486 S487 Q488 M490Q246-Y272 WeakPolarHBondContact CA-OH 3.5Å; Q246-Y272 HydrophobicContact CB-CE1 4.41Å; Q246-Y272 WeakPolarHBondContact CB-OH 3.27Å; T247-Y272 PolarHBondContact N-OH 3.05Å; V250-Y272 HydrophobicContact CB-CD1 3.76Å; V250-Y272 HydrophobicContact CB-CE1 4.01Å; V250-Y272 HydrophobicContact CB-CG 4.41Å; V250-Y272 HydrophobicContact CG1-CD1 3.36Å; V250-Y272 HydrophobicContact CG1-CE1 4.1Å; V250-Y272 HydrophobicContact CG1-CG 3.62Å; F252-Y272 HydrophobicContact CD1-CD1 4.23Å; F252-Y272 AromaticContact CE1-CD1 3.45Å; F252-Y272 HydrophobicContact CE1-CD1 3.45Å; F252-Y272 VanDerWaalsContact CE1-CD1 3.45Å; F252-Y272 AromaticContact CE1-CE1 3.66Å; F252-Y272 HydrophobicContact CE1-CE1 3.66Å; F252-Y272 HydrophobicContact CE1-CG 4.43Å; F252-Y272 HydrophobicContact CE2-CD1 4.14Å; F252-Y272 HydrophobicContact CE2-CE1 4.02Å; F252-Y272 AromaticContact CZ-CD1 3.44Å; F252-Y272 HydrophobicContact CZ-CD1 3.44Å; F252-Y272 VanDerWaalsContact CZ-CD1 3.44Å; F252-Y272 AromaticContact CZ-CE1 3.23Å; F252-Y272 HydrophobicContact CZ-CE1 3.23Å; Y272-Y274 AromaticContact CD2-CE1 3.85Å; Y272-Y274 HydrophobicContact CD2-CE1 3.85Å; Y272-Y274 HydrophobicContact CG-CD1 4.4Å; Y272-Y274 AromaticContact CG-CE1 3.95Å; Y272-Y274 HydrophobicContact CG-CE1 3.95Å; Y272-Y274 PolarHBondContact O-N 2.81Å; Y272-N275 PolarHBondContact O-OD1 2.86Å; Y272-R276 WeakPolarHBondContact O-CB 3.2Å; Y272-R276 PolarHBondContact O-N 3.32Å; Y272-R486 PolarHBondContact OH-O 3.39Å; Y272-R486 VanDerWaalsContact OH-O 3.09Å; Y272-S487 WeakPolarHBondContact CD2-O 3.41Å; Y272-S487 VanDerWaalsContact CE2-O 3.24Å; Y272-S487 WeakPolarHBondContact CE2-O 3.45Å; Y272-Q488 WeakPolarHBondContact CD2-O 3.36Å; Y272-M490 HydrophobicContact CE1-CB 4.49Å; Y272-M490 WeakPolarHBondContact OH-CB 3.21Å
273D98Very high92.7Very high33 Ų3348.8 Ų48.818%0.17625%0.251CS..THydrogen-bonded Turntrans-62.1-32.7-176.6-70.2-19000112.7S251 F252 S253 S254 N275S251-D273 WeakPolarHBondContact CB-OD2 3.37Å; S251-D273 PolarHBondContact O-N 2.97Å; S251-D273 PolarHBondContact OG-OD2 3.26Å; F252-D273 PolarHBondContact N-OD2 2.7Å; S253-D273 WeakPolarHBondContact CB-OD2 3.26Å; S253-D273 PolarHBondContact N-OD1 3.15Å; S253-D273 PolarHBondContact N-OD2 2.93Å; S253-D273 PolarHBondContact OG-OD2 3.33Å; S254-D273 WeakPolarHBondContact CB-OD1 3.45Å; S254-D273 PolarHBondContact N-OD1 2.9Å; S254-D273 PolarHBondContact OG-OD1 3.41Å; D273-N275 PolarHBondContact O-N 3.32Å
274Y97.6Very high91.4Very high137 Ų13750.3 Ų50.354%0.53727%0.271SS..THydrogen-bonded Turntrans-73.6-23.7-171.481.3-91.7000114.3V250 Y272 S487 Q488V250-Y274 HydrophobicContact CG1-CD1 3.73Å; V250-Y274 HydrophobicContact CG1-CE1 4Å; Y272-Y274 AromaticContact CD2-CE1 3.85Å; Y272-Y274 HydrophobicContact CD2-CE1 3.85Å; Y272-Y274 HydrophobicContact CG-CD1 4.4Å; Y272-Y274 AromaticContact CG-CE1 3.95Å; Y272-Y274 HydrophobicContact CG-CE1 3.95Å; Y272-Y274 PolarHBondContact O-N 2.81Å; Y274-S487 PolarHBondContact OH-O 3.31Å; Y274-Q488 WeakPolarHBondContact OH-CA 3.29Å
275N97.7Very high90.7Very high18 Ų1853 Ų5310%0.09630%0.303CS..THydrogen-bonded Turntrans-133.717.6-179.673.7-28.4000113.2Y272 D273 S292 F293 Q488Y272-N275 PolarHBondContact O-OD1 2.86Å; D273-N275 PolarHBondContact O-N 3.32Å; N275-S292 WeakPolarHBondContact O-CA 3.43Å; N275-F293 PolarHBondContact ND2-O 3.4Å; N275-F293 PolarHBondContact O-N 2.95Å; N275-Q488 PolarHBondContact ND2-O 3.32Å; N275-Q488 PolarHBondContact OD1-O 3.05Å
276R97.8Very high90.3Very high27 Ų2752.3 Ų52.310%0.10230%0.302CS..EExtended strand (participates in β ladder)trans-60.4152.1168.870.8178179.587.3-2.1109.7S254 P271 Y272 V278 D287 A291S254-R276 PolarHBondContact OG-NE 3.13Å; P271-R276 HydrophobicContact CB-CB 3.97Å; P271-R276 HydrophobicContact CG-CB 4.23Å; Y272-R276 WeakPolarHBondContact O-CB 3.2Å; Y272-R276 PolarHBondContact O-N 3.32Å; R276-V278 HydrophobicContact CG-CG2 4.24Å; R276-D287 IonicContact CZ-OD2 3.78Å; R276-D287 PolarHBondContact NH1-O 2.94Å; R276-D287 IonicContact NH1-OD1 3.54Å; R276-D287 IonicContact NH1-OD2 3.87Å; R276-D287 PolarHBondContact NH1-OD2 3.15Å; R276-D287 IonicContact NH2-OD1 3.72Å; R276-D287 IonicContact NH2-OD2 2.72Å; R276-D287 PolarHBondContact NH2-OD2 3.3Å; R276-A291 CarbonylContact C-O 3.53Å; R276-A291 VanDerWaalsContact CA-O 3.26Å; R276-A291 WeakPolarHBondContact CA-O 3.39Å
277V98.1Very high90.3Very high0 Ų051.4 Ų51.40%030%0.303CS..EExtended strand (participates in β ladder)trans-73132165.9-170.50000108.4V289 A291 F293 I308 M324 Q328V277-V289 HydrophobicContact CB-CG1 3.96Å; V277-V289 HydrophobicContact CG1-CG1 4.4Å; V277-A291 HydrophobicContact CB-CB 4.16Å; V277-A291 HydrophobicContact CG2-CB 3.8Å; V277-A291 PolarHBondContact N-O 2.65Å; V277-F293 HydrophobicContact CB-CE2 4.13Å; V277-F293 HydrophobicContact CB-CZ 4.28Å; V277-F293 HydrophobicContact CG1-CE2 4.15Å; V277-F293 HydrophobicContact CG1-CZ 3.91Å; V277-F293 HydrophobicContact CG2-CD1 4.36Å; V277-F293 HydrophobicContact CG2-CD2 4.04Å; V277-F293 HydrophobicContact CG2-CE1 4.13Å; V277-F293 HydrophobicContact CG2-CE2 3.8Å; V277-F293 HydrophobicContact CG2-CG 4.33Å; V277-F293 HydrophobicContact CG2-CZ 3.85Å; V277-I308 HydrophobicContact CG2-CD1 4.44Å; V277-I308 HydrophobicContact CG2-CG1 4.28Å; V277-I308 HydrophobicContact CG2-CG2 3.91Å; V277-M324 HydrophobicContact CB-CG 4.45Å; V277-M324 HydrophobicContact CB-SD 4.32Å; V277-M324 HydrophobicContact CG1-CG 3.87Å; V277-M324 HydrophobicContact CG1-SD 4.38Å; V277-M324 HydrophobicContact CG2-SD 4.19Å; V277-Q328 HydrophobicContact CG1-CG 4.29Å
278V97Very high90.5Very high59 Ų5945.1 Ų45.136%0.35826%0.264SS..EExtended strand (participates in β ladder)trans-108.4118.7179.3-175.70000107.3R276 D287R276-V278 HydrophobicContact CG-CG2 4.24Å; V278-D287 HydrophobicContact CG1-CB 3.92Å; V278-D287 WeakPolarHBondContact CG1-OD2 3.36Å
279L96Very high90.8Very high5 Ų541.2 Ų41.23%0.02624%0.244CC..  trans-78.6128.3177.1-58.3179.3000109.9N282 D287 V289 D320 Q323 M324 E327L279-N282 HydrophobicContact CB-CB 4.25Å; L279-N282 HydrophobicContact CD1-CB 4.35Å; L279-D287 PolarHBondContact N-O 3.39Å; L279-D287 WeakPolarHBondContact O-CA 3.46Å; L279-D287 WeakPolarHBondContact O-CB 3.3Å; L279-V289 HydrophobicContact CD1-CB 4.17Å; L279-V289 HydrophobicContact CD1-CG1 4.43Å; L279-V289 HydrophobicContact CD2-CG1 4.01Å; L279-V289 HydrophobicContact CG-CB 4.3Å; L279-V289 HydrophobicContact CG-CG1 4.01Å; L279-D320 HydrophobicContact CD1-CB 3.81Å; L279-Q323 HydrophobicContact CD1-CB 4.47Å; L279-Q323 HydrophobicContact CD2-CB 4.24Å; L279-Q323 HydrophobicContact CD2-CG 4.2Å; L279-M324 HydrophobicContact CD2-CB 3.84Å; L279-E327 WeakPolarHBondContact CA-OE2 3.27Å
280L89.6Confident90.8Very high131 Ų13141 Ų4169%0.68624%0.242SC*.SBendtrans-88.1-44.4-176.2-62.1176.6000112.2E327L280-E327 PolarHBondContact N-OE1 3Å; L280-E327 PolarHBondContact N-OE2 3.28Å
281N76.5Confident90.9Very high120 Ų12040.6 Ų40.664%0.64224%0.24SC*.SBendtrans-117.137.9-169.5-67.6-32.7000112.4S283 E327N281-S283 PolarHBondContact O-N 3.07Å; N281-E327 PolarHBondContact N-OE1 3.4Å
282N71Confident90.9Very high15 Ų1540.6 Ų40.68%0.0824%0.24CC..  trans-70124.4177.1-164.3-9.3000110.5L279 A284 G285 N286 D320 N361L279-N282 HydrophobicContact CB-CB 4.25Å; L279-N282 HydrophobicContact CD1-CB 4.35Å; N282-A284 PolarHBondContact O-N 3.23Å; N282-A284 VanDerWaalsContact O-N 3.08Å; N282-A284 PolarHBondContact OD1-N 3.01Å; N282-G285 PolarHBondContact O-N 3.5Å; N282-N286 WeakPolarHBondContact CB-O 3.44Å; N282-N286 PolarHBondContact ND2-O 3.48Å; N282-D320 PolarHBondContact ND2-OD1 3Å; N282-N361 PolarHBondContact OD1-ND2 2.83Å; N282-N361 VanDerWaalsContact OD1-ND2 3.1Å
283S63.8Low90.9Very high71 Ų7143.7 Ų43.750%0.49725%0.254SS..THydrogen-bonded Turntrans-58.7-25.4-179.8-58.60000113N281 G285N281-S283 PolarHBondContact O-N 3.07Å; S283-G285 VanDerWaalsContact C-N 3.29Å; S283-G285 PolarHBondContact O-N 3.43Å
284A70.6Confident90.9Very high67 Ų6742.1 Ų42.155%0.55425%0.245SC*.THydrogen-bonded Turntrans-80.5-2.6176.500000114.2N282 N286N282-A284 PolarHBondContact O-N 3.23Å; N282-A284 VanDerWaalsContact O-N 3.08Å; N282-A284 PolarHBondContact OD1-N 3.01Å; A284-N286 PolarHBondContact O-N 2.88Å
285G81Confident90.8Very high76 Ų7637.7 Ų37.778%0.78423%0.232SC*.SBendtrans67.911.6-176.200000114.6N282 S283N282-G285 PolarHBondContact O-N 3.5Å; S283-G285 VanDerWaalsContact C-N 3.29Å; S283-G285 PolarHBondContact O-N 3.43Å
286N89.7Confident90.6Very high24 Ų2437 Ų3713%0.12823%0.229CC..  trans-107121.6179.1-172.9-35.7000109.6N260 R263 N282 A284 Y288N260-N286 PolarHBondContact OD1-ND2 3.07Å; N260-N286 PolarHBondContact OD1-OD1 3.25Å; R263-N286 PolarHBondContact NE-ND2 2.95Å; N282-N286 WeakPolarHBondContact CB-O 3.44Å; N282-N286 PolarHBondContact ND2-O 3.48Å; A284-N286 PolarHBondContact O-N 2.88Å; N286-Y288 VanDerWaalsContact C-N 3.3Å; N286-Y288 PolarHBondContact O-N 2.9Å; N286-Y288 WeakPolarHBondContact OD1-CB 3.44Å; N286-Y288 PolarHBondContact OD1-N 3.43Å
287D95.4Very high90.2Very high59 Ų5941.9 Ų41.932%0.31625%0.248SC..  trans-86.62-17574.9-23.8000113.7R276 V278 L279R276-D287 IonicContact CZ-OD2 3.78Å; R276-D287 PolarHBondContact NH1-O 2.94Å; R276-D287 IonicContact NH1-OD1 3.54Å; R276-D287 IonicContact NH1-OD2 3.87Å; R276-D287 PolarHBondContact NH1-OD2 3.15Å; R276-D287 IonicContact NH2-OD1 3.72Å; R276-D287 IonicContact NH2-OD2 2.72Å; R276-D287 PolarHBondContact NH2-OD2 3.3Å; V278-D287 HydrophobicContact CG1-CB 3.92Å; V278-D287 WeakPolarHBondContact CG1-OD2 3.36Å; L279-D287 PolarHBondContact N-O 3.39Å; L279-D287 WeakPolarHBondContact O-CA 3.46Å; L279-D287 WeakPolarHBondContact O-CB 3.3Å
288Y97.5Very high89.6Confident0 Ų042 Ų420%025%0.248CC..EExtended strand (participates in β ladder)trans-91.8126.6-171-178.3-100.8000113A255 N260 R263 N264 P271 N286 N290A255-Y288 VanDerWaalsContact CA-CE2 3.47Å; A255-Y288 HydrophobicContact CB-CE2 3.74Å; A255-Y288 VanDerWaalsContact CB-OH 3.24Å; A255-Y288 WeakPolarHBondContact CB-OH 3.39Å; N260-Y288 HydrophobicContact CB-CD1 3.65Å; N260-Y288 HydrophobicContact CB-CE1 4.01Å; N260-Y288 HydrophobicContact CB-CG 3.92Å; N260-Y288 VanDerWaalsContact CG-CB 3.48Å; N260-Y288 WeakPolarHBondContact ND2-CB 3.22Å; N260-Y288 WeakPolarHBondContact OD1-CB 3.44Å; R263-Y288 HydrophobicContact CB-CD1 3.92Å; R263-Y288 HydrophobicContact CB-CE1 3.95Å; N264-Y288 WeakPolarHBondContact OD1-CE1 3.46Å; N264-Y288 PolarHBondContact OD1-OH 2.79Å; P271-Y288 VanDerWaalsContact CD-OH 3.3Å; P271-Y288 WeakPolarHBondContact CD-OH 3.4Å; P271-Y288 HydrophobicContact CG-CE2 3.88Å; N286-Y288 VanDerWaalsContact C-N 3.3Å; N286-Y288 PolarHBondContact O-N 2.9Å; N286-Y288 WeakPolarHBondContact OD1-CB 3.44Å; N286-Y288 PolarHBondContact OD1-N 3.43Å; Y288-N290 HydrophobicContact CE1-CB 4.39Å
289V97.7Very high88.9Confident9 Ų943.4 Ų43.46%0.05526%0.259CS..EExtended strand (participates in β ladder)trans-133.4141.416260.30000108.4V277 L279 A291 D320 M324V277-V289 HydrophobicContact CB-CG1 3.96Å; V277-V289 HydrophobicContact CG1-CG1 4.4Å; L279-V289 HydrophobicContact CD1-CB 4.17Å; L279-V289 HydrophobicContact CD1-CG1 4.43Å; L279-V289 HydrophobicContact CD2-CG1 4.01Å; L279-V289 HydrophobicContact CG-CB 4.3Å; L279-V289 HydrophobicContact CG-CG1 4.01Å; V289-A291 HydrophobicContact CG1-CB 4.11Å; V289-A291 HydrophobicContact CG2-CB 4.31Å; V289-A291 PolarHBondContact O-N 2.68Å; V289-D320 HydrophobicContact CB-CB 4.35Å; V289-D320 HydrophobicContact CG2-CB 4.24Å; V289-M324 HydrophobicContact CG1-SD 4.2Å; V289-M324 HydrophobicContact CG2-SD 4.36Å
290N98.4Very high88.2Confident1 Ų149.2 Ų49.21%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-77.370.8176.8-172.1-34.3000110.8N264 V269 Y288 T310 Q311 R489N264-N290 PolarHBondContact OD1-ND2 2.89Å; V269-N290 PolarHBondContact O-ND2 3.4Å; Y288-N290 HydrophobicContact CE1-CB 4.39Å; N290-T310 PolarHBondContact O-OG1 3.4Å; N290-Q311 HydrophobicContact CB-CG 4.03Å; N290-Q311 PolarHBondContact ND2-OE1 2.91Å; N290-Q311 PolarHBondContact O-N 3.26Å; N290-R489 PolarHBondContact OD1-NH1 3.05Å; N290-R489 PolarHBondContact OD1-NH2 3.1Å
291A98.7Very high87.6Confident0 Ų046 Ų460%027%0.271CS..EExtended strand (participates in β ladder)trans-140.3150.5179.700000110.2R276 V277 V289 I308 A309 M324R276-A291 CarbonylContact C-O 3.53Å; R276-A291 VanDerWaalsContact CA-O 3.26Å; R276-A291 WeakPolarHBondContact CA-O 3.39Å; V277-A291 HydrophobicContact CB-CB 4.16Å; V277-A291 HydrophobicContact CG2-CB 3.8Å; V277-A291 PolarHBondContact N-O 2.65Å; V289-A291 HydrophobicContact CG1-CB 4.11Å; V289-A291 HydrophobicContact CG2-CB 4.31Å; V289-A291 PolarHBondContact O-N 2.68Å; A291-I308 HydrophobicContact CB-CG2 3.9Å; A291-A309 CarbonylContact C-O 3.52Å; A291-A309 WeakPolarHBondContact CA-O 3.27Å; A291-M324 HydrophobicContact CB-SD 3.43Å; A291-M324 WeakPolarHBondContact CB-SD 3.31Å
292S98.6Very high87.9Confident0 Ų045.9 Ų45.90%027%0.271CS..EExtended strand (participates in β ladder)trans-131.1138.4178.7-53.60000110.1P271 N275 V294 I308 A309 R489P271-S292 WeakPolarHBondContact CB-OG 3.42Å; N275-S292 WeakPolarHBondContact O-CA 3.43Å; S292-V294 PolarHBondContact O-N 2.94Å; S292-I308 WeakPolarHBondContact O-CA 3.4Å; S292-A309 PolarHBondContact N-O 2.88Å; S292-A309 PolarHBondContact O-N 3.39Å; S292-R489 PolarHBondContact OG-NH1 2.81Å; S292-R489 VanDerWaalsContact OG-NH1 3.14Å
293F98.3Very high88.4Confident66 Ų6648.6 Ų48.629%0.28928%0.283SS..EExtended strand (participates in β ladder)trans-68.6127.8164.2-65.8-73.5000109.1N275 V277 I308 Q328N275-F293 PolarHBondContact ND2-O 3.4Å; N275-F293 PolarHBondContact O-N 2.95Å; V277-F293 HydrophobicContact CB-CE2 4.13Å; V277-F293 HydrophobicContact CB-CZ 4.28Å; V277-F293 HydrophobicContact CG1-CE2 4.15Å; V277-F293 HydrophobicContact CG1-CZ 3.91Å; V277-F293 HydrophobicContact CG2-CD1 4.36Å; V277-F293 HydrophobicContact CG2-CD2 4.04Å; V277-F293 HydrophobicContact CG2-CE1 4.13Å; V277-F293 HydrophobicContact CG2-CE2 3.8Å; V277-F293 HydrophobicContact CG2-CG 4.33Å; V277-F293 HydrophobicContact CG2-CZ 3.85Å; F293-I308 HydrophobicContact CD1-CD1 4.43Å; F293-I308 HydrophobicContact CD1-CG1 3.84Å; F293-I308 HydrophobicContact CE1-CD1 3.99Å; F293-I308 HydrophobicContact CE1-CG1 3.91Å; F293-Q328 HydrophobicContact CE1-CG 4.43Å; F293-Q328 HydrophobicContact CZ-CG 4.43Å
294V97.8Very high89.6Confident0 Ų048.6 Ų48.60%028%0.275CS..EExtended strand (participates in β ladder)trans-125.8118.6178.6178.30000107.9S292 W307 A309 I460 L485 Q488 R489S292-V294 PolarHBondContact O-N 2.94Å; V294-W307 PolarHBondContact N-O 3Å; V294-W307 PolarHBondContact O-N 3.04Å; V294-A309 HydrophobicContact CG2-CB 3.75Å; V294-I460 HydrophobicContact CB-CD1 4.37Å; V294-I460 HydrophobicContact CG1-CD1 4.08Å; V294-I460 HydrophobicContact CG1-CG2 4.48Å; V294-L485 HydrophobicContact CG1-CD2 3.55Å; V294-Q488 HydrophobicContact CG2-CB 4.4Å; V294-R489 HydrophobicContact CG2-CB 4.29Å
295T95.5Very high90.5Very high43 Ų4346.1 Ų46.126%0.26425%0.252SS..EExtended strand (participates in β ladder)trans-116133.9178.3-61.60000109.6E304 M305 H306 Q488T295-E304 HydrophobicContact CG2-CB 4.4Å; T295-M305 VanDerWaalsContact CA-O 3.31Å; T295-M305 WeakPolarHBondContact CA-O 3.44Å; T295-H306 WeakPolarHBondContact CG2-ND1 3.5Å; T295-H306 PolarHBondContact OG1-ND1 2.96Å; T295-Q488 PolarHBondContact O-NE2 2.84Å; T295-Q488 PolarHBondContact O-OE1 3.33Å
296V93.7Very high91.1Very high5 Ų544.5 Ų44.53%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-115.5119.7166.9-179.90000107.9M305 W307 I460 A464 L481 L485V296-M305 HydrophobicContact CB-CE 4.26Å; V296-M305 HydrophobicContact CG1-CE 4.17Å; V296-M305 PolarHBondContact N-O 3.31Å; V296-M305 PolarHBondContact O-N 3.28Å; V296-W307 HydrophobicContact CB-CH2 4.37Å; V296-W307 HydrophobicContact CB-CZ3 3.79Å; V296-W307 HydrophobicContact CG2-CH2 4.38Å; V296-W307 HydrophobicContact CG2-CZ3 3.67Å; V296-I460 HydrophobicContact CG2-CG2 4.09Å; V296-A464 HydrophobicContact CB-CB 4.39Å; V296-A464 HydrophobicContact CG1-CB 3.86Å; V296-A464 HydrophobicContact CG2-CB 4.45Å; V296-L481 HydrophobicContact CG1-CD2 3.93Å; V296-L485 HydrophobicContact CG2-CD2 3.78Å
297R90.1Very high91.5Very high129 Ų12943.5 Ų43.549%0.48722%0.218SC..EExtended strand (participates in β ladder)trans-97.5138.7173.7-173.5172.2-168.9148.2-2.9109.8P299 D302 E303 E304R297-P299 HydrophobicContact CG-CG 4.33Å; R297-P299 WeakPolarHBondContact O-CD 3.25Å; R297-D302 IonicContact CZ-OD1 3.45Å; R297-D302 IonicContact NH2-OD1 3.71Å; R297-D302 PolarHBondContact NH2-OD1 3.4Å; R297-E303 WeakPolarHBondContact CA-O 3.39Å; R297-E304 HydrophobicContact CB-CG 3.97Å; R297-E304 VanDerWaalsContact CD-OE1 3.28Å; R297-E304 WeakPolarHBondContact CD-OE1 3.24Å; R297-E304 HydrophobicContact CG-CG 3.71Å; R297-E304 IonicContact CZ-OE1 3.81Å; R297-E304 VanDerWaalsContact CZ-OE1 3.27Å; R297-E304 IonicContact NE-OE1 3.48Å; R297-E304 PolarHBondContact NE-OE1 2.92Å; R297-E304 IonicContact NH1-OE1 2.63Å; R297-E304 PolarHBondContact NH1-OE1 3.11Å
298I84.5Confident91.6Very high3 Ų340.7 Ų40.72%0.01520%0.203CC..EExtended strand (participates in β ladder)trans-113.489.8169.1-54.6176.3000107E300 V301 D302 E303 M305 R467 M468 L473I298-E300 PolarHBondContact O-N 3.06Å; I298-V301 HydrophobicContact CB-CG2 3.97Å; I298-V301 HydrophobicContact CG2-CG2 3.67Å; I298-V301 PolarHBondContact O-N 3.29Å; I298-D302 PolarHBondContact O-N 2.99Å; I298-D302 VanDerWaalsContact O-N 3.17Å; I298-E303 PolarHBondContact N-O 3.04Å; I298-E303 PolarHBondContact O-N 3.33Å; I298-M305 HydrophobicContact CD1-CE 3.53Å; I298-M305 HydrophobicContact CG1-CE 3.89Å; I298-R467 HydrophobicContact CD1-CB 3.71Å; I298-M468 HydrophobicContact CD1-CG 3.61Å; I298-M468 HydrophobicContact CG1-CG 4.03Å; I298-M468 HydrophobicContact CG2-CG 4.28Å; I298-L473 HydrophobicContact CG2-CD1 3.4Å; I298-L473 VanDerWaalsContact CG2-CD1 3.4Å
299P82.8Confident91.7Very high88 Ų8840.7 Ų40.757%0.57120%0.203SC*.G310 helixtrans-58.1-31.8-172.7-25.234.8000114R297 V301 D302R297-P299 HydrophobicContact CG-CG 4.33Å; R297-P299 WeakPolarHBondContact O-CD 3.25Å; P299-V301 PolarHBondContact O-N 2.9Å; P299-D302 PolarHBondContact O-N 3.48Å
300E80.5Confident91.8Very high126 Ų12640.4 Ų40.459%0.58920%0.202SC*.G310 helixtrans-65-22.7-176.3-63.887.4166.300113.6I298 L473I298-E300 PolarHBondContact O-N 3.06Å; E300-L473 HydrophobicContact CB-CD1 4.08Å; E300-L473 HydrophobicContact CB-CD2 3.5Å; E300-L473 VanDerWaalsContact CB-CD2 3.5Å; E300-L473 HydrophobicContact CB-CG 4.46Å; E300-L473 HydrophobicContact CG-CD1 4.26Å; E300-L473 HydrophobicContact CG-CD2 3.94Å
301V78.6Confident91.8Very high65 Ų6540.6 Ų40.639%0.39420%0.202SC..G310 helixtrans-123.611.3176.7-670000113.1I298 P299 E303 A471I298-V301 HydrophobicContact CB-CG2 3.97Å; I298-V301 HydrophobicContact CG2-CG2 3.67Å; I298-V301 PolarHBondContact O-N 3.29Å; P299-V301 PolarHBondContact O-N 2.9Å; V301-E303 HydrophobicContact CG2-CB 3.81Å; V301-E303 PolarHBondContact O-N 3.38Å; V301-E303 VanDerWaalsContact O-N 3.16Å; V301-A471 HydrophobicContact CB-CB 4.38Å; V301-A471 HydrophobicContact CG1-CB 3.59Å; V301-A471 HydrophobicContact CG2-CB 3.94Å
302D81.9Confident91.7Very high117 Ų11740.6 Ų40.663%0.62620%0.202SC*.THydrogen-bonded Turntrans47.538.6-176-158.234.2000113.9R297 I298 P299R297-D302 IonicContact CZ-OD1 3.45Å; R297-D302 IonicContact NH2-OD1 3.71Å; R297-D302 PolarHBondContact NH2-OD1 3.4Å; I298-D302 PolarHBondContact O-N 2.99Å; I298-D302 VanDerWaalsContact O-N 3.17Å; P299-D302 PolarHBondContact O-N 3.48Å
303E82.3Confident91.7Very high72 Ų7240.7 Ų40.734%0.33620%0.203SC..EExtended strand (participates in β ladder)trans-102.1133.6179.4-168.1-179.6161.100109.8R297 I298 V301R297-E303 WeakPolarHBondContact CA-O 3.39Å; I298-E303 PolarHBondContact N-O 3.04Å; I298-E303 PolarHBondContact O-N 3.33Å; V301-E303 HydrophobicContact CG2-CB 3.81Å; V301-E303 PolarHBondContact O-N 3.38Å; V301-E303 VanDerWaalsContact O-N 3.16Å
304E87.8Confident91.7Very high70 Ų7038.7 Ų38.733%0.32720%0.195SC..EExtended strand (participates in β ladder)trans-121127.3171.7-71.6-171.1177.400109.6T295 R297 H306T295-E304 HydrophobicContact CG2-CB 4.4Å; R297-E304 HydrophobicContact CB-CG 3.97Å; R297-E304 VanDerWaalsContact CD-OE1 3.28Å; R297-E304 WeakPolarHBondContact CD-OE1 3.24Å; R297-E304 HydrophobicContact CG-CG 3.71Å; R297-E304 IonicContact CZ-OE1 3.81Å; R297-E304 VanDerWaalsContact CZ-OE1 3.27Å; R297-E304 IonicContact NE-OE1 3.48Å; R297-E304 PolarHBondContact NE-OE1 2.92Å; R297-E304 IonicContact NH1-OE1 2.63Å; R297-E304 PolarHBondContact NH1-OE1 3.11Å; E304-H306 IonicContact OE2-CE1 3.8Å; E304-H306 PolarHBondContact OE2-CE1 3.44Å; E304-H306 IonicContact OE2-NE2 2.9Å
305M90.2Very high91.7Very high16 Ų1645.6 Ų45.68%0.07923%0.228CC..EExtended strand (participates in β ladder)trans-107.5131174.1-66165.4-85.100109.7T295 V296 I298 W307 F463 A464 R467T295-M305 VanDerWaalsContact CA-O 3.31Å; T295-M305 WeakPolarHBondContact CA-O 3.44Å; V296-M305 HydrophobicContact CB-CE 4.26Å; V296-M305 HydrophobicContact CG1-CE 4.17Å; V296-M305 PolarHBondContact N-O 3.31Å; V296-M305 PolarHBondContact O-N 3.28Å; I298-M305 HydrophobicContact CD1-CE 3.53Å; I298-M305 HydrophobicContact CG1-CE 3.89Å; M305-W307 HydrophobicContact CB-CE3 4.19Å; M305-W307 HydrophobicContact CB-CH2 3.22Å; M305-W307 HydrophobicContact CB-CZ2 3.86Å; M305-W307 HydrophobicContact CB-CZ3 3.38Å; M305-W307 HydrophobicContact CE-CH2 4.26Å; M305-W307 HydrophobicContact CG-CH2 3.97Å; M305-W307 HydrophobicContact CG-CZ2 4.46Å; M305-W307 WeakPolarHBondContact O-CZ3 3.47Å; M305-W307 HydrophobicContact SD-CH2 3.51Å; M305-W307 VanDerWaalsContact SD-CH2 3.51Å; M305-W307 HydrophobicContact SD-CZ2 4.04Å; M305-W307 HydrophobicContact SD-CZ3 4.46Å; M305-F463 HydrophobicContact SD-CD1 3.77Å; M305-F463 HydrophobicContact SD-CE1 3.98Å; M305-A464 HydrophobicContact CE-CB 4.12Å; M305-R467 HydrophobicContact CE-CB 4.16Å; M305-R467 HydrophobicContact CE-CG 4.08Å; M305-R467 HydrophobicContact SD-CB 4.14Å; M305-R467 HydrophobicContact SD-CG 3.4Å; M305-R467 WeakPolarHBondContact SD-CG 3.35Å
306H93.7Very high91.7Very high41 Ų4147.8 Ų47.819%0.1924%0.238CC..EExtended strand (participates in β ladder)trans-114.3130.9-176.2-55.8-63.1000111.8T295 E304 P444 T445T295-H306 WeakPolarHBondContact CG2-ND1 3.5Å; T295-H306 PolarHBondContact OG1-ND1 2.96Å; E304-H306 IonicContact OE2-CE1 3.8Å; E304-H306 PolarHBondContact OE2-CE1 3.44Å; E304-H306 IonicContact OE2-NE2 2.9Å; H306-P444 HydrophobicContact CB-CB 4.32Å; H306-P444 WeakPolarHBondContact O-CA 3.47Å; H306-T445 PolarHBondContact O-N 2.89Å
307W97.3Very high91.8Very high3 Ų347.9 Ų47.91%0.01124%0.238CC..EExtended strand (participates in β ladder)trans-130.6158.6173.8-62.9-86.6000111.3V294 V296 M305 T445 V447 Y459 I460 F463V294-W307 PolarHBondContact N-O 3Å; V294-W307 PolarHBondContact O-N 3.04Å; V296-W307 HydrophobicContact CB-CH2 4.37Å; V296-W307 HydrophobicContact CB-CZ3 3.79Å; V296-W307 HydrophobicContact CG2-CH2 4.38Å; V296-W307 HydrophobicContact CG2-CZ3 3.67Å; M305-W307 HydrophobicContact CB-CE3 4.19Å; M305-W307 HydrophobicContact CB-CH2 3.22Å; M305-W307 HydrophobicContact CB-CZ2 3.86Å; M305-W307 HydrophobicContact CB-CZ3 3.38Å; M305-W307 HydrophobicContact CE-CH2 4.26Å; M305-W307 HydrophobicContact CG-CH2 3.97Å; M305-W307 HydrophobicContact CG-CZ2 4.46Å; M305-W307 WeakPolarHBondContact O-CZ3 3.47Å; M305-W307 HydrophobicContact SD-CH2 3.51Å; M305-W307 VanDerWaalsContact SD-CH2 3.51Å; M305-W307 HydrophobicContact SD-CZ2 4.04Å; M305-W307 HydrophobicContact SD-CZ3 4.46Å; W307-T445 VanDerWaalsContact CA-O 3.26Å; W307-T445 WeakPolarHBondContact CA-O 3.31Å; W307-T445 WeakPolarHBondContact CB-O 3.48Å; W307-V447 HydrophobicContact CG-CG2 4.31Å; W307-Y459 AromaticContact NE1-CE1 3.75Å; W307-I460 HydrophobicContact CB-CD1 3.91Å; W307-I460 HydrophobicContact CD2-CD1 4.18Å; W307-I460 HydrophobicContact CD2-CG1 4.1Å; W307-I460 HydrophobicContact CD2-CG2 4.11Å; W307-I460 HydrophobicContact CE3-CD1 4.46Å; W307-I460 HydrophobicContact CE3-CG2 3.76Å; W307-I460 HydrophobicContact CG-CD1 3.96Å; W307-I460 HydrophobicContact CG-CG1 4.12Å; W307-I460 HydrophobicContact CH2-CG2 3.97Å; W307-I460 HydrophobicContact CZ2-CG2 4.35Å; W307-I460 HydrophobicContact CZ3-CG2 3.7Å; W307-F463 HydrophobicContact CH2-CD1 4.38Å; W307-F463 HydrophobicContact CZ2-CB 4.22Å; W307-F463 AromaticContact CZ2-CD1 3.73Å; W307-F463 HydrophobicContact CZ2-CD1 3.73Å; W307-F463 HydrophobicContact CZ2-CE1 4.44Å; W307-F463 HydrophobicContact CZ2-CG 4.14Å
308I98.6Very high92.2Very high0 Ų041.8 Ų41.80%022%0.215CC..EExtended strand (participates in β ladder)trans-110.4112.1160.5-67.5167.7000107.2V277 A291 S292 F293 M324 Q328 V330 P444 T445 V446 V447V277-I308 HydrophobicContact CG2-CD1 4.44Å; V277-I308 HydrophobicContact CG2-CG1 4.28Å; V277-I308 HydrophobicContact CG2-CG2 3.91Å; A291-I308 HydrophobicContact CB-CG2 3.9Å; S292-I308 WeakPolarHBondContact O-CA 3.4Å; F293-I308 HydrophobicContact CD1-CD1 4.43Å; F293-I308 HydrophobicContact CD1-CG1 3.84Å; F293-I308 HydrophobicContact CE1-CD1 3.99Å; F293-I308 HydrophobicContact CE1-CG1 3.91Å; I308-M324 HydrophobicContact CD1-CG 4.45Å; I308-M324 HydrophobicContact CG2-CE 3.97Å; I308-M324 HydrophobicContact CG2-SD 3.61Å; I308-Q328 HydrophobicContact CD1-CB 3.77Å; I308-Q328 HydrophobicContact CD1-CG 3.73Å; I308-V330 HydrophobicContact CD1-CG2 4.2Å; I308-P444 HydrophobicContact CD1-CB 4.2Å; I308-P444 HydrophobicContact CD1-CG 3.67Å; I308-P444 HydrophobicContact CG1-CB 4.02Å; I308-P444 HydrophobicContact CG1-CG 4.03Å; I308-T445 PolarHBondContact N-O 3.37Å; I308-V446 HydrophobicContact CB-CG2 3.94Å; I308-V446 HydrophobicContact CD1-CG2 4.24Å; I308-V446 HydrophobicContact CG2-CG2 4.24Å; I308-V446 CarbonylContact O-C 3.59Å; I308-V446 WeakPolarHBondContact O-CA 3.43Å; I308-V447 PolarHBondContact O-N 3.24Å
309A98.8Very high92.7Very high0 Ų042 Ų420%022%0.219CC..EExtended strand (participates in β ladder)trans-92.5120.2174.100000109.5A291 S292 V294 V447 T456 I460 R489A291-A309 CarbonylContact C-O 3.52Å; A291-A309 WeakPolarHBondContact CA-O 3.27Å; S292-A309 PolarHBondContact N-O 2.88Å; S292-A309 PolarHBondContact O-N 3.39Å; V294-A309 HydrophobicContact CG2-CB 3.75Å; A309-V447 WeakPolarHBondContact CA-O 3.26Å; A309-T456 HydrophobicContact CB-CG2 3.8Å; A309-I460 HydrophobicContact CB-CD1 4.46Å; A309-R489 PolarHBondContact O-NH1 2.95Å
310T98.8Very high93.4Very high3 Ų338.1 Ų38.12%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-135.8160-174-171.50000112.3N290 F321 M324 V446 V447 H448 G452N290-T310 PolarHBondContact O-OG1 3.4Å; T310-F321 HydrophobicContact CG2-CD2 4.35Å; T310-F321 HydrophobicContact CG2-CE2 3.97Å; T310-M324 HydrophobicContact CG2-CE 4.19Å; T310-V446 HydrophobicContact CG2-CG1 3.91Å; T310-V447 PolarHBondContact N-O 2.88Å; T310-H448 HydrophobicContact CG2-CB 3.68Å; T310-H448 WeakPolarHBondContact O-CA 3.42Å; T310-H448 WeakPolarHBondContact O-CB 3.32Å; T310-G452 WeakPolarHBondContact O-CA 3.48Å
311Q98.5Very high94.2Very high5 Ų532.3 Ų32.32%0.02317%0.166CC..PPolyproline II helixtrans-67.9160.6170.370.3-178.311.600111.2R263 N290 P313R263-Q311 PolarHBondContact O-NE2 3.19Å; N290-Q311 HydrophobicContact CB-CG 4.03Å; N290-Q311 PolarHBondContact ND2-OE1 2.91Å; N290-Q311 PolarHBondContact O-N 3.26Å; Q311-P313 WeakPolarHBondContact O-CD 3.49Å
312G98.3Very high95.2Very high0 Ų029.2 Ų29.20%015%0.147CC..PPolyproline II helixtrans-62.4123.8164.700000109.3R265 C449 S450R265-G312 PolarHBondContact NE-O 2.94Å; G312-C449 VanDerWaalsContact CA-O 3.26Å; G312-C449 WeakPolarHBondContact CA-O 3.28Å; G312-C449 PolarHBondContact N-O 3.11Å; G312-C449 VanDerWaalsContact N-O 3.14Å; G312-S450 PolarHBondContact N-O 2.7Å
313P98.4Very high95.8Very high2 Ų223.9 Ų23.91%0.01312%0.119CC..PPolyproline II helixtrans-51.5143.9-177.6-32.639000113R265 Q311 F321 F348 Y350R265-P313 PolarHBondContact NH2-O 2.79Å; Q311-P313 WeakPolarHBondContact O-CD 3.49Å; P313-F321 HydrophobicContact CB-CB 4.42Å; P313-F321 HydrophobicContact CG-CB 3.91Å; P313-F321 HydrophobicContact CG-CD1 4.3Å; P313-F321 HydrophobicContact CG-CD2 3.44Å; P313-F321 VanDerWaalsContact CG-CD2 3.44Å; P313-F321 HydrophobicContact CG-CE2 3.98Å; P313-F321 HydrophobicContact CG-CG 3.62Å; P313-F348 VanDerWaalsContact O-CB 3.23Å; P313-F348 WeakPolarHBondContact O-CB 3.38Å; P313-F348 PolarHBondContact O-N 3.5Å; P313-Y350 HydrophobicContact CB-CD1 4.07Å; P313-Y350 HydrophobicContact CB-CG 4.3Å; P313-Y350 HydrophobicContact CG-CD1 3.52Å; P313-Y350 HydrophobicContact CG-CE1 4.08Å; P313-Y350 HydrophobicContact CG-CG 3.87Å
314L97.8Very high96.5Very high25 Ų2520.5 Ų20.513%0.13110%0.103CC..PPolyproline II helixtrans-90.4162.4166.1-60.2165.4000108.5R265 N316 T317 V318R265-L314 HydrophobicContact CB-CD2 3.99Å; R265-L314 HydrophobicContact CB-CG 4.34Å; R265-L314 HydrophobicContact CG-CD2 4.14Å; L314-N316 WeakPolarHBondContact CB-OD1 3.43Å; L314-N316 PolarHBondContact O-N 3.02Å; L314-T317 HydrophobicContact CB-CG2 4.15Å; L314-T317 HydrophobicContact CD1-CG2 4.18Å; L314-T317 PolarHBondContact N-OG1 2.84Å; L314-T317 PolarHBondContact O-N 2.58Å; L314-T317 PolarHBondContact O-OG1 2.51Å; L314-V318 WeakPolarHBondContact O-CG2 3.4Å; L314-V318 PolarHBondContact O-N 2.68Å
315E97.2Very high97Very high145 Ų14517.1 Ų17.168%0.6789%0.087SC*.G310 helixtrans-51.5-45.6174.7-176.9173.8-16000112T317 F348E315-T317 VanDerWaalsContact C-N 3.27Å; E315-T317 PolarHBondContact O-N 2.72Å; E315-F348 HydrophobicContact CB-CD1 4.39Å; E315-F348 HydrophobicContact CB-CD2 3.8Å; E315-F348 HydrophobicContact CB-CE1 4.36Å; E315-F348 HydrophobicContact CB-CE2 3.76Å; E315-F348 HydrophobicContact CB-CG 4.11Å; E315-F348 HydrophobicContact CB-CZ 4.05Å; E315-F348 HydrophobicContact CG-CD2 4.39Å; E315-F348 HydrophobicContact CG-CE1 4.27Å; E315-F348 HydrophobicContact CG-CE2 3.84Å; E315-F348 HydrophobicContact CG-CZ 3.77Å
316N95.5Very high97.3Very high89 Ų8918.6 Ų18.648%0.4769%0.092SC..G310 helixtrans-78.7-1.8179.767.1-47.7000114.7C262 L314C262-N316 PolarHBondContact O-ND2 2.84Å; L314-N316 WeakPolarHBondContact CB-OD1 3.43Å; L314-N316 PolarHBondContact O-N 3.02Å
317T96.5Very high97.3Very high6 Ų618.3 Ų18.34%0.0379%0.091CC..G310 helixtrans-120.710.818073.40000113R263 L314 E315 G319 D320 F321R263-T317 HydrophobicContact CB-CG2 3.85Å; R263-T317 HydrophobicContact CG-CG2 4.1Å; L314-T317 HydrophobicContact CB-CG2 4.15Å; L314-T317 HydrophobicContact CD1-CG2 4.18Å; L314-T317 PolarHBondContact N-OG1 2.84Å; L314-T317 PolarHBondContact O-N 2.58Å; L314-T317 PolarHBondContact O-OG1 2.51Å; E315-T317 VanDerWaalsContact C-N 3.27Å; E315-T317 PolarHBondContact O-N 2.72Å; T317-G319 VanDerWaalsContact C-N 3.33Å; T317-G319 PolarHBondContact O-N 2.95Å; T317-D320 PolarHBondContact O-N 2.87Å; T317-F321 PolarHBondContact O-N 2.87Å
318V97.8Very high97.2Very high1 Ų120.5 Ų20.51%0.00610%0.101CC..Hα-helixtrans-61.3-43.2177176.40000111L314 D320 F321 W322 F348 W360L314-V318 WeakPolarHBondContact O-CG2 3.4Å; L314-V318 PolarHBondContact O-N 2.68Å; V318-D320 PolarHBondContact O-N 2.87Å; V318-F321 WeakPolarHBondContact O-CB 3.38Å; V318-F321 PolarHBondContact O-N 3.36Å; V318-W322 PolarHBondContact O-N 2.98Å; V318-W322 VanDerWaalsContact O-N 3.08Å; V318-F348 HydrophobicContact CG2-CD1 3.57Å; V318-F348 HydrophobicContact CG2-CE1 3.96Å; V318-W360 HydrophobicContact CG1-CD2 3.68Å; V318-W360 HydrophobicContact CG1-CE3 4.16Å; V318-W360 HydrophobicContact CG1-CG 4.09Å; V318-W360 HydrophobicContact CG1-CH2 4.08Å; V318-W360 HydrophobicContact CG1-CZ2 3.62Å; V318-W360 HydrophobicContact CG1-CZ3 4.35Å
319G96.2Very high96.9Very high9 Ų925.6 Ų25.69%0.09312%0.12CC..Hα-helixtrans-63.1-40.1176.500000113.3T317 F321 W322 Q323 N361T317-G319 VanDerWaalsContact C-N 3.33Å; T317-G319 PolarHBondContact O-N 2.95Å; G319-F321 VanDerWaalsContact C-N 3.31Å; G319-F321 PolarHBondContact O-N 2.84Å; G319-W322 PolarHBondContact O-N 2.9Å; G319-Q323 VanDerWaalsContact O-CB 3.27Å; G319-Q323 WeakPolarHBondContact O-CB 3.4Å; G319-Q323 PolarHBondContact O-N 2.92Å; G319-N361 VanDerWaalsContact C-ND2 3.26Å; G319-N361 PolarHBondContact O-ND2 2.87Å; G319-N361 VanDerWaalsContact O-ND2 3.15Å
320D96.7Very high96.7Very high6 Ų625.6 Ų25.63%0.03212%0.12CC..Hα-helixtrans-62.7-39.7175.4-55.7-31.7000111.5R263 L279 N282 V289 T317 V318 Q323 M324R263-D320 IonicContact CZ-OD2 2.68Å; R263-D320 IonicContact NH1-OD1 3.31Å; R263-D320 PolarHBondContact NH1-OD1 2.77Å; R263-D320 IonicContact NH1-OD2 2.65Å; R263-D320 PolarHBondContact NH1-OD2 3.47Å; L279-D320 HydrophobicContact CD1-CB 3.81Å; N282-D320 PolarHBondContact ND2-OD1 3Å; V289-D320 HydrophobicContact CB-CB 4.35Å; V289-D320 HydrophobicContact CG2-CB 4.24Å; T317-D320 PolarHBondContact O-N 2.87Å; V318-D320 PolarHBondContact O-N 2.87Å; D320-Q323 PolarHBondContact O-N 3.37Å; D320-M324 WeakPolarHBondContact O-CB 3.43Å; D320-M324 PolarHBondContact O-N 2.91Å
321F98.2Very high96.5Very high3 Ų327.7 Ų27.71%0.01313%0.129CC..Hα-helixtrans-64.4-47.1178.6178.5-89.1000111.9T310 P313 T317 V318 G319 M324 V325 I333 Y350 V446T310-F321 HydrophobicContact CG2-CD2 4.35Å; T310-F321 HydrophobicContact CG2-CE2 3.97Å; P313-F321 HydrophobicContact CB-CB 4.42Å; P313-F321 HydrophobicContact CG-CB 3.91Å; P313-F321 HydrophobicContact CG-CD1 4.3Å; P313-F321 HydrophobicContact CG-CD2 3.44Å; P313-F321 VanDerWaalsContact CG-CD2 3.44Å; P313-F321 HydrophobicContact CG-CE2 3.98Å; P313-F321 HydrophobicContact CG-CG 3.62Å; T317-F321 PolarHBondContact O-N 2.87Å; V318-F321 WeakPolarHBondContact O-CB 3.38Å; V318-F321 PolarHBondContact O-N 3.36Å; G319-F321 VanDerWaalsContact C-N 3.31Å; G319-F321 PolarHBondContact O-N 2.84Å; F321-M324 HydrophobicContact CD2-CE 4Å; F321-M324 HydrophobicContact CE2-CE 4.18Å; F321-M324 WeakPolarHBondContact O-CB 3.35Å; F321-M324 PolarHBondContact O-N 3.04Å; F321-V325 HydrophobicContact CD1-CG2 4.25Å; F321-V325 HydrophobicContact CE1-CG2 3.86Å; F321-V325 HydrophobicContact CZ-CG2 4.21Å; F321-V325 WeakPolarHBondContact O-CG2 3.19Å; F321-V325 PolarHBondContact O-N 3.46Å; F321-I333 HydrophobicContact CE1-CD1 3.98Å; F321-I333 HydrophobicContact CZ-CD1 4.07Å; F321-I333 HydrophobicContact CZ-CG2 4.17Å; F321-Y350 AromaticContact CD1-CD2 3.76Å; F321-Y350 HydrophobicContact CD1-CD2 3.76Å; F321-Y350 HydrophobicContact CD1-CE2 4.08Å; F321-Y350 HydrophobicContact CD1-CG 4.29Å; F321-Y350 AromaticContact CE1-CD2 3.48Å; F321-Y350 HydrophobicContact CE1-CD2 3.48Å; F321-Y350 VanDerWaalsContact CE1-CD2 3.48Å; F321-Y350 AromaticContact CE1-CE2 3.3Å; F321-Y350 HydrophobicContact CE1-CE2 3.3Å; F321-Y350 HydrophobicContact CE1-CG 4.28Å; F321-Y350 AromaticContact CE1-CZ 3.94Å; F321-Y350 HydrophobicContact CZ-CD2 4.2Å; F321-Y350 AromaticContact CZ-CE2 3.69Å; F321-Y350 HydrophobicContact CZ-CE2 3.69Å; F321-Y350 AromaticContact CZ-CZ 3.84Å; F321-V446 HydrophobicContact CE2-CG1 3.98Å; F321-V446 HydrophobicContact CZ-CG1 4.12Å
322W97.7Very high96.3Very high0 Ų027.7 Ų27.70%013%0.13CC..Hα-helixtrans-70.9-33.9177.5-72.5117.1000113V318 G319 M324 V325 W326 I333 Y350 W351 W360 L363 V365 F381 I383V318-W322 PolarHBondContact O-N 2.98Å; V318-W322 VanDerWaalsContact O-N 3.08Å; G319-W322 PolarHBondContact O-N 2.9Å; W322-M324 VanDerWaalsContact C-N 3.3Å; W322-M324 PolarHBondContact O-N 3.5Å; W322-V325 HydrophobicContact CE3-CB 4.06Å; W322-V325 HydrophobicContact CE3-CG1 3.92Å; W322-V325 HydrophobicContact CE3-CG2 4.27Å; W322-V325 HydrophobicContact CZ3-CG1 4.03Å; W322-V325 PolarHBondContact O-N 3.24Å; W322-W326 WeakPolarHBondContact O-CB 3.42Å; W322-W326 PolarHBondContact O-N 3.04Å; W322-I333 HydrophobicContact CH2-CD1 4.16Å; W322-I333 HydrophobicContact CZ3-CD1 4.02Å; W322-Y350 HydrophobicContact CH2-CD2 4.49Å; W322-Y350 HydrophobicContact CH2-CE2 4.46Å; W322-Y350 AromaticContact CZ2-CD2 3.73Å; W322-Y350 HydrophobicContact CZ2-CD2 3.73Å; W322-Y350 HydrophobicContact CZ2-CE2 4.12Å; W322-Y350 WeakPolarHBondContact CZ2-O 3.44Å; W322-Y350 PolarHBondContact NE1-O 2.86Å; W322-W351 HydrophobicContact CZ2-CB 4.33Å; W322-W360 AromaticContact CD1-CE3 3.75Å; W322-W360 AromaticContact NE1-CE3 3.99Å; W322-W360 AromaticContact NE1-CZ3 3.87Å; W322-L363 HydrophobicContact CB-CD1 4.22Å; W322-L363 WeakPolarHBondContact O-CD1 3.38Å; W322-V365 HydrophobicContact CB-CG2 4.43Å; W322-V365 HydrophobicContact CD2-CG1 4.32Å; W322-V365 HydrophobicContact CD2-CG2 3.76Å; W322-V365 HydrophobicContact CE3-CG1 4.48Å; W322-V365 HydrophobicContact CE3-CG2 4.18Å; W322-V365 HydrophobicContact CG-CG2 3.86Å; W322-V365 HydrophobicContact CH2-CG1 3.9Å; W322-V365 HydrophobicContact CZ2-CG1 3.71Å; W322-V365 HydrophobicContact CZ3-CG1 4.28Å; W322-F381 AromaticContact CH2-CD2 3.69Å; W322-F381 HydrophobicContact CH2-CD2 3.69Å; W322-F381 AromaticContact CH2-CE2 3.95Å; W322-F381 HydrophobicContact CH2-CE2 3.95Å; W322-F381 HydrophobicContact CH2-CG 4.11Å; W322-F381 HydrophobicContact CZ3-CD2 4.47Å; W322-I383 HydrophobicContact CE3-CD1 3.63Å; W322-I383 HydrophobicContact CE3-CG1 4.49Å; W322-I383 HydrophobicContact CZ3-CD1 3.66Å; W322-I383 HydrophobicContact CZ3-CG1 4.4Å
323Q96.3Very high96.3Very high6 Ų627.7 Ų27.73%0.02813%0.13CC..Hα-helixtrans-59.1-45.2172.2-169.264.139.200110.7L279 G319 D320 W326 E327L279-Q323 HydrophobicContact CD1-CB 4.47Å; L279-Q323 HydrophobicContact CD2-CB 4.24Å; L279-Q323 HydrophobicContact CD2-CG 4.2Å; G319-Q323 VanDerWaalsContact O-CB 3.27Å; G319-Q323 WeakPolarHBondContact O-CB 3.4Å; G319-Q323 PolarHBondContact O-N 2.92Å; D320-Q323 PolarHBondContact O-N 3.37Å; Q323-W326 PolarHBondContact O-N 3.39Å; Q323-E327 HydrophobicContact CG-CG 4.38Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.39Å; Q323-E327 PolarHBondContact NE2-OE1 3.41Å; Q323-E327 WeakPolarHBondContact O-CB 2.99Å; Q323-E327 VanDerWaalsContact O-CG 3.32Å; Q323-E327 WeakPolarHBondContact O-CG 3.39Å; Q323-E327 PolarHBondContact O-N 3.41Å
324M97.1Very high96.3Very high0 Ų027.6 Ų27.60%013%0.129CC..Hα-helixtrans-59.7-47.8174.2-178.7-175.471.300112.1V277 L279 V289 A291 I308 T310 D320 F321 W322 W326 Q328 V446V277-M324 HydrophobicContact CB-CG 4.45Å; V277-M324 HydrophobicContact CB-SD 4.32Å; V277-M324 HydrophobicContact CG1-CG 3.87Å; V277-M324 HydrophobicContact CG1-SD 4.38Å; V277-M324 HydrophobicContact CG2-SD 4.19Å; L279-M324 HydrophobicContact CD2-CB 3.84Å; V289-M324 HydrophobicContact CG1-SD 4.2Å; V289-M324 HydrophobicContact CG2-SD 4.36Å; A291-M324 HydrophobicContact CB-SD 3.43Å; A291-M324 WeakPolarHBondContact CB-SD 3.31Å; I308-M324 HydrophobicContact CD1-CG 4.45Å; I308-M324 HydrophobicContact CG2-CE 3.97Å; I308-M324 HydrophobicContact CG2-SD 3.61Å; T310-M324 HydrophobicContact CG2-CE 4.19Å; D320-M324 WeakPolarHBondContact O-CB 3.43Å; D320-M324 PolarHBondContact O-N 2.91Å; F321-M324 HydrophobicContact CD2-CE 4Å; F321-M324 HydrophobicContact CE2-CE 4.18Å; F321-M324 WeakPolarHBondContact O-CB 3.35Å; F321-M324 PolarHBondContact O-N 3.04Å; W322-M324 VanDerWaalsContact C-N 3.3Å; W322-M324 PolarHBondContact O-N 3.5Å; M324-W326 VanDerWaalsContact C-N 3.3Å; M324-W326 PolarHBondContact O-N 3.44Å; M324-Q328 HydrophobicContact CG-CG 4.43Å; M324-Q328 VanDerWaalsContact O-CB 3.26Å; M324-Q328 WeakPolarHBondContact O-CB 3.38Å; M324-Q328 VanDerWaalsContact O-CG 3.25Å; M324-Q328 WeakPolarHBondContact O-CG 3.26Å; M324-Q328 PolarHBondContact O-N 2.95Å; M324-V446 HydrophobicContact CE-CG1 4.32Å; M324-V446 HydrophobicContact CE-CG2 4.04Å
325V97.4Very high96.3Very high0 Ų026.5 Ų26.50%012%0.123CC..Hα-helixtrans-58.4-44.6178.5164.60000110.8F321 W322 R329 V330 I333 I383 M392 V394 V446F321-V325 HydrophobicContact CD1-CG2 4.25Å; F321-V325 HydrophobicContact CE1-CG2 3.86Å; F321-V325 HydrophobicContact CZ-CG2 4.21Å; F321-V325 WeakPolarHBondContact O-CG2 3.19Å; F321-V325 PolarHBondContact O-N 3.46Å; W322-V325 HydrophobicContact CE3-CB 4.06Å; W322-V325 HydrophobicContact CE3-CG1 3.92Å; W322-V325 HydrophobicContact CE3-CG2 4.27Å; W322-V325 HydrophobicContact CZ3-CG1 4.03Å; W322-V325 PolarHBondContact O-N 3.24Å; V325-R329 PolarHBondContact O-N 3.36Å; V325-V330 HydrophobicContact CB-CB 4.39Å; V325-V330 HydrophobicContact CG1-CB 4.06Å; V325-V330 HydrophobicContact CG2-CB 4.5Å; V325-V330 PolarHBondContact O-N 3.48Å; V325-I333 HydrophobicContact CG2-CD1 4.06Å; V325-I333 HydrophobicContact CG2-CG1 4.49Å; V325-I383 HydrophobicContact CG1-CD1 3.78Å; V325-M392 HydrophobicContact CG1-CE 4.07Å; V325-V394 HydrophobicContact CG1-CG1 4.35Å; V325-V394 HydrophobicContact CG1-CG2 3.98Å; V325-V446 HydrophobicContact CG2-CG2 4.45Å
326W95.6Very high96.3Very high46 Ų4619.6 Ų19.617%0.1749%0.091CC..Hα-helixtrans-65.7-54179.2179.5-97.4000112.6W322 Q323 M324 Q328 R329 L363 I383 N385 H390 M392W322-W326 WeakPolarHBondContact O-CB 3.42Å; W322-W326 PolarHBondContact O-N 3.04Å; Q323-W326 PolarHBondContact O-N 3.39Å; M324-W326 VanDerWaalsContact C-N 3.3Å; M324-W326 PolarHBondContact O-N 3.44Å; W326-Q328 VanDerWaalsContact C-N 3.29Å; W326-Q328 PolarHBondContact O-N 3.45Å; W326-R329 PolarHBondContact O-N 3.4Å; W326-R329 VanDerWaalsContact O-N 3.11Å; W326-L363 HydrophobicContact CB-CD1 3.59Å; W326-L363 HydrophobicContact CB-CD2 4.19Å; W326-L363 HydrophobicContact CD2-CD2 3.62Å; W326-L363 HydrophobicContact CE3-CD2 4Å; W326-L363 HydrophobicContact CG-CD1 3.99Å; W326-L363 HydrophobicContact CG-CD2 3.67Å; W326-I383 HydrophobicContact CE3-CB 4.18Å; W326-I383 HydrophobicContact CE3-CG2 3.61Å; W326-I383 HydrophobicContact CZ3-CB 4.27Å; W326-I383 HydrophobicContact CZ3-CG2 3.99Å; W326-N385 HydrophobicContact CH2-CB 3.61Å; W326-N385 HydrophobicContact CZ2-CB 3.3Å; W326-N385 HydrophobicContact CZ3-CB 4.32Å; W326-H390 HydrophobicContact CH2-CB 3.85Å; W326-H390 VanDerWaalsContact CH2-O 3.25Å; W326-H390 WeakPolarHBondContact CH2-O 3.5Å; W326-H390 HydrophobicContact CZ2-CB 4.11Å; W326-M392 HydrophobicContact CE3-CB 4.37Å; W326-M392 HydrophobicContact CE3-CE 4.25Å; W326-M392 HydrophobicContact CZ3-CB 3.88Å
327E94.8Very high96.3Very high36 Ų3615.4 Ų15.417%0.1687%0.069CC..Hα-helixtrans-63-36.4-176.9-72.8178179.200112.3L279 L280 N281 Q323 R329L279-E327 WeakPolarHBondContact CA-OE2 3.27Å; L280-E327 PolarHBondContact N-OE1 3Å; L280-E327 PolarHBondContact N-OE2 3.28Å; N281-E327 PolarHBondContact N-OE1 3.4Å; Q323-E327 HydrophobicContact CG-CG 4.38Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.39Å; Q323-E327 PolarHBondContact NE2-OE1 3.41Å; Q323-E327 WeakPolarHBondContact O-CB 2.99Å; Q323-E327 VanDerWaalsContact O-CG 3.32Å; Q323-E327 WeakPolarHBondContact O-CG 3.39Å; Q323-E327 PolarHBondContact O-N 3.41Å; E327-R329 VanDerWaalsContact C-N 3.28Å; E327-R329 PolarHBondContact O-N 2.88Å
328Q94.3Very high96.1Very high49 Ų4919 Ų1923%0.2299%0.088CC..THydrogen-bonded Turntrans-89.17.2-180-56.1-58.1-47.600113V277 F293 I308 M324 W326 V330 P444V277-Q328 HydrophobicContact CG1-CG 4.29Å; F293-Q328 HydrophobicContact CE1-CG 4.43Å; F293-Q328 HydrophobicContact CZ-CG 4.43Å; I308-Q328 HydrophobicContact CD1-CB 3.77Å; I308-Q328 HydrophobicContact CD1-CG 3.73Å; M324-Q328 HydrophobicContact CG-CG 4.43Å; M324-Q328 VanDerWaalsContact O-CB 3.26Å; M324-Q328 WeakPolarHBondContact O-CB 3.38Å; M324-Q328 VanDerWaalsContact O-CG 3.25Å; M324-Q328 WeakPolarHBondContact O-CG 3.26Å; M324-Q328 PolarHBondContact O-N 2.95Å; W326-Q328 VanDerWaalsContact C-N 3.29Å; W326-Q328 PolarHBondContact O-N 3.45Å; Q328-V330 HydrophobicContact CB-CG2 3.89Å; Q328-V330 PolarHBondContact O-N 2.84Å; Q328-P444 HydrophobicContact CB-CG 4.26Å
329R94Very high96Very high106 Ų10621.2 Ų21.240%0.410%0.099SC..THydrogen-bonded Turntrans48.544.4-179.6-58-174.1-176.8166.76.1112.9V325 W326 E327 H331 M392 P443V325-R329 PolarHBondContact O-N 3.36Å; W326-R329 PolarHBondContact O-N 3.4Å; W326-R329 VanDerWaalsContact O-N 3.11Å; E327-R329 VanDerWaalsContact C-N 3.28Å; E327-R329 PolarHBondContact O-N 2.88Å; R329-H331 PolarHBondContact O-CD2 3.05Å; R329-H331 PolarHBondContact O-N 3.47Å; R329-M392 HydrophobicContact CB-SD 4.37Å; R329-P443 VanDerWaalsContact O-CB 3.22Å; R329-P443 WeakPolarHBondContact O-CB 3.27Å
330V94.2Very high95.9Very high0 Ų026.7 Ų26.70%012%0.123CC..  trans-75.5119.5-175.2171.50000109.6I308 V325 Q328 T332 I333 V394 P444 V446I308-V330 HydrophobicContact CD1-CG2 4.2Å; V325-V330 HydrophobicContact CB-CB 4.39Å; V325-V330 HydrophobicContact CG1-CB 4.06Å; V325-V330 HydrophobicContact CG2-CB 4.5Å; V325-V330 PolarHBondContact O-N 3.48Å; Q328-V330 HydrophobicContact CB-CG2 3.89Å; Q328-V330 PolarHBondContact O-N 2.84Å; V330-T332 VanDerWaalsContact CG1-O 3.25Å; V330-T332 WeakPolarHBondContact CG1-O 3.47Å; V330-I333 HydrophobicContact CG1-CG1 4.21Å; V330-V394 WeakPolarHBondContact O-CG2 3.26Å; V330-P444 HydrophobicContact CG2-CG 4.26Å; V330-V446 HydrophobicContact CB-CG2 4.19Å; V330-V446 HydrophobicContact CG1-CB 4.04Å; V330-V446 HydrophobicContact CG1-CG2 3.63Å; V330-V446 HydrophobicContact CG2-CG2 3.65Å
331H93.5Very high95.5Very high47 Ų4727.2 Ų27.222%0.21813%0.125CC..  trans-95.9-13.4174.8-66.9-68.3000114.1R329 N393 T395 L429R329-H331 PolarHBondContact O-CD2 3.05Å; R329-H331 PolarHBondContact O-N 3.47Å; H331-N393 PolarHBondContact ND1-O 3.26Å; H331-T395 PolarHBondContact O-N 3.46Å; H331-L429 HydrophobicContact CB-CD1 4.5Å; H331-L429 VanDerWaalsContact CD2-CD1 3.49Å; H331-L429 WeakPolarHBondContact CD2-CD1 3.41Å
332T95.2Very high95Very high6 Ų631.3 Ų31.34%0.03715%0.154CC..EExtended strand (participates in β ladder)trans-136.4126.9-176.3-52.50000111.5V330 V334 T395 L397 T445 V446V330-T332 VanDerWaalsContact CG1-O 3.25Å; V330-T332 WeakPolarHBondContact CG1-O 3.47Å; T332-V334 HydrophobicContact CG2-CG2 4.4Å; T332-T395 CarbonylContact C-O 3.54Å; T332-T395 WeakPolarHBondContact CA-O 3.22Å; T332-L397 HydrophobicContact CG2-CD1 3.78Å; T332-T445 HydrophobicContact CG2-CG2 4.08Å; T332-V446 PolarHBondContact O-N 3.14Å
333I98.1Very high94.6Very high0 Ų034.7 Ų34.70%019%0.188CC..EExtended strand (participates in β ladder)trans-115.8127.2173.9-58.9168.3000108.3F321 W322 V325 V330 Y350 V394 T395 Q396 L397 V446F321-I333 HydrophobicContact CE1-CD1 3.98Å; F321-I333 HydrophobicContact CZ-CD1 4.07Å; F321-I333 HydrophobicContact CZ-CG2 4.17Å; W322-I333 HydrophobicContact CH2-CD1 4.16Å; W322-I333 HydrophobicContact CZ3-CD1 4.02Å; V325-I333 HydrophobicContact CG2-CD1 4.06Å; V325-I333 HydrophobicContact CG2-CG1 4.49Å; V330-I333 HydrophobicContact CG1-CG1 4.21Å; I333-Y350 WeakPolarHBondContact CG2-OH 3.36Å; I333-V394 HydrophobicContact CD1-CG1 3.62Å; I333-V394 HydrophobicContact CG1-CG1 3.81Å; I333-T395 PolarHBondContact N-O 3.11Å; I333-Q396 HydrophobicContact CB-CB 4.17Å; I333-Q396 HydrophobicContact CB-CG 4.26Å; I333-Q396 HydrophobicContact CG2-CG 4.18Å; I333-Q396 CarbonylContact O-C 3.59Å; I333-Q396 VanDerWaalsContact O-CA 3.29Å; I333-Q396 WeakPolarHBondContact O-CA 3.32Å; I333-L397 PolarHBondContact O-N 2.91Å; I333-V446 CarbonylContact C-O 3.6Å; I333-V446 WeakPolarHBondContact CA-O 3.37Å; I333-V446 HydrophobicContact CG1-CB 4.24Å; I333-V446 HydrophobicContact CG2-CG1 4.22Å
334V98.1Very high94.3Very high0 Ų039.4 Ų39.40%021%0.211CC..EExtended strand (participates in β ladder)trans-109.8112.8173.7179.50000108.8T332 L336 F417 V421 T445 V446 V447 H448 Y459T332-V334 HydrophobicContact CG2-CG2 4.4Å; V334-L336 HydrophobicContact CG1-CD1 4.47Å; V334-L336 HydrophobicContact CG1-CD2 3.79Å; V334-L336 HydrophobicContact CG1-CG 3.98Å; V334-F417 HydrophobicContact CG1-CE1 3.87Å; V334-F417 HydrophobicContact CG1-CZ 4Å; V334-V421 HydrophobicContact CG2-CG1 4.05Å; V334-V421 HydrophobicContact CG2-CG2 4.29Å; V334-T445 HydrophobicContact CG2-CG2 3.94Å; V334-V446 PolarHBondContact N-O 2.85Å; V334-V447 HydrophobicContact CB-CG1 4.22Å; V334-V447 HydrophobicContact CB-CG2 4.31Å; V334-V447 HydrophobicContact CG1-CG1 4.3Å; V334-V447 WeakPolarHBondContact O-CA 2.95Å; V334-H448 PolarHBondContact O-N 3.37Å; V334-Y459 HydrophobicContact CB-CE2 4.44Å; V334-Y459 HydrophobicContact CG1-CD2 3.93Å; V334-Y459 HydrophobicContact CG1-CE2 3.78Å; V334-Y459 HydrophobicContact CG1-CG 4.5Å; V334-Y459 HydrophobicContact CG2-CE2 4.15Å
335M98.1Very high94.2Very high1 Ų143.5 Ų43.51%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-103.6121.3177.8174.2166.4-179.400109.2T337 C347 Y350 W351 L397 C398 F399 H448M335-T337 HydrophobicContact CE-CG2 4.05Å; M335-T337 WeakPolarHBondContact CE-O 3.19Å; M335-T337 WeakPolarHBondContact CG-O 3.42Å; M335-C347 HydrophobicContact CE-CB 3.93Å; M335-Y350 HydrophobicContact SD-CE1 4.15Å; M335-W351 HydrophobicContact CE-CH2 3.65Å; M335-W351 HydrophobicContact CE-CZ3 3.98Å; M335-W351 HydrophobicContact SD-CH2 3.57Å; M335-W351 VanDerWaalsContact SD-CH2 3.57Å; M335-W351 HydrophobicContact SD-CZ3 3.58Å; M335-W351 VanDerWaalsContact SD-CZ3 3.58Å; M335-L397 PolarHBondContact N-O 2.83Å; M335-C398 HydrophobicContact CB-CB 4.16Å; M335-C398 HydrophobicContact CG-CB 4.35Å; M335-C398 CarbonylContact O-C 3.54Å; M335-C398 WeakPolarHBondContact O-CA 3.49Å; M335-C398 HydrophobicContact SD-CB 4.48Å; M335-F399 PolarHBondContact O-N 2.98Å; M335-H448 WeakPolarHBondContact CB-NE2 3.43Å; M335-H448 WeakPolarHBondContact CG-CE1 3.39Å
336L97.5Very high94.1Very high0 Ų044.8 Ų44.80%024%0.236CC..  trans-114.229.2-174-57.6166.6000112V334 F399 F414 F417 V447 H448 C449 R455 Y459V334-L336 HydrophobicContact CG1-CD1 4.47Å; V334-L336 HydrophobicContact CG1-CD2 3.79Å; V334-L336 HydrophobicContact CG1-CG 3.98Å; L336-F399 HydrophobicContact CD2-CB 4Å; L336-F414 HydrophobicContact CD2-CE2 4.11Å; L336-F417 HydrophobicContact CD2-CE1 4.06Å; L336-V447 HydrophobicContact CD1-CG1 3.81Å; L336-H448 PolarHBondContact N-O 3.47Å; L336-C449 HydrophobicContact CB-CB 4.12Å; L336-R455 HydrophobicContact CB-CB 3.95Å; L336-R455 HydrophobicContact CD1-CB 4.25Å; L336-R455 WeakPolarHBondContact CD1-O 3.33Å; L336-R455 WeakPolarHBondContact O-CD 3.29Å; L336-R455 PolarHBondContact O-NH1 3.48Å; L336-Y459 HydrophobicContact CD1-CG 4.15Å; L336-Y459 HydrophobicContact CD2-CD2 4.47Å
337T95Very high94.2Very high1 Ų142.6 Ų42.61%0.00623%0.228CC..SBendtrans-151153-179.5-159.60000108.6M335 E341 K346 C347 C449 R455M335-T337 HydrophobicContact CE-CG2 4.05Å; M335-T337 WeakPolarHBondContact CE-O 3.19Å; M335-T337 WeakPolarHBondContact CG-O 3.42Å; T337-E341 WeakPolarHBondContact CA-OE1 3.49Å; T337-E341 PolarHBondContact OG1-OE1 2.96Å; T337-K346 HydrophobicContact CG2-CB 4.48Å; T337-K346 WeakPolarHBondContact OG1-CB 3.4Å; T337-C347 HydrophobicContact CG2-CB 3.87Å; T337-C449 WeakPolarHBondContact CG2-O 3.29Å; T337-R455 PolarHBondContact OG1-NH1 2.98Å
338D93.2Very high94.3Very high83 Ų8343.6 Ų43.644%0.44423%0.232SC..  trans-81.9169.6165.9-151.6-25.3000110.2Q340 E341D338-Q340 VanDerWaalsContact C-N 3.3Å; D338-E341 HydrophobicContact CB-CG 4.06Å; D338-E341 PolarHBondContact N-OE1 2.99Å
339I95.2Very high94.5Very high46 Ų4644.5 Ų44.524%0.23623%0.233CC..SBendtrans-62.1-43.1173.7-68.1168.9000109.7E345 K346 C347 R349 W351I339-E345 WeakPolarHBondContact O-CA 3.26Å; I339-K346 PolarHBondContact O-N 3.25Å; I339-C347 WeakPolarHBondContact CA-O 3.33Å; I339-C347 VanDerWaalsContact CG2-O 3.25Å; I339-C347 WeakPolarHBondContact CG2-O 3.34Å; I339-C347 PolarHBondContact O-N 3.44Å; I339-R349 HydrophobicContact CD1-CB 3.78Å; I339-R349 HydrophobicContact CD1-CG 4Å; I339-W351 HydrophobicContact CD1-CH2 4.14Å; I339-W351 HydrophobicContact CD1-CZ2 4.07Å; I339-W351 HydrophobicContact CG1-CH2 4.1Å
340Q93Very high94.7Very high125 Ų12539.5 Ų39.558%0.58421%0.214SC*.EExtended strand (participates in β ladder)trans-128.7138.1177.4-64.6-1745.600111.4D338 M344D338-Q340 VanDerWaalsContact C-N 3.3Å; Q340-M344 WeakPolarHBondContact CA-O 3.36Å
341E90.2Very high94.9Very high17 Ų1739.9 Ų39.98%0.07922%0.216CC..EExtended strand (participates in β ladder)trans-138127.4174.2-59.5172.2-174.800108.4T337 D338 G343 M344 K346 D404 R455T337-E341 WeakPolarHBondContact CA-OE1 3.49Å; T337-E341 PolarHBondContact OG1-OE1 2.96Å; D338-E341 HydrophobicContact CB-CG 4.06Å; D338-E341 PolarHBondContact N-OE1 2.99Å; E341-G343 PolarHBondContact O-N 3.42Å; E341-M344 PolarHBondContact N-O 3.39Å; E341-M344 PolarHBondContact O-N 2.94Å; E341-K346 HydrophobicContact CB-CD 4.43Å; E341-K346 HydrophobicContact CB-CG 3.8Å; E341-K346 HydrophobicContact CG-CG 3.81Å; E341-D404 HydrophobicContact CB-CB 3.86Å; E341-D404 WeakPolarHBondContact CB-OD1 3.39Å; E341-R455 IonicContact OE1-CZ 3.48Å; E341-R455 IonicContact OE1-NH1 3.91Å; E341-R455 PolarHBondContact OE1-NH1 3.29Å; E341-R455 IonicContact OE1-NH2 2.95Å; E341-R455 IonicContact OE2-CZ 3.27Å; E341-R455 IonicContact OE2-NH1 2.75Å; E341-R455 PolarHBondContact OE2-NH1 3.4Å; E341-R455 IonicContact OE2-NH2 3.46Å; E341-R455 PolarHBondContact OE2-NH2 3.48Å
342S87.4Confident95Very high89 Ų8937.7 Ų37.762%0.62221%0.206SC*.THydrogen-bonded Turntrans47.442.5-171.7-58.80000114.2M344 D404S342-M344 PolarHBondContact O-N 3.16Å; S342-D404 WeakPolarHBondContact CB-OD2 3.26Å; S342-D404 PolarHBondContact OG-OD2 3.05Å
343G87.9Confident95.1Very high70 Ų7041.4 Ų41.472%0.72222%0.222SC*.THydrogen-bonded Turntrans73.43178.900000115E341E341-G343 PolarHBondContact O-N 3.42Å
344M90.8Very high94.9Very high105 Ų10544.2 Ų44.252%0.51724%0.237SC..EExtended strand (participates in β ladder)trans-101.3134.8173.6-67.6-170-75.800110.6Q340 E341 S342 K346Q340-M344 WeakPolarHBondContact CA-O 3.36Å; E341-M344 PolarHBondContact N-O 3.39Å; E341-M344 PolarHBondContact O-N 2.94Å; S342-M344 PolarHBondContact O-N 3.16Å; M344-K346 PolarHBondContact O-N 3.03Å
345E94.8Very high94.3Very high87 Ų8750.8 Ų50.841%0.40727%0.272SS..EExtended strand (participates in β ladder)trans-67.4122.4170.5-166.2-157.682.800110.5R265 I339R265-E345 IonicContact CZ-OE1 2.83Å; R265-E345 PolarHBondContact NH1-O 2.98Å; R265-E345 IonicContact NH1-OE1 2.92Å; R265-E345 PolarHBondContact NH1-OE1 3.39Å; R265-E345 IonicContact NH2-OE1 3.81Å; R265-E345 PolarHBondContact NH2-OE1 3.08Å; I339-E345 WeakPolarHBondContact O-CA 3.26Å
346K95.4Very high94Very high26 Ų2655.5 Ų55.511%0.11329%0.294CS..  trans-104.5-27.5176.9-61.2-60.2-169.9171.10112.2R265 T337 I339 E341 M344 D404 S450R265-K346 PolarHBondContact NE-O 3.38Å; T337-K346 HydrophobicContact CG2-CB 4.48Å; T337-K346 WeakPolarHBondContact OG1-CB 3.4Å; I339-K346 PolarHBondContact O-N 3.25Å; E341-K346 HydrophobicContact CB-CD 4.43Å; E341-K346 HydrophobicContact CB-CG 3.8Å; E341-K346 HydrophobicContact CG-CG 3.81Å; M344-K346 PolarHBondContact O-N 3.03Å; K346-D404 VanDerWaalsContact CE-OD1 3.32Å; K346-D404 WeakPolarHBondContact CE-OD1 3.45Å; K346-D404 IonicContact NZ-OD1 3.89Å; K346-D404 PolarHBondContact NZ-OD1 3.15Å; K346-D404 VanDerWaalsContact NZ-OD1 3.08Å; K346-S450 WeakPolarHBondContact O-CA 3.01Å; K346-S450 PolarHBondContact O-OG 3.03Å
347C97.4Very high93.9Very high0 Ų059 Ų590%032%0.318CS..SBendtrans-153.1135.5179.5-171.70000108.9M335 T337 I339M335-C347 HydrophobicContact CE-CB 3.93Å; T337-C347 HydrophobicContact CG2-CB 3.87Å; I339-C347 WeakPolarHBondContact CA-O 3.33Å; I339-C347 VanDerWaalsContact CG2-O 3.25Å; I339-C347 WeakPolarHBondContact CG2-O 3.34Å; I339-C347 PolarHBondContact O-N 3.44Å
348F97.9Very high93.9Very high57 Ų5761.9 Ų61.925%0.2533%0.332CS..  trans-73.8148.5167.7-171.8-98.4000109.2P313 E315 V318 Y350P313-F348 VanDerWaalsContact O-CB 3.23Å; P313-F348 WeakPolarHBondContact O-CB 3.38Å; P313-F348 PolarHBondContact O-N 3.5Å; E315-F348 HydrophobicContact CB-CD1 4.39Å; E315-F348 HydrophobicContact CB-CD2 3.8Å; E315-F348 HydrophobicContact CB-CE1 4.36Å; E315-F348 HydrophobicContact CB-CE2 3.76Å; E315-F348 HydrophobicContact CB-CG 4.11Å; E315-F348 HydrophobicContact CB-CZ 4.05Å; E315-F348 HydrophobicContact CG-CD2 4.39Å; E315-F348 HydrophobicContact CG-CE1 4.27Å; E315-F348 HydrophobicContact CG-CE2 3.84Å; E315-F348 HydrophobicContact CG-CZ 3.77Å; V318-F348 HydrophobicContact CG2-CD1 3.57Å; V318-F348 HydrophobicContact CG2-CE1 3.96Å; F348-Y350 VanDerWaalsContact C-N 3.34Å; F348-Y350 WeakPolarHBondContact O-CD1 3.32Å; F348-Y350 PolarHBondContact O-N 3.25Å
349R97.9Very high94Very high69 Ų6963.5 Ų63.526%0.2634%0.337SS..  trans-70.992.5174.1-169.5-177.763108.812.1109.1I339 W351 E353I339-R349 HydrophobicContact CD1-CB 3.78Å; I339-R349 HydrophobicContact CD1-CG 4Å; R349-W351 HydrophobicContact CG-CD2 3.91Å; R349-W351 HydrophobicContact CG-CE3 4.39Å; R349-W351 HydrophobicContact CG-CG 4.28Å; R349-W351 HydrophobicContact CG-CH2 4.43Å; R349-W351 HydrophobicContact CG-CZ2 3.95Å; R349-W351 PolarHBondContact NH1-O 2.89Å; R349-W351 PolarHBondContact O-N 2.99Å; R349-E353 IonicContact CZ-OE1 3.76Å; R349-E353 IonicContact NE-OE1 2.99Å; R349-E353 VanDerWaalsContact NH1-CD 3.31Å; R349-E353 IonicContact NH1-OE1 2.82Å; R349-E353 PolarHBondContact NH1-OE1 2.86Å
350Y98.1Very high93.9Very high0 Ų063.7 Ų63.70%034%0.335CS..  trans-82.110.2-177.560.9-96.7000113.3P313 F321 W322 I333 M335 F348 Q396 H448P313-Y350 HydrophobicContact CB-CD1 4.07Å; P313-Y350 HydrophobicContact CB-CG 4.3Å; P313-Y350 HydrophobicContact CG-CD1 3.52Å; P313-Y350 HydrophobicContact CG-CE1 4.08Å; P313-Y350 HydrophobicContact CG-CG 3.87Å; F321-Y350 AromaticContact CD1-CD2 3.76Å; F321-Y350 HydrophobicContact CD1-CD2 3.76Å; F321-Y350 HydrophobicContact CD1-CE2 4.08Å; F321-Y350 HydrophobicContact CD1-CG 4.29Å; F321-Y350 AromaticContact CE1-CD2 3.48Å; F321-Y350 HydrophobicContact CE1-CD2 3.48Å; F321-Y350 VanDerWaalsContact CE1-CD2 3.48Å; F321-Y350 AromaticContact CE1-CE2 3.3Å; F321-Y350 HydrophobicContact CE1-CE2 3.3Å; F321-Y350 HydrophobicContact CE1-CG 4.28Å; F321-Y350 AromaticContact CE1-CZ 3.94Å; F321-Y350 HydrophobicContact CZ-CD2 4.2Å; F321-Y350 AromaticContact CZ-CE2 3.69Å; F321-Y350 HydrophobicContact CZ-CE2 3.69Å; F321-Y350 AromaticContact CZ-CZ 3.84Å; W322-Y350 HydrophobicContact CH2-CD2 4.49Å; W322-Y350 HydrophobicContact CH2-CE2 4.46Å; W322-Y350 AromaticContact CZ2-CD2 3.73Å; W322-Y350 HydrophobicContact CZ2-CD2 3.73Å; W322-Y350 HydrophobicContact CZ2-CE2 4.12Å; W322-Y350 WeakPolarHBondContact CZ2-O 3.44Å; W322-Y350 PolarHBondContact NE1-O 2.86Å; I333-Y350 WeakPolarHBondContact CG2-OH 3.36Å; M335-Y350 HydrophobicContact SD-CE1 4.15Å; F348-Y350 VanDerWaalsContact C-N 3.34Å; F348-Y350 WeakPolarHBondContact O-CD1 3.32Å; F348-Y350 PolarHBondContact O-N 3.25Å; Y350-Q396 VanDerWaalsContact CZ-NE2 3.26Å; Y350-Q396 PolarHBondContact OH-NE2 3.49Å; Y350-H448 AromaticContact CE1-CE1 3.63Å; Y350-H448 AromaticContact CE1-NE2 3.41Å; Y350-H448 WeakPolarHBondContact CE1-NE2 3.18Å; Y350-H448 AromaticContact CZ-NE2 3.46Å; Y350-H448 PolarHBondContact OH-NE2 3.01Å
351W98.2Very high93.9Very high9 Ų959.7 Ų59.73%0.03432%0.317CS..SBendtrans-129.3154.3-176.660.289.6000111.3W322 M335 I339 R349 F381 Q396W322-W351 HydrophobicContact CZ2-CB 4.33Å; M335-W351 HydrophobicContact CE-CH2 3.65Å; M335-W351 HydrophobicContact CE-CZ3 3.98Å; M335-W351 HydrophobicContact SD-CH2 3.57Å; M335-W351 VanDerWaalsContact SD-CH2 3.57Å; M335-W351 HydrophobicContact SD-CZ3 3.58Å; M335-W351 VanDerWaalsContact SD-CZ3 3.58Å; I339-W351 HydrophobicContact CD1-CH2 4.14Å; I339-W351 HydrophobicContact CD1-CZ2 4.07Å; I339-W351 HydrophobicContact CG1-CH2 4.1Å; R349-W351 HydrophobicContact CG-CD2 3.91Å; R349-W351 HydrophobicContact CG-CE3 4.39Å; R349-W351 HydrophobicContact CG-CG 4.28Å; R349-W351 HydrophobicContact CG-CH2 4.43Å; R349-W351 HydrophobicContact CG-CZ2 3.95Å; R349-W351 PolarHBondContact NH1-O 2.89Å; R349-W351 PolarHBondContact O-N 2.99Å; W351-F381 HydrophobicContact CB-CE1 3.63Å; W351-F381 HydrophobicContact CB-CE2 4.41Å; W351-F381 HydrophobicContact CB-CZ 3.48Å; W351-F381 VanDerWaalsContact CB-CZ 3.48Å; W351-F381 HydrophobicContact CG-CE1 4.19Å; W351-F381 AromaticContact CG-CZ 3.84Å; W351-F381 HydrophobicContact CG-CZ 3.84Å; W351-Q396 VanDerWaalsContact CE3-NE2 3.34Å
352P96.7Very high94Very high0 Ų065 Ų650%034%0.336CS..PPolyproline II helixtrans-73.7162.5172.433.8-38.2000112.1Q356 Q358 V365 C367P352-Q356 HydrophobicContact CB-CB 4.16Å; P352-Q356 WeakPolarHBondContact CB-O 3.49Å; P352-Q356 WeakPolarHBondContact CG-O 3.36Å; P352-Q358 HydrophobicContact CB-CB 4.39Å; P352-Q358 HydrophobicContact CB-CG 4.13Å; P352-V365 WeakPolarHBondContact CG-O 3.32Å; P352-C367 HydrophobicContact CG-CB 4.04Å
353E95.6Very high94.4Very high84 Ų8460.8 Ų60.839%0.39331%0.307SS..PPolyproline II helixtrans-67.1164.1169-67.4-56.2144.600110.9R349 D355 Q356 C367R349-E353 IonicContact CZ-OE1 3.76Å; R349-E353 IonicContact NE-OE1 2.99Å; R349-E353 VanDerWaalsContact NH1-CD 3.31Å; R349-E353 IonicContact NH1-OE1 2.82Å; R349-E353 PolarHBondContact NH1-OE1 2.86Å; E353-D355 PolarHBondContact O-N 3.16Å; E353-Q356 HydrophobicContact CB-CG 4.2Å; E353-Q356 WeakPolarHBondContact O-CB 3.4Å; E353-Q356 PolarHBondContact O-N 3.4Å; E353-C367 WeakPolarHBondContact O-CB 3.21Å
354I95.4Very high94.8Very high59 Ų5960 Ų6030%0.30329%0.286SS..BIsolated β-bridgetrans-51.3137.2172.9-173.158.2000111Q356 L370I354-Q356 PolarHBondContact O-N 2.83Å; I354-Q356 VanDerWaalsContact O-N 3.17Å; I354-L370 HydrophobicContact CB-CB 4.25Å; I354-L370 HydrophobicContact CB-CD2 4.41Å; I354-L370 HydrophobicContact CD1-CB 4.05Å; I354-L370 HydrophobicContact CG1-CB 4.25Å
355D85.3Confident95Very high139 Ų13955 Ų5574%0.74326%0.261SS*.THydrogen-bonded Turntrans60.218.3-177-53.9-42.8000114.6E353 C367E353-D355 PolarHBondContact O-N 3.16Å; D355-C367 PolarHBondContact N-O 3.23Å
356Q92Very high95Very high100 Ų10051.9 Ų51.947%0.46725%0.249SC..  trans-116.5157.7172.6-59.7-175.69.300111.6P352 E353 I354 S366 C367P352-Q356 HydrophobicContact CB-CB 4.16Å; P352-Q356 WeakPolarHBondContact CB-O 3.49Å; P352-Q356 WeakPolarHBondContact CG-O 3.36Å; E353-Q356 HydrophobicContact CB-CG 4.2Å; E353-Q356 WeakPolarHBondContact O-CB 3.4Å; E353-Q356 PolarHBondContact O-N 3.4Å; I354-Q356 PolarHBondContact O-N 2.83Å; I354-Q356 VanDerWaalsContact O-N 3.17Å; Q356-S366 WeakPolarHBondContact O-CA 3.48Å; Q356-C367 PolarHBondContact O-N 3.01Å; Q356-C367 VanDerWaalsContact O-N 3.11Å
357S93.7Very high94.7Very high72 Ų7250.7 Ų50.750%0.50324%0.244SC..EExtended strand (participates in β ladder)trans-125144.7176.4-51.50000110.3V365 S366S357-V365 CarbonylContact C-O 3.54Å; S357-V365 VanDerWaalsContact CA-O 3.28Å; S357-V365 WeakPolarHBondContact CA-O 3.36Å; S357-S366 WeakPolarHBondContact CB-OG 3.47Å; S357-S366 WeakPolarHBondContact OG-CB 3.41Å; S357-S366 PolarHBondContact OG-OG 2.83Å
358Q96.1Very high94.5Very high62 Ų6254.5 Ų54.529%0.2926%0.263SS..EExtended strand (participates in β ladder)trans-136.8147.4171-75.5178.650.100109.1P352 W360 V365P352-Q358 HydrophobicContact CB-CB 4.39Å; P352-Q358 HydrophobicContact CB-CG 4.13Å; Q358-W360 HydrophobicContact CB-CE3 4.1Å; Q358-W360 HydrophobicContact CB-CH2 3.22Å; Q358-W360 HydrophobicContact CB-CZ2 3.81Å; Q358-W360 HydrophobicContact CB-CZ3 3.37Å; Q358-W360 HydrophobicContact CG-CH2 4.01Å; Q358-W360 HydrophobicContact CG-CZ2 4.43Å; Q358-V365 PolarHBondContact N-O 2.67Å; Q358-V365 PolarHBondContact O-N 3.22Å
359E95.1Very high94.3Very high117 Ų11757.1 Ų57.155%0.54727%0.271SS..EExtended strand (participates in β ladder)trans-111.7129.3-176.7-171.2-175.1159.800110.9L363 I364E359-L363 WeakPolarHBondContact CA-O 3.32Å; E359-I364 HydrophobicContact CG-CG1 4.16Å
360W94.2Very high94Very high51 Ų5156.1 Ų56.119%0.19327%0.271CS..EExtended strand (participates in β ladder)trans-136.9134.6169.4-61.6-86.2000110.2V318 W322 Q358 R362 L363 V365V318-W360 HydrophobicContact CG1-CD2 3.68Å; V318-W360 HydrophobicContact CG1-CE3 4.16Å; V318-W360 HydrophobicContact CG1-CG 4.09Å; V318-W360 HydrophobicContact CG1-CH2 4.08Å; V318-W360 HydrophobicContact CG1-CZ2 3.62Å; V318-W360 HydrophobicContact CG1-CZ3 4.35Å; W322-W360 AromaticContact CD1-CE3 3.75Å; W322-W360 AromaticContact NE1-CE3 3.99Å; W322-W360 AromaticContact NE1-CZ3 3.87Å; Q358-W360 HydrophobicContact CB-CE3 4.1Å; Q358-W360 HydrophobicContact CB-CH2 3.22Å; Q358-W360 HydrophobicContact CB-CZ2 3.81Å; Q358-W360 HydrophobicContact CB-CZ3 3.37Å; Q358-W360 HydrophobicContact CG-CH2 4.01Å; Q358-W360 HydrophobicContact CG-CZ2 4.43Å; W360-R362 PolarHBondContact O-N 2.96Å; W360-R362 VanDerWaalsContact O-N 3.16Å; W360-L363 PolarHBondContact N-O 3.31Å; W360-L363 WeakPolarHBondContact O-CA 3.47Å; W360-L363 VanDerWaalsContact O-CB 3.31Å; W360-L363 WeakPolarHBondContact O-CB 3.35Å; W360-L363 PolarHBondContact O-N 3.26Å; W360-V365 HydrophobicContact CE3-CB 4.47Å; W360-V365 HydrophobicContact CE3-CG2 4.24Å; W360-V365 HydrophobicContact CZ3-CB 4.17Å; W360-V365 HydrophobicContact CZ3-CG2 4.38Å
361N91.7Very high93.8Very high40 Ų4059.7 Ų59.721%0.21429%0.288CS..THydrogen-bonded Turntrans49.940.3178.6-67.8-13.1000113.3N282 G319 L363N282-N361 PolarHBondContact OD1-ND2 2.83Å; N282-N361 VanDerWaalsContact OD1-ND2 3.1Å; G319-N361 VanDerWaalsContact C-ND2 3.26Å; G319-N361 PolarHBondContact O-ND2 2.87Å; G319-N361 VanDerWaalsContact O-ND2 3.15Å; N361-L363 PolarHBondContact O-N 2.88Å
362R92.6Very high93.4Very high129 Ų12965.3 Ų65.349%0.48731%0.314SS..THydrogen-bonded Turntrans63.117.1-176.4-48.5-179.5-175.1159.61.1114.7W360 A386 D387W360-R362 PolarHBondContact O-N 2.96Å; W360-R362 VanDerWaalsContact O-N 3.16Å; R362-A386 HydrophobicContact CB-CB 4.23Å; R362-A386 WeakPolarHBondContact O-CB 3.45Å; R362-A386 PolarHBondContact O-N 2.94Å; R362-D387 WeakPolarHBondContact CD-OD2 3.41Å; R362-D387 IonicContact CZ-OD2 2.99Å; R362-D387 IonicContact NE-OD2 3.4Å; R362-D387 IonicContact NH1-OD1 3.87Å; R362-D387 IonicContact NH1-OD2 3.78Å; R362-D387 PolarHBondContact NH1-OD2 3.21Å
363L94.8Very high92.9Very high0 Ų067 Ų670%033%0.329CS..EExtended strand (participates in β ladder)trans-103.6114.9170.5-58.1174.6000108.2W322 W326 E359 W360 N361 V365 I383 N385W322-L363 HydrophobicContact CB-CD1 4.22Å; W322-L363 WeakPolarHBondContact O-CD1 3.38Å; W326-L363 HydrophobicContact CB-CD1 3.59Å; W326-L363 HydrophobicContact CB-CD2 4.19Å; W326-L363 HydrophobicContact CD2-CD2 3.62Å; W326-L363 HydrophobicContact CE3-CD2 4Å; W326-L363 HydrophobicContact CG-CD1 3.99Å; W326-L363 HydrophobicContact CG-CD2 3.67Å; E359-L363 WeakPolarHBondContact CA-O 3.32Å; W360-L363 PolarHBondContact N-O 3.31Å; W360-L363 WeakPolarHBondContact O-CA 3.47Å; W360-L363 VanDerWaalsContact O-CB 3.31Å; W360-L363 WeakPolarHBondContact O-CB 3.35Å; W360-L363 PolarHBondContact O-N 3.26Å; N361-L363 PolarHBondContact O-N 2.88Å; L363-V365 PolarHBondContact O-N 3.28Å; L363-I383 HydrophobicContact CB-CG2 4.09Å; L363-I383 HydrophobicContact CD2-CG2 4.33Å; L363-N385 HydrophobicContact CD2-CB 3.93Å
364I96.2Very high92.4Very high55 Ų5566.3 Ų66.328%0.28234%0.344SS..EExtended strand (participates in β ladder)trans-86107.3173.7-55.9172.2000106.8E359 I383 I384E359-I364 HydrophobicContact CG-CG1 4.16Å; I364-I383 WeakPolarHBondContact O-CA 3.47Å; I364-I384 HydrophobicContact CB-CB 4.45Å; I364-I384 PolarHBondContact N-O 2.91Å; I364-I384 PolarHBondContact O-N 3.04Å
365V96.3Very high92.1Very high0 Ų068.9 Ų68.90%035%0.35CS..EExtended strand (participates in β ladder)trans-99.9124.7178.4-176.20000108W322 P352 S357 Q358 W360 L363 F381 I383W322-V365 HydrophobicContact CB-CG2 4.43Å; W322-V365 HydrophobicContact CD2-CG1 4.32Å; W322-V365 HydrophobicContact CD2-CG2 3.76Å; W322-V365 HydrophobicContact CE3-CG1 4.48Å; W322-V365 HydrophobicContact CE3-CG2 4.18Å; W322-V365 HydrophobicContact CG-CG2 3.86Å; W322-V365 HydrophobicContact CH2-CG1 3.9Å; W322-V365 HydrophobicContact CZ2-CG1 3.71Å; W322-V365 HydrophobicContact CZ3-CG1 4.28Å; P352-V365 WeakPolarHBondContact CG-O 3.32Å; S357-V365 CarbonylContact C-O 3.54Å; S357-V365 VanDerWaalsContact CA-O 3.28Å; S357-V365 WeakPolarHBondContact CA-O 3.36Å; Q358-V365 PolarHBondContact N-O 2.67Å; Q358-V365 PolarHBondContact O-N 3.22Å; W360-V365 HydrophobicContact CE3-CB 4.47Å; W360-V365 HydrophobicContact CE3-CG2 4.24Å; W360-V365 HydrophobicContact CZ3-CB 4.17Å; W360-V365 HydrophobicContact CZ3-CG2 4.38Å; L363-V365 PolarHBondContact O-N 3.28Å; V365-F381 HydrophobicContact CG1-CB 4.35Å; V365-F381 HydrophobicContact CG1-CD1 4.43Å; V365-F381 HydrophobicContact CG1-CG 4.49Å; V365-I383 HydrophobicContact CG1-CG1 4.49Å; V365-I383 HydrophobicContact CG2-CG1 4.38Å; V365-I383 HydrophobicContact CG2-CG2 4.3Å
366S94.1Very high92.5Very high20 Ų2064.3 Ų64.314%0.1432%0.322CS..EExtended strand (participates in β ladder)trans-122.5133.4179.6-51.50000110.4Q356 S357 I368 F381 S382Q356-S366 WeakPolarHBondContact O-CA 3.48Å; S357-S366 WeakPolarHBondContact CB-OG 3.47Å; S357-S366 WeakPolarHBondContact OG-CB 3.41Å; S357-S366 PolarHBondContact OG-OG 2.83Å; S366-I368 PolarHBondContact O-N 3.48Å; S366-F381 CarbonylContact O-C 3.57Å; S366-F381 WeakPolarHBondContact O-CA 3.02Å; S366-S382 PolarHBondContact N-O 2.9Å; S366-S382 PolarHBondContact O-N 3.46Å
367C89.3Confident92.6Very high2 Ų260.7 Ų60.71%0.01431%0.306CS..EExtended strand (participates in β ladder)trans-87.5109.8171.3-172.80000109P352 E353 D355 Q356 F381P352-C367 HydrophobicContact CG-CB 4.04Å; E353-C367 WeakPolarHBondContact O-CB 3.21Å; D355-C367 PolarHBondContact N-O 3.23Å; Q356-C367 PolarHBondContact O-N 3.01Å; Q356-C367 VanDerWaalsContact O-N 3.11Å; C367-F381 HydrophobicContact CB-CD1 3.91Å; C367-F381 HydrophobicContact CB-CE1 3.83Å
368I92.7Very high92.7Very high80 Ų8058 Ų5841%0.4129%0.286SS..EExtended strand (participates in β ladder)trans-99.4-17.6-173.858.4169.4000112.7S366 E380S366-I368 PolarHBondContact O-N 3.48Å; I368-E380 HydrophobicContact CD1-CB 4.29Å; I368-E380 HydrophobicContact CG1-CB 3.94Å; I368-E380 VanDerWaalsContact CG1-O 3.28Å; I368-E380 WeakPolarHBondContact CG1-O 3.32Å; I368-E380 PolarHBondContact N-O 2.82Å
369R93.7Very high92.8Very high111 Ų11156.2 Ų56.242%0.41928%0.276SS..EExtended strand (participates in β ladder)trans-150.9141.4176.7-169.1-179.8166.4-172-3.2110.8E371 R379 E380R369-E371 IonicContact CZ-OE2 3.08Å; R369-E371 IonicContact NH2-OE2 2.71Å; R369-E371 PolarHBondContact NH2-OE2 2.95Å; R369-R379 CarbonylContact O-C 3.6Å; R369-R379 VanDerWaalsContact O-CA 3.29Å; R369-R379 WeakPolarHBondContact O-CA 3.25Å; R369-E380 HydrophobicContact CB-CB 3.89Å; R369-E380 HydrophobicContact CB-CG 4.14Å; R369-E380 WeakPolarHBondContact CD-OE1 3.47Å; R369-E380 IonicContact CZ-OE1 3.09Å; R369-E380 PolarHBondContact N-O 3.25Å; R369-E380 IonicContact NE-OE1 3.72Å; R369-E380 IonicContact NH1-OE1 3.38Å; R369-E380 PolarHBondContact NH1-OE1 2.76Å; R369-E380 PolarHBondContact O-N 3.39Å
370L92.8Very high92.8Very high48 Ų4853.3 Ų53.325%0.25126%0.263SS..EExtended strand (participates in β ladder)trans-135131171.8171.562.1000109.2I354 L378 R379I354-L370 HydrophobicContact CB-CB 4.25Å; I354-L370 HydrophobicContact CB-CD2 4.41Å; I354-L370 HydrophobicContact CD1-CB 4.05Å; I354-L370 HydrophobicContact CG1-CB 4.25Å; L370-L378 CarbonylContact C-O 3.58Å; L370-L378 WeakPolarHBondContact CA-O 3.47Å; L370-R379 HydrophobicContact CD1-CG 3.66Å
371E93.2Very high92.8Very high76 Ų7650.9 Ų50.936%0.35525%0.254SS..EExtended strand (participates in β ladder)trans-132.5118.8174.8-175.9179.4147.800109.8R369 D377 L378R369-E371 IonicContact CZ-OE2 3.08Å; R369-E371 IonicContact NH2-OE2 2.71Å; R369-E371 PolarHBondContact NH2-OE2 2.95Å; E371-D377 WeakPolarHBondContact O-CA 3.45Å; E371-L378 HydrophobicContact CB-CB 4.33Å; E371-L378 PolarHBondContact N-O 3.31Å; E371-L378 PolarHBondContact O-N 3.39Å
372H91Very high93Very high126 Ų12649.4 Ų49.458%0.58325%0.246SC*.EExtended strand (participates in β ladder)trans-89.8105.7173.7-66.6-62.7000109.8D377H372-D377 IonicContact CE1-OD1 3.74Å; H372-D377 IonicContact CE1-OD2 2.67Å; H372-D377 IonicContact CG-OD1 3.62Å; H372-D377 VanDerWaalsContact ND1-CG 3.31Å; H372-D377 IonicContact ND1-OD1 2.75Å; H372-D377 PolarHBondContact ND1-OD1 3.08Å; H372-D377 IonicContact ND1-OD2 3.62Å
373A84.9Confident93Very high37 Ų3743.2 Ų43.231%0.30622%0.223SC..  trans-98.719.5179.800000112.9R375 Y376A373-R375 PolarHBondContact O-N 2.71Å; A373-Y376 WeakPolarHBondContact CA-O 3.4Å; A373-Y376 HydrophobicContact CB-CD1 4.11Å; A373-Y376 HydrophobicContact CB-CD2 3.86Å; A373-Y376 HydrophobicContact CB-CE1 3.68Å; A373-Y376 HydrophobicContact CB-CE2 3.39Å; A373-Y376 HydrophobicContact CB-CG 4.17Å; A373-Y376 WeakPolarHBondContact CB-O 3.45Å; A373-Y376 PolarHBondContact N-O 3.1Å
374G85.2Confident92.8Very high69 Ų6945.5 Ų45.571%0.71124%0.235SC*.SBendtrans73.8-42.8175.100000115.5
375R89.3Confident92.6Very high113 Ų11343.9 Ų43.943%0.42623%0.226SC..SBendtrans-106.5-9.7177.4-59.2-177.9-176.3167.5-1.1113.4A373 F399 T400 A401 I413 E416A373-R375 PolarHBondContact O-N 2.71Å; R375-F399 WeakPolarHBondContact O-CD2 3.23Å; R375-T400 PolarHBondContact O-N 3.33Å; R375-T400 VanDerWaalsContact O-N 3.15Å; R375-T400 PolarHBondContact O-OG1 3.18Å; R375-A401 HydrophobicContact CB-CB 4.11Å; R375-A401 PolarHBondContact O-N 3.28Å; R375-I413 HydrophobicContact CB-CG2 4.49Å; R375-E416 IonicContact CZ-OE2 3.97Å; R375-E416 IonicContact NH1-OE1 3.8Å; R375-E416 IonicContact NH1-OE2 2.86Å; R375-E416 PolarHBondContact NH1-OE2 2.77Å
376Y93.9Very high92.3Very high43 Ų4345.3 Ų45.317%0.16924%0.238CC..EExtended strand (participates in β ladder)trans-153.6157.4170.862.4-90.2000109A373 C398 T400 F417 V420A373-Y376 WeakPolarHBondContact CA-O 3.4Å; A373-Y376 HydrophobicContact CB-CD1 4.11Å; A373-Y376 HydrophobicContact CB-CD2 3.86Å; A373-Y376 HydrophobicContact CB-CE1 3.68Å; A373-Y376 HydrophobicContact CB-CE2 3.39Å; A373-Y376 HydrophobicContact CB-CG 4.17Å; A373-Y376 WeakPolarHBondContact CB-O 3.45Å; A373-Y376 PolarHBondContact N-O 3.1Å; Y376-C398 CarbonylContact C-O 3.58Å; Y376-C398 WeakPolarHBondContact CA-O 3.4Å; Y376-C398 WeakPolarHBondContact CB-O 3.32Å; Y376-T400 PolarHBondContact N-OG1 3.42Å; Y376-F417 HydrophobicContact CD1-CD2 4.06Å; Y376-F417 AromaticContact CG-CD2 3.89Å; Y376-F417 HydrophobicContact CG-CD2 3.89Å; Y376-F417 HydrophobicContact CG-CE2 4.23Å; Y376-V420 HydrophobicContact CE1-CG2 4.02Å; Y376-V420 HydrophobicContact CE2-CG1 4.01Å
377D94.8Very high92.1Very high24 Ų2449.2 Ų49.213%0.12826%0.258CS..EExtended strand (participates in β ladder)trans-105.7142.3165.4-68.1-17.4000109.2E371 H372 R379 C398E371-D377 WeakPolarHBondContact O-CA 3.45Å; H372-D377 IonicContact CE1-OD1 3.74Å; H372-D377 IonicContact CE1-OD2 2.67Å; H372-D377 IonicContact CG-OD1 3.62Å; H372-D377 VanDerWaalsContact ND1-CG 3.31Å; H372-D377 IonicContact ND1-OD1 2.75Å; H372-D377 PolarHBondContact ND1-OD1 3.08Å; H372-D377 IonicContact ND1-OD2 3.62Å; D377-R379 IonicContact OD2-CZ 3.73Å; D377-R379 IonicContact OD2-NH1 2.77Å; D377-R379 IonicContact OD2-NH2 3.54Å; D377-R379 PolarHBondContact OD2-NH2 3.24Å; D377-C398 HydrophobicContact CB-CB 4.26Å; D377-C398 PolarHBondContact N-O 3.49Å; D377-C398 PolarHBondContact O-N 2.72Å
378L95.8Very high92.2Very high14 Ų1452.6 Ų52.67%0.07328%0.278CS..EExtended strand (participates in β ladder)trans-113.5127.3170.6-177153.1000108.8L370 E371 E380 T395 Q396 V424L370-L378 CarbonylContact C-O 3.58Å; L370-L378 WeakPolarHBondContact CA-O 3.47Å; E371-L378 HydrophobicContact CB-CB 4.33Å; E371-L378 PolarHBondContact N-O 3.31Å; E371-L378 PolarHBondContact O-N 3.39Å; L378-E380 HydrophobicContact CD2-CG 3.99Å; L378-T395 HydrophobicContact CD1-CG2 4.23Å; L378-T395 HydrophobicContact CD2-CG2 4.16Å; L378-T395 HydrophobicContact CG-CG2 3.92Å; L378-Q396 WeakPolarHBondContact CA-O 3.43Å; L378-V424 HydrophobicContact CD1-CG2 4.06Å
379R96.4Very high92Very high25 Ų2555.2 Ų55.29%0.09429%0.289CS..EExtended strand (participates in β ladder)trans-122.6132.8173.7-65.2-178.2-174.27412.5109.6R369 L370 D377 F381 T395 Q396R369-R379 CarbonylContact O-C 3.6Å; R369-R379 VanDerWaalsContact O-CA 3.29Å; R369-R379 WeakPolarHBondContact O-CA 3.25Å; L370-R379 HydrophobicContact CD1-CG 3.66Å; D377-R379 IonicContact OD2-CZ 3.73Å; D377-R379 IonicContact OD2-NH1 2.77Å; D377-R379 IonicContact OD2-NH2 3.54Å; D377-R379 PolarHBondContact OD2-NH2 3.24Å; R379-F381 HydrophobicContact CB-CE1 4Å; R379-F381 HydrophobicContact CB-CE2 4.03Å; R379-F381 HydrophobicContact CB-CZ 3.59Å; R379-F381 HydrophobicContact CG-CZ 4.32Å; R379-T395 CarbonylContact O-C 3.54Å; R379-T395 WeakPolarHBondContact O-CA 3.41Å; R379-Q396 HydrophobicContact CB-CB 4.37Å; R379-Q396 PolarHBondContact N-O 3.25Å; R379-Q396 PolarHBondContact O-N 3.26Å
380E95.6Very high91.8Very high57 Ų5755.7 Ų55.727%0.26630%0.296SS..EExtended strand (participates in β ladder)trans-103.9131.3167.1-59.4175.5-169.100108.3I368 R369 L378 T395I368-E380 HydrophobicContact CD1-CB 4.29Å; I368-E380 HydrophobicContact CG1-CB 3.94Å; I368-E380 VanDerWaalsContact CG1-O 3.28Å; I368-E380 WeakPolarHBondContact CG1-O 3.32Å; I368-E380 PolarHBondContact N-O 2.82Å; R369-E380 HydrophobicContact CB-CB 3.89Å; R369-E380 HydrophobicContact CB-CG 4.14Å; R369-E380 WeakPolarHBondContact CD-OE1 3.47Å; R369-E380 IonicContact CZ-OE1 3.09Å; R369-E380 PolarHBondContact N-O 3.25Å; R369-E380 IonicContact NE-OE1 3.72Å; R369-E380 IonicContact NH1-OE1 3.38Å; R369-E380 PolarHBondContact NH1-OE1 2.76Å; R369-E380 PolarHBondContact O-N 3.39Å; L378-E380 HydrophobicContact CD2-CG 3.99Å; E380-T395 HydrophobicContact CG-CG2 4.41Å
381F95.2Very high91.7Very high0 Ų059.2 Ų59.20%031%0.311CS..EExtended strand (participates in β ladder)trans-115.4137.1178.2-56.1-63.2000109.9W322 W351 V365 S366 C367 R379 N393 V394 Q396W322-F381 AromaticContact CH2-CD2 3.69Å; W322-F381 HydrophobicContact CH2-CD2 3.69Å; W322-F381 AromaticContact CH2-CE2 3.95Å; W322-F381 HydrophobicContact CH2-CE2 3.95Å; W322-F381 HydrophobicContact CH2-CG 4.11Å; W322-F381 HydrophobicContact CZ3-CD2 4.47Å; W351-F381 HydrophobicContact CB-CE1 3.63Å; W351-F381 HydrophobicContact CB-CE2 4.41Å; W351-F381 HydrophobicContact CB-CZ 3.48Å; W351-F381 VanDerWaalsContact CB-CZ 3.48Å; W351-F381 HydrophobicContact CG-CE1 4.19Å; W351-F381 AromaticContact CG-CZ 3.84Å; W351-F381 HydrophobicContact CG-CZ 3.84Å; V365-F381 HydrophobicContact CG1-CB 4.35Å; V365-F381 HydrophobicContact CG1-CD1 4.43Å; V365-F381 HydrophobicContact CG1-CG 4.49Å; S366-F381 CarbonylContact O-C 3.57Å; S366-F381 WeakPolarHBondContact O-CA 3.02Å; C367-F381 HydrophobicContact CB-CD1 3.91Å; C367-F381 HydrophobicContact CB-CE1 3.83Å; R379-F381 HydrophobicContact CB-CE1 4Å; R379-F381 HydrophobicContact CB-CE2 4.03Å; R379-F381 HydrophobicContact CB-CZ 3.59Å; R379-F381 HydrophobicContact CG-CZ 4.32Å; F381-N393 CarbonylContact O-C 3.43Å; F381-N393 VanDerWaalsContact O-CA 3.31Å; F381-N393 WeakPolarHBondContact O-CA 3.25Å; F381-V394 HydrophobicContact CB-CB 4.44Å; F381-V394 PolarHBondContact N-O 3.35Å; F381-V394 PolarHBondContact O-N 2.91Å; F381-Q396 HydrophobicContact CD2-CB 4.28Å; F381-Q396 HydrophobicContact CE2-CB 3.52Å; F381-Q396 HydrophobicContact CE2-CG 4.38Å; F381-Q396 HydrophobicContact CZ-CB 4.34Å
382S95.1Very high91.6Very high8 Ų856.6 Ų56.66%0.05630%0.299CS..EExtended strand (participates in β ladder)trans-99.2126.9161.4165.40000107.9S366 E391S366-S382 PolarHBondContact N-O 2.9Å; S366-S382 PolarHBondContact O-N 3.46Å; S382-E391 WeakPolarHBondContact CB-OE1 3.37Å; S382-E391 PolarHBondContact OG-OE1 3.21Å
383I92.6Very high91.8Very high0 Ų054.9 Ų54.90%029%0.294CS..EExtended strand (participates in β ladder)trans-112.4120.7175.9-50.6177.4000107.6W322 V325 W326 L363 I364 V365 E391 M392 V394W322-I383 HydrophobicContact CE3-CD1 3.63Å; W322-I383 HydrophobicContact CE3-CG1 4.49Å; W322-I383 HydrophobicContact CZ3-CD1 3.66Å; W322-I383 HydrophobicContact CZ3-CG1 4.4Å; V325-I383 HydrophobicContact CG1-CD1 3.78Å; W326-I383 HydrophobicContact CE3-CB 4.18Å; W326-I383 HydrophobicContact CE3-CG2 3.61Å; W326-I383 HydrophobicContact CZ3-CB 4.27Å; W326-I383 HydrophobicContact CZ3-CG2 3.99Å; L363-I383 HydrophobicContact CB-CG2 4.09Å; L363-I383 HydrophobicContact CD2-CG2 4.33Å; I364-I383 WeakPolarHBondContact O-CA 3.47Å; V365-I383 HydrophobicContact CG1-CG1 4.49Å; V365-I383 HydrophobicContact CG2-CG1 4.38Å; V365-I383 HydrophobicContact CG2-CG2 4.3Å; I383-E391 CarbonylContact O-C 3.59Å; I383-E391 VanDerWaalsContact O-CA 3.26Å; I383-E391 WeakPolarHBondContact O-CA 3.13Å; I383-M392 HydrophobicContact CD1-CE 4.03Å; I383-M392 PolarHBondContact N-O 3.13Å; I383-M392 PolarHBondContact O-N 3.05Å; I383-V394 HydrophobicContact CD1-CB 4.37Å; I383-V394 HydrophobicContact CD1-CG2 3.45Å; I383-V394 VanDerWaalsContact CD1-CG2 3.45Å; I383-V394 HydrophobicContact CG1-CG2 4.14Å
384I91.1Very high92.3Very high48 Ų4853.1 Ų53.125%0.24628%0.279CS..EExtended strand (participates in β ladder)trans-113.3126175.7-60.5169.7000108.7I364 A386 H390 E391I364-I384 HydrophobicContact CB-CB 4.45Å; I364-I384 PolarHBondContact N-O 2.91Å; I364-I384 PolarHBondContact O-N 3.04Å; I384-A386 PolarHBondContact O-N 3.25Å; I384-H390 WeakPolarHBondContact CA-O 3.45Å; I384-E391 HydrophobicContact CG1-CB 4.2Å; I384-E391 HydrophobicContact CG1-CG 3.95Å
385N91.5Very high92.8Very high20 Ų2050.9 Ų50.911%0.10725%0.252CS..EExtended strand (participates in β ladder)trans-80.7117.2171.6177.7-70.6000109.5W326 L363 D387 T388 Q389 H390W326-N385 HydrophobicContact CH2-CB 3.61Å; W326-N385 HydrophobicContact CZ2-CB 3.3Å; W326-N385 HydrophobicContact CZ3-CB 4.32Å; L363-N385 HydrophobicContact CD2-CB 3.93Å; N385-D387 PolarHBondContact O-N 3.18Å; N385-D387 PolarHBondContact OD1-N 2.75Å; N385-T388 WeakPolarHBondContact CB-OG1 3.25Å; N385-T388 VanDerWaalsContact CG-OG1 3.23Å; N385-T388 PolarHBondContact O-N 3.45Å; N385-T388 PolarHBondContact OD1-N 3.18Å; N385-T388 PolarHBondContact OD1-OG1 2.84Å; N385-Q389 VanDerWaalsContact O-CA 3.23Å; N385-Q389 WeakPolarHBondContact O-CA 3.49Å; N385-Q389 PolarHBondContact O-N 2.92Å; N385-H390 PolarHBondContact N-O 3.35Å
386A90.9Very high93.2Very high30 Ų3045.5 Ų45.525%0.24823%0.232CC..THydrogen-bonded Turntrans-63.3-30.5-172.300000113R362 I384 Q389R362-A386 HydrophobicContact CB-CB 4.23Å; R362-A386 WeakPolarHBondContact O-CB 3.45Å; R362-A386 PolarHBondContact O-N 2.94Å; I384-A386 PolarHBondContact O-N 3.25Å; A386-Q389 PolarHBondContact O-NE2 3.43Å
387D90.1Very high93.4Very high103 Ų10343.5 Ų43.555%0.55122%0.224SC*.THydrogen-bonded Turntrans-77.9-44.5-179.6-66-27.9000111.9R362 N385R362-D387 WeakPolarHBondContact CD-OD2 3.41Å; R362-D387 IonicContact CZ-OD2 2.99Å; R362-D387 IonicContact NE-OD2 3.4Å; R362-D387 IonicContact NH1-OD1 3.87Å; R362-D387 IonicContact NH1-OD2 3.78Å; R362-D387 PolarHBondContact NH1-OD2 3.21Å; N385-D387 PolarHBondContact O-N 3.18Å; N385-D387 PolarHBondContact OD1-N 2.75Å
388T91.5Very high93.5Very high72 Ų7242.6 Ų42.644%0.44222%0.219SC..THydrogen-bonded Turntrans-97.5-14.7-173.260.20000114.1N385 H390N385-T388 WeakPolarHBondContact CB-OG1 3.25Å; N385-T388 VanDerWaalsContact CG-OG1 3.23Å; N385-T388 PolarHBondContact O-N 3.45Å; N385-T388 PolarHBondContact OD1-N 3.18Å; N385-T388 PolarHBondContact OD1-OG1 2.84Å; T388-H390 PolarHBondContact O-N 3.12Å; T388-H390 VanDerWaalsContact O-N 3.1Å; T388-H390 PolarHBondContact OG1-N 3.09Å
389Q87.1Confident93.5Very high135 Ų13542 Ų4263%0.63122%0.216SC*.  trans58.412.5-171.8-58.4-67.1-61.500114.1N385 A386N385-Q389 VanDerWaalsContact O-CA 3.23Å; N385-Q389 WeakPolarHBondContact O-CA 3.49Å; N385-Q389 PolarHBondContact O-N 2.92Å; A386-Q389 PolarHBondContact O-NE2 3.43Å
390H90.1Very high93.3Very high122 Ų12243.2 Ų43.257%0.56523%0.227SC*.  trans-69.9143.8171.9-70149.2000110.4W326 I384 N385 T388W326-H390 HydrophobicContact CH2-CB 3.85Å; W326-H390 VanDerWaalsContact CH2-O 3.25Å; W326-H390 WeakPolarHBondContact CH2-O 3.5Å; W326-H390 HydrophobicContact CZ2-CB 4.11Å; I384-H390 WeakPolarHBondContact CA-O 3.45Å; N385-H390 PolarHBondContact N-O 3.35Å; T388-H390 PolarHBondContact O-N 3.12Å; T388-H390 VanDerWaalsContact O-N 3.1Å; T388-H390 PolarHBondContact OG1-N 3.09Å
391E90.1Very high93.1Very high122 Ų12242.1 Ų42.157%0.5723%0.227SC*.EExtended strand (participates in β ladder)trans-118.4141.7-179.3-174177-176.800110.8S382 I383 I384S382-E391 WeakPolarHBondContact CB-OE1 3.37Å; S382-E391 PolarHBondContact OG-OE1 3.21Å; I383-E391 CarbonylContact O-C 3.59Å; I383-E391 VanDerWaalsContact O-CA 3.26Å; I383-E391 WeakPolarHBondContact O-CA 3.13Å; I384-E391 HydrophobicContact CG1-CB 4.2Å; I384-E391 HydrophobicContact CG1-CG 3.95Å
392M92.4Very high93Very high20 Ų2042.8 Ų42.810%0.09923%0.23CC..EExtended strand (participates in β ladder)trans-136.5134.3172.8-178.9176.26800110.5V325 W326 R329 I383 V394V325-M392 HydrophobicContact CG1-CE 4.07Å; W326-M392 HydrophobicContact CE3-CB 4.37Å; W326-M392 HydrophobicContact CE3-CE 4.25Å; W326-M392 HydrophobicContact CZ3-CB 3.88Å; R329-M392 HydrophobicContact CB-SD 4.37Å; I383-M392 HydrophobicContact CD1-CE 4.03Å; I383-M392 PolarHBondContact N-O 3.13Å; I383-M392 PolarHBondContact O-N 3.05Å; M392-V394 HydrophobicContact CE-CG2 3.72Å; M392-V394 HydrophobicContact CG-CG2 4.34Å
393N93.8Very high92.5Very high90 Ų9044.8 Ų44.848%0.48124%0.243SC..EExtended strand (participates in β ladder)trans-91.5135.9172.2-70.3-22000111.4H331 F381H331-N393 PolarHBondContact ND1-O 3.26Å; F381-N393 CarbonylContact O-C 3.43Å; F381-N393 VanDerWaalsContact O-CA 3.31Å; F381-N393 WeakPolarHBondContact O-CA 3.25Å
394V95.3Very high91.4Very high0 Ų046.4 Ų46.40%025%0.251CS..EExtended strand (participates in β ladder)trans-130.6128.8179.8-173.90000109.7V325 V330 I333 F381 I383 M392V325-V394 HydrophobicContact CG1-CG1 4.35Å; V325-V394 HydrophobicContact CG1-CG2 3.98Å; V330-V394 WeakPolarHBondContact O-CG2 3.26Å; I333-V394 HydrophobicContact CD1-CG1 3.62Å; I333-V394 HydrophobicContact CG1-CG1 3.81Å; F381-V394 HydrophobicContact CB-CB 4.44Å; F381-V394 PolarHBondContact N-O 3.35Å; F381-V394 PolarHBondContact O-N 2.91Å; I383-V394 HydrophobicContact CD1-CB 4.37Å; I383-V394 HydrophobicContact CD1-CG2 3.45Å; I383-V394 VanDerWaalsContact CD1-CG2 3.45Å; I383-V394 HydrophobicContact CG1-CG2 4.14Å; M392-V394 HydrophobicContact CE-CG2 3.72Å; M392-V394 HydrophobicContact CG-CG2 4.34Å
395T96.3Very high90.7Very high23 Ų2351.1 Ų51.114%0.14127%0.272CS..EExtended strand (participates in β ladder)trans-101.2124.2173.2-51.40000110.4H331 T332 I333 L378 R379 E380 L397 V424H331-T395 PolarHBondContact O-N 3.46Å; T332-T395 CarbonylContact C-O 3.54Å; T332-T395 WeakPolarHBondContact CA-O 3.22Å; I333-T395 PolarHBondContact N-O 3.11Å; L378-T395 HydrophobicContact CD1-CG2 4.23Å; L378-T395 HydrophobicContact CD2-CG2 4.16Å; L378-T395 HydrophobicContact CG-CG2 3.92Å; R379-T395 CarbonylContact O-C 3.54Å; R379-T395 WeakPolarHBondContact O-CA 3.41Å; E380-T395 HydrophobicContact CG-CG2 4.41Å; T395-L397 HydrophobicContact CG2-CD1 4.26Å; T395-V424 HydrophobicContact CG2-CG1 3.53Å
396Q97.5Very high90.5Very high0 Ų051.2 Ų51.20%028%0.277CS..EExtended strand (participates in β ladder)trans-99.1129.8169178.7-154.569.300109.8I333 Y350 W351 L378 R379 F381I333-Q396 HydrophobicContact CB-CB 4.17Å; I333-Q396 HydrophobicContact CB-CG 4.26Å; I333-Q396 HydrophobicContact CG2-CG 4.18Å; I333-Q396 CarbonylContact O-C 3.59Å; I333-Q396 VanDerWaalsContact O-CA 3.29Å; I333-Q396 WeakPolarHBondContact O-CA 3.32Å; Y350-Q396 VanDerWaalsContact CZ-NE2 3.26Å; Y350-Q396 PolarHBondContact OH-NE2 3.49Å; W351-Q396 VanDerWaalsContact CE3-NE2 3.34Å; L378-Q396 WeakPolarHBondContact CA-O 3.43Å; R379-Q396 HydrophobicContact CB-CB 4.37Å; R379-Q396 PolarHBondContact N-O 3.25Å; R379-Q396 PolarHBondContact O-N 3.26Å; F381-Q396 HydrophobicContact CD2-CB 4.28Å; F381-Q396 HydrophobicContact CE2-CB 3.52Å; F381-Q396 HydrophobicContact CE2-CG 4.38Å; F381-Q396 HydrophobicContact CZ-CB 4.34Å
397L97.2Very high90.6Very high0 Ų051 Ų510%027%0.273CS..EExtended strand (participates in β ladder)trans-111.7109.5169.1-60.2102.7000108.8T332 I333 M335 T395 F417 V420 V421 V424T332-L397 HydrophobicContact CG2-CD1 3.78Å; I333-L397 PolarHBondContact O-N 2.91Å; M335-L397 PolarHBondContact N-O 2.83Å; T395-L397 HydrophobicContact CG2-CD1 4.26Å; L397-F417 HydrophobicContact CB-CE2 3.75Å; L397-F417 HydrophobicContact CB-CZ 3.82Å; L397-F417 HydrophobicContact CD2-CE2 4.47Å; L397-V420 HydrophobicContact CD2-CB 4.47Å; L397-V420 HydrophobicContact CD2-CG1 3.7Å; L397-V421 HydrophobicContact CB-CG2 4.36Å; L397-V421 HydrophobicContact CD1-CG2 4.34Å; L397-V421 HydrophobicContact CD2-CG2 3.93Å; L397-V421 HydrophobicContact CG-CG2 4.45Å; L397-V424 HydrophobicContact CD1-CB 4.43Å; L397-V424 HydrophobicContact CD1-CG1 4.16Å; L397-V424 HydrophobicContact CD2-CG2 4.21Å
398C97.3Very high90.7Very high5 Ų546.3 Ų46.33%0.03425%0.248CC..EExtended strand (participates in β ladder)trans-98.6110.3178.3-179.40000109.5M335 Y376 D377 T400M335-C398 HydrophobicContact CB-CB 4.16Å; M335-C398 HydrophobicContact CG-CB 4.35Å; M335-C398 CarbonylContact O-C 3.54Å; M335-C398 WeakPolarHBondContact O-CA 3.49Å; M335-C398 HydrophobicContact SD-CB 4.48Å; Y376-C398 CarbonylContact C-O 3.58Å; Y376-C398 WeakPolarHBondContact CA-O 3.4Å; Y376-C398 WeakPolarHBondContact CB-O 3.32Å; D377-C398 HydrophobicContact CB-CB 4.26Å; D377-C398 PolarHBondContact N-O 3.49Å; D377-C398 PolarHBondContact O-N 2.72Å; C398-T400 PolarHBondContact O-N 2.91Å
399F96.3Very high90.4Very high1 Ų147.8 Ų47.80%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-80.8105.2177.4-175.6-114.7000110.6M335 L336 R375 A401 W402 P408 I413 F414 F417M335-F399 PolarHBondContact O-N 2.98Å; L336-F399 HydrophobicContact CD2-CB 4Å; R375-F399 WeakPolarHBondContact O-CD2 3.23Å; F399-A401 HydrophobicContact CE1-CB 4.31Å; F399-A401 HydrophobicContact CE2-CB 3.9Å; F399-A401 HydrophobicContact CZ-CB 3.75Å; F399-W402 HydrophobicContact CD1-CB 3.82Å; F399-W402 AromaticContact CD1-CE3 3.79Å; F399-W402 HydrophobicContact CD1-CE3 3.79Å; F399-W402 HydrophobicContact CE1-CB 3.82Å; F399-W402 HydrophobicContact CE1-CD2 4.31Å; F399-W402 AromaticContact CE1-CE3 3.71Å; F399-W402 HydrophobicContact CE1-CE3 3.71Å; F399-W402 HydrophobicContact CE1-CG 4.41Å; F399-P408 HydrophobicContact CE1-CG 3.97Å; F399-P408 HydrophobicContact CZ-CG 4.32Å; F399-I413 HydrophobicContact CE2-CG2 3.9Å; F399-I413 HydrophobicContact CZ-CG2 3.89Å; F399-F414 HydrophobicContact CD1-CD2 4.21Å; F399-F414 HydrophobicContact CD1-CE2 4.41Å; F399-F414 AromaticContact CE1-CD2 3.83Å; F399-F414 HydrophobicContact CE1-CD2 3.83Å; F399-F414 HydrophobicContact CE1-CE2 4.44Å; F399-F414 HydrophobicContact CE2-CD2 4.3Å; F399-F414 HydrophobicContact CZ-CB 4.4Å; F399-F414 AromaticContact CZ-CD2 3.87Å; F399-F414 HydrophobicContact CZ-CD2 3.87Å; F399-F417 HydrophobicContact CB-CD1 4.08Å; F399-F417 HydrophobicContact CB-CD2 4.12Å; F399-F417 HydrophobicContact CB-CE1 3.82Å; F399-F417 HydrophobicContact CB-CE2 3.84Å; F399-F417 HydrophobicContact CB-CG 4.22Å; F399-F417 HydrophobicContact CB-CZ 3.69Å; F399-F417 HydrophobicContact CD2-CB 3.63Å; F399-F417 AromaticContact CD2-CD1 3.87Å; F399-F417 HydrophobicContact CD2-CD1 3.87Å; F399-F417 AromaticContact CD2-CD2 3.67Å; F399-F417 HydrophobicContact CD2-CD2 3.67Å; F399-F417 HydrophobicContact CD2-CE1 4.47Å; F399-F417 HydrophobicContact CD2-CE2 4.27Å; F399-F417 AromaticContact CD2-CG 3.43Å; F399-F417 HydrophobicContact CD2-CG 3.43Å; F399-F417 VanDerWaalsContact CD2-CG 3.43Å; F399-F417 HydrophobicContact CE2-CB 3.75Å; F399-F417 HydrophobicContact CE2-CG 4.08Å; F399-F417 HydrophobicContact CG-CD1 4.08Å; F399-F417 HydrophobicContact CG-CD2 4.31Å; F399-F417 HydrophobicContact CG-CE1 4.32Å; F399-F417 HydrophobicContact CG-CG 4.08Å
400T92.1Very high90.5Very high52 Ų5249.1 Ų49.132%0.31926%0.261SS..THydrogen-bonded Turntrans-89.7-10.4-173.856.90000113.2R375 Y376 C398 W402R375-T400 PolarHBondContact O-N 3.33Å; R375-T400 VanDerWaalsContact O-N 3.15Å; R375-T400 PolarHBondContact O-OG1 3.18Å; Y376-T400 PolarHBondContact N-OG1 3.42Å; C398-T400 PolarHBondContact O-N 2.91Å; T400-W402 VanDerWaalsContact C-N 3.35Å; T400-W402 PolarHBondContact O-N 2.93Å
401A91.3Very high90.6Very high34 Ų3444.1 Ų44.128%0.28124%0.239SC..THydrogen-bonded Turntrans-9012.7-177.600000114.6R375 F399 I413R375-A401 HydrophobicContact CB-CB 4.11Å; R375-A401 PolarHBondContact O-N 3.28Å; F399-A401 HydrophobicContact CE1-CB 4.31Å; F399-A401 HydrophobicContact CE2-CB 3.9Å; F399-A401 HydrophobicContact CZ-CB 3.75Å; A401-I413 HydrophobicContact CB-CG2 3.88Å
402W92.8Very high90.7Very high14 Ų1440.6 Ų40.65%0.05322%0.222CC..  trans-89.8122.2173.9-152.5-58.5000110.7F399 T400 G406 P408 F414 R455 V458 F501F399-W402 HydrophobicContact CD1-CB 3.82Å; F399-W402 AromaticContact CD1-CE3 3.79Å; F399-W402 HydrophobicContact CD1-CE3 3.79Å; F399-W402 HydrophobicContact CE1-CB 3.82Å; F399-W402 HydrophobicContact CE1-CD2 4.31Å; F399-W402 AromaticContact CE1-CE3 3.71Å; F399-W402 HydrophobicContact CE1-CE3 3.71Å; F399-W402 HydrophobicContact CE1-CG 4.41Å; T400-W402 VanDerWaalsContact C-N 3.35Å; T400-W402 PolarHBondContact O-N 2.93Å; W402-G406 PolarHBondContact NE1-O 3.43Å; W402-P408 HydrophobicContact CD2-CG 3.9Å; W402-P408 HydrophobicContact CE3-CG 4.07Å; W402-P408 HydrophobicContact CG-CG 4.18Å; W402-F414 HydrophobicContact CE3-CD2 4.35Å; W402-F414 HydrophobicContact CE3-CE2 4.13Å; W402-F414 HydrophobicContact CZ3-CD2 4.01Å; W402-F414 HydrophobicContact CZ3-CE1 4.33Å; W402-F414 AromaticContact CZ3-CE2 3.6Å; W402-F414 HydrophobicContact CZ3-CE2 3.6Å; W402-F414 AromaticContact CZ3-CZ 3.78Å; W402-F414 HydrophobicContact CZ3-CZ 3.78Å; W402-R455 HydrophobicContact CD2-CB 4.31Å; W402-R455 HydrophobicContact CD2-CG 3.93Å; W402-R455 HydrophobicContact CE3-CB 4.38Å; W402-R455 HydrophobicContact CE3-CG 4.49Å; W402-R455 HydrophobicContact CG-CG 4.34Å; W402-R455 HydrophobicContact CH2-CB 4.17Å; W402-R455 HydrophobicContact CH2-CG 4.39Å; W402-R455 HydrophobicContact CZ2-CB 4.09Å; W402-R455 HydrophobicContact CZ2-CG 3.81Å; W402-R455 HydrophobicContact CZ3-CB 4.31Å; W402-V458 HydrophobicContact CH2-CB 3.84Å; W402-V458 HydrophobicContact CH2-CG1 3.67Å; W402-V458 HydrophobicContact CH2-CG2 4.33Å; W402-F501 HydrophobicContact CH2-CD1 4.38Å; W402-F501 HydrophobicContact CH2-CE1 4.09Å
403P84.5Confident90.6Very high50 Ų5040.9 Ų40.933%0.32522%0.224SC..  trans-70.6154.9-179.929.6-35.8000112.9H405 V407 R455P403-H405 VanDerWaalsContact C-N 3.29Å; P403-H405 WeakPolarHBondContact CB-O 3.2Å; P403-H405 WeakPolarHBondContact CG-O 3.46Å; P403-H405 PolarHBondContact O-N 2.98Å; P403-V407 WeakPolarHBondContact CG-O 3.49Å; P403-R455 PolarHBondContact O-NH2 3.07Å
404D70.8Confident90.7Very high33 Ų3336.6 Ų36.618%0.17620%0.201CC..SBendtrans-56.9-44.5175.8-175.927.7000111.7E341 S342 K346 R455E341-D404 HydrophobicContact CB-CB 3.86Å; E341-D404 WeakPolarHBondContact CB-OD1 3.39Å; S342-D404 WeakPolarHBondContact CB-OD2 3.26Å; S342-D404 PolarHBondContact OG-OD2 3.05Å; K346-D404 VanDerWaalsContact CE-OD1 3.32Å; K346-D404 WeakPolarHBondContact CE-OD1 3.45Å; K346-D404 IonicContact NZ-OD1 3.89Å; K346-D404 PolarHBondContact NZ-OD1 3.15Å; K346-D404 VanDerWaalsContact NZ-OD1 3.08Å; D404-R455 PolarHBondContact O-NH2 3.42Å
405H75.2Confident90.6Very high148 Ų14836.6 Ų36.669%0.68520%0.201SC*.SBendtrans-109.4135.7175.1-61-48.7000111.7P403P403-H405 VanDerWaalsContact C-N 3.29Å; P403-H405 WeakPolarHBondContact CB-O 3.2Å; P403-H405 WeakPolarHBondContact CG-O 3.46Å; P403-H405 PolarHBondContact O-N 2.98Å
406G87.6Confident90.3Very high21 Ų2138.7 Ų38.722%0.21621%0.209CC..SBendtrans80.7-139.4176.100000114.3W402 E497W402-G406 PolarHBondContact NE1-O 3.43Å; G406-E497 WeakPolarHBondContact CA-OE1 3.45Å; G406-E497 VanDerWaalsContact CA-OE2 3.29Å; G406-E497 WeakPolarHBondContact CA-OE2 3.39Å
407V92.7Very high90.2Very high26 Ų2638.8 Ų38.816%0.15821%0.21CC..  trans-132.5160.1-173.3-61.80000111.3P403 S409 E497 Q498 F501P403-V407 WeakPolarHBondContact CG-O 3.49Å; V407-S409 PolarHBondContact O-N 3.17Å; V407-E497 HydrophobicContact CG1-CG 3.99Å; V407-E497 HydrophobicContact CG2-CG 3.92Å; V407-E497 PolarHBondContact N-OE1 3.27Å; V407-Q498 HydrophobicContact CG1-CG 4.02Å; V407-F501 HydrophobicContact CB-CB 3.85Å; V407-F501 HydrophobicContact CB-CD1 4.24Å; V407-F501 HydrophobicContact CB-CD2 3.8Å; V407-F501 HydrophobicContact CB-CE2 4.44Å; V407-F501 HydrophobicContact CB-CG 3.69Å; V407-F501 HydrophobicContact CG1-CB 3.73Å; V407-F501 HydrophobicContact CG1-CD1 4.39Å; V407-F501 HydrophobicContact CG1-CG 3.99Å; V407-F501 HydrophobicContact CG2-CB 3.91Å; V407-F501 HydrophobicContact CG2-CD2 3.77Å; V407-F501 HydrophobicContact CG2-CG 3.98Å
408P92.3Very high90Very high4 Ų438.8 Ų38.83%0.02621%0.21CC..  trans-52.6132.8173.3-26.334.3000111.5F399 W402 R410 F501F399-P408 HydrophobicContact CE1-CG 3.97Å; F399-P408 HydrophobicContact CZ-CG 4.32Å; W402-P408 HydrophobicContact CD2-CG 3.9Å; W402-P408 HydrophobicContact CE3-CG 4.07Å; W402-P408 HydrophobicContact CG-CG 4.18Å; P408-R410 PolarHBondContact O-N 3.08Å; P408-F501 HydrophobicContact CB-CE2 3.92Å; P408-F501 HydrophobicContact CB-CZ 3.8Å; P408-F501 HydrophobicContact CG-CE1 4.22Å; P408-F501 HydrophobicContact CG-CE2 4.19Å; P408-F501 HydrophobicContact CG-CZ 3.67Å; P408-F501 WeakPolarHBondContact O-CE2 3.44Å
409S85.7Confident89.6Confident103 Ų10340.5 Ų40.572%0.7222%0.217SC*.SBendtrans-63.2-19.4-174.669.20000113.8V407V407-S409 PolarHBondContact O-N 3.17Å
410R88.5Confident89.3Confident164 Ų16441.7 Ų41.762%0.61922%0.224SC*.  trans-133.5117.9178.9-65.8-174.1179.197.4-0109.8P408 Q412 I413P408-R410 PolarHBondContact O-N 3.08Å; R410-Q412 PolarHBondContact O-N 2.73Å; R410-Q412 VanDerWaalsContact O-N 3.09Å; R410-I413 HydrophobicContact CB-CD1 4.08Å; R410-I413 HydrophobicContact CB-CG1 4.2Å; R410-I413 PolarHBondContact O-N 3.3Å; R410-I413 VanDerWaalsContact O-N 3.11Å
411P92.5Very high89.2Confident17 Ų1739.2 Ų39.211%0.1121%0.209CC..Hα-helixtrans-54.7-30174.1-26.834.4000113.4I413 F414 L415 F501 Q504 M508P411-I413 VanDerWaalsContact C-N 3.25Å; P411-I413 PolarHBondContact O-N 3.17Å; P411-F414 PolarHBondContact O-N 3.3Å; P411-F414 VanDerWaalsContact O-N 3.09Å; P411-L415 PolarHBondContact O-N 2.82Å; P411-F501 HydrophobicContact CB-CE2 4.31Å; P411-F501 HydrophobicContact CG-CD2 4.42Å; P411-F501 HydrophobicContact CG-CE2 4.15Å; P411-Q504 HydrophobicContact CG-CB 4.18Å; P411-M508 HydrophobicContact CB-CE 4.17Å; P411-M508 HydrophobicContact CB-SD 4.04Å; P411-M508 HydrophobicContact CG-CE 4.38Å
412Q92.5Very high89Confident48 Ų4839.3 Ų39.322%0.22421%0.208CC..Hα-helixtrans-54.4-38177.7179.946.93700113.9R410 L415 E416 M508R410-Q412 PolarHBondContact O-N 2.73Å; R410-Q412 VanDerWaalsContact O-N 3.09Å; Q412-L415 PolarHBondContact O-N 3.24Å; Q412-E416 VanDerWaalsContact NE2-CG 3.34Å; Q412-E416 PolarHBondContact NE2-OE1 2.97Å; Q412-E416 WeakPolarHBondContact O-CG 3.47Å; Q412-E416 PolarHBondContact O-N 3.18Å; Q412-M508 HydrophobicContact CB-SD 3.7Å; Q412-M508 PolarHBondContact N-SD 3.24Å; Q412-M508 VanDerWaalsContact N-SD 3.42Å
413I91.2Very high88.5Confident25 Ų2545.4 Ų45.413%0.12824%0.235CC..Hα-helixtrans-67.3-41.7-179.9-66.3170.6000110.1R375 F399 A401 R410 P411 E416 F417R375-I413 HydrophobicContact CB-CG2 4.49Å; F399-I413 HydrophobicContact CE2-CG2 3.9Å; F399-I413 HydrophobicContact CZ-CG2 3.89Å; A401-I413 HydrophobicContact CB-CG2 3.88Å; R410-I413 HydrophobicContact CB-CD1 4.08Å; R410-I413 HydrophobicContact CB-CG1 4.2Å; R410-I413 PolarHBondContact O-N 3.3Å; R410-I413 VanDerWaalsContact O-N 3.11Å; P411-I413 VanDerWaalsContact C-N 3.25Å; P411-I413 PolarHBondContact O-N 3.17Å; I413-E416 PolarHBondContact O-N 2.82Å; I413-F417 PolarHBondContact O-N 3.3Å
414F94.8Very high88.1Confident0 Ų044.7 Ų44.70%023%0.23CC..Hα-helixtrans-70.6-37.8178.7-167.2-124.5000111.4L336 F399 W402 P411 E416 F417 L418 V458 Y459 V462 F501 T505L336-F414 HydrophobicContact CD2-CE2 4.11Å; F399-F414 HydrophobicContact CD1-CD2 4.21Å; F399-F414 HydrophobicContact CD1-CE2 4.41Å; F399-F414 AromaticContact CE1-CD2 3.83Å; F399-F414 HydrophobicContact CE1-CD2 3.83Å; F399-F414 HydrophobicContact CE1-CE2 4.44Å; F399-F414 HydrophobicContact CE2-CD2 4.3Å; F399-F414 HydrophobicContact CZ-CB 4.4Å; F399-F414 AromaticContact CZ-CD2 3.87Å; F399-F414 HydrophobicContact CZ-CD2 3.87Å; W402-F414 HydrophobicContact CE3-CD2 4.35Å; W402-F414 HydrophobicContact CE3-CE2 4.13Å; W402-F414 HydrophobicContact CZ3-CD2 4.01Å; W402-F414 HydrophobicContact CZ3-CE1 4.33Å; W402-F414 AromaticContact CZ3-CE2 3.6Å; W402-F414 HydrophobicContact CZ3-CE2 3.6Å; W402-F414 AromaticContact CZ3-CZ 3.78Å; W402-F414 HydrophobicContact CZ3-CZ 3.78Å; P411-F414 PolarHBondContact O-N 3.3Å; P411-F414 VanDerWaalsContact O-N 3.09Å; F414-E416 PolarHBondContact O-N 2.99Å; F414-F417 HydrophobicContact CD2-CD1 4.27Å; F414-F417 HydrophobicContact CE2-CD1 4.05Å; F414-F417 WeakPolarHBondContact O-CB 3.38Å; F414-F417 PolarHBondContact O-N 3.24Å; F414-L418 HydrophobicContact CD1-CD1 4.12Å; F414-L418 HydrophobicContact CD1-CG 4.48Å; F414-L418 HydrophobicContact CE1-CD1 3.95Å; F414-L418 HydrophobicContact CE1-CD2 4.37Å; F414-L418 HydrophobicContact CE1-CG 4.31Å; F414-L418 HydrophobicContact CZ-CD2 4.12Å; F414-L418 HydrophobicContact CZ-CG 4.44Å; F414-L418 WeakPolarHBondContact O-CG 3.4Å; F414-L418 PolarHBondContact O-N 3.32Å; F414-V458 HydrophobicContact CE1-CG1 4.4Å; F414-Y459 HydrophobicContact CZ-CD2 4.08Å; F414-V462 HydrophobicContact CE1-CB 4.34Å; F414-V462 HydrophobicContact CE1-CG1 4.43Å; F414-V462 HydrophobicContact CE1-CG2 4.3Å; F414-F501 HydrophobicContact CB-CE1 4.3Å; F414-F501 HydrophobicContact CB-CZ 3.84Å; F414-F501 AromaticContact CD1-CE1 3.85Å; F414-F501 HydrophobicContact CD1-CE1 3.85Å; F414-F501 HydrophobicContact CD1-CZ 4.25Å; F414-F501 HydrophobicContact CE1-CE1 4.49Å; F414-F501 HydrophobicContact CG-CE1 4.18Å; F414-F501 HydrophobicContact CG-CZ 4.23Å; F414-T505 HydrophobicContact CD1-CG2 4.14Å
415L93.1Very high87.9Confident1 Ų145.4 Ų45.41%0.00523%0.231CC..Hα-helixtrans-60.1-41.9172.5-71.9-179000113.1P411 Q412 F417 L418 E419 M466 T505 M508 Y509 K512P411-L415 PolarHBondContact O-N 2.82Å; Q412-L415 PolarHBondContact O-N 3.24Å; L415-F417 VanDerWaalsContact C-N 3.29Å; L415-F417 PolarHBondContact O-N 2.94Å; L415-L418 HydrophobicContact CD2-CD1 4.5Å; L415-L418 PolarHBondContact O-N 3.01Å; L415-E419 WeakPolarHBondContact O-CG 3.49Å; L415-E419 PolarHBondContact O-N 3.35Å; L415-M466 HydrophobicContact CD2-SD 4.12Å; L415-T505 HydrophobicContact CD2-CG2 3.45Å; L415-T505 VanDerWaalsContact CD2-CG2 3.45Å; L415-T505 HydrophobicContact CG-CG2 3.75Å; L415-M508 HydrophobicContact CD1-CB 3.99Å; L415-M508 HydrophobicContact CD1-CG 3.75Å; L415-M508 HydrophobicContact CD1-SD 4.04Å; L415-Y509 HydrophobicContact CD2-CD2 4.12Å; L415-Y509 HydrophobicContact CD2-CG 4.4Å; L415-K512 HydrophobicContact CD1-CD 4.29Å
416E91.6Very high86.8Confident67 Ų6741.5 Ų41.531%0.31322%0.219SC..Hα-helixtrans-60.1-42.2175.5-74.7162.8-164.300111.3R375 Q412 I413 F414 E419 V420R375-E416 IonicContact CZ-OE2 3.97Å; R375-E416 IonicContact NH1-OE1 3.8Å; R375-E416 IonicContact NH1-OE2 2.86Å; R375-E416 PolarHBondContact NH1-OE2 2.77Å; Q412-E416 VanDerWaalsContact NE2-CG 3.34Å; Q412-E416 PolarHBondContact NE2-OE1 2.97Å; Q412-E416 WeakPolarHBondContact O-CG 3.47Å; Q412-E416 PolarHBondContact O-N 3.18Å; I413-E416 PolarHBondContact O-N 2.82Å; F414-E416 PolarHBondContact O-N 2.99Å; E416-E419 PolarHBondContact O-N 2.95Å; E416-V420 WeakPolarHBondContact O-CG2 3.49Å; E416-V420 PolarHBondContact O-N 2.77Å
417F93.8Very high84.9Confident2 Ų247.2 Ų47.21%0.00925%0.245CC..Hα-helixtrans-61.9-46.4174.5176.1-107000112.1V334 L336 Y376 L397 F399 I413 F414 L415 E419 V420 V421V334-F417 HydrophobicContact CG1-CE1 3.87Å; V334-F417 HydrophobicContact CG1-CZ 4Å; L336-F417 HydrophobicContact CD2-CE1 4.06Å; Y376-F417 HydrophobicContact CD1-CD2 4.06Å; Y376-F417 AromaticContact CG-CD2 3.89Å; Y376-F417 HydrophobicContact CG-CD2 3.89Å; Y376-F417 HydrophobicContact CG-CE2 4.23Å; L397-F417 HydrophobicContact CB-CE2 3.75Å; L397-F417 HydrophobicContact CB-CZ 3.82Å; L397-F417 HydrophobicContact CD2-CE2 4.47Å; F399-F417 HydrophobicContact CB-CD1 4.08Å; F399-F417 HydrophobicContact CB-CD2 4.12Å; F399-F417 HydrophobicContact CB-CE1 3.82Å; F399-F417 HydrophobicContact CB-CE2 3.84Å; F399-F417 HydrophobicContact CB-CG 4.22Å; F399-F417 HydrophobicContact CB-CZ 3.69Å; F399-F417 HydrophobicContact CD2-CB 3.63Å; F399-F417 AromaticContact CD2-CD1 3.87Å; F399-F417 HydrophobicContact CD2-CD1 3.87Å; F399-F417 AromaticContact CD2-CD2 3.67Å; F399-F417 HydrophobicContact CD2-CD2 3.67Å; F399-F417 HydrophobicContact CD2-CE1 4.47Å; F399-F417 HydrophobicContact CD2-CE2 4.27Å; F399-F417 AromaticContact CD2-CG 3.43Å; F399-F417 HydrophobicContact CD2-CG 3.43Å; F399-F417 VanDerWaalsContact CD2-CG 3.43Å; F399-F417 HydrophobicContact CE2-CB 3.75Å; F399-F417 HydrophobicContact CE2-CG 4.08Å; F399-F417 HydrophobicContact CG-CD1 4.08Å; F399-F417 HydrophobicContact CG-CD2 4.31Å; F399-F417 HydrophobicContact CG-CE1 4.32Å; F399-F417 HydrophobicContact CG-CG 4.08Å; I413-F417 PolarHBondContact O-N 3.3Å; F414-F417 HydrophobicContact CD2-CD1 4.27Å; F414-F417 HydrophobicContact CE2-CD1 4.05Å; F414-F417 WeakPolarHBondContact O-CB 3.38Å; F414-F417 PolarHBondContact O-N 3.24Å; L415-F417 VanDerWaalsContact C-N 3.29Å; L415-F417 PolarHBondContact O-N 2.94Å; F417-E419 VanDerWaalsContact C-N 3.31Å; F417-E419 PolarHBondContact O-N 3.5Å; F417-V420 WeakPolarHBondContact O-CB 3.31Å; F417-V420 PolarHBondContact O-N 3.47Å; F417-V421 HydrophobicContact CD1-CG2 4.22Å; F417-V421 HydrophobicContact CE1-CG2 3.78Å; F417-V421 HydrophobicContact CE2-CG2 4.24Å; F417-V421 HydrophobicContact CZ-CG2 3.79Å; F417-V421 WeakPolarHBondContact O-CG2 3.46Å; F417-V421 PolarHBondContact O-N 3.23Å
418L92.8Very high82Confident0 Ų051.3 Ų51.30%027%0.266CS..Hα-helixtrans-61.5-38.2177.3-65.4179.9000112.4F414 L415 V420 V421 S422 Y459 V462 M466F414-L418 HydrophobicContact CD1-CD1 4.12Å; F414-L418 HydrophobicContact CD1-CG 4.48Å; F414-L418 HydrophobicContact CE1-CD1 3.95Å; F414-L418 HydrophobicContact CE1-CD2 4.37Å; F414-L418 HydrophobicContact CE1-CG 4.31Å; F414-L418 HydrophobicContact CZ-CD2 4.12Å; F414-L418 HydrophobicContact CZ-CG 4.44Å; F414-L418 WeakPolarHBondContact O-CG 3.4Å; F414-L418 PolarHBondContact O-N 3.32Å; L415-L418 HydrophobicContact CD2-CD1 4.5Å; L415-L418 PolarHBondContact O-N 3.01Å; L418-V420 VanDerWaalsContact C-N 3.26Å; L418-V420 PolarHBondContact O-N 3.05Å; L418-V421 PolarHBondContact O-N 3.44Å; L418-S422 PolarHBondContact O-N 3.08Å; L418-S422 PolarHBondContact O-OG 3.34Å; L418-Y459 HydrophobicContact CD2-CD2 3.48Å; L418-Y459 VanDerWaalsContact CD2-CD2 3.48Å; L418-Y459 HydrophobicContact CD2-CE2 3.29Å; L418-V462 HydrophobicContact CD1-CB 4.32Å; L418-V462 HydrophobicContact CD1-CG1 3.43Å; L418-V462 VanDerWaalsContact CD1-CG1 3.43Å; L418-M466 HydrophobicContact CB-CE 4.37Å; L418-M466 HydrophobicContact CB-SD 4.48Å; L418-M466 HydrophobicContact CD1-CE 4.45Å; L418-M466 HydrophobicContact CD1-SD 3.53Å; L418-M466 VanDerWaalsContact CD1-SD 3.53Å
419E89.2Confident79.3Confident40 Ų4053.7 Ų53.719%0.18728%0.278CS..Hα-helixtrans-62.4-32.4174-74.5-178.5178.300112.4L415 E416 F417 K423 R516L415-E419 WeakPolarHBondContact O-CG 3.49Å; L415-E419 PolarHBondContact O-N 3.35Å; E416-E419 PolarHBondContact O-N 2.95Å; F417-E419 VanDerWaalsContact C-N 3.31Å; F417-E419 PolarHBondContact O-N 3.5Å; E419-K423 WeakPolarHBondContact O-CD 3.39Å; E419-K423 VanDerWaalsContact O-CG 3.26Å; E419-K423 WeakPolarHBondContact O-CG 3.3Å; E419-K423 PolarHBondContact O-N 2.86Å; E419-R516 IonicContact OE1-CZ 3.71Å; E419-R516 IonicContact OE1-NH1 3.88Å; E419-R516 IonicContact OE1-NH2 3.88Å; E419-R516 PolarHBondContact OE1-NH2 2.98Å; E419-R516 IonicContact OE2-NH2 3.46Å
420V90.1Very high76.7Confident26 Ų2654.8 Ų54.816%0.15828%0.275CS..Hα-helixtrans-72.6-44.9174177.60000110.5Y376 L397 E416 F417 L418 S422 K423 V424Y376-V420 HydrophobicContact CE1-CG2 4.02Å; Y376-V420 HydrophobicContact CE2-CG1 4.01Å; L397-V420 HydrophobicContact CD2-CB 4.47Å; L397-V420 HydrophobicContact CD2-CG1 3.7Å; E416-V420 WeakPolarHBondContact O-CG2 3.49Å; E416-V420 PolarHBondContact O-N 2.77Å; F417-V420 WeakPolarHBondContact O-CB 3.31Å; F417-V420 PolarHBondContact O-N 3.47Å; L418-V420 VanDerWaalsContact C-N 3.26Å; L418-V420 PolarHBondContact O-N 3.05Å; V420-S422 VanDerWaalsContact C-N 3.31Å; V420-S422 PolarHBondContact O-N 3.15Å; V420-K423 PolarHBondContact O-N 2.9Å; V420-V424 HydrophobicContact CG1-CG2 4.35Å; V420-V424 WeakPolarHBondContact O-CG2 3.35Å; V420-V424 PolarHBondContact O-N 3.16Å
421V90.5Very high73.9Confident0 Ų054 Ų540%028%0.282CS..Hα-helixtrans-56.7-45.8176.6178.10000111V334 L397 F417 L418 K423 V424 K425 Y459V334-V421 HydrophobicContact CG2-CG1 4.05Å; V334-V421 HydrophobicContact CG2-CG2 4.29Å; L397-V421 HydrophobicContact CB-CG2 4.36Å; L397-V421 HydrophobicContact CD1-CG2 4.34Å; L397-V421 HydrophobicContact CD2-CG2 3.93Å; L397-V421 HydrophobicContact CG-CG2 4.45Å; F417-V421 HydrophobicContact CD1-CG2 4.22Å; F417-V421 HydrophobicContact CE1-CG2 3.78Å; F417-V421 HydrophobicContact CE2-CG2 4.24Å; F417-V421 HydrophobicContact CZ-CG2 3.79Å; F417-V421 WeakPolarHBondContact O-CG2 3.46Å; F417-V421 PolarHBondContact O-N 3.23Å; L418-V421 PolarHBondContact O-N 3.44Å; V421-K423 VanDerWaalsContact C-N 3.27Å; V421-K423 PolarHBondContact O-N 3.44Å; V421-V424 PolarHBondContact O-N 3.17Å; V421-K425 PolarHBondContact O-N 3.23Å; V421-K425 VanDerWaalsContact O-N 3.15Å; V421-Y459 WeakPolarHBondContact CG1-OH 3.45Å
422S86.2Confident70.8Confident37 Ų3757.9 Ų57.926%0.25931%0.308SS..Hα-helixtrans-62.9-28.6176.9-68.70000113.9L418 V420L418-S422 PolarHBondContact O-N 3.08Å; L418-S422 PolarHBondContact O-OG 3.34Å; V420-S422 VanDerWaalsContact C-N 3.31Å; V420-S422 PolarHBondContact O-N 3.15Å
423K82.1Confident67.8Low141 Ų14158.6 Ų58.661%0.61332%0.319SS*.Hα-helixtrans-81.6-27.9177.4-73.1169.2-173.41710113.5E419 V420 V421E419-K423 WeakPolarHBondContact O-CD 3.39Å; E419-K423 VanDerWaalsContact O-CG 3.26Å; E419-K423 WeakPolarHBondContact O-CG 3.3Å; E419-K423 PolarHBondContact O-N 2.86Å; V420-K423 PolarHBondContact O-N 2.9Å; V421-K423 VanDerWaalsContact C-N 3.27Å; V421-K423 PolarHBondContact O-N 3.44Å
424V77.4Confident65Low36 Ų3663.4 Ų63.422%0.21836%0.355CS..Hα-helixtrans-79.7-30.6179.51690000111.2L378 T395 L397 V420 V421 P426L378-V424 HydrophobicContact CD1-CG2 4.06Å; T395-V424 HydrophobicContact CG2-CG1 3.53Å; L397-V424 HydrophobicContact CD1-CB 4.43Å; L397-V424 HydrophobicContact CD1-CG1 4.16Å; L397-V424 HydrophobicContact CD2-CG2 4.21Å; V420-V424 HydrophobicContact CG1-CG2 4.35Å; V420-V424 WeakPolarHBondContact O-CG2 3.35Å; V420-V424 PolarHBondContact O-N 3.16Å; V421-V424 PolarHBondContact O-N 3.17Å; V424-P426 VanDerWaalsContact O-CD 3.26Å; V424-P426 WeakPolarHBondContact O-CD 3.23Å; V424-P426 VanDerWaalsContact O-N 3.13Å
425K67.4Low62.2Low48 Ų4867.3 Ų67.321%0.20938%0.379CS..SBendtrans-54.7120.2170.9-80.4-167.2170.4-157.60109.1V421 D427 T445V421-K425 PolarHBondContact O-N 3.23Å; V421-K425 VanDerWaalsContact O-N 3.15Å; K425-D427 PolarHBondContact O-N 2.9Å; K425-D427 VanDerWaalsContact O-N 3.15Å; K425-T445 WeakPolarHBondContact CE-OG1 3.39Å; K425-T445 PolarHBondContact NZ-OG1 3.5Å
426P50.9Low59.4Low66 Ų6671 Ų7143%0.42942%0.417SS..  trans-67.9114.1177.8-14.627.6000109.4V424 N428 L429V424-P426 VanDerWaalsContact O-CD 3.26Å; V424-P426 WeakPolarHBondContact O-CD 3.23Å; V424-P426 VanDerWaalsContact O-N 3.13Å; P426-N428 PolarHBondContact O-N 2.88Å; P426-L429 HydrophobicContact CB-CD1 4.15Å; P426-L429 HydrophobicContact CB-CG 4.33Å; P426-L429 HydrophobicContact CG-CD1 3.95Å
427D48.3Very low57.1Low141 Ų14172.8 Ų72.875%0.75443%0.429SS*.THydrogen-bonded Turntrans-57.5-16172.1-68.6-32.2000112.5K425K425-D427 PolarHBondContact O-N 2.9Å; K425-D427 VanDerWaalsContact O-N 3.15Å
428N31.5Very low54.5Low112 Ų11279.7 Ų79.760%0.59947%0.466SS*.THydrogen-bonded Turntrans-100.210.2-168.2-68.9-22.6000115.6P426 L430 L431P426-N428 PolarHBondContact O-N 2.88Å; N428-L430 PolarHBondContact O-N 2.82Å; N428-L431 PolarHBondContact O-N 3.19Å; N428-L431 VanDerWaalsContact O-N 3.07Å
429L35.2Very low52.3Low54 Ų5484.1 Ų84.128%0.28349%0.493SS..THydrogen-bonded Turntrans-70.3-11-179.3-87.9158.1000114.5H331 P426 L431 P443H331-L429 HydrophobicContact CB-CD1 4.5Å; H331-L429 VanDerWaalsContact CD2-CD1 3.49Å; H331-L429 WeakPolarHBondContact CD2-CD1 3.41Å; P426-L429 HydrophobicContact CB-CD1 4.15Å; P426-L429 HydrophobicContact CB-CG 4.33Å; P426-L429 HydrophobicContact CG-CD1 3.95Å; L429-L431 PolarHBondContact O-N 3.25Å; L429-P443 HydrophobicContact CD1-CG 3.84Å
430L31.9Very low50.4Low125 Ų12584.9 Ų84.965%0.65451%0.511SS*.THydrogen-bonded Turntrans-69.7-16167.3-78.3169.2000113.8N428N428-L430 PolarHBondContact O-N 2.82Å
431L28.9Very low49Very low149 Ų14989.9 Ų89.978%0.7853%0.531SS*.SBendtrans-112-6.5-172.3-74.9166.4000115.1N428 L429N428-L431 PolarHBondContact O-N 3.19Å; N428-L431 VanDerWaalsContact O-N 3.07Å; L429-L431 PolarHBondContact O-N 3.25Å
432C27.6Very low48.2Very low97 Ų9795.7 Ų95.766%0.65556%0.558SS**  trans-117.719.9-169.8-650000116.2S434C432-S434 PolarHBondContact O-N 2.9Å
433S29.8Very low48.2Very low63 Ų6395.6 Ų95.644%0.44156%0.557SS.*  trans-94.677.6166.860.70000111.1T435S433-T435 PolarHBondContact O-N 2.81Å
434S32.6Very low48.7Very low126 Ų12689.7 Ų89.788%0.88153%0.533SS*.  trans-71.56.2164.637.10000113.4C432C432-S434 PolarHBondContact O-N 2.9Å
435T35.6Very low49.6Very low83 Ų8388.1 Ų88.151%0.50952%0.524SS..SBendtrans-106.6107.9165.6580000107.9S433 D437S433-T435 PolarHBondContact O-N 2.81Å; T435-D437 PolarHBondContact O-N 3.14Å
436G34.7Very low51Low79 Ų7985.9 Ų85.981%0.81451%0.514SS*.  trans-66.152.2-169.400000117D438G436-D438 VanDerWaalsContact C-N 3.32Å; G436-D438 PolarHBondContact O-N 3.36Å
437D42Very low53.3Low104 Ų10482.7 Ų82.756%0.55649%0.493SS*.  trans-95.475.9161.6-154.63.5000108.2T435 T439T435-D437 PolarHBondContact O-N 3.14Å; D437-T439 PolarHBondContact O-N 3.45Å
438D39.4Very low55.7Low146 Ų14676 Ų7678%0.78146%0.457SS*.  trans-79.161.5-166.2-161.617.4000111.1G436G436-D438 VanDerWaalsContact C-N 3.32Å; G436-D438 PolarHBondContact O-N 3.36Å
439T46.4Very low58.8Low93 Ų9371 Ų7157%0.57143%0.431SS*.  trans-78.5-10.6171.760.70000112.3D437 K441D437-T439 PolarHBondContact O-N 3.45Å; T439-K441 WeakPolarHBondContact O-CG 3.48Å; T439-K441 PolarHBondContact O-N 2.97Å
440G49.8Very low61.7Low56 Ų5669 Ų6958%0.57742%0.421SS*.  trans59.54.2-176.700000114.6
441K61.8Low64.7Low131 Ų13163.6 Ų63.657%0.5740%0.395SS*.PPolyproline II helixtrans-97.1134.6-174.2-73.3178.7-176.1-167.50110.2T439T439-K441 WeakPolarHBondContact O-CG 3.48Å; T439-K441 PolarHBondContact O-N 2.97Å
442E73Confident68Low122 Ų12256.5 Ų56.557%0.5736%0.358SS*.PPolyproline II helixtrans-58.2137.4171.1-71-17317400110.4
443P86Confident71.3Confident36 Ų3651.9 Ų51.923%0.23433%0.326CS..PPolyproline II helixtrans-61.4143.2177.222.1-29.3000110.8R329 L429R329-P443 VanDerWaalsContact O-CB 3.22Å; R329-P443 WeakPolarHBondContact O-CB 3.27Å; L429-P443 HydrophobicContact CD1-CG 3.84Å
444P93.6Very high74.5Confident16 Ų1648.9 Ų48.910%0.10431%0.305CS..PPolyproline II helixtrans-68.2150-175.328.4-34.4000111.6H306 I308 Q328 V330H306-P444 HydrophobicContact CB-CB 4.32Å; H306-P444 WeakPolarHBondContact O-CA 3.47Å; I308-P444 HydrophobicContact CD1-CB 4.2Å; I308-P444 HydrophobicContact CD1-CG 3.67Å; I308-P444 HydrophobicContact CG1-CB 4.02Å; I308-P444 HydrophobicContact CG1-CG 4.03Å; Q328-P444 HydrophobicContact CB-CG 4.26Å; V330-P444 HydrophobicContact CG2-CG 4.26Å
445T94.9Very high77.6Confident4 Ų443.8 Ų43.83%0.02527%0.267CS..EExtended strand (participates in β ladder)trans-87.6126167.2-57.60000109.7H306 W307 I308 T332 V334 K425 V447H306-T445 PolarHBondContact O-N 2.89Å; W307-T445 VanDerWaalsContact CA-O 3.26Å; W307-T445 WeakPolarHBondContact CA-O 3.31Å; W307-T445 WeakPolarHBondContact CB-O 3.48Å; I308-T445 PolarHBondContact N-O 3.37Å; T332-T445 HydrophobicContact CG2-CG2 4.08Å; V334-T445 HydrophobicContact CG2-CG2 3.94Å; K425-T445 WeakPolarHBondContact CE-OG1 3.39Å; K425-T445 PolarHBondContact NZ-OG1 3.5Å; T445-V447 HydrophobicContact CG2-CG2 4.11Å
446V98.4Very high80.5Confident0 Ų039.9 Ų39.90%024%0.243CC..EExtended strand (participates in β ladder)trans-76.6130.1171.2168.60000108.7I308 T310 F321 M324 V325 V330 T332 I333 V334I308-V446 HydrophobicContact CB-CG2 3.94Å; I308-V446 HydrophobicContact CD1-CG2 4.24Å; I308-V446 HydrophobicContact CG2-CG2 4.24Å; I308-V446 CarbonylContact O-C 3.59Å; I308-V446 WeakPolarHBondContact O-CA 3.43Å; T310-V446 HydrophobicContact CG2-CG1 3.91Å; F321-V446 HydrophobicContact CE2-CG1 3.98Å; F321-V446 HydrophobicContact CZ-CG1 4.12Å; M324-V446 HydrophobicContact CE-CG1 4.32Å; M324-V446 HydrophobicContact CE-CG2 4.04Å; V325-V446 HydrophobicContact CG2-CG2 4.45Å; V330-V446 HydrophobicContact CB-CG2 4.19Å; V330-V446 HydrophobicContact CG1-CB 4.04Å; V330-V446 HydrophobicContact CG1-CG2 3.63Å; V330-V446 HydrophobicContact CG2-CG2 3.65Å; T332-V446 PolarHBondContact O-N 3.14Å; I333-V446 CarbonylContact C-O 3.6Å; I333-V446 WeakPolarHBondContact CA-O 3.37Å; I333-V446 HydrophobicContact CG1-CB 4.24Å; I333-V446 HydrophobicContact CG2-CG1 4.22Å; V334-V446 PolarHBondContact N-O 2.85Å
447V98.5Very high83.6Confident0 Ų036.1 Ų36.10%020%0.204CC..EExtended strand (participates in β ladder)trans-130125.3177.5-169.90000108.8W307 I308 A309 T310 V334 L336 T445 T456 Y459W307-V447 HydrophobicContact CG-CG2 4.31Å; I308-V447 PolarHBondContact O-N 3.24Å; A309-V447 WeakPolarHBondContact CA-O 3.26Å; T310-V447 PolarHBondContact N-O 2.88Å; V334-V447 HydrophobicContact CB-CG1 4.22Å; V334-V447 HydrophobicContact CB-CG2 4.31Å; V334-V447 HydrophobicContact CG1-CG1 4.3Å; V334-V447 WeakPolarHBondContact O-CA 2.95Å; L336-V447 HydrophobicContact CD1-CG1 3.81Å; T445-V447 HydrophobicContact CG2-CG2 4.11Å; V447-T456 HydrophobicContact CB-CG2 4.02Å; V447-T456 HydrophobicContact CG1-CG2 3.82Å; V447-Y459 HydrophobicContact CB-CD1 4.3Å; V447-Y459 HydrophobicContact CG1-CD1 3.61Å; V447-Y459 HydrophobicContact CG1-CE1 4.2Å; V447-Y459 HydrophobicContact CG1-CG 3.99Å; V447-Y459 HydrophobicContact CG2-CD1 3.73Å; V447-Y459 HydrophobicContact CG2-CE1 3.55Å
448H98.6Very high86.3Confident0 Ų031.1 Ų31.10%018%0.178CC..EExtended strand (participates in β ladder)trans-140.5159.5176.578.890.9000112.2T310 V334 M335 L336 Y350T310-H448 HydrophobicContact CG2-CB 3.68Å; T310-H448 WeakPolarHBondContact O-CA 3.42Å; T310-H448 WeakPolarHBondContact O-CB 3.32Å; V334-H448 PolarHBondContact O-N 3.37Å; M335-H448 WeakPolarHBondContact CB-NE2 3.43Å; M335-H448 WeakPolarHBondContact CG-CE1 3.39Å; L336-H448 PolarHBondContact N-O 3.47Å; Y350-H448 AromaticContact CE1-CE1 3.63Å; Y350-H448 AromaticContact CE1-NE2 3.41Å; Y350-H448 WeakPolarHBondContact CE1-NE2 3.18Å; Y350-H448 AromaticContact CZ-NE2 3.46Å; Y350-H448 PolarHBondContact OH-NE2 3.01Å
449C96.2Very high89Confident6 Ų624.2 Ų24.24%0.04114%0.14CC..  trans-129.8-131164.753.40000106.2G312 L336 T337 G452 R455 T456G312-C449 VanDerWaalsContact CA-O 3.26Å; G312-C449 WeakPolarHBondContact CA-O 3.28Å; G312-C449 PolarHBondContact N-O 3.11Å; G312-C449 VanDerWaalsContact N-O 3.14Å; L336-C449 HydrophobicContact CB-CB 4.12Å; T337-C449 WeakPolarHBondContact CG2-O 3.29Å; C449-G452 PolarHBondContact SG-N 3.31Å; C449-R455 HydrophobicContact CB-CB 3.9Å; C449-R455 HydrophobicContact CB-CG 4.41Å; C449-T456 PolarHBondContact N-OG1 3.02Å; C449-T456 PolarHBondContact SG-OG1 3.3Å
450S96.1Very high91.5Very high12 Ų1219.8 Ų19.88%0.08411%0.113CC..SBendtrans-80.5-65169.5-179.90000111.9Y266 G312 K346Y266-S450 WeakPolarHBondContact CE2-OG 3.39Å; Y266-S450 PolarHBondContact OH-OG 2.99Å; G312-S450 PolarHBondContact N-O 2.7Å; K346-S450 WeakPolarHBondContact O-CA 3.01Å; K346-S450 PolarHBondContact O-OG 3.03Å
451A95.2Very high93.8Very high12 Ų1217.1 Ų17.110%0.0999%0.086CC..SBendtrans-84.1-15.2179.800000113.6Y266 V269 I453 R489Y266-A451 HydrophobicContact CD2-CB 3.62Å; Y266-A451 HydrophobicContact CE2-CB 3.65Å; V269-A451 HydrophobicContact CG1-CB 4.24Å; V269-A451 WeakPolarHBondContact CG1-O 3.47Å; V269-A451 HydrophobicContact CG2-CB 4.19Å; A451-I453 HydrophobicContact CB-CD1 4.43Å; A451-I453 HydrophobicContact CB-CG1 3.85Å; A451-R489 PolarHBondContact O-NH2 3.43Å
452G97.6Very high95.5Very high0 Ų010.9 Ų10.90%06%0.059CC..SBendtrans75.224.7-176.700000114.7T310 C449 T456 R489T310-G452 WeakPolarHBondContact O-CA 3.48Å; C449-G452 PolarHBondContact SG-N 3.31Å; G452-T456 WeakPolarHBondContact CA-OG1 3.02Å; G452-R489 WeakPolarHBondContact O-CD 3.34Å; G452-R489 PolarHBondContact O-NE 3.35Å
453I97.8Very high96.5Very high0 Ų05.6 Ų5.60%03%0.034CC..SBendtrans-134.2-43.6-174.660.7166.8000114V269 A451 G457 R489 M490 M492 V493 Q494V269-I453 HydrophobicContact CB-CD1 4.43Å; V269-I453 HydrophobicContact CG1-CD1 3.83Å; V269-I453 HydrophobicContact CG1-CG1 4.11Å; V269-I453 HydrophobicContact CG1-CG2 3.59Å; V269-I453 HydrophobicContact CG2-CD1 3.69Å; A451-I453 HydrophobicContact CB-CD1 4.43Å; A451-I453 HydrophobicContact CB-CG1 3.85Å; I453-G457 WeakPolarHBondContact O-CA 3.38Å; I453-G457 PolarHBondContact O-N 3.49Å; I453-G457 VanDerWaalsContact O-N 3.09Å; I453-R489 HydrophobicContact CG2-CG 4.08Å; I453-M490 WeakPolarHBondContact CG2-O 3.41Å; I453-M492 HydrophobicContact CB-SD 4.47Å; I453-M492 VanDerWaalsContact O-CA 3.29Å; I453-M492 WeakPolarHBondContact O-CA 3.39Å; I453-V493 PolarHBondContact O-N 3.11Å; I453-Q494 HydrophobicContact CD1-CG 4.1Å; I453-Q494 VanDerWaalsContact CD1-NE2 3.33Å; I453-Q494 HydrophobicContact CG1-CG 4.14Å
454G96.4Very high96.9Very high0 Ų04 Ų40%02%0.023CC..Hα-helixtrans-72-82.2-17900000113T456 G457 V458G454-T456 VanDerWaalsContact C-N 3.28Å; G454-T456 PolarHBondContact O-N 3.09Å; G454-G457 PolarHBondContact O-N 3.05Å; G454-V458 PolarHBondContact O-N 2.91Å
455R97.3Very high97Very high20 Ų203.2 Ų3.28%0.0752%0.018CC..Hα-helixtrans-60.6-38-180-53178.6-176.3156.25.4111.9L336 T337 E341 W402 P403 D404 C449 G457 V458 Y459L336-R455 HydrophobicContact CB-CB 3.95Å; L336-R455 HydrophobicContact CD1-CB 4.25Å; L336-R455 WeakPolarHBondContact CD1-O 3.33Å; L336-R455 WeakPolarHBondContact O-CD 3.29Å; L336-R455 PolarHBondContact O-NH1 3.48Å; T337-R455 PolarHBondContact OG1-NH1 2.98Å; E341-R455 IonicContact OE1-CZ 3.48Å; E341-R455 IonicContact OE1-NH1 3.91Å; E341-R455 PolarHBondContact OE1-NH1 3.29Å; E341-R455 IonicContact OE1-NH2 2.95Å; E341-R455 IonicContact OE2-CZ 3.27Å; E341-R455 IonicContact OE2-NH1 2.75Å; E341-R455 PolarHBondContact OE2-NH1 3.4Å; E341-R455 IonicContact OE2-NH2 3.46Å; E341-R455 PolarHBondContact OE2-NH2 3.48Å; W402-R455 HydrophobicContact CD2-CB 4.31Å; W402-R455 HydrophobicContact CD2-CG 3.93Å; W402-R455 HydrophobicContact CE3-CB 4.38Å; W402-R455 HydrophobicContact CE3-CG 4.49Å; W402-R455 HydrophobicContact CG-CG 4.34Å; W402-R455 HydrophobicContact CH2-CB 4.17Å; W402-R455 HydrophobicContact CH2-CG 4.39Å; W402-R455 HydrophobicContact CZ2-CB 4.09Å; W402-R455 HydrophobicContact CZ2-CG 3.81Å; W402-R455 HydrophobicContact CZ3-CB 4.31Å; P403-R455 PolarHBondContact O-NH2 3.07Å; D404-R455 PolarHBondContact O-NH2 3.42Å; C449-R455 HydrophobicContact CB-CB 3.9Å; C449-R455 HydrophobicContact CB-CG 4.41Å; R455-G457 VanDerWaalsContact C-N 3.34Å; R455-G457 PolarHBondContact O-N 3.47Å; R455-V458 PolarHBondContact O-N 2.89Å; R455-Y459 PolarHBondContact O-N 2.93Å
456T98.2Very high96.9Very high0 Ų03.2 Ų3.20%02%0.018CC..Hα-helixtrans-55.7-46.5171.4-59.10000112A309 V447 C449 G452 G454 V458 Y459 I460 M492A309-T456 HydrophobicContact CB-CG2 3.8Å; V447-T456 HydrophobicContact CB-CG2 4.02Å; V447-T456 HydrophobicContact CG1-CG2 3.82Å; C449-T456 PolarHBondContact N-OG1 3.02Å; C449-T456 PolarHBondContact SG-OG1 3.3Å; G452-T456 WeakPolarHBondContact CA-OG1 3.02Å; G454-T456 VanDerWaalsContact C-N 3.28Å; G454-T456 PolarHBondContact O-N 3.09Å; T456-V458 VanDerWaalsContact C-N 3.35Å; T456-V458 PolarHBondContact O-N 3.32Å; T456-Y459 PolarHBondContact O-N 2.97Å; T456-I460 HydrophobicContact CG2-CD1 4.38Å; T456-I460 WeakPolarHBondContact O-CG1 3.37Å; T456-I460 PolarHBondContact O-N 2.88Å; T456-I460 VanDerWaalsContact O-N 3.11Å; T456-M492 HydrophobicContact CG2-CE 4.37Å
457G98.3Very high96.5Very high0 Ų05.4 Ų5.40%03%0.026CC..Hα-helixtrans-63.6-39.4176.100000113I453 G454 R455 I460 L461 M492 V493I453-G457 WeakPolarHBondContact O-CA 3.38Å; I453-G457 PolarHBondContact O-N 3.49Å; I453-G457 VanDerWaalsContact O-N 3.09Å; G454-G457 PolarHBondContact O-N 3.05Å; R455-G457 VanDerWaalsContact C-N 3.34Å; R455-G457 PolarHBondContact O-N 3.47Å; G457-I460 PolarHBondContact O-N 3.17Å; G457-L461 WeakPolarHBondContact O-CB 3.43Å; G457-L461 PolarHBondContact O-N 2.81Å; G457-M492 VanDerWaalsContact CA-CE 3.42Å; G457-V493 VanDerWaalsContact C-CG2 3.45Å
458V98.1Very high96.2Very high0 Ų06.1 Ų6.10%03%0.03CC..Hα-helixtrans-63.2-45.5175.9176.20000111.2W402 F414 G454 R455 T456 I460 L461 V462 V493 Q498 F501 A502W402-V458 HydrophobicContact CH2-CB 3.84Å; W402-V458 HydrophobicContact CH2-CG1 3.67Å; W402-V458 HydrophobicContact CH2-CG2 4.33Å; F414-V458 HydrophobicContact CE1-CG1 4.4Å; G454-V458 PolarHBondContact O-N 2.91Å; R455-V458 PolarHBondContact O-N 2.89Å; T456-V458 VanDerWaalsContact C-N 3.35Å; T456-V458 PolarHBondContact O-N 3.32Å; V458-I460 PolarHBondContact O-N 2.96Å; V458-L461 PolarHBondContact O-N 3.16Å; V458-V462 HydrophobicContact CG1-CG2 4.07Å; V458-V462 WeakPolarHBondContact O-CB 3.25Å; V458-V462 VanDerWaalsContact O-CG2 3.26Å; V458-V462 WeakPolarHBondContact O-CG2 3.26Å; V458-V462 PolarHBondContact O-N 2.86Å; V458-V493 HydrophobicContact CG2-CG1 4.36Å; V458-V493 HydrophobicContact CG2-CG2 4.27Å; V458-Q498 HydrophobicContact CG2-CB 3.64Å; V458-Q498 HydrophobicContact CG2-CG 4.06Å; V458-F501 HydrophobicContact CG1-CD1 3.95Å; V458-F501 HydrophobicContact CG1-CE1 4.3Å; V458-A502 HydrophobicContact CG1-CB 4.1Å
459Y98.1Very high95.8Very high0 Ų06.2 Ų6.20%03%0.03CC..Hα-helixtrans-56.5-51.2176.9171.2-86.5000111.7W307 V334 L336 F414 L418 V421 V447 R455 T456 L461 V462 F463W307-Y459 AromaticContact NE1-CE1 3.75Å; V334-Y459 HydrophobicContact CB-CE2 4.44Å; V334-Y459 HydrophobicContact CG1-CD2 3.93Å; V334-Y459 HydrophobicContact CG1-CE2 3.78Å; V334-Y459 HydrophobicContact CG1-CG 4.5Å; V334-Y459 HydrophobicContact CG2-CE2 4.15Å; L336-Y459 HydrophobicContact CD1-CG 4.15Å; L336-Y459 HydrophobicContact CD2-CD2 4.47Å; F414-Y459 HydrophobicContact CZ-CD2 4.08Å; L418-Y459 HydrophobicContact CD2-CD2 3.48Å; L418-Y459 VanDerWaalsContact CD2-CD2 3.48Å; L418-Y459 HydrophobicContact CD2-CE2 3.29Å; V421-Y459 WeakPolarHBondContact CG1-OH 3.45Å; V447-Y459 HydrophobicContact CB-CD1 4.3Å; V447-Y459 HydrophobicContact CG1-CD1 3.61Å; V447-Y459 HydrophobicContact CG1-CE1 4.2Å; V447-Y459 HydrophobicContact CG1-CG 3.99Å; V447-Y459 HydrophobicContact CG2-CD1 3.73Å; V447-Y459 HydrophobicContact CG2-CE1 3.55Å; R455-Y459 PolarHBondContact O-N 2.93Å; T456-Y459 PolarHBondContact O-N 2.97Å; Y459-L461 PolarHBondContact O-N 3.42Å; Y459-V462 PolarHBondContact O-N 3.48Å; Y459-F463 WeakPolarHBondContact O-CB 3.25Å; Y459-F463 PolarHBondContact O-N 3.43Å
460I97.7Very high95.4Very high0 Ų08 Ų80%04%0.038CC..Hα-helixtrans-64.6-44.1-178.4-64-178.2000110.6V294 V296 W307 A309 T456 G457 V458 F463 A464 L485 M492V294-I460 HydrophobicContact CB-CD1 4.37Å; V294-I460 HydrophobicContact CG1-CD1 4.08Å; V294-I460 HydrophobicContact CG1-CG2 4.48Å; V296-I460 HydrophobicContact CG2-CG2 4.09Å; W307-I460 HydrophobicContact CB-CD1 3.91Å; W307-I460 HydrophobicContact CD2-CD1 4.18Å; W307-I460 HydrophobicContact CD2-CG1 4.1Å; W307-I460 HydrophobicContact CD2-CG2 4.11Å; W307-I460 HydrophobicContact CE3-CD1 4.46Å; W307-I460 HydrophobicContact CE3-CG2 3.76Å; W307-I460 HydrophobicContact CG-CD1 3.96Å; W307-I460 HydrophobicContact CG-CG1 4.12Å; W307-I460 HydrophobicContact CH2-CG2 3.97Å; W307-I460 HydrophobicContact CZ2-CG2 4.35Å; W307-I460 HydrophobicContact CZ3-CG2 3.7Å; A309-I460 HydrophobicContact CB-CD1 4.46Å; T456-I460 HydrophobicContact CG2-CD1 4.38Å; T456-I460 WeakPolarHBondContact O-CG1 3.37Å; T456-I460 PolarHBondContact O-N 2.88Å; T456-I460 VanDerWaalsContact O-N 3.11Å; G457-I460 PolarHBondContact O-N 3.17Å; V458-I460 PolarHBondContact O-N 2.96Å; I460-F463 PolarHBondContact O-N 3.18Å; I460-A464 WeakPolarHBondContact O-CB 3.47Å; I460-A464 PolarHBondContact O-N 3.33Å; I460-L485 HydrophobicContact CG2-CD1 4.22Å; I460-L485 HydrophobicContact CG2-CD2 3.59Å; I460-M492 HydrophobicContact CD1-CE 3.78Å
461L98.1Very high94.9Very high0 Ų08.6 Ų8.60%04%0.044CC..Hα-helixtrans-59.9-49.6178.117862.8000111.7G457 V458 Y459 A464 L465 L481 V482 L485 V493 F499 A502G457-L461 WeakPolarHBondContact O-CB 3.43Å; G457-L461 PolarHBondContact O-N 2.81Å; V458-L461 PolarHBondContact O-N 3.16Å; Y459-L461 PolarHBondContact O-N 3.42Å; L461-A464 PolarHBondContact O-N 3.37Å; L461-L465 HydrophobicContact CD1-CD1 3.71Å; L461-L465 HydrophobicContact CD1-CG 4.11Å; L461-L465 HydrophobicContact CG-CD1 3.71Å; L461-L465 HydrophobicContact CG-CG 4.48Å; L461-L465 WeakPolarHBondContact O-CB 3.29Å; L461-L465 WeakPolarHBondContact O-CD1 3.46Å; L461-L465 WeakPolarHBondContact O-CG 3.45Å; L461-L465 PolarHBondContact O-N 3.25Å; L461-L481 HydrophobicContact CD1-CB 3.64Å; L461-L481 HydrophobicContact CD1-CD1 4.01Å; L461-V482 HydrophobicContact CD1-CG2 4.23Å; L461-V482 HydrophobicContact CD2-CG2 3.65Å; L461-L485 HydrophobicContact CB-CD1 4.18Å; L461-V493 HydrophobicContact CB-CG2 4.49Å; L461-V493 HydrophobicContact CD2-CG2 4.1Å; L461-F499 HydrophobicContact CD2-CD2 4.2Å; L461-F499 HydrophobicContact CD2-CE2 4.4Å; L461-A502 HydrophobicContact CD2-CB 3.7Å; L461-A502 HydrophobicContact CG-CB 4.29Å
462V97.6Very high94.5Very high0 Ų010.7 Ų10.70%05%0.054CC..Hα-helixtrans-62.8-44.8179.7172.60000110.6F414 L418 V458 Y459 A464 L465 M466 A502 T505 V506F414-V462 HydrophobicContact CE1-CB 4.34Å; F414-V462 HydrophobicContact CE1-CG1 4.43Å; F414-V462 HydrophobicContact CE1-CG2 4.3Å; L418-V462 HydrophobicContact CD1-CB 4.32Å; L418-V462 HydrophobicContact CD1-CG1 3.43Å; L418-V462 VanDerWaalsContact CD1-CG1 3.43Å; V458-V462 HydrophobicContact CG1-CG2 4.07Å; V458-V462 WeakPolarHBondContact O-CB 3.25Å; V458-V462 VanDerWaalsContact O-CG2 3.26Å; V458-V462 WeakPolarHBondContact O-CG2 3.26Å; V458-V462 PolarHBondContact O-N 2.86Å; Y459-V462 PolarHBondContact O-N 3.48Å; V462-A464 PolarHBondContact O-N 2.83Å; V462-L465 PolarHBondContact O-N 2.82Å; V462-M466 HydrophobicContact CG1-CG 4.26Å; V462-M466 HydrophobicContact CG1-SD 3.76Å; V462-M466 WeakPolarHBondContact O-CB 3.47Å; V462-M466 WeakPolarHBondContact O-CG 3.3Å; V462-M466 PolarHBondContact O-N 3.47Å; V462-A502 HydrophobicContact CG2-CB 3.69Å; V462-T505 HydrophobicContact CG1-CG2 3.65Å; V462-T505 HydrophobicContact CG2-CG2 4.31Å; V462-V506 HydrophobicContact CB-CG2 4.49Å; V462-V506 HydrophobicContact CG1-CG2 4.18Å; V462-V506 HydrophobicContact CG2-CG2 4.47Å
463F95Very high93.9Very high12 Ų1211.7 Ų11.75%0.0536%0.059CC..Hα-helixtrans-61.5-45.6179.9-163.4-77.6000111.7M305 W307 Y459 I460 M466 R467M305-F463 HydrophobicContact SD-CD1 3.77Å; M305-F463 HydrophobicContact SD-CE1 3.98Å; W307-F463 HydrophobicContact CH2-CD1 4.38Å; W307-F463 HydrophobicContact CZ2-CB 4.22Å; W307-F463 AromaticContact CZ2-CD1 3.73Å; W307-F463 HydrophobicContact CZ2-CD1 3.73Å; W307-F463 HydrophobicContact CZ2-CE1 4.44Å; W307-F463 HydrophobicContact CZ2-CG 4.14Å; Y459-F463 WeakPolarHBondContact O-CB 3.25Å; Y459-F463 PolarHBondContact O-N 3.43Å; I460-F463 PolarHBondContact O-N 3.18Å; F463-M466 WeakPolarHBondContact O-CB 3.35Å; F463-M466 PolarHBondContact O-N 3.38Å; F463-R467 HydrophobicContact CD1-CG 4.09Å; F463-R467 HydrophobicContact CE1-CG 3.91Å; F463-R467 PolarHBondContact O-N 3Å
464A93.6Very high93.3Very high1 Ų113.2 Ų13.21%0.0087%0.072CC..Hα-helixtrans-61.4-47.5177.100000111.9V296 M305 I460 L461 V462 M466 R467 M468V296-A464 HydrophobicContact CB-CB 4.39Å; V296-A464 HydrophobicContact CG1-CB 3.86Å; V296-A464 HydrophobicContact CG2-CB 4.45Å; M305-A464 HydrophobicContact CE-CB 4.12Å; I460-A464 WeakPolarHBondContact O-CB 3.47Å; I460-A464 PolarHBondContact O-N 3.33Å; L461-A464 PolarHBondContact O-N 3.37Å; V462-A464 PolarHBondContact O-N 2.83Å; A464-M466 VanDerWaalsContact C-N 3.3Å; A464-M466 PolarHBondContact O-N 3.31Å; A464-R467 WeakPolarHBondContact O-CB 3.11Å; A464-R467 PolarHBondContact O-N 3.32Å; A464-R467 VanDerWaalsContact O-N 3.16Å; A464-M468 WeakPolarHBondContact O-CG 3.46Å; A464-M468 PolarHBondContact O-N 2.75Å
465L95.4Very high92.9Very high0 Ų020.8 Ų20.80%010%0.1CC..Hα-helixtrans-62.8-36.4177.4-71.3168.7000112.3L461 V462 M468 I469 L476 P478 L481 V506L461-L465 HydrophobicContact CD1-CD1 3.71Å; L461-L465 HydrophobicContact CD1-CG 4.11Å; L461-L465 HydrophobicContact CG-CD1 3.71Å; L461-L465 HydrophobicContact CG-CG 4.48Å; L461-L465 WeakPolarHBondContact O-CB 3.29Å; L461-L465 WeakPolarHBondContact O-CD1 3.46Å; L461-L465 WeakPolarHBondContact O-CG 3.45Å; L461-L465 PolarHBondContact O-N 3.25Å; V462-L465 PolarHBondContact O-N 2.82Å; L465-M468 HydrophobicContact CD2-SD 4.41Å; L465-M468 PolarHBondContact O-N 2.85Å; L465-I469 WeakPolarHBondContact O-CG1 3.31Å; L465-I469 PolarHBondContact O-N 3.46Å; L465-L476 HydrophobicContact CD2-CB 3.64Å; L465-L476 HydrophobicContact CD2-CG 4.5Å; L465-P478 HydrophobicContact CD1-CB 4.08Å; L465-P478 HydrophobicContact CD2-CB 4.3Å; L465-L481 HydrophobicContact CD2-CD1 3.6Å; L465-L481 HydrophobicContact CG-CD1 3.89Å; L465-V506 HydrophobicContact CB-CB 4.3Å; L465-V506 HydrophobicContact CB-CG1 3.86Å; L465-V506 HydrophobicContact CB-CG2 3.45Å; L465-V506 VanDerWaalsContact CB-CG2 3.45Å; L465-V506 HydrophobicContact CD1-CG2 3.73Å; L465-V506 HydrophobicContact CG-CG2 4.23Å
466M93Very high92.7Very high4 Ų420.1 Ų20.12%0.0210%0.098CC..Hα-helixtrans-60-52.3171.7-73.9168.755.500110.1L415 L418 V462 F463 A464 M468 I469 E470 Y509L415-M466 HydrophobicContact CD2-SD 4.12Å; L418-M466 HydrophobicContact CB-CE 4.37Å; L418-M466 HydrophobicContact CB-SD 4.48Å; L418-M466 HydrophobicContact CD1-CE 4.45Å; L418-M466 HydrophobicContact CD1-SD 3.53Å; L418-M466 VanDerWaalsContact CD1-SD 3.53Å; V462-M466 HydrophobicContact CG1-CG 4.26Å; V462-M466 HydrophobicContact CG1-SD 3.76Å; V462-M466 WeakPolarHBondContact O-CB 3.47Å; V462-M466 WeakPolarHBondContact O-CG 3.3Å; V462-M466 PolarHBondContact O-N 3.47Å; F463-M466 WeakPolarHBondContact O-CB 3.35Å; F463-M466 PolarHBondContact O-N 3.38Å; A464-M466 VanDerWaalsContact C-N 3.3Å; A464-M466 PolarHBondContact O-N 3.31Å; M466-M468 VanDerWaalsContact C-N 3.29Å; M466-M468 PolarHBondContact O-N 3.25Å; M466-I469 WeakPolarHBondContact O-CA 3.39Å; M466-I469 WeakPolarHBondContact O-CB 3.45Å; M466-I469 PolarHBondContact O-N 3.4Å; M466-E470 VanDerWaalsContact O-CG 3.27Å; M466-E470 WeakPolarHBondContact O-CG 3.5Å; M466-E470 PolarHBondContact O-N 2.88Å; M466-Y509 HydrophobicContact CB-CD1 3.99Å; M466-Y509 HydrophobicContact CB-CE1 3.97Å; M466-Y509 HydrophobicContact CE-CD2 3.86Å; M466-Y509 HydrophobicContact CE-CE1 4.45Å; M466-Y509 HydrophobicContact CE-CE2 3.72Å; M466-Y509 HydrophobicContact CE-CG 4.33Å; M466-Y509 HydrophobicContact CG-CD1 3.64Å; M466-Y509 HydrophobicContact CG-CD2 4.25Å; M466-Y509 HydrophobicContact CG-CE1 4.06Å; M466-Y509 HydrophobicContact CG-CG 3.75Å; M466-Y509 HydrophobicContact SD-CD2 4.39Å; M466-Y509 HydrophobicContact SD-CG 4.41Å
467R90.6Very high92.4Very high46 Ų4621.2 Ų21.217%0.17411%0.107CC..Hα-helixtrans-55.3-42.8176.7-70-53.398.5-169.8-6.7112.3I298 M305 F463 A464 I469 E470 A471I298-R467 HydrophobicContact CD1-CB 3.71Å; M305-R467 HydrophobicContact CE-CB 4.16Å; M305-R467 HydrophobicContact CE-CG 4.08Å; M305-R467 HydrophobicContact SD-CB 4.14Å; M305-R467 HydrophobicContact SD-CG 3.4Å; M305-R467 WeakPolarHBondContact SD-CG 3.35Å; F463-R467 HydrophobicContact CD1-CG 4.09Å; F463-R467 HydrophobicContact CE1-CG 3.91Å; F463-R467 PolarHBondContact O-N 3Å; A464-R467 WeakPolarHBondContact O-CB 3.11Å; A464-R467 PolarHBondContact O-N 3.32Å; A464-R467 VanDerWaalsContact O-N 3.16Å; R467-I469 VanDerWaalsContact C-N 3.33Å; R467-I469 PolarHBondContact O-N 2.88Å; R467-E470 IonicContact CZ-OE1 2.88Å; R467-E470 IonicContact CZ-OE2 3.73Å; R467-E470 IonicContact NE-OE2 3.76Å; R467-E470 IonicContact NH1-OE1 3.76Å; R467-E470 IonicContact NH1-OE2 2.73Å; R467-E470 PolarHBondContact NH1-OE2 3.5Å; R467-E470 IonicContact NH2-OE1 3.46Å; R467-E470 PolarHBondContact NH2-OE1 3.29Å; R467-E470 IonicContact NH2-OE2 3.95Å; R467-E470 PolarHBondContact NH2-OE2 2.91Å; R467-E470 VanDerWaalsContact NH2-OE2 3.1Å; R467-E470 CarbonylContact O-C 3.47Å; R467-E470 WeakPolarHBondContact O-CA 3.41Å; R467-E470 WeakPolarHBondContact O-CB 3.35Å; R467-E470 PolarHBondContact O-N 2.92Å; R467-A471 WeakPolarHBondContact O-CB 3.47Å; R467-A471 PolarHBondContact O-N 3.23Å
468M91.6Very high92.3Very high16 Ų1621.3 Ų21.38%0.07911%0.107CC..Hα-helixtrans-61.4-38.3176.4-67178.280.300113I298 A464 L465 M466 E470 A471 N472 L473 R475 L476 L481I298-M468 HydrophobicContact CD1-CG 3.61Å; I298-M468 HydrophobicContact CG1-CG 4.03Å; I298-M468 HydrophobicContact CG2-CG 4.28Å; A464-M468 WeakPolarHBondContact O-CG 3.46Å; A464-M468 PolarHBondContact O-N 2.75Å; L465-M468 HydrophobicContact CD2-SD 4.41Å; L465-M468 PolarHBondContact O-N 2.85Å; M466-M468 VanDerWaalsContact C-N 3.29Å; M466-M468 PolarHBondContact O-N 3.25Å; M468-E470 VanDerWaalsContact C-N 3.3Å; M468-A471 CarbonylContact O-C 3.6Å; M468-A471 PolarHBondContact O-N 2.89Å; M468-N472 PolarHBondContact O-N 3.27Å; M468-L473 HydrophobicContact CB-CB 4.45Å; M468-L473 HydrophobicContact CB-CD1 4.13Å; M468-L473 HydrophobicContact CE-CD1 3.87Å; M468-L473 HydrophobicContact CG-CD1 4.1Å; M468-L473 WeakPolarHBondContact O-CB 3.49Å; M468-L473 PolarHBondContact O-N 3.45Å; M468-R475 WeakPolarHBondContact CE-O 3.28Å; M468-L476 HydrophobicContact CB-CD2 3.5Å; M468-L476 VanDerWaalsContact CB-CD2 3.5Å; M468-L476 HydrophobicContact CE-CD2 4.42Å; M468-L476 HydrophobicContact SD-CD2 4.42Å; M468-L481 HydrophobicContact SD-CD1 3.87Å
469I90.5Very high92.2Very high1 Ų121.7 Ų21.71%0.00511%0.11CC..Hα-helixtrans-64.2-37.9170.6-71.6177.5000110.5V220 L465 M466 R467 A471 N472 L476 V506 Y509V220-I469 HydrophobicContact CG1-CG2 4.23Å; V220-I469 HydrophobicContact CG2-CG2 4.26Å; L465-I469 WeakPolarHBondContact O-CG1 3.31Å; L465-I469 PolarHBondContact O-N 3.46Å; M466-I469 WeakPolarHBondContact O-CA 3.39Å; M466-I469 WeakPolarHBondContact O-CB 3.45Å; M466-I469 PolarHBondContact O-N 3.4Å; R467-I469 VanDerWaalsContact C-N 3.33Å; R467-I469 PolarHBondContact O-N 2.88Å; I469-A471 VanDerWaalsContact C-N 3.33Å; I469-N472 PolarHBondContact O-N 2.92Å; I469-N472 VanDerWaalsContact O-N 3.11Å; I469-L476 HydrophobicContact CD1-CD1 4.06Å; I469-L476 HydrophobicContact CG1-CD1 3.86Å; I469-L476 HydrophobicContact CG1-CD2 4.02Å; I469-V506 HydrophobicContact CD1-CG1 3.48Å; I469-V506 VanDerWaalsContact CD1-CG1 3.48Å; I469-V506 HydrophobicContact CG1-CG1 4.48Å; I469-Y509 HydrophobicContact CD1-CD1 4.41Å; I469-Y509 HydrophobicContact CG2-CD1 4.34Å; I469-Y509 HydrophobicContact CG2-CE1 4.36Å
470E86.8Confident92.1Very high44 Ų4426.4 Ų26.421%0.20613%0.132CC..Hα-helixtrans-68.3-35178.3-52.1-163.1171.700113.6M466 R467 M468 N472 Y509 R513M466-E470 VanDerWaalsContact O-CG 3.27Å; M466-E470 WeakPolarHBondContact O-CG 3.5Å; M466-E470 PolarHBondContact O-N 2.88Å; R467-E470 IonicContact CZ-OE1 2.88Å; R467-E470 IonicContact CZ-OE2 3.73Å; R467-E470 IonicContact NE-OE2 3.76Å; R467-E470 IonicContact NH1-OE1 3.76Å; R467-E470 IonicContact NH1-OE2 2.73Å; R467-E470 PolarHBondContact NH1-OE2 3.5Å; R467-E470 IonicContact NH2-OE1 3.46Å; R467-E470 PolarHBondContact NH2-OE1 3.29Å; R467-E470 IonicContact NH2-OE2 3.95Å; R467-E470 PolarHBondContact NH2-OE2 2.91Å; R467-E470 VanDerWaalsContact NH2-OE2 3.1Å; R467-E470 CarbonylContact O-C 3.47Å; R467-E470 WeakPolarHBondContact O-CA 3.41Å; R467-E470 WeakPolarHBondContact O-CB 3.35Å; R467-E470 PolarHBondContact O-N 2.92Å; M468-E470 VanDerWaalsContact C-N 3.3Å; E470-N472 PolarHBondContact O-N 2.83Å; E470-Y509 HydrophobicContact CG-CE1 4.17Å; E470-Y509 PolarHBondContact OE1-OH 3.25Å; E470-R513 VanDerWaalsContact CA-CZ 3.49Å; E470-R513 PolarHBondContact O-NH2 2.72Å
471A85.3Confident92Very high25 Ų2527.6 Ų27.621%0.20714%0.138CC..THydrogen-bonded Turntrans-73.93.8170.700000113.5V301 R467 M468 I469 L473V301-A471 HydrophobicContact CB-CB 4.38Å; V301-A471 HydrophobicContact CG1-CB 3.59Å; V301-A471 HydrophobicContact CG2-CB 3.94Å; R467-A471 WeakPolarHBondContact O-CB 3.47Å; R467-A471 PolarHBondContact O-N 3.23Å; M468-A471 CarbonylContact O-C 3.6Å; M468-A471 PolarHBondContact O-N 2.89Å; I469-A471 VanDerWaalsContact C-N 3.33Å; A471-L473 HydrophobicContact CB-CD2 4.39Å; A471-L473 HydrophobicContact CB-CG 3.98Å; A471-L473 PolarHBondContact O-N 3.4Å
472N86.9Confident92Very high56 Ų5627.6 Ų27.630%0.29914%0.138SC..THydrogen-bonded Turntrans59.730.5177.2-56.5-45.9000113.8I216 S219 M468 I469 E470I216-N472 WeakPolarHBondContact CG2-OD1 3.42Å; S219-N472 WeakPolarHBondContact OG-CB 3.29Å; S219-N472 PolarHBondContact OG-OD1 3.1Å; M468-N472 PolarHBondContact O-N 3.27Å; I469-N472 PolarHBondContact O-N 2.92Å; I469-N472 VanDerWaalsContact O-N 3.11Å; E470-N472 PolarHBondContact O-N 2.83Å
473L86.5Confident92Very high20 Ų2032.7 Ų32.711%0.10516%0.16CC..  trans-77.4127.1-178.8-58-170.9000111.6S223 I298 E300 M468 A471 R475S223-L473 VanDerWaalsContact CB-O 3.24Å; S223-L473 WeakPolarHBondContact CB-O 3.31Å; I298-L473 HydrophobicContact CG2-CD1 3.4Å; I298-L473 VanDerWaalsContact CG2-CD1 3.4Å; E300-L473 HydrophobicContact CB-CD1 4.08Å; E300-L473 HydrophobicContact CB-CD2 3.5Å; E300-L473 VanDerWaalsContact CB-CD2 3.5Å; E300-L473 HydrophobicContact CB-CG 4.46Å; E300-L473 HydrophobicContact CG-CD1 4.26Å; E300-L473 HydrophobicContact CG-CD2 3.94Å; M468-L473 HydrophobicContact CB-CB 4.45Å; M468-L473 HydrophobicContact CB-CD1 4.13Å; M468-L473 HydrophobicContact CE-CD1 3.87Å; M468-L473 HydrophobicContact CG-CD1 4.1Å; M468-L473 WeakPolarHBondContact O-CB 3.49Å; M468-L473 PolarHBondContact O-N 3.45Å; A471-L473 HydrophobicContact CB-CD2 4.39Å; A471-L473 HydrophobicContact CB-CG 3.98Å; A471-L473 PolarHBondContact O-N 3.4Å; L473-R475 VanDerWaalsContact C-N 3.32Å; L473-R475 PolarHBondContact O-N 2.83Å
474A84.6Confident92.1Very high33 Ų3334.4 Ų34.427%0.27317%0.174SC..SBendtrans-71-24.1-177.400000113.9L222 R226L222-A474 HydrophobicContact CD2-CB 3.74Å; L222-A474 HydrophobicContact CG-CB 4.26Å; R226-A474 VanDerWaalsContact CD-O 3.32Å; R226-A474 WeakPolarHBondContact CD-O 3.46Å
475R88.5Confident92.3Very high159 Ų15934.4 Ų34.460%0.617%0.173SC*.  trans-122.8124-179.8-174178.3-174.5175.7-1.4109.4M468 L473 A477M468-R475 WeakPolarHBondContact CE-O 3.28Å; L473-R475 VanDerWaalsContact C-N 3.32Å; L473-R475 PolarHBondContact O-N 2.83Å; R475-A477 HydrophobicContact CG-CB 4.34Å
476L91.4Very high92.4Very high6 Ų635.3 Ų35.33%0.03118%0.177CC..  trans-100-26.2-176.9-60.6-179.3000113.6L227 L465 M468 I469 V506L227-L476 HydrophobicContact CB-CD1 4.48Å; L227-L476 HydrophobicContact CD2-CD1 3.97Å; L465-L476 HydrophobicContact CD2-CB 3.64Å; L465-L476 HydrophobicContact CD2-CG 4.5Å; M468-L476 HydrophobicContact CB-CD2 3.5Å; M468-L476 VanDerWaalsContact CB-CD2 3.5Å; M468-L476 HydrophobicContact CE-CD2 4.42Å; M468-L476 HydrophobicContact SD-CD2 4.42Å; I469-L476 HydrophobicContact CD1-CD1 4.06Å; I469-L476 HydrophobicContact CG1-CD1 3.86Å; I469-L476 HydrophobicContact CG1-CD2 4.02Å; L476-V506 HydrophobicContact CD1-CG1 4Å
477A92.6Very high92.7Very high23 Ų2337.1 Ų37.119%0.1919%0.19CC..  trans43.956.5173.600000115.4R475 V479 E480 L481R475-A477 HydrophobicContact CG-CB 4.34Å; A477-V479 VanDerWaalsContact C-N 3.26Å; A477-V479 PolarHBondContact O-N 2.83Å; A477-V479 VanDerWaalsContact O-N 3.15Å; A477-E480 HydrophobicContact CB-CB 4.29Å; A477-E480 HydrophobicContact CB-CG 4.38Å; A477-E480 PolarHBondContact O-N 3.34Å; A477-E480 VanDerWaalsContact O-N 3.08Å; A477-L481 PolarHBondContact O-N 3.42Å
478P96.1Very high93Very high1 Ų136.2 Ų36.21%0.00619%0.188CC..Hα-helixtrans-59.4-31.7-172.825.8-36.8000114L227 M236 L465 L481 V482 F499L227-P478 HydrophobicContact CD1-CG 3.86Å; M236-P478 HydrophobicContact CE-CG 4.04Å; M236-P478 HydrophobicContact SD-CG 3.65Å; L465-P478 HydrophobicContact CD1-CB 4.08Å; L465-P478 HydrophobicContact CD2-CB 4.3Å; P478-L481 PolarHBondContact O-N 2.76Å; P478-V482 WeakPolarHBondContact O-CG2 3.39Å; P478-V482 PolarHBondContact O-N 2.77Å; P478-F499 HydrophobicContact CB-CE2 3.93Å; P478-F499 HydrophobicContact CB-CZ 3.99Å; P478-F499 HydrophobicContact CG-CE2 4.47Å; P478-F499 HydrophobicContact CG-CZ 4.02Å
479V96.5Very high93.3Very high8 Ų835.5 Ų35.55%0.04818%0.184CC..Hα-helixtrans-65.1-43.9177-179.60000111.4M236 Q239 F240 L243 A477 L481 V482 K483 F499M236-V479 HydrophobicContact CG-CG2 3.37Å; M236-V479 HydrophobicContact SD-CG2 4.35Å; Q239-V479 HydrophobicContact CB-CG1 3.98Å; Q239-V479 HydrophobicContact CB-CG2 4.38Å; F240-V479 HydrophobicContact CB-CG2 4.45Å; L243-V479 HydrophobicContact CD1-CG1 3.83Å; L243-V479 HydrophobicContact CD2-CG1 4.2Å; L243-V479 HydrophobicContact CG-CG1 4.09Å; A477-V479 VanDerWaalsContact C-N 3.26Å; A477-V479 PolarHBondContact O-N 2.83Å; A477-V479 VanDerWaalsContact O-N 3.15Å; V479-L481 VanDerWaalsContact C-N 3.32Å; V479-L481 PolarHBondContact O-N 3.2Å; V479-V482 PolarHBondContact O-N 2.92Å; V479-K483 PolarHBondContact O-N 2.84Å; V479-F499 HydrophobicContact CG2-CE1 4.36Å; V479-F499 HydrophobicContact CG2-CE2 4.35Å; V479-F499 HydrophobicContact CG2-CZ 3.63Å
480E95.6Very high93.7Very high99 Ų9936 Ų3646%0.46319%0.186SC..Hα-helixtrans-68-35.6178.6-62.6-56.6149.700111.2A477 K483 S484A477-E480 HydrophobicContact CB-CB 4.29Å; A477-E480 HydrophobicContact CB-CG 4.38Å; A477-E480 PolarHBondContact O-N 3.34Å; A477-E480 VanDerWaalsContact O-N 3.08Å; E480-K483 WeakPolarHBondContact O-CB 3.22Å; E480-K483 PolarHBondContact O-N 2.75Å; E480-K483 WeakPolarHBondContact OE2-CD 3.4Å; E480-K483 IonicContact OE2-NZ 3.1Å; E480-S484 WeakPolarHBondContact O-CB 3.43Å; E480-S484 PolarHBondContact O-N 2.94Å
481L96.7Very high94.1Very high25 Ų2534 Ų3413%0.13118%0.178CC..Hα-helixtrans-61.4-46.5170.7-73.1175.9000111.4V296 L461 L465 M468 A477 P478 V479 K483 S484 L485V296-L481 HydrophobicContact CG1-CD2 3.93Å; L461-L481 HydrophobicContact CD1-CB 3.64Å; L461-L481 HydrophobicContact CD1-CD1 4.01Å; L465-L481 HydrophobicContact CD2-CD1 3.6Å; L465-L481 HydrophobicContact CG-CD1 3.89Å; M468-L481 HydrophobicContact SD-CD1 3.87Å; A477-L481 PolarHBondContact O-N 3.42Å; P478-L481 PolarHBondContact O-N 2.76Å; V479-L481 VanDerWaalsContact C-N 3.32Å; V479-L481 PolarHBondContact O-N 3.2Å; L481-K483 VanDerWaalsContact C-N 3.29Å; L481-K483 PolarHBondContact O-N 3.38Å; L481-S484 WeakPolarHBondContact O-CB 3.19Å; L481-S484 PolarHBondContact O-N 2.95Å; L481-L485 VanDerWaalsContact O-CG 3.3Å; L481-L485 WeakPolarHBondContact O-CG 3.07Å; L481-L485 PolarHBondContact O-N 2.86Å
482V98.1Very high94.7Very high0 Ų032.8 Ų32.80%017%0.168CC..Hα-helixtrans-59.7-41.9175.3172.70000111.3F240 L243 L461 P478 V479 S484 L485 R486 V493 F499F240-V482 HydrophobicContact CD2-CG1 4.19Å; F240-V482 HydrophobicContact CE2-CG1 3.98Å; L243-V482 HydrophobicContact CD1-CB 4Å; L243-V482 HydrophobicContact CD1-CG1 3.74Å; L461-V482 HydrophobicContact CD1-CG2 4.23Å; L461-V482 HydrophobicContact CD2-CG2 3.65Å; P478-V482 WeakPolarHBondContact O-CG2 3.39Å; P478-V482 PolarHBondContact O-N 2.77Å; V479-V482 PolarHBondContact O-N 2.92Å; V482-S484 VanDerWaalsContact C-N 3.34Å; V482-S484 PolarHBondContact O-N 3.14Å; V482-L485 PolarHBondContact O-N 3.32Å; V482-R486 HydrophobicContact CG1-CG 4.24Å; V482-R486 WeakPolarHBondContact O-CB 3.08Å; V482-R486 WeakPolarHBondContact O-CG 3.43Å; V482-R486 PolarHBondContact O-N 2.98Å; V482-V493 HydrophobicContact CG1-CB 4.39Å; V482-V493 HydrophobicContact CG2-CB 4.3Å; V482-V493 HydrophobicContact CG2-CG2 4.11Å; V482-F499 HydrophobicContact CG2-CD2 3.92Å; V482-F499 HydrophobicContact CG2-CE2 3.92Å
483K97.2Very high95.3Very high107 Ų10730.1 Ų30.147%0.46515%0.153SC..Hα-helixtrans-58.8-45.5175.8-174.3-176.1176.7-174.40111.5L243 V479 E480 L481 R486 S487L243-K483 HydrophobicContact CD1-CB 4.23Å; L243-K483 HydrophobicContact CD2-CB 3.84Å; L243-K483 HydrophobicContact CD2-CD 4.12Å; L243-K483 HydrophobicContact CD2-CG 4Å; V479-K483 PolarHBondContact O-N 2.84Å; E480-K483 WeakPolarHBondContact O-CB 3.22Å; E480-K483 PolarHBondContact O-N 2.75Å; E480-K483 WeakPolarHBondContact OE2-CD 3.4Å; E480-K483 IonicContact OE2-NZ 3.1Å; L481-K483 VanDerWaalsContact C-N 3.29Å; L481-K483 PolarHBondContact O-N 3.38Å; K483-R486 PolarHBondContact O-N 2.86Å; K483-S487 PolarHBondContact O-N 3.03Å
484S96.7Very high95.7Very high48 Ų4833.2 Ų33.234%0.33617%0.167SC..Hα-helixtrans-64.2-38.7175.3179.70000112.9E480 L481 V482 S487 Q488E480-S484 WeakPolarHBondContact O-CB 3.43Å; E480-S484 PolarHBondContact O-N 2.94Å; L481-S484 WeakPolarHBondContact O-CB 3.19Å; L481-S484 PolarHBondContact O-N 2.95Å; V482-S484 VanDerWaalsContact C-N 3.34Å; V482-S484 PolarHBondContact O-N 3.14Å; S484-S487 PolarHBondContact O-N 3.5Å; S484-S487 PolarHBondContact O-OG 2.96Å; S484-Q488 PolarHBondContact O-N 3.33Å; S484-Q488 PolarHBondContact O-NE2 3.26Å
485L98.2Very high96.1Very high1 Ų134.4 Ų34.41%0.00517%0.172CC..Hα-helixtrans-65.3-44.6173.9-67.2177000110.9V294 V296 I460 L461 L481 V482 S487 Q488 R489 M492V294-L485 HydrophobicContact CG1-CD2 3.55Å; V296-L485 HydrophobicContact CG2-CD2 3.78Å; I460-L485 HydrophobicContact CG2-CD1 4.22Å; I460-L485 HydrophobicContact CG2-CD2 3.59Å; L461-L485 HydrophobicContact CB-CD1 4.18Å; L481-L485 VanDerWaalsContact O-CG 3.3Å; L481-L485 WeakPolarHBondContact O-CG 3.07Å; L481-L485 PolarHBondContact O-N 2.86Å; V482-L485 PolarHBondContact O-N 3.32Å; L485-S487 PolarHBondContact O-N 3.24Å; L485-Q488 PolarHBondContact O-N 2.76Å; L485-R489 PolarHBondContact O-N 3.45Å; L485-M492 HydrophobicContact CB-CB 3.72Å; L485-M492 HydrophobicContact CB-CE 4.41Å; L485-M492 HydrophobicContact CB-CG 4.05Å; L485-M492 HydrophobicContact CD1-CE 4.48Å; L485-M492 HydrophobicContact CD2-CE 4.44Å
486R97.9Very high96.4Very high19 Ų1930.4 Ų30.47%0.07216%0.16CC..Hα-helixtrans-64.8-24.8177.2-73.5-174-175.1174.56.1113L243 P244 Y272 V482 K483 Q488 R489 M492 V493L243-R486 VanDerWaalsContact CB-NH1 3.31Å; L243-R486 PolarHBondContact O-NH1 3.03Å; P244-R486 WeakPolarHBondContact O-CD 3.35Å; P244-R486 PolarHBondContact O-NH1 2.91Å; Y272-R486 PolarHBondContact OH-O 3.39Å; Y272-R486 VanDerWaalsContact OH-O 3.09Å; V482-R486 HydrophobicContact CG1-CG 4.24Å; V482-R486 WeakPolarHBondContact O-CB 3.08Å; V482-R486 WeakPolarHBondContact O-CG 3.43Å; V482-R486 PolarHBondContact O-N 2.98Å; K483-R486 PolarHBondContact O-N 2.86Å; R486-Q488 VanDerWaalsContact C-N 3.29Å; R486-R489 VanDerWaalsContact CA-O 3.29Å; R486-R489 WeakPolarHBondContact CA-O 3.44Å; R486-M492 HydrophobicContact CG-CB 4.08Å; R486-M492 PolarHBondContact NE-O 3.21Å; R486-V493 PolarHBondContact NH2-O 3.18Å
487S97.6Very high96.6Very high42 Ų4234.8 Ų34.829%0.29418%0.18SC..Hα-helixtrans-73.6-23173.465.50000113.9T247 Y272 Y274 K483 S484 L485T247-S487 WeakPolarHBondContact OG1-CA 3.43Å; T247-S487 WeakPolarHBondContact OG1-CB 3.26Å; Y272-S487 WeakPolarHBondContact CD2-O 3.41Å; Y272-S487 VanDerWaalsContact CE2-O 3.24Å; Y272-S487 WeakPolarHBondContact CE2-O 3.45Å; Y274-S487 PolarHBondContact OH-O 3.31Å; K483-S487 PolarHBondContact O-N 3.03Å; S484-S487 PolarHBondContact O-N 3.5Å; S484-S487 PolarHBondContact O-OG 2.96Å; L485-S487 PolarHBondContact O-N 3.24Å
488Q98.1Very high96.8Very high28 Ų2834.5 Ų34.513%0.13118%0.175CC..Hα-helixtrans-99.5-30.6-180-63.3177.374.600113.3Y272 Y274 N275 V294 T295 S484 L485 R486Y272-Q488 WeakPolarHBondContact CD2-O 3.36Å; Y274-Q488 WeakPolarHBondContact OH-CA 3.29Å; N275-Q488 PolarHBondContact ND2-O 3.32Å; N275-Q488 PolarHBondContact OD1-O 3.05Å; V294-Q488 HydrophobicContact CG2-CB 4.4Å; T295-Q488 PolarHBondContact O-NE2 2.84Å; T295-Q488 PolarHBondContact O-OE1 3.33Å; S484-Q488 PolarHBondContact O-N 3.33Å; S484-Q488 PolarHBondContact O-NE2 3.26Å; L485-Q488 PolarHBondContact O-N 2.76Å; R486-Q488 VanDerWaalsContact C-N 3.29Å
489R98.2Very high96.8Very high1 Ų134.4 Ų34.40%0.00417%0.174CC..SBendtrans-147.4126.8170.2-172.3173.2176.977.71.7108.6N290 S292 V294 A309 A451 G452 I453 L485 R486 M492N290-R489 PolarHBondContact OD1-NH1 3.05Å; N290-R489 PolarHBondContact OD1-NH2 3.1Å; S292-R489 PolarHBondContact OG-NH1 2.81Å; S292-R489 VanDerWaalsContact OG-NH1 3.14Å; V294-R489 HydrophobicContact CG2-CB 4.29Å; A309-R489 PolarHBondContact O-NH1 2.95Å; A451-R489 PolarHBondContact O-NH2 3.43Å; G452-R489 WeakPolarHBondContact O-CD 3.34Å; G452-R489 PolarHBondContact O-NE 3.35Å; I453-R489 HydrophobicContact CG2-CG 4.08Å; L485-R489 PolarHBondContact O-N 3.45Å; R486-R489 VanDerWaalsContact CA-O 3.29Å; R486-R489 WeakPolarHBondContact CA-O 3.44Å; R489-M492 HydrophobicContact CB-CG 4.06Å; R489-M492 HydrophobicContact CB-SD 4.35Å; R489-M492 WeakPolarHBondContact O-CG 3.18Å
490M97.3Very high96.8Very high10 Ų1035.9 Ų35.95%0.04918%0.182CC..THydrogen-bonded Turntrans-57.6148-175.266.1176.9-61.400112.7R245 Q246 F252 N268 Y272 I453 M492R245-M490 HydrophobicContact CG-CE 4.46Å; R245-M490 CarbonylContact O-C 3.55Å; Q246-M490 HydrophobicContact CB-CB 3.91Å; F252-M490 HydrophobicContact CE1-SD 4.09Å; F252-M490 HydrophobicContact CZ-SD 4.13Å; N268-M490 WeakPolarHBondContact O-CE 3.44Å; Y272-M490 HydrophobicContact CE1-CB 4.49Å; Y272-M490 WeakPolarHBondContact OH-CB 3.21Å; I453-M490 WeakPolarHBondContact CG2-O 3.41Å; M490-M492 PolarHBondContact O-N 2.94Å; M490-M492 VanDerWaalsContact O-N 3.16Å
491G96.6Very high96.8Very high2 Ų231.3 Ų31.32%0.02116%0.16CC..THydrogen-bonded Turntrans67.216167.900000115.6R245 V493 Q494R245-G491 PolarHBondContact O-N 3.44Å; G491-V493 PolarHBondContact O-N 2.72Å; G491-Q494 VanDerWaalsContact O-CG 3.25Å; G491-Q494 WeakPolarHBondContact O-CG 3.36Å
492M98.3Very high96.8Very high0 Ų030.1 Ų30.10%015%0.154CC..SBendtrans-55127.2172.8-69.5-69.7-85.200110.4I453 T456 G457 I460 L485 R486 R489 M490I453-M492 HydrophobicContact CB-SD 4.47Å; I453-M492 VanDerWaalsContact O-CA 3.29Å; I453-M492 WeakPolarHBondContact O-CA 3.39Å; T456-M492 HydrophobicContact CG2-CE 4.37Å; G457-M492 VanDerWaalsContact CA-CE 3.42Å; I460-M492 HydrophobicContact CD1-CE 3.78Å; L485-M492 HydrophobicContact CB-CB 3.72Å; L485-M492 HydrophobicContact CB-CE 4.41Å; L485-M492 HydrophobicContact CB-CG 4.05Å; L485-M492 HydrophobicContact CD1-CE 4.48Å; L485-M492 HydrophobicContact CD2-CE 4.44Å; R486-M492 HydrophobicContact CG-CB 4.08Å; R486-M492 PolarHBondContact NE-O 3.21Å; R489-M492 HydrophobicContact CB-CG 4.06Å; R489-M492 HydrophobicContact CB-SD 4.35Å; R489-M492 WeakPolarHBondContact O-CG 3.18Å; M490-M492 PolarHBondContact O-N 2.94Å; M490-M492 VanDerWaalsContact O-N 3.16Å
493V97.8Very high96.7Very high0 Ų030.1 Ų30.10%015%0.154CC..SBendtrans56.598.3-168.7-172.50000111F240 I453 G457 V458 L461 V482 R486 G491 Q498 F499F240-V493 HydrophobicContact CE2-CB 4.24Å; F240-V493 HydrophobicContact CE2-CG1 3.81Å; F240-V493 HydrophobicContact CZ-CG1 3.96Å; I453-V493 PolarHBondContact O-N 3.11Å; G457-V493 VanDerWaalsContact C-CG2 3.45Å; V458-V493 HydrophobicContact CG2-CG1 4.36Å; V458-V493 HydrophobicContact CG2-CG2 4.27Å; L461-V493 HydrophobicContact CB-CG2 4.49Å; L461-V493 HydrophobicContact CD2-CG2 4.1Å; V482-V493 HydrophobicContact CG1-CB 4.39Å; V482-V493 HydrophobicContact CG2-CB 4.3Å; V482-V493 HydrophobicContact CG2-CG2 4.11Å; R486-V493 PolarHBondContact NH2-O 3.18Å; G491-V493 PolarHBondContact O-N 2.72Å; V493-Q498 HydrophobicContact CG1-CB 3.98Å; V493-F499 HydrophobicContact CG1-CB 3.88Å; V493-F499 HydrophobicContact CG1-CD2 4.45Å
494Q94.8Very high96.6Very high85 Ų8529.6 Ų29.640%0.39715%0.153SC..  trans-86.7-35.7-165.2-70.8-178.3-72.500114.2I453 G491I453-Q494 HydrophobicContact CD1-CG 4.1Å; I453-Q494 VanDerWaalsContact CD1-NE2 3.33Å; I453-Q494 HydrophobicContact CG1-CG 4.14Å; G491-Q494 VanDerWaalsContact O-CG 3.25Å; G491-Q494 WeakPolarHBondContact O-CG 3.36Å
495T94.7Very high96.6Very high59 Ų5927.3 Ų27.336%0.36214%0.137SC..SBendtrans-120.3157.4-172.5680000111.5F240 E497 Q498 F499F240-T495 WeakPolarHBondContact CZ-O 3.49Å; T495-E497 VanDerWaalsContact C-N 3.25Å; T495-E497 PolarHBondContact O-N 2.94Å; T495-Q498 WeakPolarHBondContact O-CB 3.17Å; T495-Q498 PolarHBondContact O-N 2.63Å; T495-Q498 WeakPolarHBondContact OG1-CB 3.46Å; T495-Q498 VanDerWaalsContact OG1-CG 3.32Å; T495-Q498 WeakPolarHBondContact OG1-CG 3.39Å; T495-Q498 PolarHBondContact OG1-N 3.34Å; T495-Q498 VanDerWaalsContact OG1-N 3.13Å; T495-F499 PolarHBondContact O-N 3.08Å; T495-F499 VanDerWaalsContact O-N 3.12Å
496E95Very high96.5Very high75 Ų7527.2 Ų27.235%0.3514%0.137SC..Hα-helixtrans-57.1-42.5170.9177.8178.5153.700111.2I237 F240 Q241 Q498 F499 L500I237-E496 VanDerWaalsContact CG2-CD 3.41Å; I237-E496 HydrophobicContact CG2-CG 3.89Å; I237-E496 WeakPolarHBondContact CG2-OE1 3.49Å; F240-E496 HydrophobicContact CE1-CB 4.46Å; Q241-E496 PolarHBondContact NE2-OE2 2.95Å; E496-Q498 VanDerWaalsContact C-N 3.31Å; E496-Q498 PolarHBondContact O-N 3.47Å; E496-F499 WeakPolarHBondContact O-CB 3.5Å; E496-F499 PolarHBondContact O-N 3.33Å; E496-F499 VanDerWaalsContact O-N 3.09Å; E496-L500 HydrophobicContact CG-CD1 3.92Å; E496-L500 HydrophobicContact CG-CG 4.15Å; E496-L500 WeakPolarHBondContact O-CG 3.3Å; E496-L500 PolarHBondContact O-N 2.56Å
497E95Very high96.3Very high98 Ų9827.2 Ų27.246%0.45814%0.138SC..Hα-helixtrans-57.5-43.3177.6-168.4-172.8176.800112.2G406 V407 T495 F501G406-E497 WeakPolarHBondContact CA-OE1 3.45Å; G406-E497 VanDerWaalsContact CA-OE2 3.29Å; G406-E497 WeakPolarHBondContact CA-OE2 3.39Å; V407-E497 HydrophobicContact CG1-CG 3.99Å; V407-E497 HydrophobicContact CG2-CG 3.92Å; V407-E497 PolarHBondContact N-OE1 3.27Å; T495-E497 VanDerWaalsContact C-N 3.25Å; T495-E497 PolarHBondContact O-N 2.94Å; E497-F501 VanDerWaalsContact O-CB 3.26Å; E497-F501 WeakPolarHBondContact O-CB 3.24Å; E497-F501 PolarHBondContact O-N 3.31Å
498Q96.4Very high96.2Very high16 Ų1628 Ų288%0.07514%0.138CC..Hα-helixtrans-63-40.9175.1-78.2176.31.700112.5V407 V458 V493 T495 E496 A502V407-Q498 HydrophobicContact CG1-CG 4.02Å; V458-Q498 HydrophobicContact CG2-CB 3.64Å; V458-Q498 HydrophobicContact CG2-CG 4.06Å; V493-Q498 HydrophobicContact CG1-CB 3.98Å; T495-Q498 WeakPolarHBondContact O-CB 3.17Å; T495-Q498 PolarHBondContact O-N 2.63Å; T495-Q498 WeakPolarHBondContact OG1-CB 3.46Å; T495-Q498 VanDerWaalsContact OG1-CG 3.32Å; T495-Q498 WeakPolarHBondContact OG1-CG 3.39Å; T495-Q498 PolarHBondContact OG1-N 3.34Å; T495-Q498 VanDerWaalsContact OG1-N 3.13Å; E496-Q498 VanDerWaalsContact C-N 3.31Å; E496-Q498 PolarHBondContact O-N 3.47Å; Q498-A502 PolarHBondContact O-N 2.9Å
499F96.9Very high96Very high0 Ų027.4 Ų27.40%013%0.134CC..Hα-helixtrans-66.9-47.7178-179-104.8000111.8M236 F240 L461 P478 V479 V482 V493 T495 E496 F501 A502 C503M236-F499 HydrophobicContact CG-CE1 3.86Å; M236-F499 HydrophobicContact CG-CZ 3.97Å; M236-F499 HydrophobicContact SD-CE1 3.6Å; M236-F499 VanDerWaalsContact SD-CE1 3.6Å; M236-F499 HydrophobicContact SD-CZ 3.64Å; F240-F499 HydrophobicContact CB-CD1 4.08Å; F240-F499 HydrophobicContact CB-CE1 4.06Å; F240-F499 HydrophobicContact CB-CG 4.37Å; F240-F499 HydrophobicContact CB-CZ 4.33Å; F240-F499 HydrophobicContact CD1-CB 4.15Å; F240-F499 HydrophobicContact CD1-CD1 4.35Å; F240-F499 HydrophobicContact CD1-CG 4.23Å; F240-F499 HydrophobicContact CD2-CB 3.96Å; F240-F499 HydrophobicContact CD2-CD1 4.18Å; F240-F499 AromaticContact CD2-CD2 3.5Å; F240-F499 HydrophobicContact CD2-CD2 3.5Å; F240-F499 VanDerWaalsContact CD2-CD2 3.5Å; F240-F499 AromaticContact CD2-CE2 3.99Å; F240-F499 HydrophobicContact CD2-CE2 3.99Å; F240-F499 AromaticContact CD2-CG 3.6Å; F240-F499 HydrophobicContact CD2-CG 3.6Å; F240-F499 HydrophobicContact CE1-CB 3.98Å; F240-F499 HydrophobicContact CE1-CG 4.5Å; F240-F499 HydrophobicContact CE2-CB 3.74Å; F240-F499 AromaticContact CE2-CD2 3.82Å; F240-F499 HydrophobicContact CE2-CD2 3.82Å; F240-F499 AromaticContact CE2-CG 3.88Å; F240-F499 HydrophobicContact CE2-CG 3.88Å; F240-F499 HydrophobicContact CG-CB 4.16Å; F240-F499 AromaticContact CG-CD1 3.93Å; F240-F499 HydrophobicContact CG-CD1 3.93Å; F240-F499 HydrophobicContact CG-CD2 4.11Å; F240-F499 HydrophobicContact CG-CE1 4.36Å; F240-F499 AromaticContact CG-CG 3.79Å; F240-F499 HydrophobicContact CG-CG 3.79Å; F240-F499 HydrophobicContact CZ-CB 3.77Å; F240-F499 HydrophobicContact CZ-CG 4.34Å; L461-F499 HydrophobicContact CD2-CD2 4.2Å; L461-F499 HydrophobicContact CD2-CE2 4.4Å; P478-F499 HydrophobicContact CB-CE2 3.93Å; P478-F499 HydrophobicContact CB-CZ 3.99Å; P478-F499 HydrophobicContact CG-CE2 4.47Å; P478-F499 HydrophobicContact CG-CZ 4.02Å; V479-F499 HydrophobicContact CG2-CE1 4.36Å; V479-F499 HydrophobicContact CG2-CE2 4.35Å; V479-F499 HydrophobicContact CG2-CZ 3.63Å; V482-F499 HydrophobicContact CG2-CD2 3.92Å; V482-F499 HydrophobicContact CG2-CE2 3.92Å; V493-F499 HydrophobicContact CG1-CB 3.88Å; V493-F499 HydrophobicContact CG1-CD2 4.45Å; T495-F499 PolarHBondContact O-N 3.08Å; T495-F499 VanDerWaalsContact O-N 3.12Å; E496-F499 WeakPolarHBondContact O-CB 3.5Å; E496-F499 PolarHBondContact O-N 3.33Å; E496-F499 VanDerWaalsContact O-N 3.09Å; F499-F501 VanDerWaalsContact C-N 3.31Å; F499-F501 PolarHBondContact O-N 3.47Å; F499-A502 WeakPolarHBondContact O-CB 3.19Å; F499-A502 PolarHBondContact O-N 2.93Å; F499-A502 VanDerWaalsContact O-N 3.14Å; F499-C503 PolarHBondContact O-N 3.41Å; F499-C503 PolarHBondContact O-SG 3.29Å
500L95.1Very high95.7Very high39 Ų3927.3 Ų27.320%0.20413%0.134CC..Hα-helixtrans-59.4-43175.8-68.5178.3000111.4L231 I237 E496 A502 C503 Q504L231-L500 HydrophobicContact CD1-CD2 3.5Å; L231-L500 VanDerWaalsContact CD1-CD2 3.5Å; L231-L500 HydrophobicContact CG-CD2 4.44Å; I237-L500 HydrophobicContact CD1-CD2 3.88Å; I237-L500 HydrophobicContact CG1-CD2 4.01Å; E496-L500 HydrophobicContact CG-CD1 3.92Å; E496-L500 HydrophobicContact CG-CG 4.15Å; E496-L500 WeakPolarHBondContact O-CG 3.3Å; E496-L500 PolarHBondContact O-N 2.56Å; L500-A502 VanDerWaalsContact C-N 3.33Å; L500-A502 PolarHBondContact O-N 2.97Å; L500-C503 PolarHBondContact O-N 2.91Å; L500-Q504 WeakPolarHBondContact O-CB 3.43Å; L500-Q504 VanDerWaalsContact O-CG 3.27Å; L500-Q504 WeakPolarHBondContact O-CG 3.2Å; L500-Q504 PolarHBondContact O-N 3.22Å
501F96.5Very high95.4Very high3 Ų331.4 Ų31.41%0.01315%0.153CC..Hα-helixtrans-60.3-41.8175.4177.1-100000112.3W402 V407 P408 P411 F414 V458 E497 F499 Q504 T505W402-F501 HydrophobicContact CH2-CD1 4.38Å; W402-F501 HydrophobicContact CH2-CE1 4.09Å; V407-F501 HydrophobicContact CB-CB 3.85Å; V407-F501 HydrophobicContact CB-CD1 4.24Å; V407-F501 HydrophobicContact CB-CD2 3.8Å; V407-F501 HydrophobicContact CB-CE2 4.44Å; V407-F501 HydrophobicContact CB-CG 3.69Å; V407-F501 HydrophobicContact CG1-CB 3.73Å; V407-F501 HydrophobicContact CG1-CD1 4.39Å; V407-F501 HydrophobicContact CG1-CG 3.99Å; V407-F501 HydrophobicContact CG2-CB 3.91Å; V407-F501 HydrophobicContact CG2-CD2 3.77Å; V407-F501 HydrophobicContact CG2-CG 3.98Å; P408-F501 HydrophobicContact CB-CE2 3.92Å; P408-F501 HydrophobicContact CB-CZ 3.8Å; P408-F501 HydrophobicContact CG-CE1 4.22Å; P408-F501 HydrophobicContact CG-CE2 4.19Å; P408-F501 HydrophobicContact CG-CZ 3.67Å; P408-F501 WeakPolarHBondContact O-CE2 3.44Å; P411-F501 HydrophobicContact CB-CE2 4.31Å; P411-F501 HydrophobicContact CG-CD2 4.42Å; P411-F501 HydrophobicContact CG-CE2 4.15Å; F414-F501 HydrophobicContact CB-CE1 4.3Å; F414-F501 HydrophobicContact CB-CZ 3.84Å; F414-F501 AromaticContact CD1-CE1 3.85Å; F414-F501 HydrophobicContact CD1-CE1 3.85Å; F414-F501 HydrophobicContact CD1-CZ 4.25Å; F414-F501 HydrophobicContact CE1-CE1 4.49Å; F414-F501 HydrophobicContact CG-CE1 4.18Å; F414-F501 HydrophobicContact CG-CZ 4.23Å; V458-F501 HydrophobicContact CG1-CD1 3.95Å; V458-F501 HydrophobicContact CG1-CE1 4.3Å; E497-F501 VanDerWaalsContact O-CB 3.26Å; E497-F501 WeakPolarHBondContact O-CB 3.24Å; E497-F501 PolarHBondContact O-N 3.31Å; F499-F501 VanDerWaalsContact C-N 3.31Å; F499-F501 PolarHBondContact O-N 3.47Å; F501-Q504 PolarHBondContact O-N 2.8Å; F501-T505 VanDerWaalsContact O-CB 3.3Å; F501-T505 WeakPolarHBondContact O-CB 3.42Å; F501-T505 PolarHBondContact O-N 3.21Å; F501-T505 PolarHBondContact O-OG1 3.04Å
502A97.3Very high95Very high0 Ų033.4 Ų33.40%016%0.161CC..Hα-helixtrans-59.9-48.7175.500000111.3V458 L461 V462 Q498 F499 L500 Q504 T505 V506V458-A502 HydrophobicContact CG1-CB 4.1Å; L461-A502 HydrophobicContact CD2-CB 3.7Å; L461-A502 HydrophobicContact CG-CB 4.29Å; V462-A502 HydrophobicContact CG2-CB 3.69Å; Q498-A502 PolarHBondContact O-N 2.9Å; F499-A502 WeakPolarHBondContact O-CB 3.19Å; F499-A502 PolarHBondContact O-N 2.93Å; F499-A502 VanDerWaalsContact O-N 3.14Å; L500-A502 VanDerWaalsContact C-N 3.33Å; L500-A502 PolarHBondContact O-N 2.97Å; A502-Q504 PolarHBondContact O-N 3.35Å; A502-T505 WeakPolarHBondContact O-CB 3.22Å; A502-T505 PolarHBondContact O-N 2.92Å; A502-V506 WeakPolarHBondContact O-CG2 3.32Å; A502-V506 PolarHBondContact O-N 3.43Å; A502-V506 VanDerWaalsContact O-N 3.07Å
503C96.1Very high94.3Very high0 Ų035.7 Ų35.70%017%0.17CC..Hα-helixtrans-61.1-45.6177.6-65.70000112.3L231 F499 L500 T505 V506 L507L231-C503 HydrophobicContact CD1-CB 4Å; L231-C503 HydrophobicContact CD2-CB 4.19Å; F499-C503 PolarHBondContact O-N 3.41Å; F499-C503 PolarHBondContact O-SG 3.29Å; L500-C503 PolarHBondContact O-N 2.91Å; C503-T505 VanDerWaalsContact C-N 3.32Å; C503-T505 PolarHBondContact O-N 3.46Å; C503-V506 PolarHBondContact O-N 3.47Å; C503-L507 WeakPolarHBondContact O-CG 3.43Å; C503-L507 PolarHBondContact O-N 3.09Å
504Q94.9Very high93.7Very high95 Ų9536.3 Ų36.344%0.44417%0.173SC..Hα-helixtrans-61.9-39.9177.3-72.9173.1-1.800112.1P411 L500 F501 A502 V506 L507 M508P411-Q504 HydrophobicContact CG-CB 4.18Å; L500-Q504 WeakPolarHBondContact O-CB 3.43Å; L500-Q504 VanDerWaalsContact O-CG 3.27Å; L500-Q504 WeakPolarHBondContact O-CG 3.2Å; L500-Q504 PolarHBondContact O-N 3.22Å; F501-Q504 PolarHBondContact O-N 2.8Å; A502-Q504 PolarHBondContact O-N 3.35Å; Q504-V506 VanDerWaalsContact C-N 3.33Å; Q504-V506 PolarHBondContact O-N 3.04Å; Q504-L507 PolarHBondContact O-N 3.21Å; Q504-M508 PolarHBondContact O-N 3.31Å
505T96.7Very high93.2Very high0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-60.4-44.3175.8-59.10000111.4F414 L415 V462 F501 A502 C503 M508 Y509F414-T505 HydrophobicContact CD1-CG2 4.14Å; L415-T505 HydrophobicContact CD2-CG2 3.45Å; L415-T505 VanDerWaalsContact CD2-CG2 3.45Å; L415-T505 HydrophobicContact CG-CG2 3.75Å; V462-T505 HydrophobicContact CG1-CG2 3.65Å; V462-T505 HydrophobicContact CG2-CG2 4.31Å; F501-T505 VanDerWaalsContact O-CB 3.3Å; F501-T505 WeakPolarHBondContact O-CB 3.42Å; F501-T505 PolarHBondContact O-N 3.21Å; F501-T505 PolarHBondContact O-OG1 3.04Å; A502-T505 WeakPolarHBondContact O-CB 3.22Å; A502-T505 PolarHBondContact O-N 2.92Å; C503-T505 VanDerWaalsContact C-N 3.32Å; C503-T505 PolarHBondContact O-N 3.46Å; T505-M508 PolarHBondContact O-N 3.25Å; T505-Y509 PolarHBondContact O-N 3.48Å
506V95.4Very high92.5Very high0 Ų040.4 Ų40.40%019%0.185CC..Hα-helixtrans-69-40179.1170.40000111.9L227 V462 L465 I469 L476 A502 C503 Q504 M508 Y509 G510L227-V506 HydrophobicContact CD2-CB 4.3Å; L227-V506 HydrophobicContact CD2-CG1 3.84Å; V462-V506 HydrophobicContact CB-CG2 4.49Å; V462-V506 HydrophobicContact CG1-CG2 4.18Å; V462-V506 HydrophobicContact CG2-CG2 4.47Å; L465-V506 HydrophobicContact CB-CB 4.3Å; L465-V506 HydrophobicContact CB-CG1 3.86Å; L465-V506 HydrophobicContact CB-CG2 3.45Å; L465-V506 VanDerWaalsContact CB-CG2 3.45Å; L465-V506 HydrophobicContact CD1-CG2 3.73Å; L465-V506 HydrophobicContact CG-CG2 4.23Å; I469-V506 HydrophobicContact CD1-CG1 3.48Å; I469-V506 VanDerWaalsContact CD1-CG1 3.48Å; I469-V506 HydrophobicContact CG1-CG1 4.48Å; L476-V506 HydrophobicContact CD1-CG1 4Å; A502-V506 WeakPolarHBondContact O-CG2 3.32Å; A502-V506 PolarHBondContact O-N 3.43Å; A502-V506 VanDerWaalsContact O-N 3.07Å; C503-V506 PolarHBondContact O-N 3.47Å; Q504-V506 VanDerWaalsContact C-N 3.33Å; Q504-V506 PolarHBondContact O-N 3.04Å; V506-M508 VanDerWaalsContact C-N 3.31Å; V506-M508 PolarHBondContact O-N 3.22Å; V506-Y509 WeakPolarHBondContact O-CB 3.15Å; V506-Y509 PolarHBondContact O-N 3.22Å; V506-G510 PolarHBondContact O-N 2.96Å
507L94.3Very high91.6Very high19 Ų1938.9 Ų38.910%0.09918%0.179CC..Hα-helixtrans-60.2-41.3174.4-74.4172000112.2R224 L227 N228 L231 C503 Q504 E511R224-L507 HydrophobicContact CB-CD2 4.26Å; R224-L507 HydrophobicContact CG-CD2 4.39Å; R224-L507 PolarHBondContact NE-O 2.79Å; R224-L507 WeakPolarHBondContact O-CD2 3.19Å; L227-L507 HydrophobicContact CB-CD2 4.03Å; L227-L507 HydrophobicContact CD2-CD2 3.82Å; L227-L507 HydrophobicContact CD2-CG 3.83Å; L227-L507 HydrophobicContact CG-CD2 3.94Å; L227-L507 HydrophobicContact CG-CG 4.16Å; N228-L507 HydrophobicContact CB-CD1 4.43Å; N228-L507 HydrophobicContact CB-CD2 4.14Å; L231-L507 HydrophobicContact CD2-CD1 4.09Å; C503-L507 WeakPolarHBondContact O-CG 3.43Å; C503-L507 PolarHBondContact O-N 3.09Å; Q504-L507 PolarHBondContact O-N 3.21Å; L507-E511 PolarHBondContact O-N 2.81Å; L507-E511 VanDerWaalsContact O-N 3.15Å
508M94.6Very high90.6Very high59 Ų5942 Ų4229%0.29119%0.191SC..Hα-helixtrans-68.5-38.1175.3-176.6177.4-72.700111.9P411 Q412 L415 Q504 T505 V506 E511 K512P411-M508 HydrophobicContact CB-CE 4.17Å; P411-M508 HydrophobicContact CB-SD 4.04Å; P411-M508 HydrophobicContact CG-CE 4.38Å; Q412-M508 HydrophobicContact CB-SD 3.7Å; Q412-M508 PolarHBondContact N-SD 3.24Å; Q412-M508 VanDerWaalsContact N-SD 3.42Å; L415-M508 HydrophobicContact CD1-CB 3.99Å; L415-M508 HydrophobicContact CD1-CG 3.75Å; L415-M508 HydrophobicContact CD1-SD 4.04Å; Q504-M508 PolarHBondContact O-N 3.31Å; T505-M508 PolarHBondContact O-N 3.25Å; V506-M508 VanDerWaalsContact C-N 3.31Å; V506-M508 PolarHBondContact O-N 3.22Å; M508-E511 WeakPolarHBondContact O-CB 3.24Å; M508-E511 PolarHBondContact O-N 3.42Å; M508-K512 PolarHBondContact O-N 3.3Å
509Y94.2Very high89.3Confident14 Ų1454.2 Ų54.26%0.05524%0.237CC..Hα-helixtrans-59-49.6174.2-178-108.4000111.7L415 M466 I469 E470 T505 V506 E511 K512 R513L415-Y509 HydrophobicContact CD2-CD2 4.12Å; L415-Y509 HydrophobicContact CD2-CG 4.4Å; M466-Y509 HydrophobicContact CB-CD1 3.99Å; M466-Y509 HydrophobicContact CB-CE1 3.97Å; M466-Y509 HydrophobicContact CE-CD2 3.86Å; M466-Y509 HydrophobicContact CE-CE1 4.45Å; M466-Y509 HydrophobicContact CE-CE2 3.72Å; M466-Y509 HydrophobicContact CE-CG 4.33Å; M466-Y509 HydrophobicContact CG-CD1 3.64Å; M466-Y509 HydrophobicContact CG-CD2 4.25Å; M466-Y509 HydrophobicContact CG-CE1 4.06Å; M466-Y509 HydrophobicContact CG-CG 3.75Å; M466-Y509 HydrophobicContact SD-CD2 4.39Å; M466-Y509 HydrophobicContact SD-CG 4.41Å; I469-Y509 HydrophobicContact CD1-CD1 4.41Å; I469-Y509 HydrophobicContact CG2-CD1 4.34Å; I469-Y509 HydrophobicContact CG2-CE1 4.36Å; E470-Y509 HydrophobicContact CG-CE1 4.17Å; E470-Y509 PolarHBondContact OE1-OH 3.25Å; T505-Y509 PolarHBondContact O-N 3.48Å; V506-Y509 WeakPolarHBondContact O-CB 3.15Å; V506-Y509 PolarHBondContact O-N 3.22Å; Y509-E511 VanDerWaalsContact C-N 3.28Å; Y509-E511 PolarHBondContact O-N 3Å; Y509-K512 WeakPolarHBondContact O-CB 3.49Å; Y509-K512 PolarHBondContact O-N 3.47Å; Y509-R513 PolarHBondContact O-N 3.06Å
510G91.9Very high88.9Confident0 Ų056.9 Ų56.90%025%0.248CC..Hα-helixtrans-59.2-38.9176.900000112.4V506 R513 L514V506-G510 PolarHBondContact O-N 2.96Å; G510-R513 PolarHBondContact O-N 3.25Å; G510-L514 WeakPolarHBondContact O-CG 3.47Å; G510-L514 PolarHBondContact O-N 2.78Å
511E90.8Very high88.6Confident95 Ų9557.8 Ų57.844%0.44425%0.251SS..Hα-helixtrans-61.6-47.5175.8-166.3173.417300112.3R224 L507 M508 Y509 R513 L514 L515R224-E511 IonicContact NH2-OE2 3.33Å; R224-E511 PolarHBondContact NH2-OE2 3.29Å; L507-E511 PolarHBondContact O-N 2.81Å; L507-E511 VanDerWaalsContact O-N 3.15Å; M508-E511 WeakPolarHBondContact O-CB 3.24Å; M508-E511 PolarHBondContact O-N 3.42Å; Y509-E511 VanDerWaalsContact C-N 3.28Å; Y509-E511 PolarHBondContact O-N 3Å; E511-R513 VanDerWaalsContact C-N 3.29Å; E511-R513 PolarHBondContact O-N 3.48Å; E511-L514 WeakPolarHBondContact O-CB 3.49Å; E511-L514 PolarHBondContact O-N 3.38Å; E511-L515 WeakPolarHBondContact O-CG 3.34Å; E511-L515 PolarHBondContact O-N 2.95Å
512K88.8Confident88.1Confident45 Ų4560.9 Ų60.920%0.19626%0.264CS..Hα-helixtrans-60.2-39.9175.4-79.5-179.8149.5-169.10112.3L415 M508 Y509 L515 R516L415-K512 HydrophobicContact CD1-CD 4.29Å; M508-K512 PolarHBondContact O-N 3.3Å; Y509-K512 WeakPolarHBondContact O-CB 3.49Å; Y509-K512 PolarHBondContact O-N 3.47Å; K512-L515 PolarHBondContact O-N 3.47Å; K512-R516 WeakPolarHBondContact O-CG 3.34Å; K512-R516 PolarHBondContact O-N 2.6Å
513R84.4Confident87.6Confident47 Ų4764.5 Ų64.518%0.17728%0.28CS..Hα-helixtrans-62.7-45.2176.2-174.5175.7172.1110.5-8.5111E470 Y509 G510 E511 L515 R516 L517E470-R513 VanDerWaalsContact CA-CZ 3.49Å; E470-R513 PolarHBondContact O-NH2 2.72Å; Y509-R513 PolarHBondContact O-N 3.06Å; G510-R513 PolarHBondContact O-N 3.25Å; E511-R513 VanDerWaalsContact C-N 3.29Å; E511-R513 PolarHBondContact O-N 3.48Å; R513-L515 VanDerWaalsContact C-N 3.35Å; R513-L515 PolarHBondContact O-N 3.5Å; R513-R516 PolarHBondContact O-N 2.55Å; R513-R516 VanDerWaalsContact O-N 3.13Å; R513-R516 WeakPolarHBondContact O-CB 3.43Å; R513-L517 HydrophobicContact CG-CD1 4.14Å; R513-L517 WeakPolarHBondContact O-CG 3.33Å; R513-L517 PolarHBondContact O-N 3.3Å
514L84.1Confident87.1Confident14 Ų1468.5 Ų68.57%0.07330%0.297CS..Hα-helixtrans-59.1-44.3174.5-71.9169.3000112.4S217 V220 I221 G510 E511 R516 L517 K518S217-L514 WeakPolarHBondContact O-CD2 3.3Å; V220-L514 HydrophobicContact CB-CD2 3.8Å; V220-L514 HydrophobicContact CB-CG 4.18Å; V220-L514 HydrophobicContact CG1-CD1 4.07Å; V220-L514 HydrophobicContact CG1-CD2 3.81Å; V220-L514 HydrophobicContact CG1-CG 3.59Å; I221-L514 HydrophobicContact CD1-CD2 4.41Å; I221-L514 HydrophobicContact CG1-CD1 3.86Å; I221-L514 HydrophobicContact CG1-CD2 3.86Å; G510-L514 WeakPolarHBondContact O-CG 3.47Å; G510-L514 PolarHBondContact O-N 2.78Å; E511-L514 WeakPolarHBondContact O-CB 3.49Å; E511-L514 PolarHBondContact O-N 3.38Å; L514-R516 VanDerWaalsContact C-N 3.26Å; L514-R516 PolarHBondContact O-N 3.2Å; L514-L517 PolarHBondContact O-N 2.77Å; L514-K518 WeakPolarHBondContact O-CG 3.19Å; L514-K518 PolarHBondContact O-N 3.05Å
515L84.5Confident86.6Confident98 Ų9866.7 Ų66.751%0.51329%0.287SS..Hα-helixtrans-63.4-33.6176.6-70.3172.7000112.4E511 K512 R513 R519E511-L515 WeakPolarHBondContact O-CG 3.34Å; E511-L515 PolarHBondContact O-N 2.95Å; K512-L515 PolarHBondContact O-N 3.47Å; R513-L515 VanDerWaalsContact C-N 3.35Å; R513-L515 PolarHBondContact O-N 3.5Å; L515-R519 WeakPolarHBondContact O-CG 3.38Å
516R80.3Confident85.8Confident131 Ų13171.5 Ų71.549%0.49431%0.308SS..Hα-helixtrans-71.2-36.7174-73.2174-178.7167.75112.2E419 K512 R513 L514 K518 R519E419-R516 IonicContact OE1-CZ 3.71Å; E419-R516 IonicContact OE1-NH1 3.88Å; E419-R516 IonicContact OE1-NH2 3.88Å; E419-R516 PolarHBondContact OE1-NH2 2.98Å; E419-R516 IonicContact OE2-NH2 3.46Å; K512-R516 WeakPolarHBondContact O-CG 3.34Å; K512-R516 PolarHBondContact O-N 2.6Å; R513-R516 PolarHBondContact O-N 2.55Å; R513-R516 VanDerWaalsContact O-N 3.13Å; R513-R516 WeakPolarHBondContact O-CB 3.43Å; L514-R516 VanDerWaalsContact C-N 3.26Å; L514-R516 PolarHBondContact O-N 3.2Å; R516-K518 VanDerWaalsContact C-N 3.35Å; R516-R519 PolarHBondContact O-N 3.06Å
517L75.7Confident85.1Confident44 Ų4477 Ų7723%0.2333%0.331CS..Hα-helixtrans-72.8-25.5178.6-70.7166.4000113.4I216 R513 L514I216-L517 HydrophobicContact CB-CD1 4.5Å; I216-L517 HydrophobicContact CG2-CD1 3.54Å; I216-L517 HydrophobicContact CG2-CD2 4.09Å; I216-L517 HydrophobicContact CG2-CG 4.49Å; R513-L517 HydrophobicContact CG-CD1 4.14Å; R513-L517 WeakPolarHBondContact O-CG 3.33Å; R513-L517 PolarHBondContact O-N 3.3Å; L514-L517 PolarHBondContact O-N 2.77Å
518K74.8Confident84.3Confident163 Ų16381.8 Ų81.871%0.70935%0.351SS*.THydrogen-bonded Turntrans-80.5-15.2175.5-72.7-178.5179.6-175.40114.1L514 R516L514-K518 WeakPolarHBondContact O-CG 3.19Å; L514-K518 PolarHBondContact O-N 3.05Å; R516-K518 VanDerWaalsContact C-N 3.35Å
519R68.2Low83.4Confident272 Ų27283.9 Ų83.9100%1.02636%0.356SS*.  trans-93.40177.5-74.2179-179.7-167.40.7109.8L515 R516L515-R519 WeakPolarHBondContact O-CG 3.38Å; R516-R519 PolarHBondContact O-N 3.06Å

Retrieved 519 of 519 residues in 479.2 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).