A0A5K4EL73_SCHMA Loading...

Putative wd-repeat protein

AlphaFold DB , UniProt , Accession A0A5K4EL73, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,248 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
1M77.8Confident87.6Confident37 Ų3739.6 Ų39.618%0.18222%0.219CC..  0153.40177.2175.2-7900108.1M266 L293 N294 L329 R330 Y556M1-M266 HydrophobicContact CE-CE 4.14Å; M1-M266 HydrophobicContact CE-SD 3.27Å; M1-M266 WeakPolarHBondContact CE-SD 3.43Å; M1-M266 HydrophobicContact SD-SD 3.67Å; M1-M266 VanDerWaalsContact SD-SD 3.67Å; M1-L293 HydrophobicContact CE-CD1 4.04Å; M1-L293 HydrophobicContact SD-CB 4.09Å; M1-L293 HydrophobicContact SD-CD1 4.32Å; M1-N294 HydrophobicContact CB-CB 4.45Å; M1-N294 PolarHBondContact O-ND2 3.03Å; M1-L329 HydrophobicContact SD-CD2 3.9Å; M1-R330 WeakPolarHBondContact CG-O 3.26Å; M1-Y556 PolarHBondContact N-OH 3.46Å
2F83.4Confident87.2Confident22 Ų2241.3 Ų41.310%0.09623%0.233CC..EExtended strand (participates in β ladder)trans-126.5135.7177.2179.2-104.2000110.8Y4 R330 D604 W606F2-Y4 AromaticContact CD1-CD1 3.78Å; F2-Y4 HydrophobicContact CD1-CD1 3.78Å; F2-Y4 HydrophobicContact CD1-CE1 4.4Å; F2-Y4 AromaticContact CE1-CD1 3.36Å; F2-Y4 HydrophobicContact CE1-CD1 3.36Å; F2-Y4 HydrophobicContact CE1-CE1 4.2Å; F2-Y4 AromaticContact CE1-CG 3.98Å; F2-Y4 HydrophobicContact CE1-CG 3.98Å; F2-Y4 HydrophobicContact CZ-CD1 4.35Å; F2-R330 HydrophobicContact CB-CB 4.39Å; F2-R330 PolarHBondContact N-O 3.07Å; F2-R330 PolarHBondContact O-N 3.2Å; F2-D604 VanDerWaalsContact CZ-C 3.47Å; F2-D604 HydrophobicContact CZ-CB 3.98Å; F2-D604 WeakPolarHBondContact CZ-O 3.36Å; F2-W606 HydrophobicContact CB-CB 3.97Å; F2-W606 HydrophobicContact CD1-CB 3.58Å; F2-W606 AromaticContact CD1-CD1 3.71Å; F2-W606 AromaticContact CD1-CG 3.83Å; F2-W606 HydrophobicContact CD1-CG 3.83Å; F2-W606 HydrophobicContact CD2-CB 3.91Å; F2-W606 HydrophobicContact CE1-CB 4.02Å; F2-W606 AromaticContact CE1-CD1 3.66Å; F2-W606 HydrophobicContact CE1-CG 4.15Å; F2-W606 HydrophobicContact CE2-CB 4.34Å; F2-W606 HydrophobicContact CG-CB 3.53Å; F2-W606 HydrophobicContact CG-CG 4.26Å; F2-W606 HydrophobicContact CZ-CB 4.4Å
3S87.9Confident87Confident8 Ų850.7 Ų50.76%0.05628%0.282CS..EExtended strand (participates in β ladder)trans-132139.9179.355.60000110.9N294 N328S3-N294 PolarHBondContact OG-OD1 2.92Å; S3-N294 VanDerWaalsContact OG-OD1 3.13Å; S3-N328 WeakPolarHBondContact CA-O 3.2Å
4Y87.9Confident87Confident10 Ų1055.9 Ų55.94%0.03931%0.309CS..EExtended strand (participates in β ladder)trans-148.7155.418063.6-83.8000112F2 A327 N328 K623 T624F2-Y4 AromaticContact CD1-CD1 3.78Å; F2-Y4 HydrophobicContact CD1-CD1 3.78Å; F2-Y4 HydrophobicContact CD1-CE1 4.4Å; F2-Y4 AromaticContact CE1-CD1 3.36Å; F2-Y4 HydrophobicContact CE1-CD1 3.36Å; F2-Y4 HydrophobicContact CE1-CE1 4.2Å; F2-Y4 AromaticContact CE1-CG 3.98Å; F2-Y4 HydrophobicContact CE1-CG 3.98Å; F2-Y4 HydrophobicContact CZ-CD1 4.35Å; Y4-A327 CarbonylContact O-C 3.56Å; Y4-A327 VanDerWaalsContact O-CA 3.27Å; Y4-A327 WeakPolarHBondContact O-CA 3.43Å; Y4-N328 HydrophobicContact CD1-CB 4.5Å; Y4-N328 HydrophobicContact CE1-CB 3.85Å; Y4-N328 HydrophobicContact CE2-CB 3.99Å; Y4-N328 PolarHBondContact N-O 3Å; Y4-N328 VanDerWaalsContact N-O 3.09Å; Y4-N328 PolarHBondContact O-N 3.36Å; Y4-N328 PolarHBondContact OH-ND2 2.89Å; Y4-K623 HydrophobicContact CD2-CB 3.94Å; Y4-K623 HydrophobicContact CD2-CD 3.98Å; Y4-K623 HydrophobicContact CD2-CG 3.67Å; Y4-K623 HydrophobicContact CE2-CB 3.71Å; Y4-K623 HydrophobicContact CE2-CD 4.35Å; Y4-K623 HydrophobicContact CE2-CG 3.98Å; Y4-K623 HydrophobicContact CG-CG 4.14Å; Y4-T624 WeakPolarHBondContact OH-CG2 3.3Å
5L88.7Confident87.3Confident43 Ų4352.9 Ų52.923%0.22529%0.294CS..EExtended strand (participates in β ladder)trans-76.9124.3173.2-66.4176.1000110.9L296 L298 P299 Y325 F326 A327L5-L296 HydrophobicContact CD2-CD2 4.12Å; L5-L298 HydrophobicContact CD1-CD2 4.43Å; L5-L298 HydrophobicContact CD2-CD2 3.87Å; L5-P299 HydrophobicContact CD1-CG 4.26Å; L5-Y325 HydrophobicContact CD1-CD1 4.09Å; L5-Y325 HydrophobicContact CD1-CE1 4.46Å; L5-Y325 HydrophobicContact CD2-CD1 4.36Å; L5-F326 CarbonylContact C-O 3.57Å; L5-F326 WeakPolarHBondContact CA-O 3.35Å; L5-A327 HydrophobicContact CD2-CB 4.19Å
6S85Confident87.7Confident56 Ų5655.4 Ų55.439%0.39230%0.301SS..EExtended strand (participates in β ladder)trans-102.9-39.4-174.963.10000113.4F326 N328S6-F326 PolarHBondContact N-O 3.18Å; S6-F326 PolarHBondContact OG-O 2.91Å; S6-N328 PolarHBondContact OG-OD1 3.32Å
7K86.8Confident88.1Confident63 Ų6352.2 Ų52.227%0.27428%0.284SS..EExtended strand (participates in β ladder)trans-146.3152.8-177.1-165.1171.3-175.4174.90111.4T58 F326K7-T58 PolarHBondContact NZ-O 2.92Å; K7-F326 HydrophobicContact CB-CB 4.08Å; K7-F326 HydrophobicContact CB-CD2 3.97Å; K7-F326 HydrophobicContact CB-CG 4.34Å; K7-F326 HydrophobicContact CG-CD2 4.42Å; K7-F326 PolarHBondContact N-O 3.23Å; K7-F326 PolarHBondContact O-N 3.48Å
8K91Very high88.4Confident103 Ų10352.9 Ų52.945%0.44828%0.284SS..EExtended strand (participates in β ladder)trans-132.1130.7174.4177.5-177176.1165.40108.9F323 L324 Y325K8-F323 HydrophobicContact CD-CD1 4.24Å; K8-F323 HydrophobicContact CG-CB 4.48Å; K8-F323 HydrophobicContact CG-CD1 4.31Å; K8-F323 VanDerWaalsContact NZ-CE1 3.34Å; K8-L324 WeakPolarHBondContact CA-O 3.17Å; K8-Y325 HydrophobicContact CB-CD1 4.16Å; K8-Y325 HydrophobicContact CB-CE1 4.08Å; K8-Y325 HydrophobicContact CD-CD1 4.48Å; K8-Y325 HydrophobicContact CD-CE1 3.63Å; K8-Y325 WeakPolarHBondContact CE-OH 3.41Å; K8-Y325 HydrophobicContact CG-CD1 4.17Å; K8-Y325 HydrophobicContact CG-CE1 3.79Å; K8-Y325 PolarHBondContact NZ-OH 3.11Å
9I91.8Very high88.7Confident19 Ų1950.6 Ų50.610%0.09727%0.272CS..EExtended strand (participates in β ladder)trans-117.5127.4173.5-60.6179.8000108L41 L60 F323 L324 F326I9-L41 HydrophobicContact CD1-CD1 3.99Å; I9-L41 HydrophobicContact CG2-CD1 4.49Å; I9-L60 HydrophobicContact CD1-CD1 4.27Å; I9-F323 WeakPolarHBondContact O-CA 3.3Å; I9-L324 HydrophobicContact CB-CB 4.38Å; I9-L324 PolarHBondContact N-O 3.32Å; I9-L324 PolarHBondContact O-N 3.22Å; I9-F326 HydrophobicContact CD1-CE2 3.62Å; I9-F326 HydrophobicContact CD1-CZ 4.14Å; I9-F326 HydrophobicContact CG1-CE2 3.93Å
10A92.7Very high89Confident67 Ų6748.8 Ų48.855%0.55427%0.265SS*.EExtended strand (participates in β ladder)trans-90.5135.3175.700000110.9F323A10-F323 HydrophobicContact CB-CD1 3.78Å; A10-F323 HydrophobicContact CB-CE1 3.66Å
11I90.7Very high89.3Confident8 Ų847.5 Ų47.54%0.04126%0.259CS..PPolyproline II helixtrans-87.9139.2175.9-59.9-59.5000109.5A15 L17 L37 K39 S322I11-A15 HydrophobicContact CG2-CB 4.42Å; I11-L17 HydrophobicContact CD1-CD1 4.33Å; I11-L17 HydrophobicContact CD1-CD2 4.22Å; I11-L17 HydrophobicContact CG1-CD1 3.84Å; I11-L17 HydrophobicContact CG1-CD2 3.88Å; I11-L17 HydrophobicContact CG1-CG 3.93Å; I11-L37 HydrophobicContact CG2-CD1 4.12Å; I11-L37 HydrophobicContact CG2-CD2 3.26Å; I11-L37 HydrophobicContact CG2-CG 4.32Å; I11-K39 HydrophobicContact CD1-CD 4.37Å; I11-S322 VanDerWaalsContact CB-O 3.29Å; I11-S322 WeakPolarHBondContact CB-O 3.48Å; I11-S322 WeakPolarHBondContact CG1-O 3.43Å; I11-S322 PolarHBondContact N-O 3.35Å
12P83.4Confident90Very high60 Ų6046 Ų4639%0.3925%0.251SS..G310 helixtrans-56.4155.9177.5-23.133.3000113.2N14 A15P12-N14 PolarHBondContact O-N 3.42Å; P12-A15 PolarHBondContact O-N 3.24Å
13N84.4Confident90.4Very high163 Ų16344.9 Ų44.987%0.87225%0.247SC*.G310 helixtrans59.111.5174.4-57-18.8000116.1A15N13-A15 PolarHBondContact O-N 2.98Å; N13-A15 VanDerWaalsContact O-N 3.15Å
14N86.7Confident90.2Very high123 Ų12348.3 Ų48.366%0.65826%0.261SS*.G310 helixtrans54.824.8-172.7-61.8-41.3000113.6P12 K16P12-N14 PolarHBondContact O-N 3.42Å; N14-K16 PolarHBondContact O-N 3.16Å
15A91.2Very high89.9Confident11 Ų1152.2 Ų52.29%0.09128%0.279CS..PPolyproline II helixtrans-59.9127.8174.500000108.9I11 P12 N13 L37 S322I11-A15 HydrophobicContact CG2-CB 4.42Å; P12-A15 PolarHBondContact O-N 3.24Å; N13-A15 PolarHBondContact O-N 2.98Å; N13-A15 VanDerWaalsContact O-N 3.15Å; A15-L37 HydrophobicContact CB-CD2 4.04Å; A15-S322 WeakPolarHBondContact O-CA 3.5Å; A15-S322 VanDerWaalsContact O-CB 3.32Å; A15-S322 WeakPolarHBondContact O-CB 3.48Å
16K93.6Very high89.6Confident94 Ų9452 Ų5241%0.40928%0.277SS..PPolyproline II helixtrans-75.4134.6-179.5-62.8176-173.21630109.7N14 G33 E34 D321N14-K16 PolarHBondContact O-N 3.16Å; K16-G33 CarbonylContact O-C 3.53Å; K16-G33 WeakPolarHBondContact O-CA 3.36Å; K16-E34 HydrophobicContact CB-CG 4.21Å; K16-E34 WeakPolarHBondContact CB-OE2 3.34Å; K16-E34 PolarHBondContact N-OE2 3.4Å; K16-E34 PolarHBondContact O-N 3.4Å; K16-D321 CarbonylContact C-O 3.58Å; K16-D321 WeakPolarHBondContact CA-O 3.4Å
17L94.8Very high89.6Confident1 Ų149.9 Ų49.91%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-75.5134.8173.3-66.6178.1000109.9I11 C31 G32 L37 T304 A319 D321 L324I11-L17 HydrophobicContact CD1-CD1 4.33Å; I11-L17 HydrophobicContact CD1-CD2 4.22Å; I11-L17 HydrophobicContact CG1-CD1 3.84Å; I11-L17 HydrophobicContact CG1-CD2 3.88Å; I11-L17 HydrophobicContact CG1-CG 3.93Å; L17-C31 HydrophobicContact CD1-CB 4.45Å; L17-C31 HydrophobicContact CD2-CB 3.97Å; L17-G32 CarbonylContact C-O 3.55Å; L17-G32 WeakPolarHBondContact CA-O 3.12Å; L17-L37 HydrophobicContact CD2-CD2 3.86Å; L17-T304 WeakPolarHBondContact O-CB 3.4Å; L17-T304 VanDerWaalsContact O-CG2 3.28Å; L17-T304 WeakPolarHBondContact O-CG2 3.28Å; L17-T304 PolarHBondContact O-OG1 2.92Å; L17-A319 HydrophobicContact CB-CB 3.87Å; L17-A319 HydrophobicContact CD1-CB 4Å; L17-D321 PolarHBondContact N-O 3.47Å; L17-L324 HydrophobicContact CD1-CB 4.37Å; L17-L324 HydrophobicContact CD1-CD1 4.49Å
18K93.8Very high89.8Confident64 Ų6448 Ų4828%0.27826%0.255SS..EExtended strand (participates in β ladder)trans-108.1-32.1176.3-58.7-70.8177.7177.20111.7G32 E34 D72K18-G32 PolarHBondContact N-O 3.47Å; K18-E34 VanDerWaalsContact CE-CG 3.41Å; K18-E34 WeakPolarHBondContact CE-OE1 3.5Å; K18-E34 IonicContact NZ-OE1 3.99Å; K18-E34 PolarHBondContact NZ-OE1 3.38Å; K18-D72 WeakPolarHBondContact CE-OD2 3.34Å; K18-D72 IonicContact NZ-OD2 2.88Å
19S94Very high89.9Confident9 Ų943 Ų436%0.06323%0.234CC..EExtended strand (participates in β ladder)trans-141.1149.4-175.156.50000111.6C31 G32 V73 Q74 I76S19-C31 WeakPolarHBondContact O-CA 3.36Å; S19-G32 PolarHBondContact N-O 3.05Å; S19-G32 VanDerWaalsContact N-O 3.11Å; S19-G32 PolarHBondContact O-N 2.96Å; S19-V73 PolarHBondContact OG-O 3.14Å; S19-V73 VanDerWaalsContact OG-O 3.05Å; S19-Q74 WeakPolarHBondContact CB-O 3.5Å; S19-I76 WeakPolarHBondContact OG-CD1 3.47Å
20A95.1Very high90Very high15 Ų1542.1 Ų42.112%0.12423%0.229CC..EExtended strand (participates in β ladder)trans-150.9142.917300000110A30 C31 A305 T307 A319 L324A20-A30 CarbonylContact C-O 3.4Å; A20-A30 VanDerWaalsContact CA-O 3.29Å; A20-A30 WeakPolarHBondContact CA-O 3.37Å; A20-C31 HydrophobicContact CB-CB 4.37Å; A20-A305 HydrophobicContact CB-CB 3.98Å; A20-T307 HydrophobicContact CB-CG2 4.48Å; A20-A319 HydrophobicContact CB-CB 4.23Å; A20-L324 HydrophobicContact CB-CD1 4.39Å
21S94.3Very high90.2Very high22 Ų2239 Ų3915%0.15420%0.203CC..EExtended strand (participates in β ladder)trans-149.1134.6178.7-165.20000110.6A30 W78S21-A30 PolarHBondContact N-O 3.22Å; S21-A30 PolarHBondContact O-N 3.19Å; S21-W78 PolarHBondContact O-NE1 3.19Å; S21-W78 PolarHBondContact OG-NE1 3.39Å
22W93Very high90.4Very high4 Ų438.6 Ų38.62%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-112125.8-177.6-162.1-22000109.7K24 Y28 V29 L43 T307 W308 E309 R315 A317 F326W22-K24 PolarHBondContact O-N 3.25Å; W22-Y28 CarbonylContact C-O 3.53Å; W22-Y28 WeakPolarHBondContact CA-O 3.38Å; W22-V29 HydrophobicContact CB-CG2 4.35Å; W22-V29 HydrophobicContact CD2-CG2 3.56Å; W22-V29 HydrophobicContact CE3-CG2 4.21Å; W22-V29 HydrophobicContact CG-CG2 3.65Å; W22-V29 HydrophobicContact CZ2-CG2 4.15Å; W22-L43 HydrophobicContact CH2-CD1 4.28Å; W22-L43 HydrophobicContact CZ2-CD1 4.17Å; W22-T307 HydrophobicContact CB-CG2 3.73Å; W22-T307 WeakPolarHBondContact CB-OG1 3.27Å; W22-T307 PolarHBondContact N-OG1 2.86Å; W22-W308 WeakPolarHBondContact CB-O 3.26Å; W22-E309 HydrophobicContact CD2-CB 3.83Å; W22-E309 HydrophobicContact CD2-CG 4.31Å; W22-E309 HydrophobicContact CE3-CB 3.97Å; W22-E309 HydrophobicContact CH2-CB 3.85Å; W22-E309 HydrophobicContact CH2-CG 4.32Å; W22-E309 HydrophobicContact CZ2-CB 3.69Å; W22-E309 HydrophobicContact CZ2-CG 3.71Å; W22-E309 WeakPolarHBondContact CZ2-OE1 3.24Å; W22-E309 HydrophobicContact CZ3-CB 3.97Å; W22-R315 HydrophobicContact CH2-CB 4.13Å; W22-R315 HydrophobicContact CZ3-CB 4.36Å; W22-A317 HydrophobicContact CE3-CB 3.58Å; W22-A317 HydrophobicContact CZ3-CB 3.71Å; W22-F326 HydrophobicContact CE3-CE1 4.49Å; W22-F326 AromaticContact CH2-CD1 3.7Å; W22-F326 HydrophobicContact CH2-CD1 3.7Å; W22-F326 AromaticContact CH2-CE1 3.76Å; W22-F326 HydrophobicContact CH2-CE1 3.76Å; W22-F326 HydrophobicContact CZ2-CE1 4.43Å; W22-F326 AromaticContact CZ3-CD1 3.72Å; W22-F326 HydrophobicContact CZ3-CD1 3.72Å; W22-F326 AromaticContact CZ3-CE1 3.8Å; W22-F326 HydrophobicContact CZ3-CE1 3.8Å
23S90.9Very high90.9Very high0 Ų035.7 Ų35.70%018%0.182CC..  trans-63.2128.9172.2166.60000110H26 Y28 E80S23-H26 PolarHBondContact OG-N 2.82Å; S23-H26 VanDerWaalsContact OG-N 3.13Å; S23-Y28 PolarHBondContact N-O 3.38Å; S23-E80 VanDerWaalsContact CA-OE1 3.29Å; S23-E80 WeakPolarHBondContact CA-OE1 3.32Å; S23-E80 PolarHBondContact OG-OE2 3.18Å
24K85.1Confident91.4Very high79 Ų7930 Ų3034%0.34315%0.151SC..THydrogen-bonded Turntrans-71-37.7-179-63.7179.7178.8-175.40111.5W22 E80 E262 G310 N311W22-K24 PolarHBondContact O-N 3.25Å; K24-E80 PolarHBondContact N-OE1 2.83Å; K24-E262 HydrophobicContact CD-CG 4.38Å; K24-G310 CarbonylContact O-C 3.59Å; K24-G310 WeakPolarHBondContact O-CA 3.32Å; K24-N311 PolarHBondContact O-N 3.19Å
25E81.8Confident91.7Very high93 Ų9330.8 Ų30.844%0.43516%0.155SC..THydrogen-bonded Turntrans-93.9-31.7-173.2-64.3-167.9177.200114.2E80E25-E80 HydrophobicContact CG-CB 4.47Å
26H82.1Confident91.7Very high37 Ų3730.6 Ų30.617%0.17115%0.154CC..THydrogen-bonded Turntrans-115.9-0.6-161.4-57.7-27.7000114.8S23 Y28 R83S23-H26 PolarHBondContact OG-N 2.82Å; S23-H26 VanDerWaalsContact OG-N 3.13Å; H26-Y28 VanDerWaalsContact C-N 3.26Å; H26-Y28 HydrophobicContact CB-CD2 3.54Å; H26-Y28 HydrophobicContact CB-CE2 3.81Å; H26-Y28 WeakPolarHBondContact O-CD2 3.31Å; H26-Y28 PolarHBondContact O-N 2.64Å; H26-R83 PolarHBondContact CE1-NE 3.49Å; H26-R83 PolarHBondContact CE1-NH2 2.97Å; H26-R83 WeakPolarHBondContact NE2-CG 3.41Å; H26-R83 PolarHBondContact NE2-NE 2.82Å
27G83.8Confident91.7Very high12 Ų1227.2 Ų27.212%0.12414%0.14CC..  trans70.917.6174.800000114.6L43G27-L43 PolarHBondContact O-N 2.83Å
28Y90.8Very high91.7Very high23 Ų2327.2 Ų27.29%0.0914%0.14CC..EExtended strand (participates in β ladder)trans-89.3137.8175.3-68.6-79.8000111.3W22 S23 H26 V40 L41 K42 M62 W78 W104W22-Y28 CarbonylContact C-O 3.53Å; W22-Y28 WeakPolarHBondContact CA-O 3.38Å; S23-Y28 PolarHBondContact N-O 3.38Å; H26-Y28 VanDerWaalsContact C-N 3.26Å; H26-Y28 HydrophobicContact CB-CD2 3.54Å; H26-Y28 HydrophobicContact CB-CE2 3.81Å; H26-Y28 WeakPolarHBondContact O-CD2 3.31Å; H26-Y28 PolarHBondContact O-N 2.64Å; Y28-V40 HydrophobicContact CD1-CG1 3.87Å; Y28-V40 HydrophobicContact CG-CG1 4.43Å; Y28-L41 CarbonylContact C-O 3.57Å; Y28-L41 VanDerWaalsContact CA-O 3.25Å; Y28-L41 WeakPolarHBondContact CA-O 3.2Å; Y28-K42 HydrophobicContact CD1-CB 3.76Å; Y28-K42 HydrophobicContact CD1-CD 4.33Å; Y28-K42 HydrophobicContact CD1-CG 3.89Å; Y28-K42 HydrophobicContact CE1-CB 3.72Å; Y28-K42 HydrophobicContact CE1-CD 3.65Å; Y28-K42 HydrophobicContact CE1-CG 3.73Å; Y28-K42 HydrophobicContact CE2-CD 4.43Å; Y28-K42 HydrophobicContact CG-CG 4.45Å; Y28-M62 HydrophobicContact CD1-SD 4.43Å; Y28-M62 HydrophobicContact CE1-CE 4.25Å; Y28-M62 HydrophobicContact CE1-SD 3.74Å; Y28-W78 HydrophobicContact CG-CH2 4.47Å; Y28-W104 HydrophobicContact CD2-CZ2 4.43Å; Y28-W104 HydrophobicContact CG-CZ2 4.4Å
29V93.6Very high91.8Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-115.8120.2171.9-170.20000108.6W22 V40 L41 L324 F326W22-V29 HydrophobicContact CB-CG2 4.35Å; W22-V29 HydrophobicContact CD2-CG2 3.56Å; W22-V29 HydrophobicContact CE3-CG2 4.21Å; W22-V29 HydrophobicContact CG-CG2 3.65Å; W22-V29 HydrophobicContact CZ2-CG2 4.15Å; V29-V40 CarbonylContact O-C 3.47Å; V29-V40 WeakPolarHBondContact O-CA 3.4Å; V29-L41 HydrophobicContact CB-CB 4.38Å; V29-L41 PolarHBondContact N-O 3.17Å; V29-L41 PolarHBondContact O-N 3.44Å; V29-L324 HydrophobicContact CG1-CD2 4Å; V29-F326 HydrophobicContact CG2-CE1 4.31Å
30A95.2Very high91.8Very high0 Ų024.5 Ų24.50%013%0.128CC..EExtended strand (participates in β ladder)trans-99.1135.4171.900000109.6A20 S21 K39 V40 I76 W78 I85A20-A30 CarbonylContact C-O 3.4Å; A20-A30 VanDerWaalsContact CA-O 3.29Å; A20-A30 WeakPolarHBondContact CA-O 3.37Å; S21-A30 PolarHBondContact N-O 3.22Å; S21-A30 PolarHBondContact O-N 3.19Å; A30-K39 CarbonylContact C-O 3.46Å; A30-K39 VanDerWaalsContact CA-O 3.27Å; A30-K39 WeakPolarHBondContact CA-O 3.23Å; A30-V40 HydrophobicContact CB-CG2 4.3Å; A30-I76 HydrophobicContact CB-CG2 3.67Å; A30-W78 HydrophobicContact CB-CZ2 4.29Å; A30-I85 HydrophobicContact CB-CD1 4.35Å
31C95.4Very high91.7Very high0 Ų023.9 Ų23.90%012%0.122CC..EExtended strand (participates in β ladder)trans-135.6138.7174.961.10000111.7L17 S19 A20 L38 K39 I76L17-C31 HydrophobicContact CD1-CB 4.45Å; L17-C31 HydrophobicContact CD2-CB 3.97Å; S19-C31 WeakPolarHBondContact O-CA 3.36Å; A20-C31 HydrophobicContact CB-CB 4.37Å; C31-L38 WeakPolarHBondContact O-CA 3.41Å; C31-K39 PolarHBondContact N-O 3.46Å; C31-K39 PolarHBondContact O-N 3.33Å; C31-I76 VanDerWaalsContact C-CD1 3.49Å
32G95.4Very high91.5Very high0 Ų024.8 Ų24.80%012%0.123CC..EExtended strand (participates in β ladder)trans-119.5146.6-178.100000110.7L17 K18 S19 L37L17-G32 CarbonylContact C-O 3.55Å; L17-G32 WeakPolarHBondContact CA-O 3.12Å; K18-G32 PolarHBondContact N-O 3.47Å; S19-G32 PolarHBondContact N-O 3.05Å; S19-G32 VanDerWaalsContact N-O 3.11Å; S19-G32 PolarHBondContact O-N 2.96Å; G32-L37 CarbonylContact C-O 3.56Å; G32-L37 VanDerWaalsContact CA-O 3.23Å; G32-L37 WeakPolarHBondContact CA-O 3.32Å
33G94.7Very high91.1Very high0 Ų024.9 Ų24.90%012%0.124CC..EExtended strand (participates in β ladder)trans-151-161.2-177.900000113.9K16 L37 D72 V73K16-G33 CarbonylContact O-C 3.53Å; K16-G33 WeakPolarHBondContact O-CA 3.36Å; G33-L37 PolarHBondContact N-O 3.45Å; G33-D72 WeakPolarHBondContact O-CA 3.27Å; G33-V73 PolarHBondContact O-N 3.11Å
34E94.5Very high90.5Very high44 Ų4428.8 Ų28.821%0.20614%0.142CC..SBendtrans-66153.5178.8-65.9174.5167.300111.9K16 K18 G36 L37 D72K16-E34 HydrophobicContact CB-CG 4.21Å; K16-E34 WeakPolarHBondContact CB-OE2 3.34Å; K16-E34 PolarHBondContact N-OE2 3.4Å; K16-E34 PolarHBondContact O-N 3.4Å; K18-E34 VanDerWaalsContact CE-CG 3.41Å; K18-E34 WeakPolarHBondContact CE-OE1 3.5Å; K18-E34 IonicContact NZ-OE1 3.99Å; K18-E34 PolarHBondContact NZ-OE1 3.38Å; E34-G36 PolarHBondContact O-N 3.26Å; E34-L37 VanDerWaalsContact O-CB 3.3Å; E34-L37 WeakPolarHBondContact O-CB 3.44Å; E34-L37 PolarHBondContact O-N 3.23Å; E34-D72 VanDerWaalsContact CA-OD1 3.28Å; E34-D72 WeakPolarHBondContact CA-OD1 3.43Å
35D92Very high89.8Confident138 Ų13827.9 Ų27.974%0.73814%0.143SC*.THydrogen-bonded Turntrans57.740.2174.2-54.6-41.6000114.3L37 D72D35-L37 PolarHBondContact O-N 3.36Å; D35-D72 PolarHBondContact N-OD1 3.17Å
36G91.8Very high88.9Confident8 Ų827.2 Ų27.28%0.08214%0.14CC..THydrogen-bonded Turntrans74.87.5177.200000114.7E34 L38 H69 D71E34-G36 PolarHBondContact O-N 3.26Å; G36-L38 PolarHBondContact O-N 3.42Å; G36-H69 WeakPolarHBondContact CA-O 3.32Å; G36-D71 WeakPolarHBondContact CA-O 3.31Å; G36-D71 PolarHBondContact N-O 2.92Å; G36-D71 VanDerWaalsContact N-O 3.14Å
37L94.1Very high87.5Confident23 Ų2332.8 Ų32.812%0.1217%0.171CC..  trans-59.7116.5178.8177.383.3000110.4I11 A15 L17 G32 G33 E34 D35 K39I11-L37 HydrophobicContact CG2-CD1 4.12Å; I11-L37 HydrophobicContact CG2-CD2 3.26Å; I11-L37 HydrophobicContact CG2-CG 4.32Å; A15-L37 HydrophobicContact CB-CD2 4.04Å; L17-L37 HydrophobicContact CD2-CD2 3.86Å; G32-L37 CarbonylContact C-O 3.56Å; G32-L37 VanDerWaalsContact CA-O 3.23Å; G32-L37 WeakPolarHBondContact CA-O 3.32Å; G33-L37 PolarHBondContact N-O 3.45Å; E34-L37 VanDerWaalsContact O-CB 3.3Å; E34-L37 WeakPolarHBondContact O-CB 3.44Å; E34-L37 PolarHBondContact O-N 3.23Å; D35-L37 PolarHBondContact O-N 3.36Å; L37-K39 HydrophobicContact CD1-CD 4.17Å; L37-K39 HydrophobicContact CD1-CG 4.23Å
38L95.1Very high85.7Confident1 Ų140.2 Ų40.21%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-132.2126.4167.1-179.259.2000109.5C31 G36 T65 L66 V73 I76 W97C31-L38 WeakPolarHBondContact O-CA 3.41Å; G36-L38 PolarHBondContact O-N 3.42Å; L38-T65 WeakPolarHBondContact O-CA 3.5Å; L38-L66 HydrophobicContact CB-CB 4.24Å; L38-L66 HydrophobicContact CD2-CB 3.91Å; L38-L66 HydrophobicContact CD2-CD1 3.9Å; L38-L66 HydrophobicContact CD2-CG 4.4Å; L38-L66 HydrophobicContact CG-CB 3.96Å; L38-L66 HydrophobicContact CG-CD1 4.08Å; L38-L66 HydrophobicContact CG-CG 4.28Å; L38-L66 PolarHBondContact O-N 3.25Å; L38-V73 HydrophobicContact CB-CG2 4.47Å; L38-V73 HydrophobicContact CD1-CG1 4.43Å; L38-I76 HydrophobicContact CD1-CD1 3.5Å; L38-I76 HydrophobicContact CD1-CG1 4.21Å; L38-W97 HydrophobicContact CD2-CZ2 3.67Å
39K94.5Very high83.6Confident16 Ų1640.9 Ų40.97%0.0722%0.216CC..EExtended strand (participates in β ladder)trans-131.4143.7179-78.2-177.5166.7-114.70111.8I11 A30 C31 L37 N63 Q64 T65I11-K39 HydrophobicContact CD1-CD 4.37Å; A30-K39 CarbonylContact C-O 3.46Å; A30-K39 VanDerWaalsContact CA-O 3.27Å; A30-K39 WeakPolarHBondContact CA-O 3.23Å; C31-K39 PolarHBondContact N-O 3.46Å; C31-K39 PolarHBondContact O-N 3.33Å; L37-K39 HydrophobicContact CD1-CD 4.17Å; L37-K39 HydrophobicContact CD1-CG 4.23Å; K39-N63 PolarHBondContact NZ-OD1 2.87Å; K39-Q64 CarbonylContact C-O 3.48Å; K39-Q64 VanDerWaalsContact CA-O 3.3Å; K39-Q64 WeakPolarHBondContact CA-O 3.25Å; K39-T65 WeakPolarHBondContact CE-OG1 3.4Å; K39-T65 HydrophobicContact CG-CG2 4.45Å; K39-T65 PolarHBondContact NZ-OG1 3.49Å
40V94.7Very high81.6Confident0 Ų050.9 Ų50.90%026%0.259CS..EExtended strand (participates in β ladder)trans-118.3123.3170.4-176.40000109.4Y28 V29 A30 Q64 L66 I85Y28-V40 HydrophobicContact CD1-CG1 3.87Å; Y28-V40 HydrophobicContact CG-CG1 4.43Å; V29-V40 CarbonylContact O-C 3.47Å; V29-V40 WeakPolarHBondContact O-CA 3.4Å; A30-V40 HydrophobicContact CB-CG2 4.3Å; V40-Q64 PolarHBondContact N-O 2.98Å; V40-Q64 PolarHBondContact O-N 2.91Å; V40-L66 HydrophobicContact CG2-CD1 3.6Å; V40-L66 HydrophobicContact CG2-CG 4.11Å; V40-I85 HydrophobicContact CG1-CD1 4.33Å; V40-I85 HydrophobicContact CG2-CD1 3.63Å
41L93.1Very high79.5Confident1 Ų154.1 Ų54.11%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-111.4147.6-179.7-51.1177.4000108.9I9 Y28 V29 L60 M62 N63 L324I9-L41 HydrophobicContact CD1-CD1 3.99Å; I9-L41 HydrophobicContact CG2-CD1 4.49Å; Y28-L41 CarbonylContact C-O 3.57Å; Y28-L41 VanDerWaalsContact CA-O 3.25Å; Y28-L41 WeakPolarHBondContact CA-O 3.2Å; V29-L41 HydrophobicContact CB-CB 4.38Å; V29-L41 PolarHBondContact N-O 3.17Å; V29-L41 PolarHBondContact O-N 3.44Å; L41-L60 HydrophobicContact CB-CD1 4.03Å; L41-L60 HydrophobicContact CD2-CD1 4.35Å; L41-M62 CarbonylContact C-O 3.57Å; L41-M62 VanDerWaalsContact CA-O 3.3Å; L41-M62 WeakPolarHBondContact CA-O 3.22Å; L41-N63 HydrophobicContact CD2-CB 3.94Å; L41-N63 WeakPolarHBondContact CD2-OD1 3.47Å; L41-L324 HydrophobicContact CD1-CD2 3.73Å
42K90.4Very high77.4Confident42 Ų4260.6 Ų60.618%0.18330%0.303CS..EExtended strand (participates in β ladder)trans-123.6123.4169.1-164.1-172.9-169.1-169.80110.1Y28 E44 V61 M62Y28-K42 HydrophobicContact CD1-CB 3.76Å; Y28-K42 HydrophobicContact CD1-CD 4.33Å; Y28-K42 HydrophobicContact CD1-CG 3.89Å; Y28-K42 HydrophobicContact CE1-CB 3.72Å; Y28-K42 HydrophobicContact CE1-CD 3.65Å; Y28-K42 HydrophobicContact CE1-CG 3.73Å; Y28-K42 HydrophobicContact CE2-CD 4.43Å; Y28-K42 HydrophobicContact CG-CG 4.45Å; K42-E44 HydrophobicContact CD-CG 4.2Å; K42-E44 WeakPolarHBondContact CE-OE1 3.49Å; K42-E44 HydrophobicContact CG-CG 4.36Å; K42-E44 IonicContact NZ-OE1 3.87Å; K42-E44 PolarHBondContact NZ-OE1 3.15Å; K42-V61 PolarHBondContact O-N 3.13Å; K42-M62 HydrophobicContact CB-CB 3.54Å; K42-M62 PolarHBondContact N-O 3.48Å
43L84.2Confident75.6Confident6 Ų661.6 Ų61.63%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-106.6115.9174.7-67.7175000109.1W22 G27 N59 L60 F326W22-L43 HydrophobicContact CH2-CD1 4.28Å; W22-L43 HydrophobicContact CZ2-CD1 4.17Å; G27-L43 PolarHBondContact O-N 2.83Å; L43-N59 WeakPolarHBondContact CA-O 3.47Å; L43-L60 HydrophobicContact CD2-CB 4.29Å; L43-L60 HydrophobicContact CD2-CD1 4.02Å; L43-F326 HydrophobicContact CD1-CD1 3.88Å; L43-F326 HydrophobicContact CD1-CE1 3.28Å; L43-F326 HydrophobicContact CD1-CE2 4.23Å; L43-F326 HydrophobicContact CD1-CZ 3.49Å; L43-F326 VanDerWaalsContact CD1-CZ 3.49Å
44E77.9Confident74Confident81 Ų8163 Ų6338%0.37932%0.32SS..EExtended strand (participates in β ladder)trans-108.7137.7175.4-68.8-174.5170.100110.6K42 T58 N59 V61K42-E44 HydrophobicContact CD-CG 4.2Å; K42-E44 WeakPolarHBondContact CE-OE1 3.49Å; K42-E44 HydrophobicContact CG-CG 4.36Å; K42-E44 IonicContact NZ-OE1 3.87Å; K42-E44 PolarHBondContact NZ-OE1 3.15Å; E44-T58 CarbonylContact O-C 3.54Å; E44-T58 VanDerWaalsContact O-CA 3.23Å; E44-T58 WeakPolarHBondContact O-CA 3.5Å; E44-N59 PolarHBondContact N-O 3.45Å; E44-N59 PolarHBondContact O-N 2.93Å; E44-V61 HydrophobicContact CB-CG2 3.8Å; E44-V61 HydrophobicContact CG-CB 4.39Å; E44-V61 HydrophobicContact CG-CG2 3.97Å
45V70.4Confident72.1Confident60 Ų6061 Ų6136%0.36431%0.312SS..EExtended strand (participates in β ladder)trans-73.6128.4171-177.70000108.4N47 A56 T58V45-N47 PolarHBondContact O-N 3.24Å; V45-N47 VanDerWaalsContact O-N 3.12Å; V45-A56 HydrophobicContact CG1-CB 3.25Å; V45-T58 HydrophobicContact CG2-CG2 3.83Å
46Q62.5Low70.7Confident79 Ų7955.3 Ų55.337%0.36928%0.283SS..  trans-67.4110.5173.8-78.3-173-3300110.6D48 Q57 N59Q46-D48 PolarHBondContact O-N 2.83Å; Q46-Q57 PolarHBondContact N-O 3.43Å; Q46-N59 VanDerWaalsContact CD-ND2 3.29Å; Q46-N59 VanDerWaalsContact CG-ND2 3.31Å; Q46-N59 WeakPolarHBondContact CG-ND2 3.41Å; Q46-N59 PolarHBondContact NE2-ND2 3.17Å
47N53.8Low69.5Low154 Ų15459.5 Ų59.582%0.82430%0.301SS*.THydrogen-bonded Turntrans-69.2-18.8174.7-74-14.3000113.2V45 S49V45-N47 PolarHBondContact O-N 3.24Å; V45-N47 VanDerWaalsContact O-N 3.12Å; N47-S49 VanDerWaalsContact C-N 3.31Å; N47-S49 PolarHBondContact O-N 3.26Å
48D46.4Very low68.6Low169 Ų16959.7 Ų59.790%0.90430%0.303SS*.THydrogen-bonded Turntrans-84.722.1-170.2-80.2-19.4000115.9Q46Q46-D48 PolarHBondContact O-N 2.83Å
49S45.1Very low67.7Low37 Ų3763 Ų6326%0.25932%0.32SS..SBendtrans-121.1146-177.4690000111.9N47 H51N47-S49 VanDerWaalsContact C-N 3.31Å; N47-S49 PolarHBondContact O-N 3.26Å; S49-H51 PolarHBondContact O-N 2.73Å; S49-H51 PolarHBondContact OG-O 2.72Å
50K51.6Low67.3Low209 Ų20965.3 Ų65.391%0.90933%0.334SS*.SBendtrans-57.810.9168.2-67.2-179.2175.9-177.80113.5
51H52Low66.9Low68 Ų6869.4 Ų69.432%0.31536%0.358SS..  trans-127.590.9-167.6-54.3-56.1000109.1S49 H639S49-H51 PolarHBondContact O-N 2.73Å; S49-H51 PolarHBondContact OG-O 2.72Å; H51-H639 AromaticContact CD2-CD2 3.95Å; H51-H639 PolarHBondContact CE1-O 3.13Å; H51-H639 PolarHBondContact ND1-O 3.11Å; H51-H639 VanDerWaalsContact ND1-O 3.1Å
52K51.4Low66.7Low137 Ų13771.2 Ų71.260%0.59637%0.367SS*.  trans-83.5161.4170.2-63.6179.6179.8175.70110.4E659K52-E659 HydrophobicContact CB-CG 4.31Å
53G58.2Low66.7Low21 Ų2173.2 Ų73.222%0.21638%0.38CS..G310 helixtrans89.8-159.9172.100000116.4A55 A56 E659G53-A55 PolarHBondContact O-N 3.37Å; G53-A56 VanDerWaalsContact O-CB 3.26Å; G53-A56 WeakPolarHBondContact O-CB 3.48Å; G53-A56 PolarHBondContact O-N 3.27Å; G53-E659 WeakPolarHBondContact CA-OE1 3.43Å; G53-E659 PolarHBondContact N-OE1 3.01Å; G53-E659 VanDerWaalsContact N-OE1 3.12Å
54L61.1Low67.2Low29 Ų2975.1 Ų75.115%0.15239%0.388CS..G310 helixtrans-55.3-18.9179.7-82.1160.3000113.8L314 N328 L329L54-L314 HydrophobicContact CD2-CB 4.45Å; L54-N328 HydrophobicContact CD2-CB 4.48Å; L54-L329 WeakPolarHBondContact CD1-O 3.42Å; L54-L329 WeakPolarHBondContact CD2-O 3.47Å
55A54.2Low67.9Low3 Ų374.4 Ų74.43%0.02539%0.39CS..G310 helixtrans-74.8-19.7172.100000113.8G53 Q57 H639 S641G53-A55 PolarHBondContact O-N 3.37Å; A55-Q57 PolarHBondContact O-N 3.08Å; A55-H639 PolarHBondContact O-CE1 3.09Å; A55-H639 PolarHBondContact O-NE2 3.31Å; A55-S641 WeakPolarHBondContact CB-OG 3.42Å; A55-S641 PolarHBondContact N-OG 3.43Å
56A63.1Low69.1Low17 Ų1771.7 Ų71.714%0.1437%0.373CS..  trans-63.7126.2-170.600000111.1V45 G53V45-A56 HydrophobicContact CG1-CB 3.25Å; G53-A56 VanDerWaalsContact O-CB 3.26Å; G53-A56 WeakPolarHBondContact O-CB 3.48Å; G53-A56 PolarHBondContact O-N 3.27Å
57Q66.3Low70.5Confident96 Ų9675.9 Ų75.945%0.44939%0.393SS..  trans-72.1136.5-178.1-67.8-175.23.500109.8Q46 A55Q46-Q57 PolarHBondContact N-O 3.43Å; A55-Q57 PolarHBondContact O-N 3.08Å
58T74.4Confident72.2Confident28 Ų2870.2 Ų70.217%0.17237%0.371CS..EExtended strand (participates in β ladder)trans-107.5123.3178.861.20000112K7 E44 V45K7-T58 PolarHBondContact NZ-O 2.92Å; E44-T58 CarbonylContact O-C 3.54Å; E44-T58 VanDerWaalsContact O-CA 3.23Å; E44-T58 WeakPolarHBondContact O-CA 3.5Å; V45-T58 HydrophobicContact CG2-CG2 3.83Å
59N76.7Confident74.5Confident69 Ų6963 Ų6337%0.36933%0.332SS..EExtended strand (participates in β ladder)trans-90.8144176.6-71.3-19.1000110.5L43 E44 Q46 V61L43-N59 WeakPolarHBondContact CA-O 3.47Å; E44-N59 PolarHBondContact N-O 3.45Å; E44-N59 PolarHBondContact O-N 2.93Å; Q46-N59 VanDerWaalsContact CD-ND2 3.29Å; Q46-N59 VanDerWaalsContact CG-ND2 3.31Å; Q46-N59 WeakPolarHBondContact CG-ND2 3.41Å; Q46-N59 PolarHBondContact NE2-ND2 3.17Å; N59-V61 HydrophobicContact CB-CG2 4.29Å; N59-V61 PolarHBondContact O-N 2.68Å
60L85.3Confident76.7Confident66 Ų6665.4 Ų65.435%0.34635%0.349SS..EExtended strand (participates in β ladder)trans-81.3105169.3-178.468.5000107.2I9 L41 L43 M62 N63I9-L60 HydrophobicContact CD1-CD1 4.27Å; L41-L60 HydrophobicContact CB-CD1 4.03Å; L41-L60 HydrophobicContact CD2-CD1 4.35Å; L43-L60 HydrophobicContact CD2-CB 4.29Å; L43-L60 HydrophobicContact CD2-CD1 4.02Å; L60-M62 VanDerWaalsContact CD1-O 3.24Å; L60-M62 WeakPolarHBondContact CD1-O 3.43Å; L60-N63 HydrophobicContact CD2-CB 4.25Å
61V87.9Confident78.7Confident85 Ų8557.3 Ų57.352%0.51532%0.315SS..EExtended strand (participates in β ladder)trans-96.1-25.8-175-178.30000111.6K42 E44 N59K42-V61 PolarHBondContact O-N 3.13Å; E44-V61 HydrophobicContact CB-CG2 3.8Å; E44-V61 HydrophobicContact CG-CB 4.39Å; E44-V61 HydrophobicContact CG-CG2 3.97Å; N59-V61 HydrophobicContact CB-CG2 4.29Å; N59-V61 PolarHBondContact O-N 2.68Å
62M88.1Confident80.7Confident40 Ų4055.3 Ų55.320%0.19731%0.307CS..EExtended strand (participates in β ladder)trans-135.4142.5175.6-172.3179.4-75.200110.7Y28 L41 K42 L60 G102Y28-M62 HydrophobicContact CD1-SD 4.43Å; Y28-M62 HydrophobicContact CE1-CE 4.25Å; Y28-M62 HydrophobicContact CE1-SD 3.74Å; L41-M62 CarbonylContact C-O 3.57Å; L41-M62 VanDerWaalsContact CA-O 3.3Å; L41-M62 WeakPolarHBondContact CA-O 3.22Å; K42-M62 HydrophobicContact CB-CB 3.54Å; K42-M62 PolarHBondContact N-O 3.48Å; L60-M62 VanDerWaalsContact CD1-O 3.24Å; L60-M62 WeakPolarHBondContact CD1-O 3.43Å; M62-G102 VanDerWaalsContact CE-O 3.26Å; M62-G102 WeakPolarHBondContact CE-O 3.17Å
63N91.3Very high82.9Confident84 Ų8448.8 Ų48.845%0.44928%0.278SS..EExtended strand (participates in β ladder)trans-149.588172-179.3-2.5000107.9K39 L41 L60K39-N63 PolarHBondContact NZ-OD1 2.87Å; L41-N63 HydrophobicContact CD2-CB 3.94Å; L41-N63 WeakPolarHBondContact CD2-OD1 3.47Å; L60-N63 HydrophobicContact CD2-CB 4.25Å
64Q93.5Very high84.5Confident45 Ų4551.3 Ų51.321%0.2129%0.285CS..EExtended strand (participates in β ladder)trans-106131.3-178.9-172.5-179.3-13.200109.5K39 V40 L66 W104K39-Q64 CarbonylContact C-O 3.48Å; K39-Q64 VanDerWaalsContact CA-O 3.3Å; K39-Q64 WeakPolarHBondContact CA-O 3.25Å; V40-Q64 PolarHBondContact N-O 2.98Å; V40-Q64 PolarHBondContact O-N 2.91Å; Q64-L66 HydrophobicContact CG-CD2 3.9Å; Q64-W104 PolarHBondContact NE2-O 3.07Å
65T93.8Very high86.1Confident66 Ų6650.6 Ų50.641%0.40528%0.281SS..EExtended strand (participates in β ladder)trans-87134.2164.8-53.10000108.2L38 K39L38-T65 WeakPolarHBondContact O-CA 3.5Å; K39-T65 WeakPolarHBondContact CE-OG1 3.4Å; K39-T65 HydrophobicContact CG-CG2 4.45Å; K39-T65 PolarHBondContact NZ-OG1 3.49Å
66L94.5Very high88.1Confident4 Ų451 Ų512%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-102.5122.9175.3-52.6-172.4000108.3L38 V40 Q64 W97 W104L38-L66 HydrophobicContact CB-CB 4.24Å; L38-L66 HydrophobicContact CD2-CB 3.91Å; L38-L66 HydrophobicContact CD2-CD1 3.9Å; L38-L66 HydrophobicContact CD2-CG 4.4Å; L38-L66 HydrophobicContact CG-CB 3.96Å; L38-L66 HydrophobicContact CG-CD1 4.08Å; L38-L66 HydrophobicContact CG-CG 4.28Å; L38-L66 PolarHBondContact O-N 3.25Å; V40-L66 HydrophobicContact CG2-CD1 3.6Å; V40-L66 HydrophobicContact CG2-CG 4.11Å; Q64-L66 HydrophobicContact CG-CD2 3.9Å; L66-W97 HydrophobicContact CB-CD2 4.46Å; L66-W97 HydrophobicContact CB-CE3 4.17Å; L66-W97 HydrophobicContact CB-CH2 3.74Å; L66-W97 HydrophobicContact CB-CZ2 4.02Å; L66-W97 HydrophobicContact CB-CZ3 3.8Å; L66-W97 HydrophobicContact CD1-CD2 3.67Å; L66-W97 HydrophobicContact CD1-CE3 3.85Å; L66-W97 HydrophobicContact CD1-CG 3.97Å; L66-W97 HydrophobicContact CD1-CZ3 4.35Å; L66-W97 HydrophobicContact CD2-CE3 4.48Å; L66-W97 HydrophobicContact CG-CE3 4.39Å; L66-W97 HydrophobicContact CG-CZ3 4.46Å; L66-W104 HydrophobicContact CD1-CB 4.28Å; L66-W104 HydrophobicContact CD2-CB 3.57Å; L66-W104 HydrophobicContact CD2-CG 4.44Å
67E91.2Very high89.6Confident167 Ų16751 Ų5178%0.7828%0.28SS*.PPolyproline II helixtrans-101.8125.6-179.3-64.1179.2179.300108.4W97E67-W97 WeakPolarHBondContact O-CH2 3.31Å
68G90.1Very high90.8Very high35 Ų3547.4 Ų47.436%0.36126%0.263SS..  trans174.9-35.7-18000000113.2E106G68-E106 WeakPolarHBondContact CA-OE1 3.23Å
69H93.7Very high91.7Very high17 Ų1746.1 Ų46.18%0.07926%0.255CS..  trans-86.1141.4172.5-69.4-69.3000111.7G36 V73 S87 D89 L93G36-H69 WeakPolarHBondContact CA-O 3.32Å; H69-V73 HydrophobicContact CB-CG2 3.85Å; H69-S87 PolarHBondContact NE2-OG 2.93Å; H69-D89 HydrophobicContact CB-CB 4.43Å; H69-D89 IonicContact CE1-OD2 3.89Å; H69-D89 IonicContact CG-OD2 3.83Å; H69-D89 WeakPolarHBondContact ND1-CB 3.46Å; H69-D89 IonicContact ND1-OD2 2.91Å; H69-D89 PolarHBondContact ND1-OD2 3.39Å; H69-L93 PolarHBondContact CE1-O 3.18Å
70S92.4Very high92.3Very high88 Ų8844.3 Ų44.362%0.61524%0.244SC*.SBendtrans-99.4-13.8172.750.70000113.6
71D93.5Very high92.4Very high39 Ų3946.2 Ų46.221%0.20925%0.25CC..SBendtrans-131.7170-168.3-72.1-92.5000111.3G36 V73 D89 Q90 N91G36-D71 WeakPolarHBondContact CA-O 3.31Å; G36-D71 PolarHBondContact N-O 2.92Å; G36-D71 VanDerWaalsContact N-O 3.14Å; D71-V73 PolarHBondContact O-N 3.39Å; D71-D89 HydrophobicContact CB-CB 4.18Å; D71-Q90 HydrophobicContact CB-CG 3.75Å; D71-Q90 PolarHBondContact OD1-NE2 3.35Å; D71-N91 PolarHBondContact OD1-ND2 3.41Å; D71-N91 PolarHBondContact OD2-ND2 2.7Å
72D94.8Very high92.5Very high25 Ų2546.8 Ų46.813%0.13425%0.245CC..  trans-51.7122.7-176.2-69.813.8000112.9K18 G33 E34 D35 Q74 D89 Q90K18-D72 WeakPolarHBondContact CE-OD2 3.34Å; K18-D72 IonicContact NZ-OD2 2.88Å; G33-D72 WeakPolarHBondContact O-CA 3.27Å; E34-D72 VanDerWaalsContact CA-OD1 3.28Å; E34-D72 WeakPolarHBondContact CA-OD1 3.43Å; D35-D72 PolarHBondContact N-OD1 3.17Å; D72-Q74 PolarHBondContact O-N 3.49Å; D72-D89 CarbonylContact O-C 3.49Å; D72-D89 WeakPolarHBondContact O-CA 3.43Å; D72-D89 WeakPolarHBondContact O-CB 3.49Å; D72-Q90 PolarHBondContact O-N 3.45Å
73V95.9Very high92.6Very high0 Ų051.4 Ų51.40%026%0.26CS..EExtended strand (participates in β ladder)trans-83.3106.6-179.5-177.70000110.5S19 G33 L38 H69 D71 I76 S88S19-V73 PolarHBondContact OG-O 3.14Å; S19-V73 VanDerWaalsContact OG-O 3.05Å; G33-V73 PolarHBondContact O-N 3.11Å; L38-V73 HydrophobicContact CB-CG2 4.47Å; L38-V73 HydrophobicContact CD1-CG1 4.43Å; H69-V73 HydrophobicContact CB-CG2 3.85Å; D71-V73 PolarHBondContact O-N 3.39Å; V73-I76 HydrophobicContact CG1-CD1 4.19Å; V73-I76 HydrophobicContact CG1-CG1 4.02Å; V73-S88 CarbonylContact C-O 3.53Å
74Q92.8Very high92.7Very high75 Ų7548.4 Ų48.435%0.3524%0.244SC..EExtended strand (participates in β ladder)trans-93.3-33.1-169.4-61.9-61.4-35.100114.1S19 D72 S88 Q90S19-Q74 WeakPolarHBondContact CB-O 3.5Å; D72-Q74 PolarHBondContact O-N 3.49Å; Q74-S88 PolarHBondContact N-O 2.94Å; Q74-Q90 HydrophobicContact CG-CB 4.26Å
75V94.4Very high92.8Very high14 Ų1446.3 Ų46.39%0.08523%0.234CC..EExtended strand (participates in β ladder)trans-132.3136-174.4-174.20000109.8I77 S87 S88 M120V75-I77 HydrophobicContact CG1-CG2 4.25Å; V75-S87 CarbonylContact O-C 3.56Å; V75-S87 VanDerWaalsContact O-CA 3.28Å; V75-S87 WeakPolarHBondContact O-CA 3.33Å; V75-S88 WeakPolarHBondContact CB-OG 3.32Å; V75-S88 PolarHBondContact N-O 3.21Å; V75-S88 PolarHBondContact O-N 2.87Å; V75-M120 HydrophobicContact CB-CE 3.86Å; V75-M120 HydrophobicContact CG1-CB 4.36Å; V75-M120 HydrophobicContact CG1-CE 3.7Å
76I95.9Very high92.9Very high11 Ų1143.1 Ų43.16%0.05621%0.214CC..EExtended strand (participates in β ladder)trans-140.1126.6175.6-60173.7000108.7S19 A30 C31 L38 V73 I85 T86S19-I76 WeakPolarHBondContact OG-CD1 3.47Å; A30-I76 HydrophobicContact CB-CG2 3.67Å; C31-I76 VanDerWaalsContact C-CD1 3.49Å; L38-I76 HydrophobicContact CD1-CD1 3.5Å; L38-I76 HydrophobicContact CD1-CG1 4.21Å; V73-I76 HydrophobicContact CG1-CD1 4.19Å; V73-I76 HydrophobicContact CG1-CG1 4.02Å; I76-I85 HydrophobicContact CG2-CG2 3.87Å; I76-T86 CarbonylContact C-O 3.52Å; I76-T86 WeakPolarHBondContact CA-O 3.47Å
77I94.4Very high93Very high16 Ų1643 Ų438%0.08221%0.213CC..EExtended strand (participates in β ladder)trans-138.6162.6-179.662.1169.9000113.9V75 T86 M120 W122 I129V75-I77 HydrophobicContact CG1-CG2 4.25Å; I77-T86 PolarHBondContact N-O 3.35Å; I77-T86 PolarHBondContact O-N 3.1Å; I77-M120 HydrophobicContact CD1-CB 3.53Å; I77-M120 HydrophobicContact CG1-CB 4.42Å; I77-M120 VanDerWaalsContact CG2-O 3.22Å; I77-M120 WeakPolarHBondContact CG2-O 3.49Å; I77-W122 VanDerWaalsContact CD1-CD1 3.4Å; I77-W122 HydrophobicContact CD1-CG 4.36Å; I77-I129 HydrophobicContact CD1-CD1 3.85Å; I77-I129 HydrophobicContact CD1-CG1 4.25Å
78W92.5Very high93.3Very high21 Ų2135 Ų358%0.0818%0.176CC..EExtended strand (participates in β ladder)trans-109.9136-175.6-73.8101.1000113.9S21 Y28 A30 E80 I85 W104S21-W78 PolarHBondContact O-NE1 3.19Å; S21-W78 PolarHBondContact OG-NE1 3.39Å; Y28-W78 HydrophobicContact CG-CH2 4.47Å; A30-W78 HydrophobicContact CB-CZ2 4.29Å; W78-E80 HydrophobicContact CB-CG 4.33Å; W78-I85 HydrophobicContact CD2-CG1 4.39Å; W78-I85 HydrophobicContact CE3-CG1 3.89Å; W78-I85 HydrophobicContact CH2-CD1 3.56Å; W78-I85 HydrophobicContact CH2-CG1 3.47Å; W78-I85 VanDerWaalsContact CH2-CG1 3.47Å; W78-I85 HydrophobicContact CZ2-CD1 4.13Å; W78-I85 HydrophobicContact CZ2-CG1 4.02Å; W78-I85 HydrophobicContact CZ3-CD1 3.97Å; W78-I85 HydrophobicContact CZ3-CG1 3.4Å; W78-I85 VanDerWaalsContact CZ3-CG1 3.4Å; W78-W104 HydrophobicContact CH2-CH2 4.28Å; W78-W104 HydrophobicContact CH2-CZ2 4.3Å; W78-W104 AromaticContact CZ3-CH2 3.91Å; W78-W104 HydrophobicContact CZ3-CH2 3.91Å; W78-W104 HydrophobicContact CZ3-CZ2 4.34Å
79N92.7Very high93.5Very high2 Ų233.4 Ų33.41%0.01116%0.159CC..EExtended strand (participates in β ladder)trans-104.392.5153.6-168.7-27.6000108.3K81 F82 R83 K84 W122 G126N79-K81 VanDerWaalsContact C-N 3.34Å; N79-K81 PolarHBondContact O-N 3.28Å; N79-K81 PolarHBondContact OD1-N 3.33Å; N79-F82 WeakPolarHBondContact ND2-CD2 3.38Å; N79-F82 PolarHBondContact O-N 3.41Å; N79-F82 WeakPolarHBondContact OD1-CD2 3.44Å; N79-F82 PolarHBondContact OD1-N 3.1Å; N79-F82 VanDerWaalsContact OD1-N 3.08Å; N79-R83 WeakPolarHBondContact O-CA 3.36Å; N79-R83 PolarHBondContact O-N 3.32Å; N79-K84 HydrophobicContact CB-CB 4.15Å; N79-K84 PolarHBondContact N-O 3.16Å; N79-K84 PolarHBondContact O-N 3.27Å; N79-K84 VanDerWaalsContact O-N 3.11Å; N79-W122 HydrophobicContact CB-CD2 3.76Å; N79-W122 HydrophobicContact CB-CE3 4.22Å; N79-W122 HydrophobicContact CB-CG 4.11Å; N79-W122 HydrophobicContact CB-CH2 4.39Å; N79-W122 HydrophobicContact CB-CZ2 3.94Å; N79-W122 WeakPolarHBondContact ND2-CH2 3.37Å; N79-W122 WeakPolarHBondContact ND2-CZ3 3.35Å; N79-G126 PolarHBondContact ND2-O 3.23Å
80E88.7Confident93.4Very high30 Ų3036.2 Ų36.214%0.1417%0.173CC..THydrogen-bonded Turntrans-60.7-45.5-178.9-57.7-69.7179.800110.5S23 K24 E25 W78 F82 R83S23-E80 VanDerWaalsContact CA-OE1 3.29Å; S23-E80 WeakPolarHBondContact CA-OE1 3.32Å; S23-E80 PolarHBondContact OG-OE2 3.18Å; K24-E80 PolarHBondContact N-OE1 2.83Å; E25-E80 HydrophobicContact CG-CB 4.47Å; W78-E80 HydrophobicContact CB-CG 4.33Å; E80-F82 VanDerWaalsContact C-N 3.33Å; E80-F82 PolarHBondContact O-N 2.94Å; E80-R83 PolarHBondContact O-N 3.29Å
81K88.8Confident93.4Very high107 Ų10736.2 Ų36.247%0.46517%0.166SC..THydrogen-bonded Turntrans-58.8-39.8-177.7-75.8179.1169.3175.50113.5N79 S124 D125N79-K81 VanDerWaalsContact C-N 3.34Å; N79-K81 PolarHBondContact O-N 3.28Å; N79-K81 PolarHBondContact OD1-N 3.33Å; K81-S124 WeakPolarHBondContact CE-O 3.23Å; K81-S124 PolarHBondContact NZ-O 2.87Å; K81-D125 WeakPolarHBondContact CD-O 3.24Å; K81-D125 VanDerWaalsContact NZ-CA 3.34Å; K81-D125 IonicContact NZ-OD1 2.7Å; K81-D125 PolarHBondContact NZ-OD1 3.5Å
82F90Very high93.3Very high96 Ų9634.4 Ų34.442%0.42116%0.156SC..THydrogen-bonded Turntrans-103.22.7-179.6-67-87.4000114.1N79 E80 K84 G126 V143N79-F82 WeakPolarHBondContact ND2-CD2 3.38Å; N79-F82 PolarHBondContact O-N 3.41Å; N79-F82 WeakPolarHBondContact OD1-CD2 3.44Å; N79-F82 PolarHBondContact OD1-N 3.1Å; N79-F82 VanDerWaalsContact OD1-N 3.08Å; E80-F82 VanDerWaalsContact C-N 3.33Å; E80-F82 PolarHBondContact O-N 2.94Å; F82-K84 VanDerWaalsContact C-N 3.31Å; F82-K84 HydrophobicContact CB-CD 4.31Å; F82-K84 HydrophobicContact CB-CG 4.12Å; F82-K84 WeakPolarHBondContact O-CG 3.22Å; F82-K84 PolarHBondContact O-N 3.26Å; F82-G126 WeakPolarHBondContact CD2-O 3.34Å; F82-G126 WeakPolarHBondContact CE2-O 3.44Å; F82-V143 HydrophobicContact CB-CG2 4.38Å; F82-V143 HydrophobicContact CD1-CG2 4.29Å; F82-V143 HydrophobicContact CD2-CG2 3.83Å; F82-V143 HydrophobicContact CE2-CB 4.49Å; F82-V143 HydrophobicContact CE2-CG1 4.29Å; F82-V143 HydrophobicContact CE2-CG2 4.12Å; F82-V143 HydrophobicContact CG-CG2 3.91Å; F82-V143 HydrophobicContact CZ-CG1 4.16Å; F82-V143 HydrophobicContact CZ-CG2 4.47Å
83R90.1Very high93.4Very high137 Ų13734.6 Ų34.652%0.51716%0.157SC..THydrogen-bonded Turntrans53.844-177.7-53.5-168.8171.3174.6-0.3113.6H26 N79 E80 W104H26-R83 PolarHBondContact CE1-NE 3.49Å; H26-R83 PolarHBondContact CE1-NH2 2.97Å; H26-R83 WeakPolarHBondContact NE2-CG 3.41Å; H26-R83 PolarHBondContact NE2-NE 2.82Å; N79-R83 WeakPolarHBondContact O-CA 3.36Å; N79-R83 PolarHBondContact O-N 3.32Å; E80-R83 PolarHBondContact O-N 3.29Å; R83-W104 WeakPolarHBondContact O-CH2 3.28Å; R83-W104 WeakPolarHBondContact O-CZ3 3.34Å
84K93.2Very high93.4Very high22 Ų2234.9 Ų34.910%0.09616%0.159CC..EExtended strand (participates in β ladder)trans-112.5146.7179.1-55.5-175.7-179.2-165.20111.2N79 F82 V96 W97 E107N79-K84 HydrophobicContact CB-CB 4.15Å; N79-K84 PolarHBondContact N-O 3.16Å; N79-K84 PolarHBondContact O-N 3.27Å; N79-K84 VanDerWaalsContact O-N 3.11Å; F82-K84 VanDerWaalsContact C-N 3.31Å; F82-K84 HydrophobicContact CB-CD 4.31Å; F82-K84 HydrophobicContact CB-CG 4.12Å; F82-K84 WeakPolarHBondContact O-CG 3.22Å; F82-K84 PolarHBondContact O-N 3.26Å; K84-V96 HydrophobicContact CB-CG1 4.13Å; K84-V96 HydrophobicContact CD-CG1 3.94Å; K84-W97 VanDerWaalsContact CA-O 3.29Å; K84-W97 WeakPolarHBondContact CA-O 2.95Å; K84-E107 VanDerWaalsContact CD-OE2 3.24Å; K84-E107 WeakPolarHBondContact CD-OE2 3.45Å; K84-E107 WeakPolarHBondContact CE-OE2 3.23Å; K84-E107 IonicContact NZ-OE1 2.81Å; K84-E107 PolarHBondContact NZ-OE1 2.96Å; K84-E107 IonicContact NZ-OE2 2.97Å; K84-E107 PolarHBondContact NZ-OE2 3.32Å
85I95.2Very high93.5Very high0 Ų031.4 Ų31.40%014%0.142CC..EExtended strand (participates in β ladder)trans-107.6138.2170.1-60.9166000107.3A30 V40 I76 W78 V96 W97 W104A30-I85 HydrophobicContact CB-CD1 4.35Å; V40-I85 HydrophobicContact CG1-CD1 4.33Å; V40-I85 HydrophobicContact CG2-CD1 3.63Å; I76-I85 HydrophobicContact CG2-CG2 3.87Å; W78-I85 HydrophobicContact CD2-CG1 4.39Å; W78-I85 HydrophobicContact CE3-CG1 3.89Å; W78-I85 HydrophobicContact CH2-CD1 3.56Å; W78-I85 HydrophobicContact CH2-CG1 3.47Å; W78-I85 VanDerWaalsContact CH2-CG1 3.47Å; W78-I85 HydrophobicContact CZ2-CD1 4.13Å; W78-I85 HydrophobicContact CZ2-CG1 4.02Å; W78-I85 HydrophobicContact CZ3-CD1 3.97Å; W78-I85 HydrophobicContact CZ3-CG1 3.4Å; W78-I85 VanDerWaalsContact CZ3-CG1 3.4Å; I85-V96 CarbonylContact O-C 3.52Å; I85-V96 WeakPolarHBondContact O-CA 3.24Å; I85-W97 HydrophobicContact CB-CB 4.21Å; I85-W97 PolarHBondContact N-O 3.26Å; I85-W97 PolarHBondContact O-N 2.82Å; I85-W104 HydrophobicContact CB-CZ3 4.42Å; I85-W104 HydrophobicContact CD1-CD2 4.01Å; I85-W104 HydrophobicContact CD1-CE3 3.85Å; I85-W104 HydrophobicContact CD1-CH2 3.69Å; I85-W104 HydrophobicContact CD1-CZ2 3.84Å; I85-W104 HydrophobicContact CD1-CZ3 3.69Å; I85-W104 HydrophobicContact CG1-CE3 4.3Å; I85-W104 HydrophobicContact CG1-CH2 3.82Å; I85-W104 HydrophobicContact CG1-CZ2 4.44Å; I85-W104 HydrophobicContact CG1-CZ3 3.74Å
86T96.2Very high93.6Very high0 Ų031.7 Ų31.70%014%0.144CC..EExtended strand (participates in β ladder)trans-118.7124.3170-50.70000108.7I76 I77 I94 I95 V96 M120 W122 I129I76-T86 CarbonylContact C-O 3.52Å; I76-T86 WeakPolarHBondContact CA-O 3.47Å; I77-T86 PolarHBondContact N-O 3.35Å; I77-T86 PolarHBondContact O-N 3.1Å; T86-I94 HydrophobicContact CG2-CG2 3.54Å; T86-I95 WeakPolarHBondContact CA-O 3.41Å; T86-V96 HydrophobicContact CG2-CG2 4.11Å; T86-M120 HydrophobicContact CG2-CE 4.23Å; T86-M120 HydrophobicContact CG2-SD 4.11Å; T86-W122 PolarHBondContact OG1-NE1 3.21Å; T86-I129 HydrophobicContact CG2-CD1 4.05Å
87S96.8Very high93.6Very high0 Ų031.4 Ų31.40%014%0.142CC..EExtended strand (participates in β ladder)trans-118.3151177.859.50000111H69 V75 I94 I95 W97H69-S87 PolarHBondContact NE2-OG 2.93Å; V75-S87 CarbonylContact O-C 3.56Å; V75-S87 VanDerWaalsContact O-CA 3.28Å; V75-S87 WeakPolarHBondContact O-CA 3.33Å; S87-I94 CarbonylContact O-C 3.58Å; S87-I94 VanDerWaalsContact O-CA 3.27Å; S87-I94 WeakPolarHBondContact O-CA 3.5Å; S87-I95 PolarHBondContact N-O 2.8Å; S87-I95 PolarHBondContact O-N 3.01Å; S87-W97 PolarHBondContact OG-NE1 3.14Å
88S96.2Very high93.6Very high0 Ų033.8 Ų33.80%015%0.154CC..EExtended strand (participates in β ladder)trans-138.2147.1168.371.30000113.4V73 Q74 V75 L93 M120V73-S88 CarbonylContact C-O 3.53Å; Q74-S88 PolarHBondContact N-O 2.94Å; V75-S88 WeakPolarHBondContact CB-OG 3.32Å; V75-S88 PolarHBondContact N-O 3.21Å; V75-S88 PolarHBondContact O-N 2.87Å; S88-L93 CarbonylContact C-O 3.55Å; S88-L93 WeakPolarHBondContact CA-O 3.4Å; S88-L93 WeakPolarHBondContact CB-O 3.2Å; S88-M120 WeakPolarHBondContact OG-CE 3.47Å
89D95Very high93.5Very high1 Ų135.3 Ų35.31%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-98175.117464.531.4000113.8H69 D71 D72 N91 G92 L93H69-D89 HydrophobicContact CB-CB 4.43Å; H69-D89 IonicContact CE1-OD2 3.89Å; H69-D89 IonicContact CG-OD2 3.83Å; H69-D89 WeakPolarHBondContact ND1-CB 3.46Å; H69-D89 IonicContact ND1-OD2 2.91Å; H69-D89 PolarHBondContact ND1-OD2 3.39Å; D71-D89 HydrophobicContact CB-CB 4.18Å; D72-D89 CarbonylContact O-C 3.49Å; D72-D89 WeakPolarHBondContact O-CA 3.43Å; D72-D89 WeakPolarHBondContact O-CB 3.49Å; D89-N91 PolarHBondContact O-N 3.2Å; D89-N91 WeakPolarHBondContact OD1-CA 3.49Å; D89-N91 PolarHBondContact OD1-N 3.27Å; D89-G92 PolarHBondContact O-N 3.28Å; D89-G92 PolarHBondContact OD1-N 2.9Å; D89-G92 VanDerWaalsContact OD1-N 3.09Å; D89-L93 PolarHBondContact N-O 3.42Å; D89-L93 WeakPolarHBondContact OD1-CB 3.31Å; D89-L93 PolarHBondContact OD1-N 3.19Å; D89-L93 VanDerWaalsContact OD2-CB 3.31Å; D89-L93 WeakPolarHBondContact OD2-CB 3.43Å
90Q92.6Very high93.4Very high77 Ų7741 Ų4136%0.3619%0.185SC..THydrogen-bonded Turntrans-60.3-24179.672.5-170-9.500114.1D71 D72 Q74 G92 S116D71-Q90 HydrophobicContact CB-CG 3.75Å; D71-Q90 PolarHBondContact OD1-NE2 3.35Å; D72-Q90 PolarHBondContact O-N 3.45Å; Q74-Q90 HydrophobicContact CG-CB 4.26Å; Q90-G92 VanDerWaalsContact C-N 3.32Å; Q90-S116 VanDerWaalsContact O-CB 3.26Å; Q90-S116 WeakPolarHBondContact O-CB 3.47Å
91N91.9Very high93.4Very high88 Ų8848 Ų4847%0.47122%0.216SC..THydrogen-bonded Turntrans-88.3-4.2179.5-72.5-26.7000112.4D71 D89D71-N91 PolarHBondContact OD1-ND2 3.41Å; D71-N91 PolarHBondContact OD2-ND2 2.7Å; D89-N91 PolarHBondContact O-N 3.2Å; D89-N91 WeakPolarHBondContact OD1-CA 3.49Å; D89-N91 PolarHBondContact OD1-N 3.27Å
92G92Very high93.3Very high1 Ų145.3 Ų45.31%0.0122%0.217CC..  trans85.616.1176.700000114.2D89 Q90D89-G92 PolarHBondContact O-N 3.28Å; D89-G92 PolarHBondContact OD1-N 2.9Å; D89-G92 VanDerWaalsContact OD1-N 3.09Å; Q90-G92 VanDerWaalsContact C-N 3.32Å
93L95.7Very high93.3Very high28 Ų2841.9 Ų41.915%0.14721%0.207CC..EExtended strand (participates in β ladder)trans-70.8129.6165.8177.167.5000108.1H69 S88 D89 I95 I109 N111H69-L93 PolarHBondContact CE1-O 3.18Å; S88-L93 CarbonylContact C-O 3.55Å; S88-L93 WeakPolarHBondContact CA-O 3.4Å; S88-L93 WeakPolarHBondContact CB-O 3.2Å; D89-L93 PolarHBondContact N-O 3.42Å; D89-L93 WeakPolarHBondContact OD1-CB 3.31Å; D89-L93 PolarHBondContact OD1-N 3.19Å; D89-L93 VanDerWaalsContact OD2-CB 3.31Å; D89-L93 WeakPolarHBondContact OD2-CB 3.43Å; L93-I95 HydrophobicContact CD2-CD1 4.18Å; L93-I95 HydrophobicContact CD2-CG1 4.43Å; L93-I95 HydrophobicContact CG-CD1 4.5Å; L93-I95 HydrophobicContact CG-CG1 4.2Å; L93-I109 HydrophobicContact CD1-CG2 3.44Å; L93-I109 VanDerWaalsContact CD1-CG2 3.44Å; L93-N111 HydrophobicContact CD1-CB 3.79Å
94I95.9Very high93.4Very high7 Ų735.7 Ų35.74%0.03618%0.184CC..EExtended strand (participates in β ladder)trans-115.3131.4176.8-57.1169.5000107.8T86 S87 I109 N110 V117 M120 I131T86-I94 HydrophobicContact CG2-CG2 3.54Å; S87-I94 CarbonylContact O-C 3.58Å; S87-I94 VanDerWaalsContact O-CA 3.27Å; S87-I94 WeakPolarHBondContact O-CA 3.5Å; I94-I109 WeakPolarHBondContact O-CA 3.37Å; I94-N110 HydrophobicContact CB-CB 4.38Å; I94-N110 PolarHBondContact N-O 3.23Å; I94-N110 PolarHBondContact O-N 3.17Å; I94-V117 HydrophobicContact CD1-CG2 3.82Å; I94-V117 HydrophobicContact CG1-CG2 3.92Å; I94-M120 HydrophobicContact CD1-SD 4Å; I94-M120 HydrophobicContact CG1-SD 4.21Å; I94-M120 HydrophobicContact CG2-SD 4.1Å; I94-I131 HydrophobicContact CD1-CD1 3.94Å; I94-I131 HydrophobicContact CD1-CG1 4.5Å; I94-I131 HydrophobicContact CD1-CG2 3.83Å
95I96.3Very high93.4Very high1 Ų140.4 Ų40.41%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-123.7130.3175-53.3178.6000108.9T86 S87 L93 W97 E106 M108 I109T86-I95 WeakPolarHBondContact CA-O 3.41Å; S87-I95 PolarHBondContact N-O 2.8Å; S87-I95 PolarHBondContact O-N 3.01Å; L93-I95 HydrophobicContact CD2-CD1 4.18Å; L93-I95 HydrophobicContact CD2-CG1 4.43Å; L93-I95 HydrophobicContact CG-CD1 4.5Å; L93-I95 HydrophobicContact CG-CG1 4.2Å; I95-W97 HydrophobicContact CB-CZ2 3.95Å; I95-W97 HydrophobicContact CD1-CH2 4.39Å; I95-W97 HydrophobicContact CD1-CZ2 3.9Å; I95-W97 HydrophobicContact CG2-CD2 3.93Å; I95-W97 VanDerWaalsContact CG2-CE2 3.43Å; I95-W97 HydrophobicContact CG2-CE3 4.46Å; I95-W97 HydrophobicContact CG2-CG 4.43Å; I95-W97 HydrophobicContact CG2-CH2 4.09Å; I95-W97 HydrophobicContact CG2-CZ2 3.53Å; I95-E106 HydrophobicContact CG2-CB 4.3Å; I95-E106 HydrophobicContact CG2-CG 4Å; I95-M108 WeakPolarHBondContact CA-O 3.44Å; I95-I109 HydrophobicContact CG1-CG1 4.38Å; I95-I109 HydrophobicContact CG2-CG1 4.39Å
96V96Very high93.3Very high20 Ų2044.6 Ų44.612%0.12122%0.222CC..EExtended strand (participates in β ladder)trans-100.1127.3170.3-176.20000108.1K84 I85 T86 E107 M108K84-V96 HydrophobicContact CB-CG1 4.13Å; K84-V96 HydrophobicContact CD-CG1 3.94Å; I85-V96 CarbonylContact O-C 3.52Å; I85-V96 WeakPolarHBondContact O-CA 3.24Å; T86-V96 HydrophobicContact CG2-CG2 4.11Å; V96-E107 PolarHBondContact O-N 2.68Å; V96-M108 HydrophobicContact CB-CB 4.01Å; V96-M108 HydrophobicContact CG2-CB 4.12Å; V96-M108 PolarHBondContact N-O 3.26Å; V96-M108 PolarHBondContact O-N 3.14Å
97W95.7Very high93.2Very high5 Ų548.2 Ų48.22%0.01924%0.238CC..EExtended strand (participates in β ladder)trans-110.1138.6-177.5-50.284.8000110.7L38 L66 E67 K84 I85 S87 I95 W104 Y105 E106L38-W97 HydrophobicContact CD2-CZ2 3.67Å; L66-W97 HydrophobicContact CB-CD2 4.46Å; L66-W97 HydrophobicContact CB-CE3 4.17Å; L66-W97 HydrophobicContact CB-CH2 3.74Å; L66-W97 HydrophobicContact CB-CZ2 4.02Å; L66-W97 HydrophobicContact CB-CZ3 3.8Å; L66-W97 HydrophobicContact CD1-CD2 3.67Å; L66-W97 HydrophobicContact CD1-CE3 3.85Å; L66-W97 HydrophobicContact CD1-CG 3.97Å; L66-W97 HydrophobicContact CD1-CZ3 4.35Å; L66-W97 HydrophobicContact CD2-CE3 4.48Å; L66-W97 HydrophobicContact CG-CE3 4.39Å; L66-W97 HydrophobicContact CG-CZ3 4.46Å; E67-W97 WeakPolarHBondContact O-CH2 3.31Å; K84-W97 VanDerWaalsContact CA-O 3.29Å; K84-W97 WeakPolarHBondContact CA-O 2.95Å; I85-W97 HydrophobicContact CB-CB 4.21Å; I85-W97 PolarHBondContact N-O 3.26Å; I85-W97 PolarHBondContact O-N 2.82Å; S87-W97 PolarHBondContact OG-NE1 3.14Å; I95-W97 HydrophobicContact CB-CZ2 3.95Å; I95-W97 HydrophobicContact CD1-CH2 4.39Å; I95-W97 HydrophobicContact CD1-CZ2 3.9Å; I95-W97 HydrophobicContact CG2-CD2 3.93Å; I95-W97 VanDerWaalsContact CG2-CE2 3.43Å; I95-W97 HydrophobicContact CG2-CE3 4.46Å; I95-W97 HydrophobicContact CG2-CG 4.43Å; I95-W97 HydrophobicContact CG2-CH2 4.09Å; I95-W97 HydrophobicContact CG2-CZ2 3.53Å; W97-W104 HydrophobicContact CB-CE3 4.02Å; W97-Y105 CarbonylContact C-O 3.56Å; W97-Y105 WeakPolarHBondContact CA-O 3.03Å; W97-E106 HydrophobicContact CE3-CG 3.9Å; W97-E106 HydrophobicContact CH2-CG 3.68Å; W97-E106 HydrophobicContact CZ3-CB 4.42Å; W97-E106 HydrophobicContact CZ3-CG 3.32Å
98M93.7Very high93Very high67 Ų6751.4 Ų51.433%0.3325%0.254SS..EExtended strand (participates in β ladder)trans-120.8146.6175.768.3176.7-65.400111.4W104 Y105 E107M98-W104 CarbonylContact O-C 3.59Å; M98-W104 WeakPolarHBondContact O-CA 3.49Å; M98-Y105 PolarHBondContact N-O 2.94Å; M98-Y105 PolarHBondContact O-N 3.15Å; M98-E107 HydrophobicContact CB-CB 4.2Å; M98-E107 HydrophobicContact CG-CB 3.97Å; M98-E107 HydrophobicContact CG-CG 4.39Å; M98-E107 HydrophobicContact SD-CB 4.02Å; M98-E107 HydrophobicContact SD-CG 3.84Å
99L91.5Very high92.9Very high52 Ų5256.2 Ų56.227%0.27228%0.279SS..EExtended strand (participates in β ladder)trans-86.7115.9174.3-175.768.6000110.2W104L99-W104 HydrophobicContact CB-CD2 4.25Å; L99-W104 HydrophobicContact CB-CE3 4.2Å; L99-W104 HydrophobicContact CB-CH2 4.19Å; L99-W104 HydrophobicContact CB-CZ2 4.24Å; L99-W104 HydrophobicContact CB-CZ3 4.17Å; L99-W104 HydrophobicContact CD1-CD2 4.19Å; L99-W104 HydrophobicContact CD1-CG 4.22Å; L99-W104 HydrophobicContact CD1-CZ2 4.49Å
100Y89.1Confident92.7Very high122 Ų12259.9 Ų59.948%0.47830%0.298SS..EExtended strand (participates in β ladder)trans-129127.1176.8-175.2-104.5000110.3G102 A103 Y105Y100-G102 PolarHBondContact O-N 3.09Å; Y100-A103 PolarHBondContact N-O 3.08Å; Y100-A103 PolarHBondContact O-N 3.17Å; Y100-A103 VanDerWaalsContact O-N 3.08Å; Y100-Y105 HydrophobicContact CD1-CE2 4.35Å; Y100-Y105 WeakPolarHBondContact O-CE2 3.3Å
101K89.4Confident92.6Very high178 Ų17859.1 Ų59.177%0.77430%0.297SS*.THydrogen-bonded Turntrans49.335180-65.1-179176.81710114.7
102G86.1Confident92.4Very high49 Ų4957.2 Ų57.251%0.50528%0.283SS..THydrogen-bonded Turntrans86.22.4176.200000115.7M62 Y100M62-G102 VanDerWaalsContact CE-O 3.26Å; M62-G102 WeakPolarHBondContact CE-O 3.17Å; Y100-G102 PolarHBondContact O-N 3.09Å
103A90.3Very high92.2Very high25 Ų2563.4 Ų63.421%0.20732%0.316CS..EExtended strand (participates in β ladder)trans-125.4149.7173.200000111Y100 Y105Y100-A103 PolarHBondContact N-O 3.08Å; Y100-A103 PolarHBondContact O-N 3.17Å; Y100-A103 VanDerWaalsContact O-N 3.08Å; A103-Y105 HydrophobicContact CB-CE2 3.77Å; A103-Y105 VanDerWaalsContact O-CD2 3.26Å; A103-Y105 WeakPolarHBondContact O-CD2 3.27Å; A103-Y105 WeakPolarHBondContact O-CE2 3.38Å
104W93.3Very high91.8Very high7 Ų769.6 Ų69.63%0.02734%0.341CS..EExtended strand (participates in β ladder)trans-84.4135.8176.4-68.691.5000111.1Y28 Q64 L66 W78 R83 I85 W97 M98 L99Y28-W104 HydrophobicContact CD2-CZ2 4.43Å; Y28-W104 HydrophobicContact CG-CZ2 4.4Å; Q64-W104 PolarHBondContact NE2-O 3.07Å; L66-W104 HydrophobicContact CD1-CB 4.28Å; L66-W104 HydrophobicContact CD2-CB 3.57Å; L66-W104 HydrophobicContact CD2-CG 4.44Å; W78-W104 HydrophobicContact CH2-CH2 4.28Å; W78-W104 HydrophobicContact CH2-CZ2 4.3Å; W78-W104 AromaticContact CZ3-CH2 3.91Å; W78-W104 HydrophobicContact CZ3-CH2 3.91Å; W78-W104 HydrophobicContact CZ3-CZ2 4.34Å; R83-W104 WeakPolarHBondContact O-CH2 3.28Å; R83-W104 WeakPolarHBondContact O-CZ3 3.34Å; I85-W104 HydrophobicContact CB-CZ3 4.42Å; I85-W104 HydrophobicContact CD1-CD2 4.01Å; I85-W104 HydrophobicContact CD1-CE3 3.85Å; I85-W104 HydrophobicContact CD1-CH2 3.69Å; I85-W104 HydrophobicContact CD1-CZ2 3.84Å; I85-W104 HydrophobicContact CD1-CZ3 3.69Å; I85-W104 HydrophobicContact CG1-CE3 4.3Å; I85-W104 HydrophobicContact CG1-CH2 3.82Å; I85-W104 HydrophobicContact CG1-CZ2 4.44Å; I85-W104 HydrophobicContact CG1-CZ3 3.74Å; W97-W104 HydrophobicContact CB-CE3 4.02Å; M98-W104 CarbonylContact O-C 3.59Å; M98-W104 WeakPolarHBondContact O-CA 3.49Å; L99-W104 HydrophobicContact CB-CD2 4.25Å; L99-W104 HydrophobicContact CB-CE3 4.2Å; L99-W104 HydrophobicContact CB-CH2 4.19Å; L99-W104 HydrophobicContact CB-CZ2 4.24Å; L99-W104 HydrophobicContact CB-CZ3 4.17Å; L99-W104 HydrophobicContact CD1-CD2 4.19Å; L99-W104 HydrophobicContact CD1-CG 4.22Å; L99-W104 HydrophobicContact CD1-CZ2 4.49Å
105Y92Very high91.7Very high120 Ų12070 Ų7047%0.47135%0.345SS..EExtended strand (participates in β ladder)trans-133.4154.7-178.9-65.9-86.1000111.6W97 M98 Y100 A103 E107W97-Y105 CarbonylContact C-O 3.56Å; W97-Y105 WeakPolarHBondContact CA-O 3.03Å; M98-Y105 PolarHBondContact N-O 2.94Å; M98-Y105 PolarHBondContact O-N 3.15Å; Y100-Y105 HydrophobicContact CD1-CE2 4.35Å; Y100-Y105 WeakPolarHBondContact O-CE2 3.3Å; A103-Y105 HydrophobicContact CB-CE2 3.77Å; A103-Y105 VanDerWaalsContact O-CD2 3.26Å; A103-Y105 WeakPolarHBondContact O-CD2 3.27Å; A103-Y105 WeakPolarHBondContact O-CE2 3.38Å; Y105-E107 PolarHBondContact O-N 3.4Å
106E94.5Very high91.5Very high89 Ų8971 Ų7142%0.41635%0.352SS..EExtended strand (participates in β ladder)trans-66.8124.3171.4-57.5179.4161.200110.3G68 I95 W97G68-E106 WeakPolarHBondContact CA-OE1 3.23Å; I95-E106 HydrophobicContact CG2-CB 4.3Å; I95-E106 HydrophobicContact CG2-CG 4Å; W97-E106 HydrophobicContact CE3-CG 3.9Å; W97-E106 HydrophobicContact CH2-CG 3.68Å; W97-E106 HydrophobicContact CZ3-CB 4.42Å; W97-E106 HydrophobicContact CZ3-CG 3.32Å
107E93Very high91.4Very high76 Ų7670.2 Ų70.236%0.35535%0.347SS..EExtended strand (participates in β ladder)trans-103.6-47.5175.1-171.7-171.6178.900111.1K84 V96 M98 Y105K84-E107 VanDerWaalsContact CD-OE2 3.24Å; K84-E107 WeakPolarHBondContact CD-OE2 3.45Å; K84-E107 WeakPolarHBondContact CE-OE2 3.23Å; K84-E107 IonicContact NZ-OE1 2.81Å; K84-E107 PolarHBondContact NZ-OE1 2.96Å; K84-E107 IonicContact NZ-OE2 2.97Å; K84-E107 PolarHBondContact NZ-OE2 3.32Å; V96-E107 PolarHBondContact O-N 2.68Å; M98-E107 HydrophobicContact CB-CB 4.2Å; M98-E107 HydrophobicContact CG-CB 3.97Å; M98-E107 HydrophobicContact CG-CG 4.39Å; M98-E107 HydrophobicContact SD-CB 4.02Å; M98-E107 HydrophobicContact SD-CG 3.84Å; Y105-E107 PolarHBondContact O-N 3.4Å
108M93Very high91.3Very high67 Ų6773.9 Ų73.933%0.3336%0.363SS..EExtended strand (participates in β ladder)trans-139.6145.2-176.6-56.1-176.870.900110.8I95 V96I95-M108 WeakPolarHBondContact CA-O 3.44Å; V96-M108 HydrophobicContact CB-CB 4.01Å; V96-M108 HydrophobicContact CG2-CB 4.12Å; V96-M108 PolarHBondContact N-O 3.26Å; V96-M108 PolarHBondContact O-N 3.14Å
109I93.2Very high91.4Very high101 Ų10171.9 Ų71.952%0.51835%0.354SS..EExtended strand (participates in β ladder)trans-129.8133.5177-58.2177.2000108.4L93 I94 I95L93-I109 HydrophobicContact CD1-CG2 3.44Å; L93-I109 VanDerWaalsContact CD1-CG2 3.44Å; I94-I109 WeakPolarHBondContact O-CA 3.37Å; I95-I109 HydrophobicContact CG1-CG1 4.38Å; I95-I109 HydrophobicContact CG2-CG1 4.39Å
110N92.1Very high91.6Very high78 Ų7869.4 Ų69.442%0.41734%0.341SS..EExtended strand (participates in β ladder)trans-132.1127.1173.3-172.6-20.6000109.4I94I94-N110 HydrophobicContact CB-CB 4.38Å; I94-N110 PolarHBondContact N-O 3.23Å; I94-N110 PolarHBondContact O-N 3.17Å
111N90Very high91.8Very high60 Ų6066 Ų6632%0.32133%0.328SS..EExtended strand (participates in β ladder)trans-135.2116.5174.3-171.9-10.8000110L93 N113L93-N111 HydrophobicContact CD1-CB 3.79Å; N111-N113 VanDerWaalsContact CG-OD1 3.23Å; N111-N113 PolarHBondContact ND2-OD1 3.4Å; N111-N113 VanDerWaalsContact OD1-CG 3.31Å; N111-N113 PolarHBondContact OD1-N 2.95Å; N111-N113 PolarHBondContact OD1-OD1 3.21Å
112R88Confident92Very high49 Ų4958 Ų5819%0.18529%0.294CS..  trans-83-18.6179.8-166.4176.6162.7-129-8.7112.5K114 Y133 D135R112-K114 HydrophobicContact CG-CB 4.12Å; R112-K114 HydrophobicContact CG-CD 4.23Å; R112-K114 HydrophobicContact CG-CG 4.37Å; R112-K114 WeakPolarHBondContact O-CG 3.37Å; R112-K114 PolarHBondContact O-N 3.12Å; R112-K114 VanDerWaalsContact O-N 3.08Å; R112-Y133 HydrophobicContact CB-CE1 4.2Å; R112-D135 IonicContact CZ-OD1 3.26Å; R112-D135 IonicContact CZ-OD2 3.57Å; R112-D135 VanDerWaalsContact NH1-CG 3.27Å; R112-D135 IonicContact NH1-OD1 3.18Å; R112-D135 PolarHBondContact NH1-OD1 2.96Å; R112-D135 IonicContact NH1-OD2 2.89Å; R112-D135 PolarHBondContact NH1-OD2 3.46Å; R112-D135 IonicContact NH2-OD1 3.49Å; R112-D135 IonicContact NH2-OD2 3.97Å; R112-D135 PolarHBondContact NH2-OD2 3.14Å
113N86.7Confident92.2Very high131 Ų13155.9 Ų55.970%0.70127%0.271SS*.SBendtrans46.934.8-177.3-66.8-52.5000113.9N111N111-N113 VanDerWaalsContact CG-OD1 3.23Å; N111-N113 PolarHBondContact ND2-OD1 3.4Å; N111-N113 VanDerWaalsContact OD1-CG 3.31Å; N111-N113 PolarHBondContact OD1-N 2.95Å; N111-N113 PolarHBondContact OD1-OD1 3.21Å
114K89Confident92.1Very high157 Ų15755.4 Ų55.468%0.68327%0.266SS*.SBendtrans-131.6-38.3-175.8-76.5-177.7179.3-170.30114R112R112-K114 HydrophobicContact CG-CB 4.12Å; R112-K114 HydrophobicContact CG-CD 4.23Å; R112-K114 HydrophobicContact CG-CG 4.37Å; R112-K114 WeakPolarHBondContact O-CG 3.37Å; R112-K114 PolarHBondContact O-N 3.12Å; R112-K114 VanDerWaalsContact O-N 3.08Å
115S91.9Very high91.8Very high17 Ų1758.8 Ų58.812%0.11928%0.284CS..SBendtrans-154.8151.2-173.3178.40000109.7E134 D135S115-E134 PolarHBondContact OG-N 3.25Å; S115-D135 VanDerWaalsContact CB-CG 3.45Å; S115-D135 PolarHBondContact OG-N 3.46Å; S115-D135 VanDerWaalsContact OG-N 3.14Å
116S92.6Very high91.7Very high20 Ų2053.2 Ų53.214%0.1426%0.263CS..  trans-65.4145.6169.474.40000110.4Q90 K118 Y133 E134Q90-S116 VanDerWaalsContact O-CB 3.26Å; Q90-S116 WeakPolarHBondContact O-CB 3.47Å; S116-K118 WeakPolarHBondContact OG-CE 3.44Å; S116-Y133 WeakPolarHBondContact O-CA 3.48Å; S116-E134 PolarHBondContact O-N 3.44Å; S116-E134 VanDerWaalsContact O-N 3.1Å; S116-E134 PolarHBondContact OG-OE2 3.41Å
117V95Very high91.7Very high4 Ų454.4 Ų54.42%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-83.6125.4169.5176.80000107.3I94 M120 I131 Y133I94-V117 HydrophobicContact CD1-CG2 3.82Å; I94-V117 HydrophobicContact CG1-CG2 3.92Å; V117-M120 HydrophobicContact CG1-CE 4.23Å; V117-M120 HydrophobicContact CG1-CG 3.61Å; V117-M120 HydrophobicContact CG1-SD 3.95Å; V117-I131 HydrophobicContact CG1-CG2 4.04Å; V117-I131 HydrophobicContact CG2-CG2 4.27Å; V117-Y133 HydrophobicContact CG2-CD1 3.88Å; V117-Y133 HydrophobicContact CG2-CE1 3.48Å; V117-Y133 VanDerWaalsContact CG2-CE1 3.48Å
118K93.6Very high91.8Very high83 Ų8353.3 Ų53.336%0.36126%0.261SS..EExtended strand (participates in β ladder)trans-94.3-35.9-179-70.8-65-175.1-175.30113S116 V132 E134S116-K118 WeakPolarHBondContact OG-CE 3.44Å; K118-V132 PolarHBondContact N-O 3.39Å; K118-E134 HydrophobicContact CD-CB 4.41Å; K118-E134 VanDerWaalsContact CE-CG 3.4Å; K118-E134 WeakPolarHBondContact CE-OE1 3.49Å; K118-E134 VanDerWaalsContact CE-OE2 3.22Å; K118-E134 WeakPolarHBondContact CE-OE2 3.49Å; K118-E134 HydrophobicContact CG-CB 3.94Å; K118-E134 IonicContact NZ-OE1 2.74Å; K118-E134 PolarHBondContact NZ-OE1 3.02Å; K118-E134 IonicContact NZ-OE2 2.8Å; K118-E134 PolarHBondContact NZ-OE2 2.93Å
119D94.7Very high91.9Very high25 Ų2550.8 Ų50.813%0.13425%0.249CC..EExtended strand (participates in β ladder)trans-159.3159.4178.8-163.38.8000110.5V132 S160 V161D119-V132 HydrophobicContact CB-CG2 3.63Å; D119-V132 VanDerWaalsContact O-CG2 3.24Å; D119-V132 WeakPolarHBondContact O-CG2 3.32Å; D119-V132 PolarHBondContact O-N 3.05Å; D119-S160 WeakPolarHBondContact OD2-CA 3.49Å; D119-V161 HydrophobicContact CB-CG1 4.17Å; D119-V161 PolarHBondContact OD2-N 3.29Å
120M95.5Very high92.1Very high0 Ų046 Ų460%022%0.224CC..EExtended strand (participates in β ladder)trans-148.5145.9176.8-63-179.3-74.300109V75 I77 T86 S88 I94 V117 C130 I131V75-M120 HydrophobicContact CB-CE 3.86Å; V75-M120 HydrophobicContact CG1-CB 4.36Å; V75-M120 HydrophobicContact CG1-CE 3.7Å; I77-M120 HydrophobicContact CD1-CB 3.53Å; I77-M120 HydrophobicContact CG1-CB 4.42Å; I77-M120 VanDerWaalsContact CG2-O 3.22Å; I77-M120 WeakPolarHBondContact CG2-O 3.49Å; T86-M120 HydrophobicContact CG2-CE 4.23Å; T86-M120 HydrophobicContact CG2-SD 4.11Å; S88-M120 WeakPolarHBondContact OG-CE 3.47Å; I94-M120 HydrophobicContact CD1-SD 4Å; I94-M120 HydrophobicContact CG1-SD 4.21Å; I94-M120 HydrophobicContact CG2-SD 4.1Å; V117-M120 HydrophobicContact CG1-CE 4.23Å; V117-M120 HydrophobicContact CG1-CG 3.61Å; V117-M120 HydrophobicContact CG1-SD 3.95Å; M120-C130 CarbonylContact C-O 3.49Å; M120-C130 WeakPolarHBondContact CA-O 3.4Å; M120-I131 HydrophobicContact CG-CB 4.25Å; M120-I131 HydrophobicContact CG-CG1 4.07Å; M120-I131 HydrophobicContact CG-CG2 3.99Å; M120-I131 HydrophobicContact SD-CG1 4.2Å; M120-I131 HydrophobicContact SD-CG2 4.32Å
121K94.6Very high92.3Very high49 Ų4942.9 Ų42.921%0.21321%0.208CC..EExtended strand (participates in β ladder)trans-144.5148.9173.7-63.4-71.9176.1136.70112.4I129 C130 V161 E162 W163K121-I129 WeakPolarHBondContact O-CA 3.43Å; K121-C130 PolarHBondContact N-O 3.37Å; K121-C130 PolarHBondContact O-N 2.71Å; K121-V161 HydrophobicContact CB-CG1 4.37Å; K121-V161 HydrophobicContact CG-CG1 3.97Å; K121-V161 WeakPolarHBondContact CG-O 3.38Å; K121-E162 VanDerWaalsContact CE-OE2 3.31Å; K121-E162 WeakPolarHBondContact CE-OE2 3.21Å; K121-E162 IonicContact NZ-OE2 3.01Å; K121-E162 PolarHBondContact NZ-OE2 2.93Å; K121-W163 VanDerWaalsContact C-CD1 3.47Å; K121-W163 VanDerWaalsContact C-NE1 3.3Å; K121-W163 VanDerWaalsContact CB-CD1 3.47Å; K121-W163 PolarHBondContact O-NE1 3.38Å
122W92.1Very high92.5Very high12 Ų1240 Ų405%0.04519%0.193CC..EExtended strand (participates in β ladder)trans-94.8139.7170.1-72.297.9000111I77 N79 T86 G126 R128 I129 V143 W163 K213I77-W122 VanDerWaalsContact CD1-CD1 3.4Å; I77-W122 HydrophobicContact CD1-CG 4.36Å; N79-W122 HydrophobicContact CB-CD2 3.76Å; N79-W122 HydrophobicContact CB-CE3 4.22Å; N79-W122 HydrophobicContact CB-CG 4.11Å; N79-W122 HydrophobicContact CB-CH2 4.39Å; N79-W122 HydrophobicContact CB-CZ2 3.94Å; N79-W122 WeakPolarHBondContact ND2-CH2 3.37Å; N79-W122 WeakPolarHBondContact ND2-CZ3 3.35Å; T86-W122 PolarHBondContact OG1-NE1 3.21Å; W122-G126 WeakPolarHBondContact CZ3-O 3.48Å; W122-R128 WeakPolarHBondContact CA-O 3.47Å; W122-I129 HydrophobicContact CD2-CB 4.14Å; W122-I129 HydrophobicContact CD2-CG1 4.43Å; W122-I129 HydrophobicContact CE3-CB 3.99Å; W122-I129 HydrophobicContact CH2-CB 4.18Å; W122-I129 HydrophobicContact CH2-CG2 4.49Å; W122-I129 HydrophobicContact CZ2-CB 4.33Å; W122-I129 HydrophobicContact CZ2-CD1 4.06Å; W122-I129 HydrophobicContact CZ3-CB 4.01Å; W122-V143 HydrophobicContact CH2-CB 4.46Å; W122-V143 HydrophobicContact CH2-CG2 4.21Å; W122-V143 HydrophobicContact CZ3-CB 4.16Å; W122-V143 HydrophobicContact CZ3-CG2 4.21Å; W122-W163 VanDerWaalsContact C-NE1 3.3Å; W122-K213 PolarHBondContact O-NZ 2.73Å
123D91.7Very high92.8Very high4 Ų437.7 Ų37.72%0.02118%0.184CC..  trans-64.9165.5171.669.5-16.6000111D125 G126 Q127 R128 W163D123-D125 PolarHBondContact O-N 3.15Å; D123-G126 PolarHBondContact O-N 3.36Å; D123-G126 WeakPolarHBondContact OD1-CA 3.18Å; D123-G126 PolarHBondContact OD1-N 2.95Å; D123-Q127 PolarHBondContact OD1-N 3.36Å; D123-R128 HydrophobicContact CB-CB 4.48Å; D123-R128 PolarHBondContact N-O 2.92Å; D123-R128 PolarHBondContact OD1-N 2.92Å; D123-R128 IonicContact OD2-CZ 3.3Å; D123-R128 IonicContact OD2-NE 3.99Å; D123-R128 PolarHBondContact OD2-NE 3.36Å; D123-R128 IonicContact OD2-NH2 2.99Å; D123-R128 PolarHBondContact OD2-NH2 3Å; D123-W163 HydrophobicContact CB-CD2 3.5Å; D123-W163 HydrophobicContact CB-CE3 3.66Å; D123-W163 HydrophobicContact CB-CG 3.94Å; D123-W163 HydrophobicContact CB-CH2 4.26Å; D123-W163 HydrophobicContact CB-CZ2 4.12Å; D123-W163 HydrophobicContact CB-CZ3 4.04Å; D123-W163 VanDerWaalsContact N-NE1 3.19Å
124S86.8Confident93.1Very high14 Ų1435.3 Ų35.310%0.09817%0.169CC..THydrogen-bonded Turntrans-60.3-22.4177.343.80000112.4K81 P165 E215K81-S124 WeakPolarHBondContact CE-O 3.23Å; K81-S124 PolarHBondContact NZ-O 2.87Å; S124-P165 PolarHBondContact OG-O 2.85Å; S124-E215 VanDerWaalsContact CA-OE1 3.23Å; S124-E215 WeakPolarHBondContact CA-OE1 3.32Å; S124-E215 VanDerWaalsContact CB-OE1 3.31Å; S124-E215 WeakPolarHBondContact CB-OE1 3.43Å
125D87.3Confident93.3Very high78 Ų7831.4 Ų31.442%0.41716%0.155SC..THydrogen-bonded Turntrans-87.2-7.1174.4-72.1-32.8000115.9K81 D123 Q127K81-D125 WeakPolarHBondContact CD-O 3.24Å; K81-D125 VanDerWaalsContact NZ-CA 3.34Å; K81-D125 IonicContact NZ-OD1 2.7Å; K81-D125 PolarHBondContact NZ-OD1 3.5Å; D123-D125 PolarHBondContact O-N 3.15Å; D125-Q127 HydrophobicContact CB-CG 4.19Å; D125-Q127 PolarHBondContact O-N 3.04Å
126G91.3Very high93.3Very high3 Ų330.7 Ų30.73%0.03115%0.15CC..SBendtrans5913.3-177.100000113.3N79 F82 W122 D123N79-G126 PolarHBondContact ND2-O 3.23Å; F82-G126 WeakPolarHBondContact CD2-O 3.34Å; F82-G126 WeakPolarHBondContact CE2-O 3.44Å; W122-G126 WeakPolarHBondContact CZ3-O 3.48Å; D123-G126 PolarHBondContact O-N 3.36Å; D123-G126 WeakPolarHBondContact OD1-CA 3.18Å; D123-G126 PolarHBondContact OD1-N 2.95Å
127Q93.9Very high93.3Very high114 Ų11430 Ų3053%0.53315%0.146SC..SBendtrans-89.9-25.3-178.9-68.8-172.614.300111.5D123 D125 S142 V143D123-Q127 PolarHBondContact OD1-N 3.36Å; D125-Q127 HydrophobicContact CB-CG 4.19Å; D125-Q127 PolarHBondContact O-N 3.04Å; Q127-S142 CarbonylContact O-C 3.56Å; Q127-S142 VanDerWaalsContact O-CA 3.32Å; Q127-S142 WeakPolarHBondContact O-CA 3.42Å; Q127-V143 PolarHBondContact O-N 3.03Å
128R94.8Very high93.3Very high53 Ų5329.8 Ų29.820%0.214%0.144CC..EExtended strand (participates in β ladder)trans-127.8140.4-175-60174.5-69.3172.54110.5W122 D123 V140 G141 I148 W163 G167W122-R128 WeakPolarHBondContact CA-O 3.47Å; D123-R128 HydrophobicContact CB-CB 4.48Å; D123-R128 PolarHBondContact N-O 2.92Å; D123-R128 PolarHBondContact OD1-N 2.92Å; D123-R128 IonicContact OD2-CZ 3.3Å; D123-R128 IonicContact OD2-NE 3.99Å; D123-R128 PolarHBondContact OD2-NE 3.36Å; D123-R128 IonicContact OD2-NH2 2.99Å; D123-R128 PolarHBondContact OD2-NH2 3Å; R128-V140 HydrophobicContact CB-CG1 4.39Å; R128-G141 VanDerWaalsContact CA-O 3.3Å; R128-G141 WeakPolarHBondContact CA-O 3.48Å; R128-I148 HydrophobicContact CG-CD1 3.7Å; R128-W163 HydrophobicContact CB-CH2 3.68Å; R128-W163 HydrophobicContact CB-CZ2 3.69Å; R128-G167 PolarHBondContact NH1-O 3.41Å; R128-G167 PolarHBondContact NH2-O 2.84Å
129I95.6Very high93.4Very high14 Ų1427 Ų277%0.07213%0.133CC..EExtended strand (participates in β ladder)trans-118.4135.6171.9-173.4174.5000108.6I77 T86 K121 W122 I131 V140 G141I77-I129 HydrophobicContact CD1-CD1 3.85Å; I77-I129 HydrophobicContact CD1-CG1 4.25Å; T86-I129 HydrophobicContact CG2-CD1 4.05Å; K121-I129 WeakPolarHBondContact O-CA 3.43Å; W122-I129 HydrophobicContact CD2-CB 4.14Å; W122-I129 HydrophobicContact CD2-CG1 4.43Å; W122-I129 HydrophobicContact CE3-CB 3.99Å; W122-I129 HydrophobicContact CH2-CB 4.18Å; W122-I129 HydrophobicContact CH2-CG2 4.49Å; W122-I129 HydrophobicContact CZ2-CB 4.33Å; W122-I129 HydrophobicContact CZ2-CD1 4.06Å; W122-I129 HydrophobicContact CZ3-CB 4.01Å; I129-I131 HydrophobicContact CD1-CG1 4.26Å; I129-I131 HydrophobicContact CG1-CG1 4.2Å; I129-V140 CarbonylContact O-C 3.48Å; I129-V140 VanDerWaalsContact O-CA 3.24Å; I129-V140 WeakPolarHBondContact O-CA 3.42Å; I129-G141 PolarHBondContact N-O 2.94Å; I129-G141 PolarHBondContact O-N 3.11Å
130C96.5Very high93.5Very high0 Ų025.8 Ų25.80%013%0.127CC..EExtended strand (participates in β ladder)trans-106.1133168.2-170.10000109M120 K121 I139 V140 V161 W163 L170M120-C130 CarbonylContact C-O 3.49Å; M120-C130 WeakPolarHBondContact CA-O 3.4Å; K121-C130 PolarHBondContact N-O 3.37Å; K121-C130 PolarHBondContact O-N 2.71Å; C130-I139 CarbonylContact C-O 3.51Å; C130-I139 WeakPolarHBondContact CA-O 3.33Å; C130-V140 HydrophobicContact CB-CG2 3.92Å; C130-V161 HydrophobicContact CB-CG2 4.15Å; C130-W163 HydrophobicContact CB-CZ2 4.02Å; C130-L170 HydrophobicContact CB-CD2 4.05Å
131I95.8Very high93.4Very high13 Ų1326.2 Ų26.27%0.06713%0.131CC..EExtended strand (participates in β ladder)trans-123.3125.8-177.5-56.3164.7000107.6I94 V117 M120 I129 Y133 A138 I139I94-I131 HydrophobicContact CD1-CD1 3.94Å; I94-I131 HydrophobicContact CD1-CG1 4.5Å; I94-I131 HydrophobicContact CD1-CG2 3.83Å; V117-I131 HydrophobicContact CG1-CG2 4.04Å; V117-I131 HydrophobicContact CG2-CG2 4.27Å; M120-I131 HydrophobicContact CG-CB 4.25Å; M120-I131 HydrophobicContact CG-CG1 4.07Å; M120-I131 HydrophobicContact CG-CG2 3.99Å; M120-I131 HydrophobicContact SD-CG1 4.2Å; M120-I131 HydrophobicContact SD-CG2 4.32Å; I129-I131 HydrophobicContact CD1-CG1 4.26Å; I129-I131 HydrophobicContact CG1-CG1 4.2Å; I131-Y133 HydrophobicContact CB-CE2 4.37Å; I131-Y133 HydrophobicContact CG2-CD2 4.3Å; I131-Y133 HydrophobicContact CG2-CE1 4.47Å; I131-Y133 HydrophobicContact CG2-CE2 3.6Å; I131-A138 CarbonylContact O-C 3.53Å; I131-A138 WeakPolarHBondContact O-CA 3.35Å; I131-I139 PolarHBondContact N-O 2.99Å; I131-I139 PolarHBondContact O-N 3.29Å
132V95.3Very high93.4Very high0 Ų025 Ų250%013%0.129CC..EExtended strand (participates in β ladder)trans-116.2135.2178-64.90000112.1K118 D119 A138 L158 V161 F172K118-V132 PolarHBondContact N-O 3.39Å; D119-V132 HydrophobicContact CB-CG2 3.63Å; D119-V132 VanDerWaalsContact O-CG2 3.24Å; D119-V132 WeakPolarHBondContact O-CG2 3.32Å; D119-V132 PolarHBondContact O-N 3.05Å; V132-A138 HydrophobicContact CG1-CB 4.21Å; V132-L158 HydrophobicContact CB-CB 4.15Å; V132-L158 HydrophobicContact CB-CD1 3.9Å; V132-L158 HydrophobicContact CG1-CD1 3.9Å; V132-V161 HydrophobicContact CG1-CB 3.82Å; V132-V161 HydrophobicContact CG1-CG1 4.15Å; V132-V161 HydrophobicContact CG1-CG2 4.26Å; V132-V161 HydrophobicContact CG2-CB 4.14Å; V132-V161 HydrophobicContact CG2-CG1 4Å; V132-F172 HydrophobicContact CG1-CD1 3.61Å; V132-F172 HydrophobicContact CG1-CE1 3.44Å; V132-F172 VanDerWaalsContact CG1-CE1 3.44Å
133Y95Very high93.5Very high1 Ų125 Ų250%0.00413%0.13CC..EExtended strand (participates in β ladder)trans-110.8148.9-178.3-63.2-91.4000110.7R112 S116 V117 I131 D135 G136 A137 I139R112-Y133 HydrophobicContact CB-CE1 4.2Å; S116-Y133 WeakPolarHBondContact O-CA 3.48Å; V117-Y133 HydrophobicContact CG2-CD1 3.88Å; V117-Y133 HydrophobicContact CG2-CE1 3.48Å; V117-Y133 VanDerWaalsContact CG2-CE1 3.48Å; I131-Y133 HydrophobicContact CB-CE2 4.37Å; I131-Y133 HydrophobicContact CG2-CD2 4.3Å; I131-Y133 HydrophobicContact CG2-CE1 4.47Å; I131-Y133 HydrophobicContact CG2-CE2 3.6Å; Y133-D135 WeakPolarHBondContact CB-OD1 3.41Å; Y133-D135 PolarHBondContact O-N 3.25Å; Y133-G136 PolarHBondContact O-N 2.97Å; Y133-G136 VanDerWaalsContact O-N 3.11Å; Y133-A137 HydrophobicContact CD2-CB 3.98Å; Y133-A137 WeakPolarHBondContact CD2-O 3.42Å; Y133-A137 HydrophobicContact CG-CB 4.41Å; Y133-A137 PolarHBondContact N-O 3.44Å; Y133-I139 HydrophobicContact CE2-CD1 3.73Å; Y133-I139 HydrophobicContact CE2-CG1 4.01Å
134E92.9Very high93.4Very high81 Ų8130.8 Ų30.838%0.37916%0.161SC..THydrogen-bonded Turntrans-57.4-31.6178.3-170.7163.1-146.700114S115 S116 K118 G136 S157S115-E134 PolarHBondContact OG-N 3.25Å; S116-E134 PolarHBondContact O-N 3.44Å; S116-E134 VanDerWaalsContact O-N 3.1Å; S116-E134 PolarHBondContact OG-OE2 3.41Å; K118-E134 HydrophobicContact CD-CB 4.41Å; K118-E134 VanDerWaalsContact CE-CG 3.4Å; K118-E134 WeakPolarHBondContact CE-OE1 3.49Å; K118-E134 VanDerWaalsContact CE-OE2 3.22Å; K118-E134 WeakPolarHBondContact CE-OE2 3.49Å; K118-E134 HydrophobicContact CG-CB 3.94Å; K118-E134 IonicContact NZ-OE1 2.74Å; K118-E134 PolarHBondContact NZ-OE1 3.02Å; K118-E134 IonicContact NZ-OE2 2.8Å; K118-E134 PolarHBondContact NZ-OE2 2.93Å; E134-G136 PolarHBondContact O-N 2.6Å; E134-S157 VanDerWaalsContact O-CA 3.23Å; E134-S157 WeakPolarHBondContact O-CA 3.38Å; E134-S157 WeakPolarHBondContact O-CB 3.37Å; E134-S157 PolarHBondContact O-OG 3.47Å
135D92.1Very high93.6Very high74 Ų7432.1 Ų32.140%0.39618%0.177SC..THydrogen-bonded Turntrans-74.52.8179.570.8-14.3000114.5R112 S115 Y133 A137R112-D135 IonicContact CZ-OD1 3.26Å; R112-D135 IonicContact CZ-OD2 3.57Å; R112-D135 VanDerWaalsContact NH1-CG 3.27Å; R112-D135 IonicContact NH1-OD1 3.18Å; R112-D135 PolarHBondContact NH1-OD1 2.96Å; R112-D135 IonicContact NH1-OD2 2.89Å; R112-D135 PolarHBondContact NH1-OD2 3.46Å; R112-D135 IonicContact NH2-OD1 3.49Å; R112-D135 IonicContact NH2-OD2 3.97Å; R112-D135 PolarHBondContact NH2-OD2 3.14Å; S115-D135 VanDerWaalsContact CB-CG 3.45Å; S115-D135 PolarHBondContact OG-N 3.46Å; S115-D135 VanDerWaalsContact OG-N 3.14Å; Y133-D135 WeakPolarHBondContact CB-OD1 3.41Å; Y133-D135 PolarHBondContact O-N 3.25Å; D135-A137 WeakPolarHBondContact OD1-CB 3Å; D135-A137 PolarHBondContact OD1-N 3.29Å
136G91.9Very high93.9Very high2 Ų233.7 Ų33.72%0.02119%0.185CC..SBendtrans96.9-4.7179.400000114.1Y133 E134 L153Y133-G136 PolarHBondContact O-N 2.97Å; Y133-G136 VanDerWaalsContact O-N 3.11Å; E134-G136 PolarHBondContact O-N 2.6Å; G136-L153 WeakPolarHBondContact O-CB 3.49Å; G136-L153 PolarHBondContact O-N 2.94Å
137A93.8Very high94Very high5 Ų541.3 Ų41.34%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-76.9135.1178.200000111.6Y133 D135 K151 E152Y133-A137 HydrophobicContact CD2-CB 3.98Å; Y133-A137 WeakPolarHBondContact CD2-O 3.42Å; Y133-A137 HydrophobicContact CG-CB 4.41Å; Y133-A137 PolarHBondContact N-O 3.44Å; D135-A137 WeakPolarHBondContact OD1-CB 3Å; D135-A137 PolarHBondContact OD1-N 3.29Å; A137-K151 WeakPolarHBondContact CA-O 3.29Å; A137-E152 HydrophobicContact CB-CG 4.43Å
138A95Very high94Very high0 Ų040.1 Ų40.10%021%0.21CC..EExtended strand (participates in β ladder)trans-121.1131.616800000109.1I131 V132 W149 G150 K151 L153 L158 F172I131-A138 CarbonylContact O-C 3.53Å; I131-A138 WeakPolarHBondContact O-CA 3.35Å; V132-A138 HydrophobicContact CG1-CB 4.21Å; A138-W149 HydrophobicContact CB-CH2 4.25Å; A138-W149 HydrophobicContact CB-CZ3 4.03Å; A138-W149 WeakPolarHBondContact O-CZ3 3.49Å; A138-G150 CarbonylContact O-C 3.53Å; A138-G150 WeakPolarHBondContact O-CA 3.36Å; A138-K151 PolarHBondContact N-O 2.92Å; A138-K151 PolarHBondContact O-N 3.13Å; A138-L153 HydrophobicContact CB-CD1 4.19Å; A138-L153 HydrophobicContact CB-CG 4.45Å; A138-L158 HydrophobicContact CB-CD1 4.13Å; A138-F172 HydrophobicContact CB-CE1 3.84Å; A138-F172 HydrophobicContact CB-CZ 3.98Å
139I95.1Very high94Very high24 Ų2438.9 Ų38.912%0.12321%0.205CC..EExtended strand (participates in β ladder)trans-125.7129.3179.6-58.5-178000108.6C130 I131 Y133 R147C130-I139 CarbonylContact C-O 3.51Å; C130-I139 WeakPolarHBondContact CA-O 3.33Å; I131-I139 PolarHBondContact N-O 2.99Å; I131-I139 PolarHBondContact O-N 3.29Å; Y133-I139 HydrophobicContact CE2-CD1 3.73Å; Y133-I139 HydrophobicContact CE2-CG1 4.01Å; I139-R147 HydrophobicContact CG2-CG 4.05Å
140V96.1Very high93.9Very high1 Ų139.3 Ų39.31%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-107.4125.5168.6175.40000109.2R128 I129 C130 I148 W149 W163 L170R128-V140 HydrophobicContact CB-CG1 4.39Å; I129-V140 CarbonylContact O-C 3.48Å; I129-V140 VanDerWaalsContact O-CA 3.24Å; I129-V140 WeakPolarHBondContact O-CA 3.42Å; C130-V140 HydrophobicContact CB-CG2 3.92Å; V140-I148 HydrophobicContact CG1-CB 4.2Å; V140-I148 HydrophobicContact CG1-CD1 4.1Å; V140-I148 WeakPolarHBondContact O-CB 3.44Å; V140-I148 PolarHBondContact O-N 3.46Å; V140-W149 HydrophobicContact CB-CD2 4.05Å; V140-W149 HydrophobicContact CB-CG 4.33Å; V140-W149 HydrophobicContact CB-CZ2 4.02Å; V140-W149 HydrophobicContact CG2-CD2 4.09Å; V140-W149 HydrophobicContact CG2-CH2 3.73Å; V140-W149 HydrophobicContact CG2-CZ2 3.17Å; V140-W149 HydrophobicContact CG2-CZ3 4.39Å; V140-W149 PolarHBondContact N-O 2.67Å; V140-W149 PolarHBondContact O-N 3.05Å; V140-W163 HydrophobicContact CG1-CH2 4.27Å; V140-W163 HydrophobicContact CG1-CZ2 4.44Å; V140-L170 HydrophobicContact CG2-CD1 4.14Å
141G94.6Very high93.7Very high9 Ų943 Ų439%0.09323%0.229CC..EExtended strand (participates in β ladder)trans-119.6160.1178.700000112.3R128 I129 N146R128-G141 VanDerWaalsContact CA-O 3.3Å; R128-G141 WeakPolarHBondContact CA-O 3.48Å; I129-G141 PolarHBondContact N-O 2.94Å; I129-G141 PolarHBondContact O-N 3.11Å; G141-N146 CarbonylContact C-O 3.59Å; G141-N146 VanDerWaalsContact CA-O 3.24Å; G141-N146 WeakPolarHBondContact CA-O 3.43Å
142S94.8Very high93.5Very high22 Ų2249.4 Ų49.415%0.15426%0.259CS..EExtended strand (participates in β ladder)trans-86.6161.417076.10000111.3Q127 D144 G145 N146Q127-S142 CarbonylContact O-C 3.56Å; Q127-S142 VanDerWaalsContact O-CA 3.32Å; Q127-S142 WeakPolarHBondContact O-CA 3.42Å; S142-D144 PolarHBondContact O-N 3.47Å; S142-G145 PolarHBondContact O-N 3.39Å; S142-N146 PolarHBondContact N-O 3.15Å; S142-N146 WeakPolarHBondContact OG-CB 3.47Å; S142-N146 PolarHBondContact OG-N 3.31Å; S142-N146 VanDerWaalsContact OG-N 3.1Å
143V92.9Very high93Very high14 Ų1450.2 Ų50.29%0.08526%0.263CS..THydrogen-bonded Turntrans-58.2-25.7175.467.70000113.8F82 W122 Q127 G145F82-V143 HydrophobicContact CB-CG2 4.38Å; F82-V143 HydrophobicContact CD1-CG2 4.29Å; F82-V143 HydrophobicContact CD2-CG2 3.83Å; F82-V143 HydrophobicContact CE2-CB 4.49Å; F82-V143 HydrophobicContact CE2-CG1 4.29Å; F82-V143 HydrophobicContact CE2-CG2 4.12Å; F82-V143 HydrophobicContact CG-CG2 3.91Å; F82-V143 HydrophobicContact CZ-CG1 4.16Å; F82-V143 HydrophobicContact CZ-CG2 4.47Å; W122-V143 HydrophobicContact CH2-CB 4.46Å; W122-V143 HydrophobicContact CH2-CG2 4.21Å; W122-V143 HydrophobicContact CZ3-CB 4.16Å; W122-V143 HydrophobicContact CZ3-CG2 4.21Å; Q127-V143 PolarHBondContact O-N 3.03Å; V143-G145 VanDerWaalsContact C-N 3.31Å
144D90.9Very high92.3Very high125 Ų12559.9 Ų59.967%0.66831%0.305SS*.THydrogen-bonded Turntrans-84.3-3.7176.3-51.8-47.7000113.2S142S142-D144 PolarHBondContact O-N 3.47Å
145G89.5Confident91.5Very high42 Ų4261.5 Ų61.543%0.43331%0.308SS..SBendtrans96.72.3178.800000116.5S142 V143S142-G145 PolarHBondContact O-N 3.39Å; V143-G145 VanDerWaalsContact C-N 3.31Å
146N93.5Very high90.9Very high110 Ų11059.8 Ų59.859%0.58831%0.309SS*.  trans-77.1134.3179.1-64-47.1000110.6G141 S142 I148G141-N146 CarbonylContact C-O 3.59Å; G141-N146 VanDerWaalsContact CA-O 3.24Å; G141-N146 WeakPolarHBondContact CA-O 3.43Å; S142-N146 PolarHBondContact N-O 3.15Å; S142-N146 WeakPolarHBondContact OG-CB 3.47Å; S142-N146 PolarHBondContact OG-N 3.31Å; S142-N146 VanDerWaalsContact OG-N 3.1Å; N146-I148 PolarHBondContact O-N 2.92Å
147R94Very high90.8Very high163 Ų16361.9 Ų61.962%0.61532%0.323SS*.EExtended strand (participates in β ladder)trans-75116.4172.7-179.1173174.6-175.5-5.4109.8I139 G150I139-R147 HydrophobicContact CG2-CG 4.05Å; R147-G150 VanDerWaalsContact NH2-C 3.33Å; R147-G150 PolarHBondContact NH2-O 3.26Å
148I94.1Very high90.8Very high89 Ų8961.7 Ų61.746%0.45632%0.321SS..EExtended strand (participates in β ladder)trans-76.6-52175.9-57.3-177.1000109.2R128 V140 N146R128-I148 HydrophobicContact CG-CD1 3.7Å; V140-I148 HydrophobicContact CG1-CB 4.2Å; V140-I148 HydrophobicContact CG1-CD1 4.1Å; V140-I148 WeakPolarHBondContact O-CB 3.44Å; V140-I148 PolarHBondContact O-N 3.46Å; N146-I148 PolarHBondContact O-N 2.92Å
149W95.3Very high90.8Very high28 Ų2863 Ų6311%0.10633%0.329CS..EExtended strand (participates in β ladder)trans-153.9163.9170.358.7-101000110.4A138 V140 K151 L170 F172 S184A138-W149 HydrophobicContact CB-CH2 4.25Å; A138-W149 HydrophobicContact CB-CZ3 4.03Å; A138-W149 WeakPolarHBondContact O-CZ3 3.49Å; V140-W149 HydrophobicContact CB-CD2 4.05Å; V140-W149 HydrophobicContact CB-CG 4.33Å; V140-W149 HydrophobicContact CB-CZ2 4.02Å; V140-W149 HydrophobicContact CG2-CD2 4.09Å; V140-W149 HydrophobicContact CG2-CH2 3.73Å; V140-W149 HydrophobicContact CG2-CZ2 3.17Å; V140-W149 HydrophobicContact CG2-CZ3 4.39Å; V140-W149 PolarHBondContact N-O 2.67Å; V140-W149 PolarHBondContact O-N 3.05Å; W149-K151 HydrophobicContact CE3-CB 4.39Å; W149-K151 HydrophobicContact CE3-CD 4.44Å; W149-K151 HydrophobicContact CE3-CG 4.01Å; W149-K151 HydrophobicContact CZ3-CB 4.33Å; W149-K151 HydrophobicContact CZ3-CG 4.37Å; W149-L170 HydrophobicContact CH2-CD1 4.41Å; W149-L170 HydrophobicContact CZ2-CD1 3.78Å; W149-F172 HydrophobicContact CH2-CZ 4.08Å; W149-S184 PolarHBondContact NE1-O 2.99Å
150G93.4Very high90.7Very high23 Ų2362.3 Ų62.324%0.23733%0.326CS..EExtended strand (participates in β ladder)trans-155.9132.3162.300000110.3A138 R147A138-G150 CarbonylContact O-C 3.53Å; A138-G150 WeakPolarHBondContact O-CA 3.36Å; R147-G150 VanDerWaalsContact NH2-C 3.33Å; R147-G150 PolarHBondContact NH2-O 3.26Å
151K92.5Very high90.7Very high76 Ų7662.3 Ų62.333%0.3333%0.326SS..EExtended strand (participates in β ladder)trans-129148-172.3-65.2-177.3-174-178.90109.4A137 A138 W149 L153 C185 G186 N187A137-K151 WeakPolarHBondContact CA-O 3.29Å; A138-K151 PolarHBondContact N-O 2.92Å; A138-K151 PolarHBondContact O-N 3.13Å; W149-K151 HydrophobicContact CE3-CB 4.39Å; W149-K151 HydrophobicContact CE3-CD 4.44Å; W149-K151 HydrophobicContact CE3-CG 4.01Å; W149-K151 HydrophobicContact CZ3-CB 4.33Å; W149-K151 HydrophobicContact CZ3-CG 4.37Å; K151-L153 HydrophobicContact CB-CD2 4.45Å; K151-C185 PolarHBondContact NZ-O 3.35Å; K151-G186 VanDerWaalsContact CD-O 3.3Å; K151-G186 WeakPolarHBondContact CD-O 3.32Å; K151-G186 WeakPolarHBondContact CE-O 3.41Å; K151-G186 PolarHBondContact NZ-O 3.42Å; K151-N187 PolarHBondContact NZ-OD1 2.64Å; K151-N187 VanDerWaalsContact NZ-OD1 3.14Å
152E90.4Very high90.8Very high149 Ų14962 Ų6270%0.69632%0.322SS*.EExtended strand (participates in β ladder)trans-92.2112.4167.7-71.8178-18000108.2A137 K154A137-E152 HydrophobicContact CB-CG 4.43Å; E152-K154 PolarHBondContact O-N 3.3Å
153L85.8Confident90.7Very high17 Ų1761 Ų619%0.08932%0.315CS..  trans-80114.9-178.3-59.6-174.3000108.9G136 A138 K151 Y155 L158 F172 F182G136-L153 WeakPolarHBondContact O-CB 3.49Å; G136-L153 PolarHBondContact O-N 2.94Å; A138-L153 HydrophobicContact CB-CD1 4.19Å; A138-L153 HydrophobicContact CB-CG 4.45Å; K151-L153 HydrophobicContact CB-CD2 4.45Å; L153-Y155 HydrophobicContact CB-CD2 4.38Å; L153-Y155 PolarHBondContact O-N 3.35Å; L153-L158 HydrophobicContact CB-CD2 4.4Å; L153-L158 HydrophobicContact CD1-CD1 3.91Å; L153-L158 HydrophobicContact CD1-CD2 3.83Å; L153-L158 HydrophobicContact CD1-CG 4.48Å; L153-L158 HydrophobicContact CG-CD1 4.48Å; L153-F172 HydrophobicContact CD1-CB 4.45Å; L153-F172 HydrophobicContact CD1-CD1 4.29Å; L153-F172 HydrophobicContact CD1-CD2 3.93Å; L153-F172 HydrophobicContact CD1-CE2 4.22Å; L153-F172 HydrophobicContact CD1-CG 3.95Å; L153-F182 HydrophobicContact CD1-CE2 4.35Å; L153-F182 HydrophobicContact CD1-CZ 4.14Å; L153-F182 HydrophobicContact CD2-CE1 3.67Å; L153-F182 HydrophobicContact CD2-CZ 3.61Å; L153-F182 HydrophobicContact CG-CZ 4.47Å
154K79.4Confident90.7Very high204 Ų20460.4 Ų60.489%0.88731%0.312SS*.THydrogen-bonded Turntrans-714.4-175.3-64.3-175.8178.1-179.80114.7E152E152-K154 PolarHBondContact O-N 3.3Å
155Y76.1Confident90.5Very high114 Ų11456.5 Ų56.545%0.44729%0.293SS..THydrogen-bonded Turntrans-923.5-171-53.2-70.7000113.6L153 F182 Y188L153-Y155 HydrophobicContact CB-CD2 4.38Å; L153-Y155 PolarHBondContact O-N 3.35Å; Y155-F182 HydrophobicContact CD2-CZ 4.41Å; Y155-F182 HydrophobicContact CE2-CZ 4.01Å; Y155-Y188 HydrophobicContact CE2-CD2 4.1Å
156G80.1Confident90.3Very high39 Ų3959 Ų5940%0.40230%0.297SS..  trans111.1-170178.700000112.7L158G156-L158 PolarHBondContact O-N 2.86Å
157S90.4Very high90.1Very high46 Ų4653.9 Ų53.932%0.32227%0.269SS..  trans-67129.5-178.4-67.50000112E134 L175E134-S157 VanDerWaalsContact O-CA 3.23Å; E134-S157 WeakPolarHBondContact O-CA 3.38Å; E134-S157 WeakPolarHBondContact O-CB 3.37Å; E134-S157 PolarHBondContact O-OG 3.47Å; S157-L175 PolarHBondContact O-N 3.5Å
158L93.5Very high90Very high1 Ų150.1 Ų50.11%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-81.1144.6176.5-55.8175.9000110.4V132 A138 L153 G156 F172 G173 L174V132-L158 HydrophobicContact CB-CB 4.15Å; V132-L158 HydrophobicContact CB-CD1 3.9Å; V132-L158 HydrophobicContact CG1-CD1 3.9Å; A138-L158 HydrophobicContact CB-CD1 4.13Å; L153-L158 HydrophobicContact CB-CD2 4.4Å; L153-L158 HydrophobicContact CD1-CD1 3.91Å; L153-L158 HydrophobicContact CD1-CD2 3.83Å; L153-L158 HydrophobicContact CD1-CG 4.48Å; L153-L158 HydrophobicContact CG-CD1 4.48Å; G156-L158 PolarHBondContact O-N 2.86Å; L158-F172 HydrophobicContact CD2-CB 4.3Å; L158-G173 WeakPolarHBondContact CA-O 3.33Å; L158-L174 HydrophobicContact CD2-CD2 3.65Å
159T93.8Very high89.9Confident28 Ų2846.7 Ų46.717%0.17225%0.245CC..EExtended strand (participates in β ladder)trans-122.1-29.2-18056.60000113.9G173 L175T159-G173 PolarHBondContact N-O 2.95Å; T159-G173 PolarHBondContact OG1-O 3.13Å; T159-L175 HydrophobicContact CG2-CB 4.13Å; T159-L175 HydrophobicContact CG2-CD1 4.07Å
160S94.4Very high89.9Confident9 Ų945.4 Ų45.46%0.06324%0.24CC..EExtended strand (participates in β ladder)trans-155.1160.2-176.255.80000112.5D119 G173D119-S160 WeakPolarHBondContact OD2-CA 3.49Å; S160-G173 PolarHBondContact O-N 2.86Å
161V95.7Very high90Very high0 Ų044.3 Ų44.30%023%0.229CC..EExtended strand (participates in β ladder)trans-142.3149.2174.665.90000111.5D119 K121 C130 V132 L170 L171 F172D119-V161 HydrophobicContact CB-CG1 4.17Å; D119-V161 PolarHBondContact OD2-N 3.29Å; K121-V161 HydrophobicContact CB-CG1 4.37Å; K121-V161 HydrophobicContact CG-CG1 3.97Å; K121-V161 WeakPolarHBondContact CG-O 3.38Å; C130-V161 HydrophobicContact CB-CG2 4.15Å; V132-V161 HydrophobicContact CG1-CB 3.82Å; V132-V161 HydrophobicContact CG1-CG1 4.15Å; V132-V161 HydrophobicContact CG1-CG2 4.26Å; V132-V161 HydrophobicContact CG2-CB 4.14Å; V132-V161 HydrophobicContact CG2-CG1 4Å; V161-L170 HydrophobicContact CG2-CD2 4.05Å; V161-L171 VanDerWaalsContact CA-O 3.27Å; V161-L171 WeakPolarHBondContact CA-O 3.48Å; V161-F172 HydrophobicContact CB-CD1 4.24Å; V161-F172 HydrophobicContact CB-CE1 4.27Å; V161-F172 HydrophobicContact CG2-CD1 3.91Å; V161-F172 HydrophobicContact CG2-CE1 3.6Å; V161-F172 HydrophobicContact CG2-CZ 4.37Å
162E95.6Very high90.2Very high2 Ų240.7 Ų40.71%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-145.4141.1173.3-167.551.3-103.300113K121 L171 L209 W211K121-E162 VanDerWaalsContact CE-OE2 3.31Å; K121-E162 WeakPolarHBondContact CE-OE2 3.21Å; K121-E162 IonicContact NZ-OE2 3.01Å; K121-E162 PolarHBondContact NZ-OE2 2.93Å; E162-L171 PolarHBondContact N-O 3.09Å; E162-L171 PolarHBondContact O-N 3.19Å; E162-L209 HydrophobicContact CB-CD2 4.12Å; E162-L209 HydrophobicContact CB-CG 3.97Å; E162-W211 HydrophobicContact CG-CB 3.67Å
163W94.3Very high90.4Very high1 Ų133.6 Ų33.60%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-86.2126.6175.4-77101.3000110.6K121 W122 D123 R128 C130 V140 L170K121-W163 VanDerWaalsContact C-CD1 3.47Å; K121-W163 VanDerWaalsContact C-NE1 3.3Å; K121-W163 VanDerWaalsContact CB-CD1 3.47Å; K121-W163 PolarHBondContact O-NE1 3.38Å; W122-W163 VanDerWaalsContact C-NE1 3.3Å; D123-W163 HydrophobicContact CB-CD2 3.5Å; D123-W163 HydrophobicContact CB-CE3 3.66Å; D123-W163 HydrophobicContact CB-CG 3.94Å; D123-W163 HydrophobicContact CB-CH2 4.26Å; D123-W163 HydrophobicContact CB-CZ2 4.12Å; D123-W163 HydrophobicContact CB-CZ3 4.04Å; D123-W163 VanDerWaalsContact N-NE1 3.19Å; R128-W163 HydrophobicContact CB-CH2 3.68Å; R128-W163 HydrophobicContact CB-CZ2 3.69Å; C130-W163 HydrophobicContact CB-CZ2 4.02Å; V140-W163 HydrophobicContact CG1-CH2 4.27Å; V140-W163 HydrophobicContact CG1-CZ2 4.44Å; W163-L170 HydrophobicContact CD2-CD2 3.78Å; W163-L170 HydrophobicContact CE3-CD2 3.84Å; W163-L170 HydrophobicContact CE3-CG 4.33Å; W163-L170 HydrophobicContact CG-CD2 4.28Å; W163-L170 HydrophobicContact CH2-CD2 4.37Å; W163-L170 HydrophobicContact CZ2-CD2 4.33Å; W163-L170 HydrophobicContact CZ3-CD2 4.14Å; W163-L170 HydrophobicContact CZ3-CG 4.31Å
164S91.5Very high90.8Very high2 Ų233 Ų331%0.01418%0.177CC..  trans-61.6152.4169.566.50000111.1D166 G167 N168 T169S164-D166 WeakPolarHBondContact CB-OD1 3.21Å; S164-D166 PolarHBondContact O-N 3.28Å; S164-D166 VanDerWaalsContact O-N 3.16Å; S164-D166 PolarHBondContact OG-OD1 2.92Å; S164-G167 WeakPolarHBondContact O-CA 3.29Å; S164-G167 PolarHBondContact O-N 2.97Å; S164-N168 PolarHBondContact OG-N 3.22Å; S164-T169 WeakPolarHBondContact CB-O 3.42Å; S164-T169 PolarHBondContact N-O 3.15Å; S164-T169 WeakPolarHBondContact OG-CB 3.34Å; S164-T169 PolarHBondContact OG-N 3.1Å; S164-T169 PolarHBondContact OG-O 3.26Å
165P86.6Confident91.3Very high43 Ų4328.6 Ų28.628%0.27916%0.162SC..THydrogen-bonded Turntrans-54.2-38.1-176.3-3239.5000114.3S124 G167 W211 Y212 K213S124-P165 PolarHBondContact OG-O 2.85Å; P165-G167 VanDerWaalsContact C-N 3.31Å; P165-W211 HydrophobicContact CG-CG 4.36Å; P165-Y212 VanDerWaalsContact CG-O 3.27Å; P165-Y212 WeakPolarHBondContact CG-O 3.23Å; P165-K213 WeakPolarHBondContact CB-O 3.49Å
166D85.5Confident92Very high96 Ų9627.4 Ų27.451%0.51317%0.167SC..THydrogen-bonded Turntrans-83.1-2.5178.168.3-17.2000114S164 N168S164-D166 WeakPolarHBondContact CB-OD1 3.21Å; S164-D166 PolarHBondContact O-N 3.28Å; S164-D166 VanDerWaalsContact O-N 3.16Å; S164-D166 PolarHBondContact OG-OD1 2.92Å; D166-N168 VanDerWaalsContact CG-ND2 3.31Å; D166-N168 PolarHBondContact O-N 3.33Å; D166-N168 PolarHBondContact OD1-N 3.38Å; D166-N168 WeakPolarHBondContact OD2-CB 3.39Å; D166-N168 PolarHBondContact OD2-ND2 2.96Å
167G89.5Confident92.5Very high1 Ų125.8 Ų25.81%0.0115%0.15CC..SBendtrans68.114178.300000115.1R128 S164 P165R128-G167 PolarHBondContact NH1-O 3.41Å; R128-G167 PolarHBondContact NH2-O 2.84Å; S164-G167 WeakPolarHBondContact O-CA 3.29Å; S164-G167 PolarHBondContact O-N 2.97Å; P165-G167 VanDerWaalsContact C-N 3.31Å
168N91.4Very high92.6Very high85 Ų8527 Ų2746%0.45515%0.151SC..SBendtrans-95.6-21-175.2-68.5-38.3000113.6S164 D166 D183 S184S164-N168 PolarHBondContact OG-N 3.22Å; D166-N168 VanDerWaalsContact CG-ND2 3.31Å; D166-N168 PolarHBondContact O-N 3.33Å; D166-N168 PolarHBondContact OD1-N 3.38Å; D166-N168 WeakPolarHBondContact OD2-CB 3.39Å; D166-N168 PolarHBondContact OD2-ND2 2.96Å; N168-D183 CarbonylContact O-C 3.6Å; N168-S184 WeakPolarHBondContact O-CB 3.46Å; N168-S184 PolarHBondContact O-N 2.7Å
169T93.6Very high92.6Very high17 Ų1727 Ų2710%0.10415%0.151CC..EExtended strand (participates in β ladder)trans-127.5141.6-172.3-48.30000110.5S164 V181 F182S164-T169 WeakPolarHBondContact CB-O 3.42Å; S164-T169 PolarHBondContact N-O 3.15Å; S164-T169 WeakPolarHBondContact OG-CB 3.34Å; S164-T169 PolarHBondContact OG-N 3.1Å; S164-T169 PolarHBondContact OG-O 3.26Å; T169-V181 HydrophobicContact CG2-CG1 3.32Å; T169-F182 CarbonylContact C-O 3.48Å; T169-F182 WeakPolarHBondContact CA-O 3.2Å; T169-F182 WeakPolarHBondContact CG2-O 3.42Å
170L95.1Very high92.7Very high0 Ų025.8 Ų25.80%014%0.144CC..EExtended strand (participates in β ladder)trans-118.5133173.8-76.8164.6000109.4C130 V140 W149 V161 W163 F172 F182C130-L170 HydrophobicContact CB-CD2 4.05Å; V140-L170 HydrophobicContact CG2-CD1 4.14Å; W149-L170 HydrophobicContact CH2-CD1 4.41Å; W149-L170 HydrophobicContact CZ2-CD1 3.78Å; V161-L170 HydrophobicContact CG2-CD2 4.05Å; W163-L170 HydrophobicContact CD2-CD2 3.78Å; W163-L170 HydrophobicContact CE3-CD2 3.84Å; W163-L170 HydrophobicContact CE3-CG 4.33Å; W163-L170 HydrophobicContact CG-CD2 4.28Å; W163-L170 HydrophobicContact CH2-CD2 4.37Å; W163-L170 HydrophobicContact CZ2-CD2 4.33Å; W163-L170 HydrophobicContact CZ3-CD2 4.14Å; W163-L170 HydrophobicContact CZ3-CG 4.31Å; L170-F172 HydrophobicContact CB-CE2 3.95Å; L170-F172 HydrophobicContact CB-CZ 4.13Å; L170-F172 HydrophobicContact CD1-CZ 4.22Å; L170-F182 HydrophobicContact CB-CB 4.48Å; L170-F182 PolarHBondContact N-O 3.42Å; L170-F182 PolarHBondContact O-N 3.43Å
171L95.8Very high92.7Very high0 Ų025.4 Ų25.40%014%0.141CC..EExtended strand (participates in β ladder)trans-103.8130.1172.4-56-178.6000109.1V161 E162 I179 V181 L209 W211 L226 H241V161-L171 VanDerWaalsContact CA-O 3.27Å; V161-L171 WeakPolarHBondContact CA-O 3.48Å; E162-L171 PolarHBondContact N-O 3.09Å; E162-L171 PolarHBondContact O-N 3.19Å; L171-I179 HydrophobicContact CB-CG2 4.12Å; L171-V181 HydrophobicContact CD2-CB 4.17Å; L171-V181 HydrophobicContact CD2-CG1 3.91Å; L171-V181 HydrophobicContact CD2-CG2 3.75Å; L171-L209 HydrophobicContact CB-CD2 3.62Å; L171-L209 HydrophobicContact CD1-CD1 4.14Å; L171-L209 HydrophobicContact CD1-CD2 4.37Å; L171-L209 HydrophobicContact CD1-CG 4.43Å; L171-W211 HydrophobicContact CD1-CE3 3.59Å; L171-W211 HydrophobicContact CD1-CH2 4.47Å; L171-W211 HydrophobicContact CD1-CZ3 3.51Å; L171-W211 HydrophobicContact CD2-CZ3 4.14Å; L171-W211 HydrophobicContact CG-CE3 4.11Å; L171-W211 HydrophobicContact CG-CZ3 3.73Å; L171-L226 HydrophobicContact CD1-CD1 3.84Å; L171-L226 HydrophobicContact CD1-CD2 3.93Å; L171-H241 HydrophobicContact CD2-CB 4.12Å
172F96Very high92.7Very high0 Ų025.7 Ų25.70%014%0.142CC..EExtended strand (participates in β ladder)trans-115.9119.6175.7-66.8-70.6000110.3V132 A138 W149 L153 L158 V161 L170 I179 C180 F182V132-F172 HydrophobicContact CG1-CD1 3.61Å; V132-F172 HydrophobicContact CG1-CE1 3.44Å; V132-F172 VanDerWaalsContact CG1-CE1 3.44Å; A138-F172 HydrophobicContact CB-CE1 3.84Å; A138-F172 HydrophobicContact CB-CZ 3.98Å; W149-F172 HydrophobicContact CH2-CZ 4.08Å; L153-F172 HydrophobicContact CD1-CB 4.45Å; L153-F172 HydrophobicContact CD1-CD1 4.29Å; L153-F172 HydrophobicContact CD1-CD2 3.93Å; L153-F172 HydrophobicContact CD1-CE2 4.22Å; L153-F172 HydrophobicContact CD1-CG 3.95Å; L158-F172 HydrophobicContact CD2-CB 4.3Å; V161-F172 HydrophobicContact CB-CD1 4.24Å; V161-F172 HydrophobicContact CB-CE1 4.27Å; V161-F172 HydrophobicContact CG2-CD1 3.91Å; V161-F172 HydrophobicContact CG2-CE1 3.6Å; V161-F172 HydrophobicContact CG2-CZ 4.37Å; L170-F172 HydrophobicContact CB-CE2 3.95Å; L170-F172 HydrophobicContact CB-CZ 4.13Å; L170-F172 HydrophobicContact CD1-CZ 4.22Å; F172-I179 WeakPolarHBondContact O-CA 3.49Å; F172-C180 PolarHBondContact N-O 2.66Å; F172-C180 PolarHBondContact O-N 3.08Å; F172-F182 HydrophobicContact CD2-CB 4.26Å; F172-F182 AromaticContact CD2-CD2 3.36Å; F172-F182 HydrophobicContact CD2-CD2 3.36Å; F172-F182 AromaticContact CD2-CE2 3.73Å; F172-F182 HydrophobicContact CD2-CE2 3.73Å; F172-F182 AromaticContact CD2-CG 3.89Å; F172-F182 HydrophobicContact CD2-CG 3.89Å; F172-F182 HydrophobicContact CE2-CB 3.92Å; F172-F182 HydrophobicContact CE2-CD1 4.45Å; F172-F182 AromaticContact CE2-CD2 3.8Å; F172-F182 HydrophobicContact CE2-CD2 3.8Å; F172-F182 HydrophobicContact CE2-CE2 4.36Å; F172-F182 AromaticContact CE2-CG 3.82Å; F172-F182 HydrophobicContact CE2-CG 3.82Å
173G94.8Very high92.6Very high0 Ų027.4 Ų27.40%015%0.151CC..EExtended strand (participates in β ladder)trans-82.6135.4171.400000111.5L158 T159 S160L158-G173 WeakPolarHBondContact CA-O 3.33Å; T159-G173 PolarHBondContact N-O 2.95Å; T159-G173 PolarHBondContact OG1-O 3.13Å; S160-G173 PolarHBondContact O-N 2.86Å
174L93.8Very high92.5Very high6 Ų628.7 Ų28.73%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-102.1156176.8-56.7-177.2000111.1L158 T176 G177 E178L158-L174 HydrophobicContact CD2-CD2 3.65Å; L174-T176 WeakPolarHBondContact CB-OG1 3.24Å; L174-T176 PolarHBondContact O-N 3.23Å; L174-T176 VanDerWaalsContact O-N 3.09Å; L174-G177 PolarHBondContact O-N 3.41Å; L174-E178 WeakPolarHBondContact CB-O 3.38Å; L174-E178 HydrophobicContact CD1-CB 4.22Å; L174-E178 PolarHBondContact N-O 3.4Å
175L91Very high92.6Very high110 Ų11032.2 Ų32.258%0.57618%0.184SC*.THydrogen-bonded Turntrans-58.9-22.6174.1-17364.5000113.3S157 T159 G177S157-L175 PolarHBondContact O-N 3.5Å; T159-L175 HydrophobicContact CG2-CB 4.13Å; T159-L175 HydrophobicContact CG2-CD1 4.07Å; L175-G177 PolarHBondContact O-N 3.16Å
176T89.3Confident92.7Very high90 Ų9030.2 Ų30.255%0.55217%0.172SC*.THydrogen-bonded Turntrans-72.8-7.5175.253.90000113.8L174 E178L174-T176 WeakPolarHBondContact CB-OG1 3.24Å; L174-T176 PolarHBondContact O-N 3.23Å; L174-T176 VanDerWaalsContact O-N 3.09Å; T176-E178 VanDerWaalsContact C-N 3.32Å; T176-E178 WeakPolarHBondContact OG1-CG 3.48Å
177G90.3Very high93.1Very high4 Ų429.4 Ų29.44%0.04117%0.167CC..SBendtrans86.71.2-17300000113.7L174 L175 Y230L174-G177 PolarHBondContact O-N 3.41Å; L175-G177 PolarHBondContact O-N 3.16Å; G177-Y230 WeakPolarHBondContact O-CE1 3.39Å; G177-Y230 PolarHBondContact O-OH 2.7Å
178E92.5Very high93.3Very high72 Ų7233.9 Ų33.934%0.33619%0.185SC..  trans-87.3152.5179.5-59-176.116000111.8L174 T176 K191L174-E178 WeakPolarHBondContact CB-O 3.38Å; L174-E178 HydrophobicContact CD1-CB 4.22Å; L174-E178 PolarHBondContact N-O 3.4Å; T176-E178 VanDerWaalsContact C-N 3.32Å; T176-E178 WeakPolarHBondContact OG1-CG 3.48Å; E178-K191 VanDerWaalsContact CD-CE 3.46Å; E178-K191 IonicContact OE1-NZ 2.8Å; E178-K191 PolarHBondContact OE1-NZ 3.27Å; E178-K191 IonicContact OE2-NZ 2.59Å; E178-K191 PolarHBondContact OE2-NZ 2.84Å
179I95Very high93.4Very high0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-121.3123.2178.8-63166.6000109.2L171 F172 M192 I206 L209 V228L171-I179 HydrophobicContact CB-CG2 4.12Å; F172-I179 WeakPolarHBondContact O-CA 3.49Å; I179-M192 HydrophobicContact CB-CB 4.22Å; I179-M192 HydrophobicContact CB-CE 3.89Å; I179-M192 HydrophobicContact CD1-CE 3.29Å; I179-M192 HydrophobicContact CG1-CE 4.16Å; I179-M192 HydrophobicContact CG2-CB 4.23Å; I179-M192 HydrophobicContact CG2-CE 3.9Å; I179-M192 HydrophobicContact CG2-SD 4.46Å; I179-M192 PolarHBondContact O-N 3.23Å; I179-I206 HydrophobicContact CD1-CD1 4.12Å; I179-I206 HydrophobicContact CG1-CD1 3.58Å; I179-L209 HydrophobicContact CD1-CD1 3.89Å; I179-V228 HydrophobicContact CD1-CB 4.46Å; I179-V228 HydrophobicContact CD1-CG1 3.51Å; I179-V228 HydrophobicContact CD1-CG2 4.06Å
180C94.8Very high93.4Very high4 Ų436 Ų363%0.02719%0.194CC..EExtended strand (participates in β ladder)trans-104.3137.4176.5-69.10000110.5F172 F182 Y188F172-C180 PolarHBondContact N-O 2.66Å; F172-C180 PolarHBondContact O-N 3.08Å; C180-F182 HydrophobicContact CB-CD2 4.26Å; C180-F182 HydrophobicContact CB-CE2 3.69Å; C180-Y188 HydrophobicContact CB-CD2 4.38Å; C180-Y188 HydrophobicContact CB-CE2 3.93Å
181V95.4Very high93.2Very high0 Ų040.4 Ų40.40%021%0.214CC..EExtended strand (participates in β ladder)trans-102.9133.6-177.8-170.20000108.9T169 L171 L189 N190 M192T169-V181 HydrophobicContact CG2-CG1 3.32Å; L171-V181 HydrophobicContact CD2-CB 4.17Å; L171-V181 HydrophobicContact CD2-CG1 3.91Å; L171-V181 HydrophobicContact CD2-CG2 3.75Å; V181-L189 HydrophobicContact CB-CB 4.47Å; V181-L189 HydrophobicContact CG1-CB 4.44Å; V181-L189 HydrophobicContact CG1-CD1 4.14Å; V181-L189 PolarHBondContact O-N 3.14Å; V181-N190 WeakPolarHBondContact CB-OD1 3.45Å; V181-N190 VanDerWaalsContact CG2-OD1 3.27Å; V181-N190 WeakPolarHBondContact CG2-OD1 3.3Å; V181-N190 PolarHBondContact N-O 2.86Å; V181-M192 HydrophobicContact CG2-CB 4.17Å
182F94.8Very high93.1Very high6 Ų640.5 Ų40.53%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-131.9153.3179.7-74.9-110.6000110.5L153 Y155 T169 L170 F172 C180 G186 N187 Y188L153-F182 HydrophobicContact CD1-CE2 4.35Å; L153-F182 HydrophobicContact CD1-CZ 4.14Å; L153-F182 HydrophobicContact CD2-CE1 3.67Å; L153-F182 HydrophobicContact CD2-CZ 3.61Å; L153-F182 HydrophobicContact CG-CZ 4.47Å; Y155-F182 HydrophobicContact CD2-CZ 4.41Å; Y155-F182 HydrophobicContact CE2-CZ 4.01Å; T169-F182 CarbonylContact C-O 3.48Å; T169-F182 WeakPolarHBondContact CA-O 3.2Å; T169-F182 WeakPolarHBondContact CG2-O 3.42Å; L170-F182 HydrophobicContact CB-CB 4.48Å; L170-F182 PolarHBondContact N-O 3.42Å; L170-F182 PolarHBondContact O-N 3.43Å; F172-F182 HydrophobicContact CD2-CB 4.26Å; F172-F182 AromaticContact CD2-CD2 3.36Å; F172-F182 HydrophobicContact CD2-CD2 3.36Å; F172-F182 AromaticContact CD2-CE2 3.73Å; F172-F182 HydrophobicContact CD2-CE2 3.73Å; F172-F182 AromaticContact CD2-CG 3.89Å; F172-F182 HydrophobicContact CD2-CG 3.89Å; F172-F182 HydrophobicContact CE2-CB 3.92Å; F172-F182 HydrophobicContact CE2-CD1 4.45Å; F172-F182 AromaticContact CE2-CD2 3.8Å; F172-F182 HydrophobicContact CE2-CD2 3.8Å; F172-F182 HydrophobicContact CE2-CE2 4.36Å; F172-F182 AromaticContact CE2-CG 3.82Å; F172-F182 HydrophobicContact CE2-CG 3.82Å; C180-F182 HydrophobicContact CB-CD2 4.26Å; C180-F182 HydrophobicContact CB-CE2 3.69Å; F182-G186 WeakPolarHBondContact CD1-O 3.41Å; F182-N187 CarbonylContact C-O 3.55Å; F182-N187 WeakPolarHBondContact CA-O 3.48Å; F182-N187 WeakPolarHBondContact CB-O 3.28Å; F182-N187 WeakPolarHBondContact CD1-O 3.36Å; F182-Y188 HydrophobicContact CD2-CD2 4.31Å; F182-Y188 HydrophobicContact CE1-CD2 4.3Å; F182-Y188 AromaticContact CE2-CD2 3.72Å; F182-Y188 HydrophobicContact CE2-CD2 3.72Å; F182-Y188 AromaticContact CZ-CD2 3.7Å; F182-Y188 HydrophobicContact CZ-CD2 3.7Å; F182-Y188 HydrophobicContact CZ-CG 4.34Å
183D94Very high93Very high38 Ų3843.5 Ų43.520%0.20324%0.235CC..EExtended strand (participates in β ladder)trans-73.4167.3166.771.118.8000111.4N168 C185 G186 N187 L189N168-D183 CarbonylContact O-C 3.6Å; D183-C185 PolarHBondContact O-N 2.99Å; D183-C185 VanDerWaalsContact O-N 3.1Å; D183-C185 VanDerWaalsContact OD1-C 3.22Å; D183-C185 VanDerWaalsContact OD1-CA 3.28Å; D183-C185 WeakPolarHBondContact OD1-CA 3.26Å; D183-C185 WeakPolarHBondContact OD1-CB 3.28Å; D183-C185 PolarHBondContact OD1-N 2.85Å; D183-G186 PolarHBondContact O-N 2.78Å; D183-G186 PolarHBondContact OD1-N 3.38Å; D183-N187 PolarHBondContact N-O 2.91Å; D183-N187 PolarHBondContact OD1-N 3.48Å; D183-N187 PolarHBondContact OD1-ND2 2.94Å; D183-N187 WeakPolarHBondContact OD2-CB 3.39Å; D183-N187 PolarHBondContact OD2-ND2 3.08Å; D183-L189 HydrophobicContact CB-CD1 4.31Å; D183-L189 HydrophobicContact CB-CD2 4.35Å; D183-L189 HydrophobicContact CB-CG 4.47Å
184S92.7Very high92.8Very high28 Ų2845.5 Ų45.520%0.19625%0.247CC..THydrogen-bonded Turntrans-62.4-14.7177.464.60000114.3W149 N168 G186W149-S184 PolarHBondContact NE1-O 2.99Å; N168-S184 WeakPolarHBondContact O-CB 3.46Å; N168-S184 PolarHBondContact O-N 2.7Å; S184-G186 VanDerWaalsContact C-N 3.34Å
185C92.7Very high92.7Very high76 Ų7648.5 Ų48.551%0.51426%0.259SS..THydrogen-bonded Turntrans-89.91.2173.2-62.40000112.9K151 D183K151-C185 PolarHBondContact NZ-O 3.35Å; D183-C185 PolarHBondContact O-N 2.99Å; D183-C185 VanDerWaalsContact O-N 3.1Å; D183-C185 VanDerWaalsContact OD1-C 3.22Å; D183-C185 VanDerWaalsContact OD1-CA 3.28Å; D183-C185 WeakPolarHBondContact OD1-CA 3.26Å; D183-C185 WeakPolarHBondContact OD1-CB 3.28Å; D183-C185 PolarHBondContact OD1-N 2.85Å
186G89.3Confident92.6Very high2 Ų243.7 Ų43.72%0.02123%0.234CC..SBendtrans76.922.817900000113.9K151 F182 D183 S184K151-G186 VanDerWaalsContact CD-O 3.3Å; K151-G186 WeakPolarHBondContact CD-O 3.32Å; K151-G186 WeakPolarHBondContact CE-O 3.41Å; K151-G186 PolarHBondContact NZ-O 3.42Å; F182-G186 WeakPolarHBondContact CD1-O 3.41Å; D183-G186 PolarHBondContact O-N 2.78Å; D183-G186 PolarHBondContact OD1-N 3.38Å; S184-G186 VanDerWaalsContact C-N 3.34Å
187N92.9Very high92.7Very high79 Ų7940.8 Ų40.842%0.42222%0.215SC..  trans-87137170.9-50.9-49.7000110.2K151 F182 D183K151-N187 PolarHBondContact NZ-OD1 2.64Å; K151-N187 VanDerWaalsContact NZ-OD1 3.14Å; F182-N187 CarbonylContact C-O 3.55Å; F182-N187 WeakPolarHBondContact CA-O 3.48Å; F182-N187 WeakPolarHBondContact CB-O 3.28Å; F182-N187 WeakPolarHBondContact CD1-O 3.36Å; D183-N187 PolarHBondContact N-O 2.91Å; D183-N187 PolarHBondContact OD1-N 3.48Å; D183-N187 PolarHBondContact OD1-ND2 2.94Å; D183-N187 WeakPolarHBondContact OD2-CB 3.39Å; D183-N187 PolarHBondContact OD2-ND2 3.08Å
188Y93.6Very high92.4Very high95 Ų9545.8 Ų45.837%0.37324%0.241SC..EExtended strand (participates in β ladder)trans-69130.6178.5177.2-96000110.2Y155 C180 F182 N190 K191Y155-Y188 HydrophobicContact CE2-CD2 4.1Å; C180-Y188 HydrophobicContact CB-CD2 4.38Å; C180-Y188 HydrophobicContact CB-CE2 3.93Å; F182-Y188 HydrophobicContact CD2-CD2 4.31Å; F182-Y188 HydrophobicContact CE1-CD2 4.3Å; F182-Y188 AromaticContact CE2-CD2 3.72Å; F182-Y188 HydrophobicContact CE2-CD2 3.72Å; F182-Y188 AromaticContact CZ-CD2 3.7Å; F182-Y188 HydrophobicContact CZ-CD2 3.7Å; F182-Y188 HydrophobicContact CZ-CG 4.34Å; Y188-N190 WeakPolarHBondContact CE2-O 2.99Å; Y188-N190 VanDerWaalsContact OH-C 3.22Å; Y188-K191 PolarHBondContact OH-N 3.46Å; Y188-K191 VanDerWaalsContact OH-N 3.16Å
189L93.6Very high91.9Very high87 Ų8749.7 Ų49.746%0.45526%0.264SS..EExtended strand (participates in β ladder)trans-100-67.8177-61.6178.2000110.1V181 D183V181-L189 HydrophobicContact CB-CB 4.47Å; V181-L189 HydrophobicContact CG1-CB 4.44Å; V181-L189 HydrophobicContact CG1-CD1 4.14Å; V181-L189 PolarHBondContact O-N 3.14Å; D183-L189 HydrophobicContact CB-CD1 4.31Å; D183-L189 HydrophobicContact CB-CD2 4.35Å; D183-L189 HydrophobicContact CB-CG 4.47Å
190N93.4Very high91.4Very high58 Ų5852.1 Ų52.131%0.3128%0.277SS..EExtended strand (participates in β ladder)trans-158.7178.9-178.362.3-5000111.4V181 Y188V181-N190 WeakPolarHBondContact CB-OD1 3.45Å; V181-N190 VanDerWaalsContact CG2-OD1 3.27Å; V181-N190 WeakPolarHBondContact CG2-OD1 3.3Å; V181-N190 PolarHBondContact N-O 2.86Å; Y188-N190 WeakPolarHBondContact CE2-O 2.99Å; Y188-N190 VanDerWaalsContact OH-C 3.22Å
191K92.7Very high90.5Very high93 Ų9360.7 Ų60.740%0.40432%0.316SS..EExtended strand (participates in β ladder)trans-100.1132.8169.9176.7-179.9170.8-179.90108.4E178 Y188E178-K191 VanDerWaalsContact CD-CE 3.46Å; E178-K191 IonicContact OE1-NZ 2.8Å; E178-K191 PolarHBondContact OE1-NZ 3.27Å; E178-K191 IonicContact OE2-NZ 2.59Å; E178-K191 PolarHBondContact OE2-NZ 2.84Å; Y188-K191 PolarHBondContact OH-N 3.46Å; Y188-K191 VanDerWaalsContact OH-N 3.16Å
192M93.3Very high89.7Confident3 Ų363.7 Ų63.72%0.01535%0.347CS..PPolyproline II helixtrans-74.1138.9178.5-172.1172.676.900111I179 V181 L226 V228 M238 H241I179-M192 HydrophobicContact CB-CB 4.22Å; I179-M192 HydrophobicContact CB-CE 3.89Å; I179-M192 HydrophobicContact CD1-CE 3.29Å; I179-M192 HydrophobicContact CG1-CE 4.16Å; I179-M192 HydrophobicContact CG2-CB 4.23Å; I179-M192 HydrophobicContact CG2-CE 3.9Å; I179-M192 HydrophobicContact CG2-SD 4.46Å; I179-M192 PolarHBondContact O-N 3.23Å; V181-M192 HydrophobicContact CG2-CB 4.17Å; M192-L226 HydrophobicContact SD-CD2 3.95Å; M192-V228 HydrophobicContact CE-CG2 3.57Å; M192-M238 HydrophobicContact CE-SD 4.2Å; M192-M238 HydrophobicContact CG-CE 4.1Å; M192-M238 HydrophobicContact CG-SD 4.4Å; M192-M238 HydrophobicContact SD-CE 4.15Å; M192-M238 HydrophobicContact SD-SD 3.84Å; M192-H241 WeakPolarHBondContact CG-O 3.42Å; M192-H241 HydrophobicContact SD-CB 4.1Å
193S92.4Very high89.2Confident62 Ų6268.5 Ų68.543%0.43439%0.388SS..PPolyproline II helixtrans-72131.5178-62.90000111.9Y195 Q236S193-Y195 VanDerWaalsContact CB-CE2 3.47Å; S193-Y195 VanDerWaalsContact CB-CZ 3.48Å; S193-Y195 WeakPolarHBondContact CB-OH 3.24Å; S193-Q236 PolarHBondContact O-NE2 3.19Å
194T90.8Very high89.1Confident42 Ų4267.6 Ų67.626%0.25838%0.384SS..  trans-113.8107.5179.2510000110.3Y230T194-Y230 WeakPolarHBondContact CG2-OH 3.4Å
195Y92.2Very high89.1Confident70 Ų7073.5 Ų73.528%0.27540%0.402SS..  trans-101.2-30.3-173.5-56.4-85.4000112.5S193 L197 N198 P246S193-Y195 VanDerWaalsContact CB-CE2 3.47Å; S193-Y195 VanDerWaalsContact CB-CZ 3.48Å; S193-Y195 WeakPolarHBondContact CB-OH 3.24Å; Y195-L197 PolarHBondContact O-N 3.14Å; Y195-L197 VanDerWaalsContact O-N 3.12Å; Y195-N198 VanDerWaalsContact O-CG 3.25Å; Y195-N198 PolarHBondContact O-N 3.06Å; Y195-N198 PolarHBondContact O-ND2 3.47Å; Y195-P246 HydrophobicContact CD2-CG 3.39Å; Y195-P246 HydrophobicContact CE2-CG 3.88Å; Y195-P246 HydrophobicContact CG-CG 4.13Å
196C90.2Very high89.2Confident9 Ų970.1 Ų70.16%0.06138%0.379CS..THydrogen-bonded Turntrans-69-9.7-176.862.40000114.6Y230 R234 C235 Q236 L248C196-Y230 VanDerWaalsContact SG-CE2 3.52Å; C196-R234 HydrophobicContact CB-CB 4.24Å; C196-C235 WeakPolarHBondContact CB-O 3.36Å; C196-Q236 HydrophobicContact CB-CB 4.06Å; C196-L248 HydrophobicContact CB-CD2 3.99Å
197L90.4Very high89.4Confident28 Ų2871.8 Ų71.815%0.14739%0.388CS..THydrogen-bonded Turntrans-97.82.5179.2-61.7177.6000113.5Y195 N199 I200 V204 Y230 V232 R234Y195-L197 PolarHBondContact O-N 3.14Å; Y195-L197 VanDerWaalsContact O-N 3.12Å; L197-N199 PolarHBondContact O-N 2.77Å; L197-I200 HydrophobicContact CD2-CD1 4.15Å; L197-I200 WeakPolarHBondContact O-CB 3.43Å; L197-I200 PolarHBondContact O-N 2.84Å; L197-V204 HydrophobicContact CD1-CG2 3.77Å; L197-V204 HydrophobicContact CD2-CG1 4.31Å; L197-V204 HydrophobicContact CD2-CG2 4.23Å; L197-Y230 HydrophobicContact CD1-CD1 4.16Å; L197-Y230 HydrophobicContact CD1-CD2 4.48Å; L197-Y230 HydrophobicContact CD1-CE1 3.72Å; L197-Y230 HydrophobicContact CD1-CE2 4.08Å; L197-Y230 HydrophobicContact CD2-CD1 4.28Å; L197-Y230 HydrophobicContact CD2-CD2 3.96Å; L197-Y230 HydrophobicContact CD2-CE2 4.31Å; L197-Y230 HydrophobicContact CD2-CG 3.95Å; L197-Y230 HydrophobicContact CG-CD2 4.27Å; L197-Y230 HydrophobicContact CG-CE2 4.11Å; L197-V232 HydrophobicContact CD2-CG2 4.43Å; L197-R234 HydrophobicContact CD2-CB 4.29Å; L197-R234 HydrophobicContact CD2-CG 4.48Å
198N84.3Confident89.5Confident109 Ų10968.6 Ų68.658%0.58337%0.372SS*.THydrogen-bonded Turntrans-54.3130174.6-73.6-15000110.1Y195 I200Y195-N198 VanDerWaalsContact O-CG 3.25Å; Y195-N198 PolarHBondContact O-N 3.06Å; Y195-N198 PolarHBondContact O-ND2 3.47Å; N198-I200 VanDerWaalsContact C-N 3.33Å
199N81.3Confident89.5Confident155 Ų15564.4 Ų64.483%0.82936%0.356SS*.THydrogen-bonded Turntrans71.411.8-175.6-47.5-39.3000116.5L197L197-N199 PolarHBondContact O-N 2.77Å
200I84.2Confident89.5Confident50 Ų5061.6 Ų61.626%0.25634%0.342SS..  trans-98.7121171.4-60.2-177.7000109.2L197 N198 V204 V232 R234L197-I200 HydrophobicContact CD2-CD1 4.15Å; L197-I200 WeakPolarHBondContact O-CB 3.43Å; L197-I200 PolarHBondContact O-N 2.84Å; N198-I200 VanDerWaalsContact C-N 3.33Å; I200-V204 HydrophobicContact CG2-CG1 3.93Å; I200-V232 HydrophobicContact CD1-CG2 4.18Å; I200-R234 HydrophobicContact CD1-CG 3.43Å; I200-R234 VanDerWaalsContact CD1-CG 3.43Å
201H77.3Confident89.5Confident184 Ų18459.5 Ų59.585%0.85233%0.329SS*.  trans-109.1119.9174.7-59.1-58.9000109.1
202G77.9Confident89.2Confident64 Ų6457 Ų5766%0.6632%0.318SS*.SBendtrans144.5172.9179.900000112.1V204G202-V204 PolarHBondContact O-N 3.45Å
203A84.8Confident88.3Confident106 Ų10659.1 Ų59.188%0.87633%0.327SS*.  trans-71.7126.2170.700000109
204V91.6Very high87Confident19 Ų1957.4 Ų57.412%0.11532%0.319CS..  trans-121147.7174.1-66.60000108.9L197 I200 G202 Y230 V232L197-V204 HydrophobicContact CD1-CG2 3.77Å; L197-V204 HydrophobicContact CD2-CG1 4.31Å; L197-V204 HydrophobicContact CD2-CG2 4.23Å; I200-V204 HydrophobicContact CG2-CG1 3.93Å; G202-V204 PolarHBondContact O-N 3.45Å; V204-Y230 HydrophobicContact CB-CD1 4.36Å; V204-Y230 HydrophobicContact CG2-CD1 4.23Å; V204-V232 HydrophobicContact CG1-CG1 3.97Å; V204-V232 HydrophobicContact CG1-CG2 3.91Å
205R92.4Very high85.3Confident152 Ų15260.1 Ų60.157%0.57433%0.329SS*.  trans-117.8136.5-178.4170.7177.6172.3-169.4-1.5110.4V207 Y230 D231R205-V207 PolarHBondContact O-N 3.33Å; R205-Y230 VanDerWaalsContact O-CA 3.3Å; R205-Y230 WeakPolarHBondContact O-CA 3.29Å; R205-D231 HydrophobicContact CB-CB 4.4Å; R205-D231 PolarHBondContact N-OD1 3.41Å; R205-D231 PolarHBondContact O-N 3.4Å
206I94.8Very high83.1Confident6 Ų661.1 Ų61.13%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-68.9121.3166.8-61159.1000108.1I179 Y230I179-I206 HydrophobicContact CD1-CD1 4.12Å; I179-I206 HydrophobicContact CG1-CD1 3.58Å; I206-Y230 HydrophobicContact CG1-CD1 4.21Å; I206-Y230 HydrophobicContact CG1-CE1 3.67Å
207V94.4Very high80.6Confident36 Ų3668.7 Ų68.722%0.21838%0.379CS..EExtended strand (participates in β ladder)trans-94.1-41.6177.51710000110.7R205 C229 D231 I255 T256R205-V207 PolarHBondContact O-N 3.33Å; V207-C229 PolarHBondContact N-O 3.15Å; V207-D231 VanDerWaalsContact CG2-CA 3.46Å; V207-D231 HydrophobicContact CG2-CB 3.66Å; V207-D231 VanDerWaalsContact CG2-N 3.33Å; V207-I255 HydrophobicContact CB-CG2 4.36Å; V207-I255 HydrophobicContact CG1-CG2 3.88Å; V207-I255 WeakPolarHBondContact CG2-O 3.38Å; V207-T256 WeakPolarHBondContact CG1-O 3.24Å
208S93.4Very high78.4Confident13 Ų1371.8 Ų71.89%0.09139%0.389CS..EExtended strand (participates in β ladder)trans-146.9144.7179.856.80000111.1C229 S258S208-C229 PolarHBondContact N-O 2.93Å; S208-C229 PolarHBondContact O-N 3.03Å; S208-C229 VanDerWaalsContact O-N 3.09Å; S208-C229 VanDerWaalsContact OG-CB 3.24Å; S208-C229 WeakPolarHBondContact OG-CB 3.24Å; S208-S258 VanDerWaalsContact CB-OG 3.28Å; S208-S258 WeakPolarHBondContact CB-OG 3.43Å; S208-S258 PolarHBondContact OG-OG 3.49Å
209L94.5Very high76.2Confident6 Ų670.3 Ų70.33%0.03140%0.4CS..EExtended strand (participates in β ladder)trans-133.4104.2172.6-175.363.9000104.9E162 L171 I179 L226 V228E162-L209 HydrophobicContact CB-CD2 4.12Å; E162-L209 HydrophobicContact CB-CG 3.97Å; L171-L209 HydrophobicContact CB-CD2 3.62Å; L171-L209 HydrophobicContact CD1-CD1 4.14Å; L171-L209 HydrophobicContact CD1-CD2 4.37Å; L171-L209 HydrophobicContact CD1-CG 4.43Å; I179-L209 HydrophobicContact CD1-CD1 3.89Å; L209-L226 HydrophobicContact CD1-CD1 4.12Å; L209-V228 HydrophobicContact CD1-CG2 3.84Å
210D93.6Very high74.4Confident29 Ų2965.5 Ų65.516%0.15538%0.376CS..EExtended strand (participates in β ladder)trans-131.7122.5-172.4-167.823.2000109.8A227 C259 W260D210-A227 PolarHBondContact N-O 3.13Å; D210-A227 VanDerWaalsContact N-O 3.07Å; D210-A227 PolarHBondContact O-N 2.92Å; D210-C259 WeakPolarHBondContact OD2-CA 3.37Å; D210-W260 PolarHBondContact O-NE1 2.93Å; D210-W260 PolarHBondContact OD2-N 3.13Å
211W92Very high72.8Confident13 Ų1374.3 Ų74.35%0.04941%0.406CS..EExtended strand (participates in β ladder)trans-115.7117.1-177.2-150.4-22.6000109E162 P165 L171 K213 S225 L226 N240 H241E162-W211 HydrophobicContact CG-CB 3.67Å; P165-W211 HydrophobicContact CG-CG 4.36Å; L171-W211 HydrophobicContact CD1-CE3 3.59Å; L171-W211 HydrophobicContact CD1-CH2 4.47Å; L171-W211 HydrophobicContact CD1-CZ3 3.51Å; L171-W211 HydrophobicContact CD2-CZ3 4.14Å; L171-W211 HydrophobicContact CG-CE3 4.11Å; L171-W211 HydrophobicContact CG-CZ3 3.73Å; W211-K213 PolarHBondContact O-N 3.36Å; W211-S225 PolarHBondContact NE1-OG 3.22Å; W211-L226 HydrophobicContact CB-CD1 4Å; W211-L226 HydrophobicContact CD2-CB 4.29Å; W211-L226 HydrophobicContact CD2-CD1 3.88Å; W211-L226 HydrophobicContact CD2-CD2 4.49Å; W211-L226 HydrophobicContact CD2-CG 4.45Å; W211-L226 HydrophobicContact CE3-CD1 4.11Å; W211-L226 HydrophobicContact CG-CB 4.19Å; W211-L226 HydrophobicContact CG-CD1 3.86Å; W211-L226 HydrophobicContact CZ2-CD2 4.48Å; W211-N240 HydrophobicContact CZ2-CB 4.25Å; W211-H241 HydrophobicContact CH2-CB 4.04Å; W211-H241 AromaticContact CH2-ND1 3.58Å
212Y86.4Confident72.1Confident41 Ų4171.7 Ų71.716%0.16140%0.396CS..  trans-60.8112.3178.2177.3-111.8000111.3P165 G214 S225 E262 D263 G264P165-Y212 VanDerWaalsContact CG-O 3.27Å; P165-Y212 WeakPolarHBondContact CG-O 3.23Å; Y212-G214 VanDerWaalsContact C-N 3.28Å; Y212-G214 PolarHBondContact O-N 3.3Å; Y212-S225 WeakPolarHBondContact CB-O 3.35Å; Y212-S225 PolarHBondContact N-O 3.44Å; Y212-E262 WeakPolarHBondContact CE2-O 3.3Å; Y212-E262 PolarHBondContact OH-O 3.36Å; Y212-E262 VanDerWaalsContact OH-O 3.04Å; Y212-D263 WeakPolarHBondContact OH-CA 3.22Å; Y212-D263 PolarHBondContact OH-O 3.03Å; Y212-G264 VanDerWaalsContact CE2-N 3.26Å
213K74.8Confident71.9Confident47 Ų4771.8 Ų71.820%0.20438%0.381CS..  trans-67-15-169-65.8-169.9170.6-1670116.1W122 P165 W211 E215W122-K213 PolarHBondContact O-NZ 2.73Å; P165-K213 WeakPolarHBondContact CB-O 3.49Å; W211-K213 PolarHBondContact O-N 3.36Å; K213-E215 HydrophobicContact CB-CG 4.14Å; K213-E215 PolarHBondContact O-N 3.18Å
214G65.1Low71.7Confident27 Ų2767.4 Ų67.428%0.27834%0.343SS..  trans55.227.4173.600000116Y212 N216Y212-G214 VanDerWaalsContact C-N 3.28Å; Y212-G214 PolarHBondContact O-N 3.3Å; G214-N216 CarbonylContact O-C 3.57Å; G214-N216 PolarHBondContact O-N 3.17Å
215E54.9Low71.6Confident98 Ų9867.5 Ų67.546%0.45835%0.345SS..  trans-64.2-12.7-170.7-77.7175.3-170.700114.7S124 K213S124-E215 VanDerWaalsContact CA-OE1 3.23Å; S124-E215 WeakPolarHBondContact CA-OE1 3.32Å; S124-E215 VanDerWaalsContact CB-OE1 3.31Å; S124-E215 WeakPolarHBondContact CB-OE1 3.43Å; K213-E215 HydrophobicContact CB-CG 4.14Å; K213-E215 PolarHBondContact O-N 3.18Å
216N47.6Very low71.6Confident91 Ų9160.3 Ų60.349%0.48732%0.318SS..SBendtrans-95.7121163.6-64.4-25.9000107.4G214 Y218G214-N216 CarbonylContact O-C 3.57Å; G214-N216 PolarHBondContact O-N 3.17Å; N216-Y218 HydrophobicContact CB-CD1 3.72Å; N216-Y218 HydrophobicContact CB-CD2 3.68Å; N216-Y218 HydrophobicContact CB-CE1 3.32Å; N216-Y218 HydrophobicContact CB-CE2 3.26Å; N216-Y218 HydrophobicContact CB-CG 3.95Å; N216-Y218 PolarHBondContact ND2-OH 3.47Å; N216-Y218 WeakPolarHBondContact O-CB 3.2Å; N216-Y218 VanDerWaalsContact O-CD1 3.27Å; N216-Y218 WeakPolarHBondContact O-CD1 3.49Å; N216-Y218 VanDerWaalsContact O-CD2 3.24Å; N216-Y218 WeakPolarHBondContact O-CD2 2.99Å; N216-Y218 PolarHBondContact O-N 3.18Å
217N36.8Very low71.6Confident169 Ų16960 Ų6090%0.90432%0.317SS*.  trans-54.474.2-176.4-80.1-32.5000114.2G219N217-G219 PolarHBondContact O-N 3.35Å
218Y43.2Very low71.7Confident92 Ų9258.3 Ų58.336%0.36131%0.306SS..  trans-102.379.8-168.9-70-15.7000108.4N216 T220 H352N216-Y218 HydrophobicContact CB-CD1 3.72Å; N216-Y218 HydrophobicContact CB-CD2 3.68Å; N216-Y218 HydrophobicContact CB-CE1 3.32Å; N216-Y218 HydrophobicContact CB-CE2 3.26Å; N216-Y218 HydrophobicContact CB-CG 3.95Å; N216-Y218 PolarHBondContact ND2-OH 3.47Å; N216-Y218 WeakPolarHBondContact O-CB 3.2Å; N216-Y218 VanDerWaalsContact O-CD1 3.27Å; N216-Y218 WeakPolarHBondContact O-CD1 3.49Å; N216-Y218 VanDerWaalsContact O-CD2 3.24Å; N216-Y218 WeakPolarHBondContact O-CD2 2.99Å; N216-Y218 PolarHBondContact O-N 3.18Å; Y218-T220 PolarHBondContact O-N 3.33Å; Y218-H352 VanDerWaalsContact CB-CE1 3.48Å; Y218-H352 WeakPolarHBondContact CB-CE1 3.41Å; Y218-H352 WeakPolarHBondContact CB-ND1 3.44Å; Y218-H352 AromaticContact CD1-CD2 3.5Å; Y218-H352 AromaticContact CD1-CE1 2.81Å; Y218-H352 WeakPolarHBondContact CD1-CE1 3.49Å; Y218-H352 AromaticContact CD1-CG 3.79Å; Y218-H352 AromaticContact CD1-ND1 3.34Å; Y218-H352 VanDerWaalsContact CD1-ND1 3.34Å; Y218-H352 WeakPolarHBondContact CD1-ND1 3.45Å; Y218-H352 AromaticContact CD1-NE2 2.89Å; Y218-H352 WeakPolarHBondContact CD1-NE2 3.48Å; Y218-H352 AromaticContact CD2-CE1 3.22Å; Y218-H352 WeakPolarHBondContact CD2-CE1 3.5Å; Y218-H352 AromaticContact CD2-ND1 3.75Å; Y218-H352 AromaticContact CE1-CD2 3.84Å; Y218-H352 AromaticContact CE1-CE1 3.06Å; Y218-H352 WeakPolarHBondContact CE1-CE1 3.5Å; Y218-H352 AromaticContact CE1-NE2 2.86Å; Y218-H352 WeakPolarHBondContact CE1-NE2 3.33Å; Y218-H352 AromaticContact CE2-CE1 3.44Å; Y218-H352 VanDerWaalsContact CE2-CE1 3.44Å; Y218-H352 WeakPolarHBondContact CE2-CE1 3.34Å; Y218-H352 AromaticContact CG-CE1 2.84Å; Y218-H352 AromaticContact CG-CG 3.95Å; Y218-H352 AromaticContact CG-ND1 3.11Å; Y218-H352 AromaticContact CG-NE2 3.51Å; Y218-H352 AromaticContact CZ-CE1 3.35Å; Y218-H352 AromaticContact CZ-NE2 3.49Å
219G38.4Very low71.9Confident78 Ų7857.7 Ų57.780%0.80430%0.302SS*.  trans-65.347.6-165.300000118.6N217N217-G219 PolarHBondContact O-N 3.35Å
220T43.1Very low71.9Confident55 Ų5557.4 Ų57.434%0.33730%0.3SS..  trans-122.895.8173.119.80000111.1Y218 M222Y218-T220 PolarHBondContact O-N 3.33Å; T220-M222 PolarHBondContact O-N 2.97Å
221R51.8Low72Confident234 Ų23457.8 Ų57.888%0.88330%0.303SS*.THydrogen-bonded Turntrans-64.314179.8-82.1-176174.9-174.4-2.4115.9I239R221-I239 VanDerWaalsContact O-CG2 3.24Å; R221-I239 WeakPolarHBondContact O-CG2 3.5Å
222M62.7Low72Confident129 Ų12960.2 Ų60.264%0.63532%0.318SS*.THydrogen-bonded Turntrans-124.32.3-165.1-63.1-88.58900115T220 I239T220-M222 PolarHBondContact O-N 2.97Å; M222-I239 HydrophobicContact CE-CD1 4.4Å
223L72.7Confident72.3Confident67 Ų6758.2 Ų58.235%0.35131%0.311SS..SBendtrans-94.1137176.8-66.5171.9000110.7S225 F289 F354L223-S225 PolarHBondContact O-N 3.18Å; L223-F289 HydrophobicContact CD2-CE1 4.02Å; L223-F289 HydrophobicContact CD2-CE2 4.4Å; L223-F289 HydrophobicContact CD2-CZ 3.48Å; L223-F289 VanDerWaalsContact CD2-CZ 3.48Å; L223-F354 HydrophobicContact CD2-CE1 4.21Å; L223-F354 HydrophobicContact CD2-CZ 3.95Å
224P82.4Confident73.3Confident13 Ų1359.9 Ų59.98%0.08432%0.316CS..  trans-56.5123.8169.3-25.736000110.8L237 M238 I239 V247 P288P224-L237 HydrophobicContact CB-CB 3.91Å; P224-M238 CarbonylContact C-O 3.58Å; P224-M238 WeakPolarHBondContact CA-O 3.48Å; P224-I239 HydrophobicContact CG-CG1 4.48Å; P224-V247 HydrophobicContact CG-CG2 4.25Å; P224-P288 WeakPolarHBondContact CB-O 3.24Å; P224-P288 WeakPolarHBondContact CG-O 3.49Å
225S88.3Confident74.7Confident22 Ų2258.6 Ų58.615%0.15430%0.303CS..  trans-129.9-19.6-171.372.50000113.5W211 Y212 L223 M238 I239 W260W211-S225 PolarHBondContact NE1-OG 3.22Å; Y212-S225 WeakPolarHBondContact CB-O 3.35Å; Y212-S225 PolarHBondContact N-O 3.44Å; L223-S225 PolarHBondContact O-N 3.18Å; S225-M238 PolarHBondContact N-O 3.02Å; S225-I239 PolarHBondContact OG-O 3.35Å; S225-W260 PolarHBondContact O-NE1 3.08Å
226L92.9Very high76.6Confident0 Ų054 Ų540%028%0.281CS..EExtended strand (participates in β ladder)trans-103.4118.9177.8173.361.7000109L171 M192 L209 W211 V228 L237 M238 H241L171-L226 HydrophobicContact CD1-CD1 3.84Å; L171-L226 HydrophobicContact CD1-CD2 3.93Å; M192-L226 HydrophobicContact SD-CD2 3.95Å; L209-L226 HydrophobicContact CD1-CD1 4.12Å; W211-L226 HydrophobicContact CB-CD1 4Å; W211-L226 HydrophobicContact CD2-CB 4.29Å; W211-L226 HydrophobicContact CD2-CD1 3.88Å; W211-L226 HydrophobicContact CD2-CD2 4.49Å; W211-L226 HydrophobicContact CD2-CG 4.45Å; W211-L226 HydrophobicContact CE3-CD1 4.11Å; W211-L226 HydrophobicContact CG-CB 4.19Å; W211-L226 HydrophobicContact CG-CD1 3.86Å; W211-L226 HydrophobicContact CZ2-CD2 4.48Å; L226-V228 HydrophobicContact CG-CG2 4.47Å; L226-L237 CarbonylContact O-C 3.55Å; L226-L237 WeakPolarHBondContact O-CA 3.28Å; L226-M238 HydrophobicContact CB-CB 4.19Å; L226-M238 HydrophobicContact CD2-CB 4.41Å; L226-M238 HydrophobicContact CD2-SD 4.33Å; L226-M238 PolarHBondContact N-O 3.35Å; L226-M238 PolarHBondContact O-N 3.37Å; L226-H241 HydrophobicContact CD2-CB 4.33Å
227A95.1Very high78.8Confident0 Ų049.6 Ų49.60%026%0.258CS..EExtended strand (participates in β ladder)trans-107.1128.4175.300000110.6D210 L237 W260 L267D210-A227 PolarHBondContact N-O 3.13Å; D210-A227 VanDerWaalsContact N-O 3.07Å; D210-A227 PolarHBondContact O-N 2.92Å; A227-L237 HydrophobicContact CB-CD2 3.75Å; A227-W260 HydrophobicContact CB-CZ2 3.99Å; A227-W260 VanDerWaalsContact CB-NE1 3.32Å; A227-L267 HydrophobicContact CB-CD1 4.02Å; A227-L267 HydrophobicContact CB-CD2 3.92Å
228V96.4Very high81.4Confident0 Ų041.6 Ų41.60%022%0.215CC..EExtended strand (participates in β ladder)trans-119.2116.1172.8-174.70000108I179 M192 L209 L226 Y230 C235 Q236I179-V228 HydrophobicContact CD1-CB 4.46Å; I179-V228 HydrophobicContact CD1-CG1 3.51Å; I179-V228 HydrophobicContact CD1-CG2 4.06Å; M192-V228 HydrophobicContact CE-CG2 3.57Å; L209-V228 HydrophobicContact CD1-CG2 3.84Å; L226-V228 HydrophobicContact CG-CG2 4.47Å; V228-Y230 HydrophobicContact CG1-CE2 3.7Å; V228-C235 CarbonylContact O-C 3.56Å; V228-C235 WeakPolarHBondContact O-CA 3.23Å; V228-C235 WeakPolarHBondContact O-CB 3.37Å; V228-Q236 HydrophobicContact CB-CG 3.91Å; V228-Q236 HydrophobicContact CG2-CG 4.28Å; V228-Q236 PolarHBondContact N-O 3.36Å; V228-Q236 PolarHBondContact O-N 3.45Å
229C96.2Very high83.5Confident0 Ų039.3 Ų39.30%021%0.208CC..EExtended strand (participates in β ladder)trans-118.8136.7-179.4-51.60000111.3V207 S208 C235 I255 S258V207-C229 PolarHBondContact N-O 3.15Å; S208-C229 PolarHBondContact N-O 2.93Å; S208-C229 PolarHBondContact O-N 3.03Å; S208-C229 VanDerWaalsContact O-N 3.09Å; S208-C229 VanDerWaalsContact OG-CB 3.24Å; S208-C229 WeakPolarHBondContact OG-CB 3.24Å; C229-C235 HydrophobicContact CB-CB 4.37Å; C229-C235 PolarHBondContact SG-SG 2.9Å; C229-I255 HydrophobicContact CB-CD1 4.03Å; C229-I255 HydrophobicContact CB-CG2 4.37Å; C229-S258 PolarHBondContact SG-OG 3.24Å
230Y96.1Very high85.9Confident0 Ų038.5 Ų38.50%019%0.185CC..EExtended strand (participates in β ladder)trans-108.5151.6177.3-62.8-90.3000111.3G177 T194 C196 L197 V204 R205 I206 V228 V232 G233 R234 I255G177-Y230 WeakPolarHBondContact O-CE1 3.39Å; G177-Y230 PolarHBondContact O-OH 2.7Å; T194-Y230 WeakPolarHBondContact CG2-OH 3.4Å; C196-Y230 VanDerWaalsContact SG-CE2 3.52Å; L197-Y230 HydrophobicContact CD1-CD1 4.16Å; L197-Y230 HydrophobicContact CD1-CD2 4.48Å; L197-Y230 HydrophobicContact CD1-CE1 3.72Å; L197-Y230 HydrophobicContact CD1-CE2 4.08Å; L197-Y230 HydrophobicContact CD2-CD1 4.28Å; L197-Y230 HydrophobicContact CD2-CD2 3.96Å; L197-Y230 HydrophobicContact CD2-CE2 4.31Å; L197-Y230 HydrophobicContact CD2-CG 3.95Å; L197-Y230 HydrophobicContact CG-CD2 4.27Å; L197-Y230 HydrophobicContact CG-CE2 4.11Å; V204-Y230 HydrophobicContact CB-CD1 4.36Å; V204-Y230 HydrophobicContact CG2-CD1 4.23Å; R205-Y230 VanDerWaalsContact O-CA 3.3Å; R205-Y230 WeakPolarHBondContact O-CA 3.29Å; I206-Y230 HydrophobicContact CG1-CD1 4.21Å; I206-Y230 HydrophobicContact CG1-CE1 3.67Å; V228-Y230 HydrophobicContact CG1-CE2 3.7Å; Y230-V232 PolarHBondContact O-N 3.29Å; Y230-V232 VanDerWaalsContact O-N 3.16Å; Y230-G233 PolarHBondContact O-N 3.44Å; Y230-G233 VanDerWaalsContact O-N 3.1Å; Y230-R234 PolarHBondContact N-O 3.48Å; Y230-I255 WeakPolarHBondContact O-CD1 3.38Å
231D94.2Very high88Confident38 Ų3837.2 Ų37.220%0.20318%0.176CC..THydrogen-bonded Turntrans-54.5-34-179.961.5-24.1000113.9R205 V207 G233 Q254 I255R205-D231 HydrophobicContact CB-CB 4.4Å; R205-D231 PolarHBondContact N-OD1 3.41Å; R205-D231 PolarHBondContact O-N 3.4Å; V207-D231 VanDerWaalsContact CG2-CA 3.46Å; V207-D231 HydrophobicContact CG2-CB 3.66Å; V207-D231 VanDerWaalsContact CG2-N 3.33Å; D231-G233 PolarHBondContact O-N 3.08Å; D231-G233 VanDerWaalsContact O-N 3.12Å; D231-Q254 CarbonylContact O-C 3.52Å; D231-Q254 VanDerWaalsContact O-CA 3.3Å; D231-Q254 WeakPolarHBondContact O-CA 3.15Å; D231-Q254 WeakPolarHBondContact O-CG 3.21Å; D231-I255 PolarHBondContact O-N 3.19Å; D231-I255 VanDerWaalsContact O-N 3.07Å
232V93.3Very high89.8Confident63 Ų6332.4 Ų32.438%0.38216%0.163SC..THydrogen-bonded Turntrans-71.86.6178.5-66.80000115.5L197 I200 V204 Y230 R234L197-V232 HydrophobicContact CD2-CG2 4.43Å; I200-V232 HydrophobicContact CD1-CG2 4.18Å; V204-V232 HydrophobicContact CG1-CG1 3.97Å; V204-V232 HydrophobicContact CG1-CG2 3.91Å; Y230-V232 PolarHBondContact O-N 3.29Å; Y230-V232 VanDerWaalsContact O-N 3.16Å; V232-R234 HydrophobicContact CG2-CB 4.37Å; V232-R234 HydrophobicContact CG2-CG 4.01Å
233G92.5Very high91.1Very high0 Ų026.9 Ų26.90%014%0.136CC..SBendtrans86.912.9177.800000114.8Y230 D231 T251 I253Y230-G233 PolarHBondContact O-N 3.44Å; Y230-G233 VanDerWaalsContact O-N 3.1Å; D231-G233 PolarHBondContact O-N 3.08Å; D231-G233 VanDerWaalsContact O-N 3.12Å; G233-T251 VanDerWaalsContact CA-OG1 3.26Å; G233-T251 WeakPolarHBondContact CA-OG1 3.45Å; G233-T251 PolarHBondContact O-N 3Å; G233-T251 PolarHBondContact O-OG1 3.21Å; G233-I253 WeakPolarHBondContact CA-O 2.96Å; G233-I253 PolarHBondContact N-O 2.98Å
234R94.8Very high91.9Very high82 Ų8228.6 Ų28.631%0.30915%0.151SC..EExtended strand (participates in β ladder)trans-99.8133.2177-60-58.8175.2160.9-0.2110.4C196 L197 I200 Y230 V232 L249 N250C196-R234 HydrophobicContact CB-CB 4.24Å; L197-R234 HydrophobicContact CD2-CB 4.29Å; L197-R234 HydrophobicContact CD2-CG 4.48Å; I200-R234 HydrophobicContact CD1-CG 3.43Å; I200-R234 VanDerWaalsContact CD1-CG 3.43Å; Y230-R234 PolarHBondContact N-O 3.48Å; V232-R234 HydrophobicContact CG2-CB 4.37Å; V232-R234 HydrophobicContact CG2-CG 4.01Å; R234-L249 WeakPolarHBondContact CA-O 3.4Å; R234-N250 VanDerWaalsContact NH1-CG 3.34Å; R234-N250 PolarHBondContact NH1-ND2 3.2Å
235C95.1Very high92.2Very high0 Ų034.5 Ų34.50%018%0.182CC..EExtended strand (participates in β ladder)trans-130.1152.8170.7-36.10000110.6C196 V228 C229 L249 I255C196-C235 WeakPolarHBondContact CB-O 3.36Å; V228-C235 CarbonylContact O-C 3.56Å; V228-C235 WeakPolarHBondContact O-CA 3.23Å; V228-C235 WeakPolarHBondContact O-CB 3.37Å; C229-C235 HydrophobicContact CB-CB 4.37Å; C229-C235 PolarHBondContact SG-SG 2.9Å; C235-L249 HydrophobicContact CB-CB 3.98Å; C235-L249 HydrophobicContact CB-CD1 4.35Å; C235-L249 PolarHBondContact N-O 3.41Å; C235-L249 PolarHBondContact O-N 2.94Å; C235-I255 WeakPolarHBondContact SG-CD1 3.32Å
236Q95.3Very high92.3Very high0 Ų034.1 Ų34.10%018%0.179CC..EExtended strand (participates in β ladder)trans-125.7130.9162.959.9-176.450.800109S193 C196 V228 M238 P246 V247 L248S193-Q236 PolarHBondContact O-NE2 3.19Å; C196-Q236 HydrophobicContact CB-CB 4.06Å; V228-Q236 HydrophobicContact CB-CG 3.91Å; V228-Q236 HydrophobicContact CG2-CG 4.28Å; V228-Q236 PolarHBondContact N-O 3.36Å; V228-Q236 PolarHBondContact O-N 3.45Å; Q236-M238 HydrophobicContact CG-SD 4.37Å; Q236-M238 PolarHBondContact NE2-SD 2.97Å; Q236-P246 HydrophobicContact CB-CB 4.26Å; Q236-V247 CarbonylContact C-O 3.48Å; Q236-V247 WeakPolarHBondContact CA-O 3.34Å; Q236-L248 HydrophobicContact CB-CD2 3.87Å
237L93.4Very high92.3Very high0 Ų036 Ų360%019%0.19CC..EExtended strand (participates in β ladder)trans-103.4125.4173.3-45179000108.1P224 L226 A227 P246 V247 L249 W260 L267 P288P224-L237 HydrophobicContact CB-CB 3.91Å; L226-L237 CarbonylContact O-C 3.55Å; L226-L237 WeakPolarHBondContact O-CA 3.28Å; A227-L237 HydrophobicContact CB-CD2 3.75Å; L237-P246 WeakPolarHBondContact O-CA 3.23Å; L237-P246 VanDerWaalsContact O-CB 3.29Å; L237-P246 WeakPolarHBondContact O-CB 3.44Å; L237-V247 HydrophobicContact CB-CB 4.14Å; L237-V247 HydrophobicContact CD1-CG1 4.49Å; L237-V247 PolarHBondContact N-O 3.03Å; L237-V247 PolarHBondContact O-N 3.47Å; L237-L249 HydrophobicContact CD1-CD1 3.81Å; L237-L249 HydrophobicContact CD2-CD1 4.23Å; L237-L249 HydrophobicContact CG-CD1 3.95Å; L237-W260 HydrophobicContact CD1-CH2 4.48Å; L237-W260 HydrophobicContact CD2-CZ2 4.16Å; L237-L267 HydrophobicContact CD2-CD2 3.6Å; L237-P288 WeakPolarHBondContact CD1-O 3.5Å
238M91.6Very high92.2Very high1 Ų140.4 Ų40.41%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-123.9146.2-172.3-66.9172.887.100110.3M192 P224 S225 L226 Q236 N240 D243 P246M192-M238 HydrophobicContact CE-SD 4.2Å; M192-M238 HydrophobicContact CG-CE 4.1Å; M192-M238 HydrophobicContact CG-SD 4.4Å; M192-M238 HydrophobicContact SD-CE 4.15Å; M192-M238 HydrophobicContact SD-SD 3.84Å; P224-M238 CarbonylContact C-O 3.58Å; P224-M238 WeakPolarHBondContact CA-O 3.48Å; S225-M238 PolarHBondContact N-O 3.02Å; L226-M238 HydrophobicContact CB-CB 4.19Å; L226-M238 HydrophobicContact CD2-CB 4.41Å; L226-M238 HydrophobicContact CD2-SD 4.33Å; L226-M238 PolarHBondContact N-O 3.35Å; L226-M238 PolarHBondContact O-N 3.37Å; Q236-M238 HydrophobicContact CG-SD 4.37Å; Q236-M238 PolarHBondContact NE2-SD 2.97Å; M238-N240 VanDerWaalsContact C-N 3.34Å; M238-N240 WeakPolarHBondContact CB-O 3.37Å; M238-N240 WeakPolarHBondContact CE-O 3.4Å; M238-D243 WeakPolarHBondContact CA-OD2 3.29Å; M238-D243 HydrophobicContact CB-CB 3.95Å; M238-D243 HydrophobicContact CE-CB 3.93Å; M238-D243 HydrophobicContact CG-CB 4.25Å; M238-P246 HydrophobicContact CG-CB 3.7Å; M238-P246 HydrophobicContact CG-CG 4.46Å
239I88.1Confident92Very high43 Ų4341.1 Ų41.122%0.22122%0.217CC..SBendtrans-63.1-44.7171.1-62.4171.1000110.1R221 M222 P224 S225 D243R221-I239 VanDerWaalsContact O-CG2 3.24Å; R221-I239 WeakPolarHBondContact O-CG2 3.5Å; M222-I239 HydrophobicContact CE-CD1 4.4Å; P224-I239 HydrophobicContact CG-CG1 4.48Å; S225-I239 PolarHBondContact OG-O 3.35Å; I239-D243 PolarHBondContact N-OD2 3.41Å
240N87.2Confident91.9Very high61 Ų6145.6 Ų45.633%0.32624%0.241SC..SBendtrans-154.2179.917661.643.4000109.7W211 M238 E242 D243W211-N240 HydrophobicContact CZ2-CB 4.25Å; M238-N240 VanDerWaalsContact C-N 3.34Å; M238-N240 WeakPolarHBondContact CB-O 3.37Å; M238-N240 WeakPolarHBondContact CE-O 3.4Å; N240-E242 PolarHBondContact O-N 2.91Å; N240-E242 VanDerWaalsContact O-N 3.14Å; N240-E242 WeakPolarHBondContact OD1-CA 3.43Å; N240-E242 PolarHBondContact OD1-N 3.43Å; N240-D243 WeakPolarHBondContact O-CB 3.47Å; N240-D243 PolarHBondContact O-N 2.87Å; N240-D243 PolarHBondContact OD1-N 3.36Å; N240-D243 VanDerWaalsContact OD1-N 3.16Å
241H88.8Confident91.7Very high29 Ų2946 Ų4613%0.13424%0.244CC..THydrogen-bonded Turntrans-65.6-12-179.168.1-79.9000115.3L171 M192 W211 L226L171-H241 HydrophobicContact CD2-CB 4.12Å; M192-H241 WeakPolarHBondContact CG-O 3.42Å; M192-H241 HydrophobicContact SD-CB 4.1Å; W211-H241 HydrophobicContact CH2-CB 4.04Å; W211-H241 AromaticContact CH2-ND1 3.58Å; L226-H241 HydrophobicContact CD2-CB 4.33Å
242E89.3Confident91.6Very high132 Ų13247 Ų4762%0.61726%0.262SS*.THydrogen-bonded Turntrans-104.97.3179.4-55-172.1143.400112.8N240 P244N240-E242 PolarHBondContact O-N 2.91Å; N240-E242 VanDerWaalsContact O-N 3.14Å; N240-E242 WeakPolarHBondContact OD1-CA 3.43Å; N240-E242 PolarHBondContact OD1-N 3.43Å; E242-P244 VanDerWaalsContact O-CD 3.31Å; E242-P244 WeakPolarHBondContact O-CD 3.42Å
243D88.9Confident91.6Very high14 Ų1444.2 Ų44.28%0.07525%0.245CC..  trans-62.2117-175.4-170.5-2.8000112.2M238 I239 N240 D245M238-D243 WeakPolarHBondContact CA-OD2 3.29Å; M238-D243 HydrophobicContact CB-CB 3.95Å; M238-D243 HydrophobicContact CE-CB 3.93Å; M238-D243 HydrophobicContact CG-CB 4.25Å; I239-D243 PolarHBondContact N-OD2 3.41Å; N240-D243 WeakPolarHBondContact O-CB 3.47Å; N240-D243 PolarHBondContact O-N 2.87Å; N240-D243 PolarHBondContact OD1-N 3.36Å; N240-D243 VanDerWaalsContact OD1-N 3.16Å; D243-D245 PolarHBondContact OD1-N 3.42Å
244P89.6Confident91.7Very high102 Ų10248.8 Ų48.866%0.66227%0.267SS*.SBendtrans-79-17178.433.3-35.4000113.5E242 P246E242-P244 VanDerWaalsContact O-CD 3.31Å; E242-P244 WeakPolarHBondContact O-CD 3.42Å; P244-P246 VanDerWaalsContact C-CD 3.47Å
245D88.8Confident91.7Very high138 Ų13845.1 Ų45.174%0.73825%0.253SS*.SBendtrans-131.165.3-173.3-168.530.3000112.7D243D243-D245 PolarHBondContact OD1-N 3.42Å
246P91.7Very high91.7Very high13 Ų1347.5 Ų47.58%0.08427%0.268CS..PPolyproline II helixtrans-73.8153.9-17925.2-29.6000114.3Y195 Q236 L237 M238 P244 L248Y195-P246 HydrophobicContact CD2-CG 3.39Å; Y195-P246 HydrophobicContact CE2-CG 3.88Å; Y195-P246 HydrophobicContact CG-CG 4.13Å; Q236-P246 HydrophobicContact CB-CB 4.26Å; L237-P246 WeakPolarHBondContact O-CA 3.23Å; L237-P246 VanDerWaalsContact O-CB 3.29Å; L237-P246 WeakPolarHBondContact O-CB 3.44Å; M238-P246 HydrophobicContact CG-CB 3.7Å; M238-P246 HydrophobicContact CG-CG 4.46Å; P244-P246 VanDerWaalsContact C-CD 3.47Å; P246-L248 HydrophobicContact CB-CD2 4.35Å; P246-L248 HydrophobicContact CG-CD2 4Å; P246-L248 PolarHBondContact O-N 3.04Å
247V91.7Very high91.7Very high40 Ų4048.3 Ų48.324%0.24227%0.273CS..EExtended strand (participates in β ladder)trans-74.1116.4169.4178.80000109.5P224 Q236 L237 L249 F289P224-V247 HydrophobicContact CG-CG2 4.25Å; Q236-V247 CarbonylContact C-O 3.48Å; Q236-V247 WeakPolarHBondContact CA-O 3.34Å; L237-V247 HydrophobicContact CB-CB 4.14Å; L237-V247 HydrophobicContact CD1-CG1 4.49Å; L237-V247 PolarHBondContact N-O 3.03Å; L237-V247 PolarHBondContact O-N 3.47Å; V247-L249 HydrophobicContact CG1-CD2 4.44Å; V247-F289 VanDerWaalsContact CG1-O 3.24Å; V247-F289 WeakPolarHBondContact CG1-O 3.35Å
248L94.1Very high91.8Very high92 Ų9248.9 Ų48.948%0.48228%0.277SS..EExtended strand (participates in β ladder)trans-94.6126.9-179.9-50.7-176.8000111C196 Q236 P246C196-L248 HydrophobicContact CB-CD2 3.99Å; Q236-L248 HydrophobicContact CB-CD2 3.87Å; P246-L248 HydrophobicContact CB-CD2 4.35Å; P246-L248 HydrophobicContact CG-CD2 4Å; P246-L248 PolarHBondContact O-N 3.04Å
249L92.5Very high91.9Very high15 Ų1549.6 Ų49.68%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-114.5139.2-179.2-67.2176.7000111.7R234 C235 L237 V247 Y286 G290R234-L249 WeakPolarHBondContact CA-O 3.4Å; C235-L249 HydrophobicContact CB-CB 3.98Å; C235-L249 HydrophobicContact CB-CD1 4.35Å; C235-L249 PolarHBondContact N-O 3.41Å; C235-L249 PolarHBondContact O-N 2.94Å; L237-L249 HydrophobicContact CD1-CD1 3.81Å; L237-L249 HydrophobicContact CD2-CD1 4.23Å; L237-L249 HydrophobicContact CG-CD1 3.95Å; V247-L249 HydrophobicContact CG1-CD2 4.44Å; L249-Y286 HydrophobicContact CD1-CD1 4.24Å; L249-Y286 HydrophobicContact CD1-CG 4.28Å; L249-Y286 HydrophobicContact CD2-CD1 4.19Å; L249-Y286 HydrophobicContact CD2-CE1 4.25Å; L249-G290 WeakPolarHBondContact CD2-O 3.29Å
250N93.3Very high92Very high95 Ų9548.2 Ų48.251%0.50827%0.274SS..EExtended strand (participates in β ladder)trans-120.2106.7165.8-1759.5000108.5R234R234-N250 VanDerWaalsContact NH1-CG 3.34Å; R234-N250 PolarHBondContact NH1-ND2 3.2Å
251T92.5Very high92Very high9 Ų945.5 Ų45.56%0.05526%0.26CS..  trans-84.7-19.4-171.762.80000112.9G233 I253 I255 V269 Q284 Y286G233-T251 VanDerWaalsContact CA-OG1 3.26Å; G233-T251 WeakPolarHBondContact CA-OG1 3.45Å; G233-T251 PolarHBondContact O-N 3Å; G233-T251 PolarHBondContact O-OG1 3.21Å; T251-I253 PolarHBondContact O-N 3.08Å; T251-I253 WeakPolarHBondContact OG1-CG1 3.23Å; T251-I255 HydrophobicContact CG2-CD1 4.22Å; T251-V269 HydrophobicContact CG2-CG1 4.24Å; T251-Q284 VanDerWaalsContact CB-OE1 3.29Å; T251-Q284 PolarHBondContact O-NE2 3.44Å; T251-Q284 PolarHBondContact O-OE1 3.17Å; T251-Y286 HydrophobicContact CG2-CE2 4.09Å
252G90.8Very high91.6Very high57 Ų5746.7 Ų46.759%0.58827%0.265SS*.SBendtrans68.312.4-176.500000114.2
253I93.3Very high90.9Very high5 Ų544.2 Ų44.23%0.02626%0.256CS..SBendtrans-123.7151.6179.262168.6000110.2G233 T251 I255 V269 Q273 V282 Q284G233-I253 WeakPolarHBondContact CA-O 2.96Å; G233-I253 PolarHBondContact N-O 2.98Å; T251-I253 PolarHBondContact O-N 3.08Å; T251-I253 WeakPolarHBondContact OG1-CG1 3.23Å; I253-I255 HydrophobicContact CG1-CG1 4.2Å; I253-I255 PolarHBondContact O-N 2.79Å; I253-V269 HydrophobicContact CD1-CG1 4.36Å; I253-Q273 HydrophobicContact CG2-CB 3.92Å; I253-Q273 HydrophobicContact CG2-CG 4.15Å; I253-V282 HydrophobicContact CB-CG2 4.44Å; I253-V282 HydrophobicContact CD1-CG2 4.09Å; I253-V282 HydrophobicContact CG2-CG2 3.68Å; I253-Q284 HydrophobicContact CD1-CG 4.44Å
254Q94.2Very high90.4Very high97 Ų9744.1 Ų44.145%0.45326%0.259SS..EExtended strand (participates in β ladder)trans-77.7107168.4-172.3177.41.300108.5D231 G271 T272 M274D231-Q254 CarbonylContact O-C 3.52Å; D231-Q254 VanDerWaalsContact O-CA 3.3Å; D231-Q254 WeakPolarHBondContact O-CA 3.15Å; D231-Q254 WeakPolarHBondContact O-CG 3.21Å; Q254-G271 CarbonylContact O-C 3.59Å; Q254-G271 WeakPolarHBondContact O-CA 3.5Å; Q254-T272 PolarHBondContact N-O 3.17Å; Q254-T272 PolarHBondContact O-N 3.24Å; Q254-M274 HydrophobicContact CB-CE 4.42Å
255I95.7Very high89.8Confident5 Ų541.6 Ų41.63%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-73.1134.2-170.7-56.5177.1000109.5V207 C229 Y230 D231 C235 T251 I253 V269V207-I255 HydrophobicContact CB-CG2 4.36Å; V207-I255 HydrophobicContact CG1-CG2 3.88Å; V207-I255 WeakPolarHBondContact CG2-O 3.38Å; C229-I255 HydrophobicContact CB-CD1 4.03Å; C229-I255 HydrophobicContact CB-CG2 4.37Å; Y230-I255 WeakPolarHBondContact O-CD1 3.38Å; D231-I255 PolarHBondContact O-N 3.19Å; D231-I255 VanDerWaalsContact O-N 3.07Å; C235-I255 WeakPolarHBondContact SG-CD1 3.32Å; T251-I255 HydrophobicContact CG2-CD1 4.22Å; I253-I255 HydrophobicContact CG1-CG1 4.2Å; I253-I255 PolarHBondContact O-N 2.79Å; I255-V269 HydrophobicContact CB-CG1 4.44Å; I255-V269 HydrophobicContact CD1-CG1 3.62Å; I255-V269 HydrophobicContact CG1-CG1 3.8Å; I255-V269 HydrophobicContact CG2-CG1 3.78Å
256T95.3Very high89.7Confident50 Ų5035.3 Ų35.331%0.30721%0.21SC..EExtended strand (participates in β ladder)trans-111.1-33.2175.358.50000112.6V207 A270 L303V207-T256 WeakPolarHBondContact CG1-O 3.24Å; T256-A270 PolarHBondContact N-O 2.86Å; T256-A270 PolarHBondContact OG1-O 2.91Å; T256-L303 WeakPolarHBondContact OG1-CD2 3.4Å
257C94.9Very high89.8Confident16 Ų1634.7 Ų34.711%0.10821%0.206CC..EExtended strand (participates in β ladder)trans-158.6157.1175.645.80000111A270 A305 C306C257-A270 PolarHBondContact N-O 2.92Å; C257-A270 PolarHBondContact O-N 2.74Å; C257-A270 VanDerWaalsContact O-O 3.13Å; C257-A305 VanDerWaalsContact SG-C 3.59Å; C257-C306 PolarHBondContact SG-N 3.35Å
258S95.4Very high89.9Confident13 Ų1332.8 Ų32.89%0.09119%0.194CC..EExtended strand (participates in β ladder)trans-144.6153.8166.877.90000111.1S208 C229 A268S208-S258 VanDerWaalsContact CB-OG 3.28Å; S208-S258 WeakPolarHBondContact CB-OG 3.43Å; S208-S258 PolarHBondContact OG-OG 3.49Å; C229-S258 PolarHBondContact SG-OG 3.24Å; S258-A268 CarbonylContact C-O 3.53Å; S258-A268 WeakPolarHBondContact CA-O 3.36Å; S258-A268 WeakPolarHBondContact CB-O 3.35Å
259C93.8Very high90.1Very high16 Ų1628.4 Ų28.411%0.10817%0.171CC..EExtended strand (participates in β ladder)trans-152.5139.1172.255.30000111.9D210 A268 C306 W308D210-C259 WeakPolarHBondContact OD2-CA 3.37Å; C259-A268 PolarHBondContact N-O 3.49Å; C259-A268 PolarHBondContact O-N 2.9Å; C259-C306 PolarHBondContact SG-O 2.97Å; C259-W308 PolarHBondContact O-NE1 3.45Å; C259-W308 VanDerWaalsContact O-NE1 3.09Å; C259-W308 PolarHBondContact SG-NE1 3.47Å
260W90.9Very high90.3Very high14 Ų1427.7 Ų27.75%0.05317%0.168CC..EExtended strand (participates in β ladder)trans-68.2144165.4-73.4107.9000110.5D210 S225 A227 L237 L267 P288 W308D210-W260 PolarHBondContact O-NE1 2.93Å; D210-W260 PolarHBondContact OD2-N 3.13Å; S225-W260 PolarHBondContact O-NE1 3.08Å; A227-W260 HydrophobicContact CB-CZ2 3.99Å; A227-W260 VanDerWaalsContact CB-NE1 3.32Å; L237-W260 HydrophobicContact CD1-CH2 4.48Å; L237-W260 HydrophobicContact CD2-CZ2 4.16Å; W260-L267 HydrophobicContact CD2-CB 4.2Å; W260-L267 HydrophobicContact CD2-CD1 3.89Å; W260-L267 HydrophobicContact CE3-CB 3.88Å; W260-L267 HydrophobicContact CE3-CD1 4.42Å; W260-L267 HydrophobicContact CG-CD1 4.04Å; W260-L267 HydrophobicContact CH2-CB 4.04Å; W260-L267 HydrophobicContact CZ2-CB 4.36Å; W260-L267 HydrophobicContact CZ2-CD1 4.47Å; W260-L267 HydrophobicContact CZ3-CB 3.79Å; W260-P288 HydrophobicContact CH2-CB 4.23Å; W260-P288 HydrophobicContact CH2-CG 4.3Å; W260-P288 HydrophobicContact CZ3-CB 4.46Å; W260-P288 HydrophobicContact CZ3-CG 4.03Å; W260-W308 VanDerWaalsContact C-CD1 3.48Å
261N85.9Confident90.4Very high4 Ų423.2 Ų23.22%0.02114%0.143CC..  trans-73170.1164.870.6-17000111.1D263 G264 S265 M266 W308N261-D263 VanDerWaalsContact C-N 3.33Å; N261-D263 PolarHBondContact ND2-OD1 3.46Å; N261-D263 PolarHBondContact O-N 3.44Å; N261-D263 PolarHBondContact OD1-OD1 3.41Å; N261-D263 VanDerWaalsContact OD1-OD1 3.04Å; N261-G264 PolarHBondContact O-N 3.06Å; N261-G264 WeakPolarHBondContact OD1-CA 3.41Å; N261-G264 PolarHBondContact OD1-N 3.03Å; N261-S265 PolarHBondContact ND2-OG 3.46Å; N261-S265 PolarHBondContact OD1-N 3.45Å; N261-M266 PolarHBondContact N-O 3.4Å; N261-M266 PolarHBondContact OD1-N 3.18Å; N261-M266 PolarHBondContact OD1-O 3.25Å; N261-W308 HydrophobicContact CB-CD2 3.74Å; N261-W308 HydrophobicContact CB-CE3 4.16Å; N261-W308 HydrophobicContact CB-CG 3.96Å; N261-W308 HydrophobicContact CB-CZ2 4.23Å
262E80.7Confident90.4Very high54 Ų5423.8 Ų23.825%0.25215%0.147SC..THydrogen-bonded Turntrans-69.5-23.1-170.5-172.9-165.6-146.100115K24 Y212 G310 N311 G312K24-E262 HydrophobicContact CD-CG 4.38Å; Y212-E262 WeakPolarHBondContact CE2-O 3.3Å; Y212-E262 PolarHBondContact OH-O 3.36Å; Y212-E262 VanDerWaalsContact OH-O 3.04Å; E262-G310 VanDerWaalsContact CD-CA 3.42Å; E262-G310 WeakPolarHBondContact OE1-CA 3.05Å; E262-G310 VanDerWaalsContact OE2-CA 3.26Å; E262-G310 WeakPolarHBondContact OE2-CA 3.29Å; E262-N311 PolarHBondContact OE1-N 3.46Å; E262-N311 VanDerWaalsContact OE2-CA 3.25Å; E262-N311 WeakPolarHBondContact OE2-CA 3.26Å; E262-N311 PolarHBondContact OE2-N 3.49Å; E262-G312 PolarHBondContact OE2-N 2.95Å
263D74.4Confident90.4Very high80 Ų8024.9 Ų24.943%0.42814%0.137SC..THydrogen-bonded Turntrans-96.5-1.7176.169.2-4.8000113Y212 N261 S265Y212-D263 WeakPolarHBondContact OH-CA 3.22Å; Y212-D263 PolarHBondContact OH-O 3.03Å; N261-D263 VanDerWaalsContact C-N 3.33Å; N261-D263 PolarHBondContact ND2-OD1 3.46Å; N261-D263 PolarHBondContact O-N 3.44Å; N261-D263 PolarHBondContact OD1-OD1 3.41Å; N261-D263 VanDerWaalsContact OD1-OD1 3.04Å; D263-S265 PolarHBondContact O-N 3.5Å; D263-S265 VanDerWaalsContact OD1-CB 3.26Å; D263-S265 WeakPolarHBondContact OD1-CB 3.4Å; D263-S265 PolarHBondContact OD1-N 2.99Å; D263-S265 PolarHBondContact OD1-OG 3.26Å; D263-S265 PolarHBondContact OD2-OG 3.08Å
264G79.1Confident89.9Confident12 Ų1229.7 Ų29.712%0.12416%0.16CC..SBendtrans69.411.5-177.900000113.9Y212 N261 P288Y212-G264 VanDerWaalsContact CE2-N 3.26Å; N261-G264 PolarHBondContact O-N 3.06Å; N261-G264 WeakPolarHBondContact OD1-CA 3.41Å; N261-G264 PolarHBondContact OD1-N 3.03Å; G264-P288 VanDerWaalsContact O-CG 3.23Å; G264-P288 WeakPolarHBondContact O-CG 3.32Å
265S78Confident88.9Confident48 Ų4827.7 Ų27.734%0.33616%0.157SC..SBendtrans-80-16-179.568.50000113.8N261 D263 P288N261-S265 PolarHBondContact ND2-OG 3.46Å; N261-S265 PolarHBondContact OD1-N 3.45Å; D263-S265 PolarHBondContact O-N 3.5Å; D263-S265 VanDerWaalsContact OD1-CB 3.26Å; D263-S265 WeakPolarHBondContact OD1-CB 3.4Å; D263-S265 PolarHBondContact OD1-N 2.99Å; D263-S265 PolarHBondContact OD1-OG 3.26Å; D263-S265 PolarHBondContact OD2-OG 3.08Å; S265-P288 WeakPolarHBondContact O-CD 3.2Å
266M86.7Confident87.7Confident7 Ų732.7 Ų32.73%0.03420%0.199CC..  trans-147.3139.6-179.4-71-176-75.800113.5M1 N261 Y286 L293 W308 L314 L329M1-M266 HydrophobicContact CE-CE 4.14Å; M1-M266 HydrophobicContact CE-SD 3.27Å; M1-M266 WeakPolarHBondContact CE-SD 3.43Å; M1-M266 HydrophobicContact SD-SD 3.67Å; M1-M266 VanDerWaalsContact SD-SD 3.67Å; N261-M266 PolarHBondContact N-O 3.4Å; N261-M266 PolarHBondContact OD1-N 3.18Å; N261-M266 PolarHBondContact OD1-O 3.25Å; M266-Y286 CarbonylContact C-O 3.57Å; M266-Y286 VanDerWaalsContact CA-O 3.28Å; M266-Y286 WeakPolarHBondContact CA-O 3.37Å; M266-L293 HydrophobicContact CG-CD1 3.68Å; M266-L293 HydrophobicContact SD-CD1 3.88Å; M266-W308 HydrophobicContact CE-CH2 4.41Å; M266-L314 HydrophobicContact CE-CD2 3.36Å; M266-L329 HydrophobicContact CE-CD2 4.41Å; M266-L329 HydrophobicContact SD-CD2 4.18Å
267L92Very high86.5Confident0 Ų037.6 Ų37.60%022%0.224CC..EExtended strand (participates in β ladder)trans-104.1122.2167.8-17868.2000109.4A227 L237 W260 V269 F285 Y286A227-L267 HydrophobicContact CB-CD1 4.02Å; A227-L267 HydrophobicContact CB-CD2 3.92Å; L237-L267 HydrophobicContact CD2-CD2 3.6Å; W260-L267 HydrophobicContact CD2-CB 4.2Å; W260-L267 HydrophobicContact CD2-CD1 3.89Å; W260-L267 HydrophobicContact CE3-CB 3.88Å; W260-L267 HydrophobicContact CE3-CD1 4.42Å; W260-L267 HydrophobicContact CG-CD1 4.04Å; W260-L267 HydrophobicContact CH2-CB 4.04Å; W260-L267 HydrophobicContact CZ2-CB 4.36Å; W260-L267 HydrophobicContact CZ2-CD1 4.47Å; W260-L267 HydrophobicContact CZ3-CB 3.79Å; L267-V269 HydrophobicContact CD2-CG2 3.78Å; L267-V269 HydrophobicContact CG-CG2 3.87Å; L267-F285 WeakPolarHBondContact O-CA 3.2Å; L267-Y286 PolarHBondContact N-O 2.71Å; L267-Y286 PolarHBondContact O-N 3.46Å
268A95.3Very high85.8Confident0 Ų046.2 Ų46.20%025%0.254CS..EExtended strand (participates in β ladder)trans-87.8120.9167.100000109.1S258 C259 V283 F285 W308 L316S258-A268 CarbonylContact C-O 3.53Å; S258-A268 WeakPolarHBondContact CA-O 3.36Å; S258-A268 WeakPolarHBondContact CB-O 3.35Å; C259-A268 PolarHBondContact N-O 3.49Å; C259-A268 PolarHBondContact O-N 2.9Å; A268-V283 HydrophobicContact CB-CG1 4.12Å; A268-F285 HydrophobicContact CB-CD1 3.99Å; A268-F285 HydrophobicContact CB-CE1 3.88Å; A268-W308 HydrophobicContact CB-CZ2 3.78Å; A268-L316 HydrophobicContact CB-CD1 4.35Å; A268-L316 HydrophobicContact CB-CD2 4.49Å
269V96.7Very high85.3Confident0 Ų050.2 Ų50.20%027%0.274CS..EExtended strand (participates in β ladder)trans-114114.7173.3-173.10000108.4T251 I253 I255 L267 Q284 Y286T251-V269 HydrophobicContact CG2-CG1 4.24Å; I253-V269 HydrophobicContact CD1-CG1 4.36Å; I255-V269 HydrophobicContact CB-CG1 4.44Å; I255-V269 HydrophobicContact CD1-CG1 3.62Å; I255-V269 HydrophobicContact CG1-CG1 3.8Å; I255-V269 HydrophobicContact CG2-CG1 3.78Å; L267-V269 HydrophobicContact CD2-CG2 3.78Å; L267-V269 HydrophobicContact CG-CG2 3.87Å; V269-Q284 PolarHBondContact N-O 3.31Å; V269-Q284 PolarHBondContact O-N 3.05Å; V269-Y286 HydrophobicContact CB-CD2 4.45Å; V269-Y286 HydrophobicContact CB-CE2 4.36Å; V269-Y286 HydrophobicContact CG2-CD2 3.97Å; V269-Y286 HydrophobicContact CG2-CE2 4.24Å
270A96.9Very high85.1Confident0 Ų052.5 Ų52.50%029%0.285CS..EExtended strand (participates in β ladder)trans-114.5140.6-171.800000110T256 C257 V282 V283 L303 C306T256-A270 PolarHBondContact N-O 2.86Å; T256-A270 PolarHBondContact OG1-O 2.91Å; C257-A270 PolarHBondContact N-O 2.92Å; C257-A270 PolarHBondContact O-N 2.74Å; C257-A270 VanDerWaalsContact O-O 3.13Å; A270-V282 WeakPolarHBondContact CA-O 3.46Å; A270-V283 HydrophobicContact CB-CB 4.45Å; A270-V283 HydrophobicContact CB-CG1 4.43Å; A270-V283 HydrophobicContact CB-CG2 3.75Å; A270-L303 HydrophobicContact CB-CD2 3.73Å; A270-C306 HydrophobicContact CB-CB 4.29Å
271G95.2Very high85.2Confident0 Ų051.9 Ų51.90%028%0.283CS..EExtended strand (participates in β ladder)trans-177.9-166.9-175.200000113.8Q254 N281 V282Q254-G271 CarbonylContact O-C 3.59Å; Q254-G271 WeakPolarHBondContact O-CA 3.5Å; G271-N281 WeakPolarHBondContact O-CA 3.26Å; G271-V282 PolarHBondContact N-O 3.27Å; G271-V282 PolarHBondContact O-N 3.47Å
272T94.4Very high85.6Confident21 Ų2151.7 Ų51.713%0.12928%0.282CS..EExtended strand (participates in β ladder)trans-111.2122-179.8-55.70000109.9Q254 M274 N279 I280 N281Q254-T272 PolarHBondContact N-O 3.17Å; Q254-T272 PolarHBondContact O-N 3.24Å; T272-M274 HydrophobicContact CG2-CE 4.36Å; T272-N279 HydrophobicContact CG2-CB 3.63Å; T272-I280 WeakPolarHBondContact CA-O 3.13Å; T272-N281 PolarHBondContact OG1-OD1 2.81Å
273Q90.1Very high86.3Confident81 Ų8149.1 Ų49.138%0.37927%0.27SS..EExtended strand (participates in β ladder)trans-85.5119.7170.7-165.7172.212.600108.9I253 S275 I280 V282I253-Q273 HydrophobicContact CG2-CB 3.92Å; I253-Q273 HydrophobicContact CG2-CG 4.15Å; Q273-S275 PolarHBondContact O-N 3.46Å; Q273-I280 PolarHBondContact N-O 3.26Å; Q273-I280 PolarHBondContact O-N 3.49Å; Q273-I280 VanDerWaalsContact O-N 3.12Å; Q273-V282 HydrophobicContact CB-CG1 4.27Å; Q273-V282 HydrophobicContact CB-CG2 4.23Å
274M82.3Confident87.3Confident105 Ų10546 Ų4652%0.51725%0.252SS..  trans-79.4116.5176.8-61.5-66.6173.400108.5Q254 T272 N279Q254-M274 HydrophobicContact CB-CE 4.42Å; T272-M274 HydrophobicContact CG2-CE 4.36Å; M274-N279 PolarHBondContact SD-ND2 3Å; M274-N279 PolarHBondContact SD-OD1 3.3Å
275S72.9Confident87.9Confident55 Ų5545.4 Ų45.439%0.38525%0.246SC..  trans-117.7158.9169.584.30000109.5Q273 D277 R278Q273-S275 PolarHBondContact O-N 3.46Å; S275-D277 PolarHBondContact O-N 2.7Å; S275-D277 VanDerWaalsContact O-N 3.16Å; S275-R278 PolarHBondContact OG-N 2.89Å; S275-R278 PolarHBondContact OG-O 3.08Å
276A70.3Confident88.6Confident111 Ų11143.8 Ų43.892%0.91723%0.233SC*.SBendtrans-57.7-31-17700000113.2
277D70.4Confident88.5Confident152 Ų15244.8 Ų44.881%0.81324%0.239SC*.SBendtrans-96.7-46.1-174.3-66.7-29.8000112.9S275S275-D277 PolarHBondContact O-N 2.7Å; S275-D277 VanDerWaalsContact O-N 3.16Å
278R80.4Confident88.1Confident198 Ų19845.4 Ų45.475%0.74724%0.243SC*.  trans-152.3139.9-174-64.7-173.4-178.2175.61.7112.2S275 I280S275-R278 PolarHBondContact OG-N 2.89Å; S275-R278 PolarHBondContact OG-O 3.08Å; R278-I280 PolarHBondContact O-N 3.13Å
279N84.5Confident87.6Confident96 Ų9649.9 Ų49.951%0.51326%0.262SS..  trans-73.6127.1169.8-70-0.5000109.7T272 M274T272-N279 HydrophobicContact CG2-CB 3.63Å; M274-N279 PolarHBondContact SD-ND2 3Å; M274-N279 PolarHBondContact SD-OD1 3.3Å
280I89.3Confident87Confident65 Ų6550.5 Ų50.533%0.33327%0.268SS..EExtended strand (participates in β ladder)trans-116.4129.1-177.6-57.1171.1000108.3T272 Q273 R278 V282 L297T272-I280 WeakPolarHBondContact CA-O 3.13Å; Q273-I280 PolarHBondContact N-O 3.26Å; Q273-I280 PolarHBondContact O-N 3.49Å; Q273-I280 VanDerWaalsContact O-N 3.12Å; R278-I280 PolarHBondContact O-N 3.13Å; I280-V282 HydrophobicContact CG2-CG1 4.05Å; I280-L297 HydrophobicContact CG2-CD2 4.07Å
281N94Very high86.4Confident1 Ų155.1 Ų55.11%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-77.5133.7173.3-68.9-44000109.2G271 T272 L298 G300 K301 L303G271-N281 WeakPolarHBondContact O-CA 3.26Å; T272-N281 PolarHBondContact OG1-OD1 2.81Å; N281-L298 HydrophobicContact CB-CB 3.93Å; N281-L298 PolarHBondContact O-N 3.45Å; N281-G300 PolarHBondContact ND2-O 2.98Å; N281-K301 VanDerWaalsContact ND2-C 3.3Å; N281-K301 PolarHBondContact ND2-O 3.4Å; N281-L303 HydrophobicContact CB-CB 4.27Å
282V94.1Very high86.2Confident0 Ų059.6 Ų59.60%031%0.314CS..EExtended strand (participates in β ladder)trans-140.2153.5-176.2-56.50000111.2I253 A270 G271 Q273 I280 T295 L296 L297I253-V282 HydrophobicContact CB-CG2 4.44Å; I253-V282 HydrophobicContact CD1-CG2 4.09Å; I253-V282 HydrophobicContact CG2-CG2 3.68Å; A270-V282 WeakPolarHBondContact CA-O 3.46Å; G271-V282 PolarHBondContact N-O 3.27Å; G271-V282 PolarHBondContact O-N 3.47Å; Q273-V282 HydrophobicContact CB-CG1 4.27Å; Q273-V282 HydrophobicContact CB-CG2 4.23Å; I280-V282 HydrophobicContact CG2-CG1 4.05Å; V282-T295 HydrophobicContact CB-CG2 3.99Å; V282-T295 HydrophobicContact CG1-CG2 4.33Å; V282-L296 CarbonylContact C-O 3.52Å; V282-L296 VanDerWaalsContact CA-O 3.3Å; V282-L296 WeakPolarHBondContact CA-O 3.44Å; V282-L297 HydrophobicContact CG1-CD2 3.46Å; V282-L297 VanDerWaalsContact CG1-CD2 3.46Å
283V95Very high85.7Confident0 Ų061.1 Ų61.10%032%0.321CS..EExtended strand (participates in β ladder)trans-122.1119.7167.7-179.70000107.6A268 A270 F285 T295 L296 L298 L316 L318A268-V283 HydrophobicContact CB-CG1 4.12Å; A270-V283 HydrophobicContact CB-CB 4.45Å; A270-V283 HydrophobicContact CB-CG1 4.43Å; A270-V283 HydrophobicContact CB-CG2 3.75Å; V283-F285 HydrophobicContact CB-CZ 4.28Å; V283-F285 HydrophobicContact CG1-CD1 4.31Å; V283-F285 HydrophobicContact CG1-CE1 3.66Å; V283-F285 HydrophobicContact CG1-CE2 4.06Å; V283-F285 HydrophobicContact CG1-CZ 3.53Å; V283-T295 CarbonylContact O-C 3.59Å; V283-T295 WeakPolarHBondContact O-CA 3.26Å; V283-L296 PolarHBondContact N-O 2.91Å; V283-L296 PolarHBondContact O-N 3.07Å; V283-L298 HydrophobicContact CG2-CD1 3.62Å; V283-L298 HydrophobicContact CG2-CG 4.27Å; V283-L316 HydrophobicContact CG1-CD2 4.08Å; V283-L318 HydrophobicContact CG2-CD1 4.02Å; V283-L318 HydrophobicContact CG2-CD2 3.56Å; V283-L318 HydrophobicContact CG2-CG 4.43Å
284Q94.8Very high85.6Confident14 Ų1458.5 Ų58.57%0.06531%0.31CS..EExtended strand (participates in β ladder)trans-100.3135.2174-66.7175.7-17.300109.1T251 I253 V269 Y286 T295T251-Q284 VanDerWaalsContact CB-OE1 3.29Å; T251-Q284 PolarHBondContact O-NE2 3.44Å; T251-Q284 PolarHBondContact O-OE1 3.17Å; I253-Q284 HydrophobicContact CD1-CG 4.44Å; V269-Q284 PolarHBondContact N-O 3.31Å; V269-Q284 PolarHBondContact O-N 3.05Å; Q284-Y286 HydrophobicContact CB-CD2 4.32Å; Q284-Y286 HydrophobicContact CB-CE2 3.56Å; Q284-Y286 PolarHBondContact OE1-OH 2.92Å; Q284-T295 HydrophobicContact CG-CG2 4.05Å
285F93.3Very high86Confident0 Ų055.7 Ų55.70%030%0.299CS..EExtended strand (participates in β ladder)trans-106.2131.3177.9-58.6-76.2000109.8L267 A268 V283 L293 N294 L296 W308 L316 L329L267-F285 WeakPolarHBondContact O-CA 3.2Å; A268-F285 HydrophobicContact CB-CD1 3.99Å; A268-F285 HydrophobicContact CB-CE1 3.88Å; V283-F285 HydrophobicContact CB-CZ 4.28Å; V283-F285 HydrophobicContact CG1-CD1 4.31Å; V283-F285 HydrophobicContact CG1-CE1 3.66Å; V283-F285 HydrophobicContact CG1-CE2 4.06Å; V283-F285 HydrophobicContact CG1-CZ 3.53Å; F285-L293 HydrophobicContact CB-CB 4.24Å; F285-L293 WeakPolarHBondContact O-CB 3.45Å; F285-L293 PolarHBondContact O-N 3.49Å; F285-N294 HydrophobicContact CD2-CB 4.23Å; F285-N294 PolarHBondContact N-O 2.92Å; F285-L296 HydrophobicContact CE2-CB 4.18Å; F285-W308 HydrophobicContact CD1-CH2 4.11Å; F285-W308 AromaticContact CD1-CZ2 3.98Å; F285-W308 HydrophobicContact CD1-CZ2 3.98Å; F285-W308 AromaticContact CE1-CH2 3.81Å; F285-W308 HydrophobicContact CE1-CH2 3.81Å; F285-W308 AromaticContact CE1-CZ2 3.82Å; F285-W308 HydrophobicContact CE1-CZ2 3.82Å; F285-L316 HydrophobicContact CE1-CD2 4.1Å; F285-L316 HydrophobicContact CZ-CD2 4.17Å; F285-L329 HydrophobicContact CD1-CD2 3.69Å; F285-L329 HydrophobicContact CD2-CD2 4.01Å; F285-L329 HydrophobicContact CE1-CD1 4.07Å; F285-L329 HydrophobicContact CE1-CD2 3.64Å; F285-L329 HydrophobicContact CE1-CG 4.31Å; F285-L329 HydrophobicContact CE2-CD2 3.95Å; F285-L329 HydrophobicContact CE2-CG 4.33Å; F285-L329 HydrophobicContact CG-CD2 3.87Å; F285-L329 HydrophobicContact CZ-CD1 3.89Å; F285-L329 HydrophobicContact CZ-CD2 3.77Å; F285-L329 HydrophobicContact CZ-CG 4.06Å
286Y91.5Very high86.9Confident13 Ų1353.8 Ų53.85%0.05128%0.284CS..EExtended strand (participates in β ladder)trans-124.3147.5179.4-67.5-89.2000110.6L249 T251 M266 L267 V269 Q284 N291 H292L249-Y286 HydrophobicContact CD1-CD1 4.24Å; L249-Y286 HydrophobicContact CD1-CG 4.28Å; L249-Y286 HydrophobicContact CD2-CD1 4.19Å; L249-Y286 HydrophobicContact CD2-CE1 4.25Å; T251-Y286 HydrophobicContact CG2-CE2 4.09Å; M266-Y286 CarbonylContact C-O 3.57Å; M266-Y286 VanDerWaalsContact CA-O 3.28Å; M266-Y286 WeakPolarHBondContact CA-O 3.37Å; L267-Y286 PolarHBondContact N-O 2.71Å; L267-Y286 PolarHBondContact O-N 3.46Å; V269-Y286 HydrophobicContact CB-CD2 4.45Å; V269-Y286 HydrophobicContact CB-CE2 4.36Å; V269-Y286 HydrophobicContact CG2-CD2 3.97Å; V269-Y286 HydrophobicContact CG2-CE2 4.24Å; Q284-Y286 HydrophobicContact CB-CD2 4.32Å; Q284-Y286 HydrophobicContact CB-CE2 3.56Å; Q284-Y286 PolarHBondContact OE1-OH 2.92Å; Y286-N291 VanDerWaalsContact CA-O 3.32Å; Y286-N291 WeakPolarHBondContact CA-O 3.27Å; Y286-H292 HydrophobicContact CD1-CB 4.12Å; Y286-H292 HydrophobicContact CE1-CB 3.73Å; Y286-H292 AromaticContact CZ-CD2 3.93Å
287N85.2Confident87.8Confident29 Ų2953.3 Ų53.316%0.15527%0.265CS..  trans-80.5171.9165.3763.1000110.7F289 G290 N291 L293N287-F289 PolarHBondContact O-N 3.49Å; N287-F289 WeakPolarHBondContact OD1-CA 3.43Å; N287-F289 PolarHBondContact OD1-N 3.42Å; N287-G290 PolarHBondContact O-N 3.44Å; N287-G290 PolarHBondContact OD1-N 3.17Å; N287-G290 VanDerWaalsContact OD1-N 3.11Å; N287-N291 PolarHBondContact N-O 3.49Å; N287-N291 PolarHBondContact ND2-ND2 3.07Å; N287-N291 WeakPolarHBondContact OD1-CB 3.42Å; N287-N291 PolarHBondContact OD1-N 3.14Å; N287-L293 HydrophobicContact CB-CD1 4.21Å; N287-L293 HydrophobicContact CB-CD2 4.27Å; N287-L293 HydrophobicContact CB-CG 4.46Å
288P83.7Confident88.8Confident13 Ų1346.5 Ų46.58%0.08423%0.229CC..THydrogen-bonded Turntrans-60.9-17.9179.4-27.737.1000115.6P224 L237 W260 G264 S265 G290P224-P288 WeakPolarHBondContact CB-O 3.24Å; P224-P288 WeakPolarHBondContact CG-O 3.49Å; L237-P288 WeakPolarHBondContact CD1-O 3.5Å; W260-P288 HydrophobicContact CH2-CB 4.23Å; W260-P288 HydrophobicContact CH2-CG 4.3Å; W260-P288 HydrophobicContact CZ3-CB 4.46Å; W260-P288 HydrophobicContact CZ3-CG 4.03Å; G264-P288 VanDerWaalsContact O-CG 3.23Å; G264-P288 WeakPolarHBondContact O-CG 3.32Å; S265-P288 WeakPolarHBondContact O-CD 3.2Å; P288-G290 VanDerWaalsContact C-N 3.33Å
289F84Confident89.3Confident93 Ų9339.7 Ų39.741%0.40821%0.211SC..THydrogen-bonded Turntrans-92.85.6178.4-52.9-71.2000112.9L223 V247 N287 N291 F354L223-F289 HydrophobicContact CD2-CE1 4.02Å; L223-F289 HydrophobicContact CD2-CE2 4.4Å; L223-F289 HydrophobicContact CD2-CZ 3.48Å; L223-F289 VanDerWaalsContact CD2-CZ 3.48Å; V247-F289 VanDerWaalsContact CG1-O 3.24Å; V247-F289 WeakPolarHBondContact CG1-O 3.35Å; N287-F289 PolarHBondContact O-N 3.49Å; N287-F289 WeakPolarHBondContact OD1-CA 3.43Å; N287-F289 PolarHBondContact OD1-N 3.42Å; F289-N291 VanDerWaalsContact C-N 3.34Å; F289-F354 HydrophobicContact CZ-CE1 4.02Å
290G84.8Confident89.5Confident13 Ų1337 Ų3713%0.13421%0.206CC..  trans79.410.7178.600000115.1L249 N287 P288 H292L249-G290 WeakPolarHBondContact CD2-O 3.29Å; N287-G290 PolarHBondContact O-N 3.44Å; N287-G290 PolarHBondContact OD1-N 3.17Å; N287-G290 VanDerWaalsContact OD1-N 3.11Å; P288-G290 VanDerWaalsContact C-N 3.33Å; G290-H292 PolarHBondContact O-N 2.95Å
291N84.8Confident89.5Confident98 Ų9842.5 Ų42.552%0.52423%0.227SC..  trans-74.8127.7172.4-57.8-22.7000109.3Y286 N287 F289Y286-N291 VanDerWaalsContact CA-O 3.32Å; Y286-N291 WeakPolarHBondContact CA-O 3.27Å; N287-N291 PolarHBondContact N-O 3.49Å; N287-N291 PolarHBondContact ND2-ND2 3.07Å; N287-N291 WeakPolarHBondContact OD1-CB 3.42Å; N287-N291 PolarHBondContact OD1-N 3.14Å; F289-N291 VanDerWaalsContact C-N 3.34Å
292H89.5Confident89.3Confident93 Ų9345.5 Ų45.543%0.43125%0.247SC..EExtended strand (participates in β ladder)trans-68.7131.9172.9178.3-92.2000110.7Y286 G290 N294 T295Y286-H292 HydrophobicContact CD1-CB 4.12Å; Y286-H292 HydrophobicContact CE1-CB 3.73Å; Y286-H292 AromaticContact CZ-CD2 3.93Å; G290-H292 PolarHBondContact O-N 2.95Å; H292-N294 VanDerWaalsContact CE1-C 3.46Å; H292-N294 PolarHBondContact NE2-O 3.48Å; H292-T295 PolarHBondContact CE1-OG1 3.35Å; H292-T295 VanDerWaalsContact CE1-OG1 3.28Å; H292-T295 PolarHBondContact NE2-OG1 3.04Å
293L85.2Confident89.3Confident53 Ų5345.9 Ų45.928%0.27725%0.249SC..EExtended strand (participates in β ladder)trans-106.9-43-174.2-59.3178000113.1M1 M266 F285 N287M1-L293 HydrophobicContact CE-CD1 4.04Å; M1-L293 HydrophobicContact SD-CB 4.09Å; M1-L293 HydrophobicContact SD-CD1 4.32Å; M266-L293 HydrophobicContact CG-CD1 3.68Å; M266-L293 HydrophobicContact SD-CD1 3.88Å; F285-L293 HydrophobicContact CB-CB 4.24Å; F285-L293 WeakPolarHBondContact O-CB 3.45Å; F285-L293 PolarHBondContact O-N 3.49Å; N287-L293 HydrophobicContact CB-CD1 4.21Å; N287-L293 HydrophobicContact CB-CD2 4.27Å; N287-L293 HydrophobicContact CB-CG 4.46Å
294N88.4Confident89.3Confident26 Ų2648 Ų4814%0.13926%0.262CS..EExtended strand (participates in β ladder)trans-167.3156.1179-164-56.7000110.1M1 S3 F285 H292M1-N294 HydrophobicContact CB-CB 4.45Å; M1-N294 PolarHBondContact O-ND2 3.03Å; S3-N294 PolarHBondContact OG-OD1 2.92Å; S3-N294 VanDerWaalsContact OG-OD1 3.13Å; F285-N294 HydrophobicContact CD2-CB 4.23Å; F285-N294 PolarHBondContact N-O 2.92Å; H292-N294 VanDerWaalsContact CE1-C 3.46Å; H292-N294 PolarHBondContact NE2-O 3.48Å
295T90.7Very high89.2Confident47 Ų4747.8 Ų47.829%0.28826%0.263SS..EExtended strand (participates in β ladder)trans-120122.2168-58.40000110.3V282 V283 Q284 H292V282-T295 HydrophobicContact CB-CG2 3.99Å; V282-T295 HydrophobicContact CG1-CG2 4.33Å; V283-T295 CarbonylContact O-C 3.59Å; V283-T295 WeakPolarHBondContact O-CA 3.26Å; Q284-T295 HydrophobicContact CG-CG2 4.05Å; H292-T295 PolarHBondContact CE1-OG1 3.35Å; H292-T295 VanDerWaalsContact CE1-OG1 3.28Å; H292-T295 PolarHBondContact NE2-OG1 3.04Å
296L90.4Very high89.3Confident15 Ų1548.4 Ų48.48%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-98.8124.2172.9-179.664000110.8L5 V282 V283 F285 L298 A327L5-L296 HydrophobicContact CD2-CD2 4.12Å; V282-L296 CarbonylContact C-O 3.52Å; V282-L296 VanDerWaalsContact CA-O 3.3Å; V282-L296 WeakPolarHBondContact CA-O 3.44Å; V283-L296 PolarHBondContact N-O 2.91Å; V283-L296 PolarHBondContact O-N 3.07Å; F285-L296 HydrophobicContact CE2-CB 4.18Å; L296-L298 HydrophobicContact CD2-CD2 4.03Å; L296-L298 HydrophobicContact CG-CD2 4.13Å; L296-A327 HydrophobicContact CD2-CB 3.55Å
297L90.7Very high89.4Confident100 Ų10048.5 Ų48.552%0.52427%0.269SS..EExtended strand (participates in β ladder)trans-80.7135.3173-55.8-178.1000110.9I280 V282I280-L297 HydrophobicContact CG2-CD2 4.07Å; V282-L297 HydrophobicContact CG1-CD2 3.46Å; V282-L297 VanDerWaalsContact CG1-CD2 3.46Å
298L91.4Very high89.7Confident10 Ų1047.7 Ų47.75%0.05226%0.264CS..EExtended strand (participates in β ladder)trans-115.3137.3-178.3-59.3-179.8000112.2L5 N281 V283 L296 L303 L318 V320L5-L298 HydrophobicContact CD1-CD2 4.43Å; L5-L298 HydrophobicContact CD2-CD2 3.87Å; N281-L298 HydrophobicContact CB-CB 3.93Å; N281-L298 PolarHBondContact O-N 3.45Å; V283-L298 HydrophobicContact CG2-CD1 3.62Å; V283-L298 HydrophobicContact CG2-CG 4.27Å; L296-L298 HydrophobicContact CD2-CD2 4.03Å; L296-L298 HydrophobicContact CG-CD2 4.13Å; L298-L303 HydrophobicContact CD1-CD1 3.95Å; L298-L303 HydrophobicContact CD1-CD2 4.34Å; L298-L318 HydrophobicContact CD1-CD1 3.78Å; L298-L318 HydrophobicContact CD1-CD2 4.1Å; L298-L318 HydrophobicContact CD1-CG 4.36Å; L298-L318 HydrophobicContact CD2-CD1 3.59Å; L298-L318 HydrophobicContact CG-CD1 4.32Å; L298-V320 HydrophobicContact CD1-CG2 4.34Å
299P90.1Very high89.9Confident55 Ų5548 Ų4836%0.35727%0.265SS..  trans-75.8153.9170.934-36.9000111.2L5 V320 Y325L5-P299 HydrophobicContact CD1-CG 4.26Å; P299-V320 WeakPolarHBondContact O-CG1 3.16Å; P299-Y325 HydrophobicContact CG-CD1 4.34Å; P299-Y325 HydrophobicContact CG-CE1 3.55Å; P299-Y325 HydrophobicContact CG-CE2 4.13Å; P299-Y325 VanDerWaalsContact CG-CZ 3.44Å; P299-Y325 WeakPolarHBondContact CG-OH 3.15Å
300G88.4Confident89.6Confident40 Ų4043.7 Ų43.741%0.41225%0.246SC..SBendtrans111.3175.9175.800000112.8N281 D321N281-G300 PolarHBondContact ND2-O 2.98Å; G300-D321 VanDerWaalsContact CA-OD2 3.27Å; G300-D321 WeakPolarHBondContact CA-OD2 3.4Å
301K88.9Confident89Confident180 Ų18048.7 Ų48.778%0.78327%0.269SS*.SBendtrans-98.8-50-175.8-65.1-177.5-179.9-178.80112.1N281 D321N281-K301 VanDerWaalsContact ND2-C 3.3Å; N281-K301 PolarHBondContact ND2-O 3.4Å; K301-D321 PolarHBondContact N-OD2 3.32Å
302C90.4Very high88.2Confident63 Ų6345.9 Ų45.943%0.42626%0.264SS..  trans-118.2107.4-171.5-54.40000111.4V320 D321C302-V320 CarbonylContact O-C 3.59Å; C302-V320 WeakPolarHBondContact O-CA 3.44Å; C302-D321 WeakPolarHBondContact CB-OD1 3.48Å; C302-D321 PolarHBondContact N-OD1 2.97Å; C302-D321 PolarHBondContact O-N 2.99Å
303L94.2Very high87.5Confident8 Ų842.5 Ų42.54%0.04225%0.251CS..EExtended strand (participates in β ladder)trans-87.6124.7171.3169.270.6000109.8T256 A270 N281 L298 L318 V320T256-L303 WeakPolarHBondContact OG1-CD2 3.4Å; A270-L303 HydrophobicContact CB-CD2 3.73Å; N281-L303 HydrophobicContact CB-CB 4.27Å; L298-L303 HydrophobicContact CD1-CD1 3.95Å; L298-L303 HydrophobicContact CD1-CD2 4.34Å; L303-L318 HydrophobicContact CD1-CD2 4.05Å; L303-V320 HydrophobicContact CD1-CG2 3.79Å
304T94.2Very high87.3Confident44 Ų4441.3 Ų41.327%0.2724%0.244SC..EExtended strand (participates in β ladder)trans-118.3-33.4-171.652.30000114.9L17 A319L17-T304 WeakPolarHBondContact O-CB 3.4Å; L17-T304 VanDerWaalsContact O-CG2 3.28Å; L17-T304 WeakPolarHBondContact O-CG2 3.28Å; L17-T304 PolarHBondContact O-OG1 2.92Å; T304-A319 PolarHBondContact N-O 2.9Å; T304-A319 PolarHBondContact OG1-O 3.01Å
305A94.6Very high87.2Confident11 Ų1141.3 Ų41.39%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-149.7151.8-179.100000112.8A20 C257 L318 A319A20-A305 HydrophobicContact CB-CB 3.98Å; C257-A305 VanDerWaalsContact SG-C 3.59Å; A305-L318 WeakPolarHBondContact O-CA 3.47Å; A305-A319 HydrophobicContact CB-CB 4.08Å; A305-A319 PolarHBondContact O-N 3.04Å
306C94.7Very high87.2Confident12 Ų1239.1 Ų39.18%0.08123%0.229CC..EExtended strand (participates in β ladder)trans-133.8140.7171.266.70000109.9C257 C259 A270 L316 A317 L318C257-C306 PolarHBondContact SG-N 3.35Å; C259-C306 PolarHBondContact SG-O 2.97Å; A270-C306 HydrophobicContact CB-CB 4.29Å; C306-L316 HydrophobicContact CB-CD1 4.48Å; C306-A317 CarbonylContact C-O 3.59Å; C306-A317 WeakPolarHBondContact CA-O 3.4Å; C306-L318 HydrophobicContact CB-CD2 3.54Å
307T94.1Very high87.4Confident16 Ų1638.4 Ų38.410%0.09823%0.225CC..EExtended strand (participates in β ladder)trans-151.8140.7179.9-177.10000111.3A20 W22 L316 A317A20-T307 HydrophobicContact CB-CG2 4.48Å; W22-T307 HydrophobicContact CB-CG2 3.73Å; W22-T307 WeakPolarHBondContact CB-OG1 3.27Å; W22-T307 PolarHBondContact N-OG1 2.86Å; T307-L316 WeakPolarHBondContact O-CD1 3.38Å; T307-A317 HydrophobicContact CG2-CB 3.9Å; T307-A317 PolarHBondContact N-O 3.46Å; T307-A317 PolarHBondContact O-N 2.86Å
308W91.3Very high87.6Confident12 Ų1233.6 Ų33.65%0.04520%0.2CC..EExtended strand (participates in β ladder)trans-89.5147.3178.8-7098.5000112.4W22 C259 W260 N261 M266 A268 F285 L316 L329W22-W308 WeakPolarHBondContact CB-O 3.26Å; C259-W308 PolarHBondContact O-NE1 3.45Å; C259-W308 VanDerWaalsContact O-NE1 3.09Å; C259-W308 PolarHBondContact SG-NE1 3.47Å; W260-W308 VanDerWaalsContact C-CD1 3.48Å; N261-W308 HydrophobicContact CB-CD2 3.74Å; N261-W308 HydrophobicContact CB-CE3 4.16Å; N261-W308 HydrophobicContact CB-CG 3.96Å; N261-W308 HydrophobicContact CB-CZ2 4.23Å; M266-W308 HydrophobicContact CE-CH2 4.41Å; A268-W308 HydrophobicContact CB-CZ2 3.78Å; F285-W308 HydrophobicContact CD1-CH2 4.11Å; F285-W308 AromaticContact CD1-CZ2 3.98Å; F285-W308 HydrophobicContact CD1-CZ2 3.98Å; F285-W308 AromaticContact CE1-CH2 3.81Å; F285-W308 HydrophobicContact CE1-CH2 3.81Å; F285-W308 AromaticContact CE1-CZ2 3.82Å; F285-W308 HydrophobicContact CE1-CZ2 3.82Å; W308-L316 HydrophobicContact CD2-CD1 3.61Å; W308-L316 HydrophobicContact CE3-CB 4.25Å; W308-L316 HydrophobicContact CE3-CD1 4.15Å; W308-L316 HydrophobicContact CG-CD1 3.85Å; W308-L316 HydrophobicContact CZ2-CD1 4.15Å; W308-L316 HydrophobicContact CZ3-CB 4.3Å; W308-L329 HydrophobicContact CH2-CD1 3.7Å; W308-L329 HydrophobicContact CH2-CD2 3.73Å; W308-L329 HydrophobicContact CH2-CG 4.32Å; W308-L329 HydrophobicContact CZ3-CD1 3.72Å; W308-L329 HydrophobicContact CZ3-CD2 4.39Å
309E87.6Confident87.8Confident20 Ų2033.1 Ų33.19%0.09320%0.197CC..  trans-72.3147.3159.9-171177.9-134.500110.4W22 S313 R315W22-E309 HydrophobicContact CD2-CB 3.83Å; W22-E309 HydrophobicContact CD2-CG 4.31Å; W22-E309 HydrophobicContact CE3-CB 3.97Å; W22-E309 HydrophobicContact CH2-CB 3.85Å; W22-E309 HydrophobicContact CH2-CG 4.32Å; W22-E309 HydrophobicContact CZ2-CB 3.69Å; W22-E309 HydrophobicContact CZ2-CG 3.71Å; W22-E309 WeakPolarHBondContact CZ2-OE1 3.24Å; W22-E309 HydrophobicContact CZ3-CB 3.97Å; E309-S313 WeakPolarHBondContact OE2-CB 3.25Å; E309-S313 PolarHBondContact OE2-OG 3.43Å; E309-R315 HydrophobicContact CB-CB 4.2Å; E309-R315 VanDerWaalsContact CD-CZ 3.44Å; E309-R315 PolarHBondContact N-O 3.16Å; E309-R315 IonicContact OE1-CZ 2.77Å; E309-R315 VanDerWaalsContact OE1-CZ 3.23Å; E309-R315 IonicContact OE1-NE 2.73Å; E309-R315 IonicContact OE1-NH1 2.67Å; E309-R315 IonicContact OE1-NH2 2.76Å; E309-R315 PolarHBondContact OE1-NH2 3.44Å; E309-R315 IonicContact OE2-CZ 3.15Å; E309-R315 IonicContact OE2-NE 3.34Å; E309-R315 PolarHBondContact OE2-NE 2.96Å; E309-R315 IonicContact OE2-NH1 2.86Å; E309-R315 IonicContact OE2-NH2 3.33Å; E309-R315 PolarHBondContact OE2-NH2 3.01Å
310G78.4Confident88Confident1 Ų130.5 Ų30.51%0.0118%0.18CC..SBendtrans-88.3-158.1171.500000114.3K24 E262 S313K24-G310 CarbonylContact O-C 3.59Å; K24-G310 WeakPolarHBondContact O-CA 3.32Å; E262-G310 VanDerWaalsContact CD-CA 3.42Å; E262-G310 WeakPolarHBondContact OE1-CA 3.05Å; E262-G310 VanDerWaalsContact OE2-CA 3.26Å; E262-G310 WeakPolarHBondContact OE2-CA 3.29Å; G310-S313 WeakPolarHBondContact O-CB 3.1Å; G310-S313 PolarHBondContact O-N 3.48Å
311N72.1Confident88.3Confident119 Ų11930.1 Ų30.164%0.63617%0.169SC*.THydrogen-bonded Turntrans51.641.4-169-60.9-35.5000116.1K24 E262 S313K24-N311 PolarHBondContact O-N 3.19Å; E262-N311 PolarHBondContact OE1-N 3.46Å; E262-N311 VanDerWaalsContact OE2-CA 3.25Å; E262-N311 WeakPolarHBondContact OE2-CA 3.26Å; E262-N311 PolarHBondContact OE2-N 3.49Å; N311-S313 PolarHBondContact O-N 2.95Å
312G66.7Low88.5Confident39 Ų3922 Ų2240%0.40214%0.135SC..THydrogen-bonded Turntrans66.519.9-179.900000113.2E262E262-G312 PolarHBondContact OE2-N 2.95Å
313S74.6Confident88.7Confident22 Ų2221.4 Ų21.415%0.15413%0.125CC..  trans-77.8145.5-179.4-173.50000111.6E309 G310 N311 R315E309-S313 WeakPolarHBondContact OE2-CB 3.25Å; E309-S313 PolarHBondContact OE2-OG 3.43Å; G310-S313 WeakPolarHBondContact O-CB 3.1Å; G310-S313 PolarHBondContact O-N 3.48Å; N311-S313 PolarHBondContact O-N 2.95Å; S313-R315 VanDerWaalsContact C-N 3.35Å
314L80.5Confident88.7Confident28 Ų2821 Ų2115%0.14712%0.123CC..  trans-104.141.4176.9-66.8-176.8000110.9L54 M266 L329 P331L54-L314 HydrophobicContact CD2-CB 4.45Å; M266-L314 HydrophobicContact CE-CD2 3.36Å; L314-L329 HydrophobicContact CB-CB 4.12Å; L314-L329 WeakPolarHBondContact CB-O 3.17Å; L314-L329 PolarHBondContact O-N 3.03Å; L314-P331 HydrophobicContact CD1-CB 4.26Å; L314-P331 HydrophobicContact CD1-CG 3.86Å
315R87Confident88.7Confident26 Ų2619.9 Ų19.910%0.09811%0.114CC..EExtended strand (participates in β ladder)trans-112.1134.8177.7-66.5-166.4-75.3155.2-9.4110.8W22 E309 S313 A327 N328W22-R315 HydrophobicContact CH2-CB 4.13Å; W22-R315 HydrophobicContact CZ3-CB 4.36Å; E309-R315 HydrophobicContact CB-CB 4.2Å; E309-R315 VanDerWaalsContact CD-CZ 3.44Å; E309-R315 PolarHBondContact N-O 3.16Å; E309-R315 IonicContact OE1-CZ 2.77Å; E309-R315 VanDerWaalsContact OE1-CZ 3.23Å; E309-R315 IonicContact OE1-NE 2.73Å; E309-R315 IonicContact OE1-NH1 2.67Å; E309-R315 IonicContact OE1-NH2 2.76Å; E309-R315 PolarHBondContact OE1-NH2 3.44Å; E309-R315 IonicContact OE2-CZ 3.15Å; E309-R315 IonicContact OE2-NE 3.34Å; E309-R315 PolarHBondContact OE2-NE 2.96Å; E309-R315 IonicContact OE2-NH1 2.86Å; E309-R315 IonicContact OE2-NH2 3.33Å; E309-R315 PolarHBondContact OE2-NH2 3.01Å; S313-R315 VanDerWaalsContact C-N 3.35Å; R315-A327 WeakPolarHBondContact CA-O 3.36Å; R315-N328 WeakPolarHBondContact CD-OD1 3.29Å; R315-N328 WeakPolarHBondContact CG-OD1 3.45Å
316L91.4Very high88.5Confident0 Ų019.7 Ų19.70%011%0.111CC..EExtended strand (participates in β ladder)trans-121.5135.3-179.2-173.979.1000109.2A268 V283 F285 C306 T307 W308 L318 F326 A327 L329A268-L316 HydrophobicContact CB-CD1 4.35Å; A268-L316 HydrophobicContact CB-CD2 4.49Å; V283-L316 HydrophobicContact CG1-CD2 4.08Å; F285-L316 HydrophobicContact CE1-CD2 4.1Å; F285-L316 HydrophobicContact CZ-CD2 4.17Å; C306-L316 HydrophobicContact CB-CD1 4.48Å; T307-L316 WeakPolarHBondContact O-CD1 3.38Å; W308-L316 HydrophobicContact CD2-CD1 3.61Å; W308-L316 HydrophobicContact CE3-CB 4.25Å; W308-L316 HydrophobicContact CE3-CD1 4.15Å; W308-L316 HydrophobicContact CG-CD1 3.85Å; W308-L316 HydrophobicContact CZ2-CD1 4.15Å; W308-L316 HydrophobicContact CZ3-CB 4.3Å; L316-L318 HydrophobicContact CD2-CD1 3.99Å; L316-L318 HydrophobicContact CD2-CD2 3.89Å; L316-L318 HydrophobicContact CD2-CG 3.89Å; L316-L318 HydrophobicContact CG-CG 4.24Å; L316-F326 CarbonylContact O-C 3.51Å; L316-F326 VanDerWaalsContact O-CA 3.31Å; L316-F326 WeakPolarHBondContact O-CA 3.34Å; L316-A327 HydrophobicContact CB-CB 4.4Å; L316-A327 PolarHBondContact N-O 3.47Å; L316-A327 PolarHBondContact O-N 2.9Å; L316-L329 HydrophobicContact CB-CD1 4.4Å
317A93.7Very high88.3Confident0 Ų019.1 Ų19.10%011%0.107CC..EExtended strand (participates in β ladder)trans-103.1140.5167.800000110.3W22 C306 T307 L324 Y325 F326W22-A317 HydrophobicContact CE3-CB 3.58Å; W22-A317 HydrophobicContact CZ3-CB 3.71Å; C306-A317 CarbonylContact C-O 3.59Å; C306-A317 WeakPolarHBondContact CA-O 3.4Å; T307-A317 HydrophobicContact CG2-CB 3.9Å; T307-A317 PolarHBondContact N-O 3.46Å; T307-A317 PolarHBondContact O-N 2.86Å; A317-L324 HydrophobicContact CB-CD1 4.29Å; A317-Y325 CarbonylContact C-O 3.53Å; A317-Y325 WeakPolarHBondContact CA-O 3.26Å; A317-F326 HydrophobicContact CB-CD1 3.94Å; A317-F326 HydrophobicContact CB-CE1 3.73Å; A317-F326 HydrophobicContact CB-CZ 4.47Å
318L95.3Very high88Confident0 Ų019 Ų190%011%0.106CC..EExtended strand (participates in β ladder)trans-133.9122.8-173.4-70.2156.4000109.6V283 L298 L303 A305 C306 L316 L324 Y325 A327V283-L318 HydrophobicContact CG2-CD1 4.02Å; V283-L318 HydrophobicContact CG2-CD2 3.56Å; V283-L318 HydrophobicContact CG2-CG 4.43Å; L298-L318 HydrophobicContact CD1-CD1 3.78Å; L298-L318 HydrophobicContact CD1-CD2 4.1Å; L298-L318 HydrophobicContact CD1-CG 4.36Å; L298-L318 HydrophobicContact CD2-CD1 3.59Å; L298-L318 HydrophobicContact CG-CD1 4.32Å; L303-L318 HydrophobicContact CD1-CD2 4.05Å; A305-L318 WeakPolarHBondContact O-CA 3.47Å; C306-L318 HydrophobicContact CB-CD2 3.54Å; L316-L318 HydrophobicContact CD2-CD1 3.99Å; L316-L318 HydrophobicContact CD2-CD2 3.89Å; L316-L318 HydrophobicContact CD2-CG 3.89Å; L316-L318 HydrophobicContact CG-CG 4.24Å; L318-L324 WeakPolarHBondContact O-CA 3.35Å; L318-Y325 PolarHBondContact N-O 3.03Å; L318-Y325 PolarHBondContact O-N 3.42Å; L318-A327 HydrophobicContact CD1-CB 4.45Å
319A95.6Very high87.8Confident0 Ų018.4 Ų18.40%010%0.104CC..EExtended strand (participates in β ladder)trans-89.1114.3174.600000109.6L17 A20 T304 A305L17-A319 HydrophobicContact CB-CB 3.87Å; L17-A319 HydrophobicContact CD1-CB 4Å; A20-A319 HydrophobicContact CB-CB 4.23Å; T304-A319 PolarHBondContact N-O 2.9Å; T304-A319 PolarHBondContact OG1-O 3.01Å; A305-A319 HydrophobicContact CB-CB 4.08Å; A305-A319 PolarHBondContact O-N 3.04Å
320V95Very high87.5Confident0 Ų017.9 Ų17.90%010%0.101CC..EExtended strand (participates in β ladder)trans-132.8120.2178.2-166.30000110.2L298 P299 C302 L303 S322 F323 Y325L298-V320 HydrophobicContact CD1-CG2 4.34Å; P299-V320 WeakPolarHBondContact O-CG1 3.16Å; C302-V320 CarbonylContact O-C 3.59Å; C302-V320 WeakPolarHBondContact O-CA 3.44Å; L303-V320 HydrophobicContact CD1-CG2 3.79Å; V320-S322 PolarHBondContact O-N 3.06Å; V320-F323 PolarHBondContact N-O 3.43Å; V320-F323 WeakPolarHBondContact O-CA 3.45Å; V320-F323 WeakPolarHBondContact O-CB 3.2Å; V320-F323 PolarHBondContact O-N 3.35Å; V320-F323 VanDerWaalsContact O-O 3.13Å; V320-Y325 HydrophobicContact CB-CD2 4.01Å; V320-Y325 HydrophobicContact CB-CE2 4.12Å; V320-Y325 HydrophobicContact CG2-CD2 4Å
321D93.7Very high87.5Confident31 Ų3118.8 Ų18.817%0.16611%0.107CC..THydrogen-bonded Turntrans50-119-172.6-56.7-44.7000111.1K16 L17 G300 K301 C302K16-D321 CarbonylContact C-O 3.58Å; K16-D321 WeakPolarHBondContact CA-O 3.4Å; L17-D321 PolarHBondContact N-O 3.47Å; G300-D321 VanDerWaalsContact CA-OD2 3.27Å; G300-D321 WeakPolarHBondContact CA-OD2 3.4Å; K301-D321 PolarHBondContact N-OD2 3.32Å; C302-D321 WeakPolarHBondContact CB-OD1 3.48Å; C302-D321 PolarHBondContact N-OD1 2.97Å; C302-D321 PolarHBondContact O-N 2.99Å
322S93.9Very high88Confident10 Ų1018.3 Ų18.37%0.0710%0.096CC..THydrogen-bonded Turntrans-99.924176.258.90000113.2I11 A15 V320I11-S322 VanDerWaalsContact CB-O 3.29Å; I11-S322 WeakPolarHBondContact CB-O 3.48Å; I11-S322 WeakPolarHBondContact CG1-O 3.43Å; I11-S322 PolarHBondContact N-O 3.35Å; A15-S322 WeakPolarHBondContact O-CA 3.5Å; A15-S322 VanDerWaalsContact O-CB 3.32Å; A15-S322 WeakPolarHBondContact O-CB 3.48Å; V320-S322 PolarHBondContact O-N 3.06Å
323F94.9Very high88.9Confident50 Ų5017.9 Ų17.922%0.2198%0.083CC..EExtended strand (participates in β ladder)trans-128.6141.1-175-57.2-72.2000112.2K8 I9 A10 V320 Y325K8-F323 HydrophobicContact CD-CD1 4.24Å; K8-F323 HydrophobicContact CG-CB 4.48Å; K8-F323 HydrophobicContact CG-CD1 4.31Å; K8-F323 VanDerWaalsContact NZ-CE1 3.34Å; I9-F323 WeakPolarHBondContact O-CA 3.3Å; A10-F323 HydrophobicContact CB-CD1 3.78Å; A10-F323 HydrophobicContact CB-CE1 3.66Å; V320-F323 PolarHBondContact N-O 3.43Å; V320-F323 WeakPolarHBondContact O-CA 3.45Å; V320-F323 WeakPolarHBondContact O-CB 3.2Å; V320-F323 PolarHBondContact O-N 3.35Å; V320-F323 VanDerWaalsContact O-O 3.13Å; F323-Y325 HydrophobicContact CB-CD2 3.98Å; F323-Y325 HydrophobicContact CB-CE2 3.5Å; F323-Y325 HydrophobicContact CD2-CE2 4.41Å; F323-Y325 HydrophobicContact CG-CE2 4.22Å
324L93.6Very high89.6Confident0 Ų019.4 Ų19.40%09%0.087CC..EExtended strand (participates in β ladder)trans-101.7112166.2-167.370.9000108.5K8 I9 L17 A20 V29 L41 A317 L318 F326K8-L324 WeakPolarHBondContact CA-O 3.17Å; I9-L324 HydrophobicContact CB-CB 4.38Å; I9-L324 PolarHBondContact N-O 3.32Å; I9-L324 PolarHBondContact O-N 3.22Å; L17-L324 HydrophobicContact CD1-CB 4.37Å; L17-L324 HydrophobicContact CD1-CD1 4.49Å; A20-L324 HydrophobicContact CB-CD1 4.39Å; V29-L324 HydrophobicContact CG1-CD2 4Å; L41-L324 HydrophobicContact CD1-CD2 3.73Å; A317-L324 HydrophobicContact CB-CD1 4.29Å; L318-L324 WeakPolarHBondContact O-CA 3.35Å; L324-F326 HydrophobicContact CB-CE2 4.44Å; L324-F326 HydrophobicContact CD2-CE1 4.32Å; L324-F326 HydrophobicContact CD2-CE2 3.78Å; L324-F326 HydrophobicContact CD2-CZ 3.39Å; L324-F326 HydrophobicContact CG-CE2 3.93Å; L324-F326 HydrophobicContact CG-CZ 3.9Å
325Y93.4Very high90.2Very high21 Ų2120.3 Ų20.38%0.0829%0.088CC..EExtended strand (participates in β ladder)trans-94.6141175.6-74.9-85.8000110.1L5 K8 P299 A317 L318 V320 F323L5-Y325 HydrophobicContact CD1-CD1 4.09Å; L5-Y325 HydrophobicContact CD1-CE1 4.46Å; L5-Y325 HydrophobicContact CD2-CD1 4.36Å; K8-Y325 HydrophobicContact CB-CD1 4.16Å; K8-Y325 HydrophobicContact CB-CE1 4.08Å; K8-Y325 HydrophobicContact CD-CD1 4.48Å; K8-Y325 HydrophobicContact CD-CE1 3.63Å; K8-Y325 WeakPolarHBondContact CE-OH 3.41Å; K8-Y325 HydrophobicContact CG-CD1 4.17Å; K8-Y325 HydrophobicContact CG-CE1 3.79Å; K8-Y325 PolarHBondContact NZ-OH 3.11Å; P299-Y325 HydrophobicContact CG-CD1 4.34Å; P299-Y325 HydrophobicContact CG-CE1 3.55Å; P299-Y325 HydrophobicContact CG-CE2 4.13Å; P299-Y325 VanDerWaalsContact CG-CZ 3.44Å; P299-Y325 WeakPolarHBondContact CG-OH 3.15Å; A317-Y325 CarbonylContact C-O 3.53Å; A317-Y325 WeakPolarHBondContact CA-O 3.26Å; L318-Y325 PolarHBondContact N-O 3.03Å; L318-Y325 PolarHBondContact O-N 3.42Å; V320-Y325 HydrophobicContact CB-CD2 4.01Å; V320-Y325 HydrophobicContact CB-CE2 4.12Å; V320-Y325 HydrophobicContact CG2-CD2 4Å; F323-Y325 HydrophobicContact CB-CD2 3.98Å; F323-Y325 HydrophobicContact CB-CE2 3.5Å; F323-Y325 HydrophobicContact CD2-CE2 4.41Å; F323-Y325 HydrophobicContact CG-CE2 4.22Å
326F91.5Very high90.5Very high6 Ų619.6 Ų19.63%0.0269%0.088CC..EExtended strand (participates in β ladder)trans-113.6131.2172.9-63.9-91.2000108.9L5 S6 K7 I9 W22 V29 L43 L316 A317 L324L5-F326 CarbonylContact C-O 3.57Å; L5-F326 WeakPolarHBondContact CA-O 3.35Å; S6-F326 PolarHBondContact N-O 3.18Å; S6-F326 PolarHBondContact OG-O 2.91Å; K7-F326 HydrophobicContact CB-CB 4.08Å; K7-F326 HydrophobicContact CB-CD2 3.97Å; K7-F326 HydrophobicContact CB-CG 4.34Å; K7-F326 HydrophobicContact CG-CD2 4.42Å; K7-F326 PolarHBondContact N-O 3.23Å; K7-F326 PolarHBondContact O-N 3.48Å; I9-F326 HydrophobicContact CD1-CE2 3.62Å; I9-F326 HydrophobicContact CD1-CZ 4.14Å; I9-F326 HydrophobicContact CG1-CE2 3.93Å; W22-F326 HydrophobicContact CE3-CE1 4.49Å; W22-F326 AromaticContact CH2-CD1 3.7Å; W22-F326 HydrophobicContact CH2-CD1 3.7Å; W22-F326 AromaticContact CH2-CE1 3.76Å; W22-F326 HydrophobicContact CH2-CE1 3.76Å; W22-F326 HydrophobicContact CZ2-CE1 4.43Å; W22-F326 AromaticContact CZ3-CD1 3.72Å; W22-F326 HydrophobicContact CZ3-CD1 3.72Å; W22-F326 AromaticContact CZ3-CE1 3.8Å; W22-F326 HydrophobicContact CZ3-CE1 3.8Å; V29-F326 HydrophobicContact CG2-CE1 4.31Å; L43-F326 HydrophobicContact CD1-CD1 3.88Å; L43-F326 HydrophobicContact CD1-CE1 3.28Å; L43-F326 HydrophobicContact CD1-CE2 4.23Å; L43-F326 HydrophobicContact CD1-CZ 3.49Å; L43-F326 VanDerWaalsContact CD1-CZ 3.49Å; L316-F326 CarbonylContact O-C 3.51Å; L316-F326 VanDerWaalsContact O-CA 3.31Å; L316-F326 WeakPolarHBondContact O-CA 3.34Å; A317-F326 HydrophobicContact CB-CD1 3.94Å; A317-F326 HydrophobicContact CB-CE1 3.73Å; A317-F326 HydrophobicContact CB-CZ 4.47Å; L324-F326 HydrophobicContact CB-CE2 4.44Å; L324-F326 HydrophobicContact CD2-CE1 4.32Å; L324-F326 HydrophobicContact CD2-CE2 3.78Å; L324-F326 HydrophobicContact CD2-CZ 3.39Å; L324-F326 HydrophobicContact CG-CE2 3.93Å; L324-F326 HydrophobicContact CG-CZ 3.9Å
327A90.3Very high90.6Very high0 Ų021 Ų210%09%0.094CC..EExtended strand (participates in β ladder)trans-113.5141.3174.300000109.8Y4 L5 L296 R315 L316 L318Y4-A327 CarbonylContact O-C 3.56Å; Y4-A327 VanDerWaalsContact O-CA 3.27Å; Y4-A327 WeakPolarHBondContact O-CA 3.43Å; L5-A327 HydrophobicContact CD2-CB 4.19Å; L296-A327 HydrophobicContact CD2-CB 3.55Å; R315-A327 WeakPolarHBondContact CA-O 3.36Å; L316-A327 HydrophobicContact CB-CB 4.4Å; L316-A327 PolarHBondContact N-O 3.47Å; L316-A327 PolarHBondContact O-N 2.9Å; L318-A327 HydrophobicContact CD1-CB 4.45Å
328N87.6Confident90.4Very high13 Ų1321 Ų217%0.079%0.094CC..EExtended strand (participates in β ladder)trans-109.1132.5170.4-68.53.1000108S3 Y4 S6 L54 R315S3-N328 WeakPolarHBondContact CA-O 3.2Å; Y4-N328 HydrophobicContact CD1-CB 4.5Å; Y4-N328 HydrophobicContact CE1-CB 3.85Å; Y4-N328 HydrophobicContact CE2-CB 3.99Å; Y4-N328 PolarHBondContact N-O 3Å; Y4-N328 VanDerWaalsContact N-O 3.09Å; Y4-N328 PolarHBondContact O-N 3.36Å; Y4-N328 PolarHBondContact OH-ND2 2.89Å; S6-N328 PolarHBondContact OG-OD1 3.32Å; L54-N328 HydrophobicContact CD2-CB 4.48Å; R315-N328 WeakPolarHBondContact CD-OD1 3.29Å; R315-N328 WeakPolarHBondContact CG-OD1 3.45Å
329L86Confident89.9Confident1 Ų123.6 Ų23.61%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-103.3138.1172-68.681.2000109.7M1 L54 M266 F285 W308 L314 L316M1-L329 HydrophobicContact SD-CD2 3.9Å; L54-L329 WeakPolarHBondContact CD1-O 3.42Å; L54-L329 WeakPolarHBondContact CD2-O 3.47Å; M266-L329 HydrophobicContact CE-CD2 4.41Å; M266-L329 HydrophobicContact SD-CD2 4.18Å; F285-L329 HydrophobicContact CD1-CD2 3.69Å; F285-L329 HydrophobicContact CD2-CD2 4.01Å; F285-L329 HydrophobicContact CE1-CD1 4.07Å; F285-L329 HydrophobicContact CE1-CD2 3.64Å; F285-L329 HydrophobicContact CE1-CG 4.31Å; F285-L329 HydrophobicContact CE2-CD2 3.95Å; F285-L329 HydrophobicContact CE2-CG 4.33Å; F285-L329 HydrophobicContact CG-CD2 3.87Å; F285-L329 HydrophobicContact CZ-CD1 3.89Å; F285-L329 HydrophobicContact CZ-CD2 3.77Å; F285-L329 HydrophobicContact CZ-CG 4.06Å; W308-L329 HydrophobicContact CH2-CD1 3.7Å; W308-L329 HydrophobicContact CH2-CD2 3.73Å; W308-L329 HydrophobicContact CH2-CG 4.32Å; W308-L329 HydrophobicContact CZ3-CD1 3.72Å; W308-L329 HydrophobicContact CZ3-CD2 4.39Å; L314-L329 HydrophobicContact CB-CB 4.12Å; L314-L329 WeakPolarHBondContact CB-O 3.17Å; L314-L329 PolarHBondContact O-N 3.03Å; L316-L329 HydrophobicContact CB-CD1 4.4Å
330R83.3Confident89.4Confident9 Ų926.1 Ų26.13%0.03413%0.127CC..EExtended strand (participates in β ladder)trans-114.1116.4175.8-173.4170.8-172.274.7-6.3109.1M1 F2 W606 S641 Y643 D658M1-R330 WeakPolarHBondContact CG-O 3.26Å; F2-R330 HydrophobicContact CB-CB 4.39Å; F2-R330 PolarHBondContact N-O 3.07Å; F2-R330 PolarHBondContact O-N 3.2Å; R330-W606 VanDerWaalsContact NE-CE3 3.29Å; R330-W606 VanDerWaalsContact NE-CZ2 3.27Å; R330-S641 PolarHBondContact NH1-O 3.49Å; R330-S641 PolarHBondContact NH2-O 3.06Å; R330-Y643 WeakPolarHBondContact CG-OH 3.13Å; R330-Y643 VanDerWaalsContact CZ-CZ 3.43Å; R330-Y643 PolarHBondContact NE-OH 3Å; R330-Y643 VanDerWaalsContact NH2-CZ 3.28Å; R330-D658 IonicContact CZ-OD2 3.23Å; R330-D658 IonicContact NH1-OD2 3.81Å; R330-D658 PolarHBondContact NH1-OD2 3.25Å; R330-D658 IonicContact NH2-OD2 3.86Å
331P78.2Confident88.8Confident20 Ų2029.6 Ų29.613%0.1314%0.143CC..  trans-67.5154.5179.727.9-30.9000110.3L314 Y333 Y643L314-P331 HydrophobicContact CD1-CB 4.26Å; L314-P331 HydrophobicContact CD1-CG 3.86Å; P331-Y333 HydrophobicContact CB-CE1 4.28Å; P331-Y333 HydrophobicContact CG-CD2 4.49Å; P331-Y333 HydrophobicContact CG-CE1 4Å; P331-Y333 HydrophobicContact CG-CE2 3.68Å; P331-Y333 WeakPolarHBondContact CG-OH 2.93Å; P331-Y643 PolarHBondContact O-OH 3.12Å
332Y81.2Confident88.6Confident108 Ų10830.1 Ų30.142%0.42415%0.146SC..  trans-99.997.4171.7178.5-121.5000108.5
333Y85.6Confident88.5Confident31 Ų3129.7 Ų29.712%0.12214%0.143CC..  trans-74.1147173.7-59.1-65.5000110.5P331 Y643 L657 D658 V661P331-Y333 HydrophobicContact CB-CE1 4.28Å; P331-Y333 HydrophobicContact CG-CD2 4.49Å; P331-Y333 HydrophobicContact CG-CE1 4Å; P331-Y333 HydrophobicContact CG-CE2 3.68Å; P331-Y333 WeakPolarHBondContact CG-OH 2.93Å; Y333-Y643 AromaticContact CD2-CE2 3.92Å; Y333-Y643 HydrophobicContact CD2-CE2 3.92Å; Y333-Y643 AromaticContact CD2-CZ 3.74Å; Y333-Y643 WeakPolarHBondContact CD2-OH 2.97Å; Y333-Y643 HydrophobicContact CE2-CE2 4.04Å; Y333-L657 HydrophobicContact CD2-CB 3.63Å; Y333-L657 HydrophobicContact CD2-CD1 4.05Å; Y333-L657 HydrophobicContact CD2-CG 4.5Å; Y333-L657 HydrophobicContact CE2-CB 3.89Å; Y333-L657 HydrophobicContact CG-CB 4.43Å; Y333-D658 VanDerWaalsContact CE2-OD1 3.24Å; Y333-D658 WeakPolarHBondContact CE2-OD1 3.35Å; Y333-D658 PolarHBondContact OH-OD1 3.09Å; Y333-V661 HydrophobicContact CD1-CG2 3.87Å; Y333-V661 HydrophobicContact CE1-CB 3.95Å; Y333-V661 HydrophobicContact CE1-CG1 3.83Å; Y333-V661 HydrophobicContact CE1-CG2 3.7Å; Y333-V661 HydrophobicContact CG-CG2 4.45Å
334K89.3Confident88.5Confident54 Ų5427.3 Ų27.324%0.23513%0.133CC..  trans-90.7110.6170.9-54.3177.9-175.7-168.90106.4N347 L376 I377 I379K334-N347 HydrophobicContact CB-CB 4.46Å; K334-N347 PolarHBondContact N-OD1 3.29Å; K334-N347 PolarHBondContact O-N 3.11Å; K334-N347 PolarHBondContact O-OD1 2.99Å; K334-N347 VanDerWaalsContact O-OD1 3.08Å; K334-L376 HydrophobicContact CB-CD2 4.24Å; K334-L376 HydrophobicContact CD-CD2 4.07Å; K334-L376 HydrophobicContact CD-CG 4.1Å; K334-L376 PolarHBondContact NZ-O 3.18Å; K334-I377 VanDerWaalsContact CD-O 3.3Å; K334-I377 WeakPolarHBondContact CD-O 3.48Å; K334-I377 WeakPolarHBondContact CE-O 3.33Å; K334-I377 PolarHBondContact NZ-O 2.96Å; K334-I379 HydrophobicContact CB-CD1 4.43Å; K334-I379 HydrophobicContact CB-CG1 4.24Å
335W93.6Very high88.5Confident46 Ų4627.3 Ų27.317%0.17413%0.133CC..EExtended strand (participates in β ladder)trans-153.7159.3-173.876.3-75.4000110.3I344 I345 V655 L657W335-I344 HydrophobicContact CE3-CG2 4.49Å; W335-I345 CarbonylContact C-O 3.5Å; W335-I345 WeakPolarHBondContact CA-O 3.44Å; W335-I345 VanDerWaalsContact CB-O 3.24Å; W335-I345 WeakPolarHBondContact CB-O 3.5Å; W335-V655 HydrophobicContact CH2-CG1 4.42Å; W335-V655 HydrophobicContact CZ3-CG1 4.13Å; W335-L657 HydrophobicContact CB-CD1 4.16Å; W335-L657 HydrophobicContact CD2-CD1 3.68Å; W335-L657 HydrophobicContact CE3-CD1 4.41Å; W335-L657 HydrophobicContact CG-CD1 3.51Å
336A93.4Very high88.5Confident12 Ų1226.8 Ų26.810%0.09913%0.131CC..EExtended strand (participates in β ladder)trans-148.6164.9176.500000111I345 I379 A381A336-I345 PolarHBondContact N-O 3.39Å; A336-I345 PolarHBondContact O-N 2.99Å; A336-I379 HydrophobicContact CB-CG2 3.77Å; A336-A381 HydrophobicContact CB-CB 3.57Å
337Y93.1Very high88.4Confident30 Ų3027 Ų2712%0.11813%0.132CC..EExtended strand (participates in β ladder)trans-127.2129.4175.7173.6-116.1000110.1T343 I344 L363 Y645 E646Y337-T343 WeakPolarHBondContact CD2-O 3Å; Y337-I344 HydrophobicContact CD2-CG1 3.98Å; Y337-I344 HydrophobicContact CE2-CG1 4.49Å; Y337-L363 HydrophobicContact CE2-CD1 4.33Å; Y337-Y645 AromaticContact CD1-CD2 3.67Å; Y337-Y645 HydrophobicContact CD1-CD2 3.67Å; Y337-Y645 HydrophobicContact CD1-CG 4.45Å; Y337-Y645 AromaticContact CD2-CD2 3.85Å; Y337-Y645 HydrophobicContact CD2-CD2 3.85Å; Y337-Y645 HydrophobicContact CD2-CE2 4.28Å; Y337-Y645 HydrophobicContact CD2-CG 4.49Å; Y337-Y645 AromaticContact CE1-CD2 3.6Å; Y337-Y645 HydrophobicContact CE1-CD2 3.6Å; Y337-Y645 HydrophobicContact CE1-CE2 4.05Å; Y337-Y645 AromaticContact CE2-CD2 3.81Å; Y337-Y645 HydrophobicContact CE2-CD2 3.81Å; Y337-Y645 AromaticContact CE2-CE2 3.82Å; Y337-Y645 HydrophobicContact CE2-CE2 3.82Å; Y337-Y645 AromaticContact CG-CD2 3.77Å; Y337-Y645 HydrophobicContact CG-CD2 3.77Å; Y337-Y645 HydrophobicContact CG-CG 4.3Å; Y337-Y645 AromaticContact CZ-CD2 3.66Å; Y337-Y645 AromaticContact CZ-CE2 3.67Å; Y337-E646 HydrophobicContact CE1-CB 4.02Å; Y337-E646 HydrophobicContact CE1-CG 4.48Å; Y337-E646 WeakPolarHBondContact CE1-OE2 3.39Å; Y337-E646 PolarHBondContact OH-OE2 2.84Å
338S90.9Very high88Confident0 Ų027.6 Ų27.60%013%0.134CC..EExtended strand (participates in β ladder)trans-98112.8171.3160.30000108.7N342 T343 E383 A406S338-N342 CarbonylContact O-C 3.48Å; S338-N342 VanDerWaalsContact O-CA 3.22Å; S338-N342 WeakPolarHBondContact O-CA 3.36Å; S338-N342 PolarHBondContact O-N 2.92Å; S338-T343 PolarHBondContact N-O 2.83Å; S338-T343 PolarHBondContact O-N 3.03Å; S338-E383 VanDerWaalsContact CB-O 3.31Å; S338-E383 WeakPolarHBondContact CB-O 3.32Å; S338-E383 PolarHBondContact OG-O 3.36Å; S338-A406 WeakPolarHBondContact OG-CB 3.47Å
339S84.4Confident87.2Confident53 Ų5330 Ų3037%0.37115%0.153SC..THydrogen-bonded Turntrans-78.5-25.9-171.956.10000114.6N342S339-N342 PolarHBondContact O-OD1 2.71Å
340T84.1Confident85.9Confident54 Ų5434.6 Ų34.633%0.33117%0.17SC..THydrogen-bonded Turntrans-76.4-47.8-179.448.70000111.4N342 K364 E383 D384T340-N342 VanDerWaalsContact C-N 3.35Å; T340-K364 PolarHBondContact O-NZ 2.9Å; T340-E383 HydrophobicContact CG2-CB 4Å; T340-E383 HydrophobicContact CG2-CG 4.36Å; T340-E383 PolarHBondContact OG1-O 3.49Å; T340-E383 VanDerWaalsContact OG1-O 3.07Å; T340-D384 WeakPolarHBondContact CB-OD1 3.36Å; T340-D384 PolarHBondContact OG1-N 3.3Å; T340-D384 PolarHBondContact OG1-OD1 3.01Å
341E82.6Confident84.4Confident72 Ų7237.9 Ų37.934%0.33619%0.193SC..THydrogen-bonded Turntrans-88.3-2.1179-69.2-62.3157.700113T343 N362 A406E341-T343 PolarHBondContact O-N 3.47Å; E341-T343 PolarHBondContact O-OG1 3.38Å; E341-N362 PolarHBondContact O-ND2 3.07Å; E341-A406 HydrophobicContact CB-CB 3.68Å; E341-A406 HydrophobicContact CG-CB 3.86Å
342N89.9Confident83Confident43 Ų4340.2 Ų40.223%0.2320%0.201CC..THydrogen-bonded Turntrans47.255.9-173.6-63.825.9000111.3S338 S339 T340 L363 K364S338-N342 CarbonylContact O-C 3.48Å; S338-N342 VanDerWaalsContact O-CA 3.22Å; S338-N342 WeakPolarHBondContact O-CA 3.36Å; S338-N342 PolarHBondContact O-N 2.92Å; S339-N342 PolarHBondContact O-OD1 2.71Å; T340-N342 VanDerWaalsContact C-N 3.35Å; N342-L363 HydrophobicContact CB-CB 4.2Å; N342-L363 VanDerWaalsContact O-CB 3.3Å; N342-L363 WeakPolarHBondContact O-CB 3.45Å; N342-L363 VanDerWaalsContact O-CG 3.26Å; N342-L363 WeakPolarHBondContact O-CG 3.31Å; N342-L363 PolarHBondContact O-N 3.37Å; N342-K364 HydrophobicContact CB-CD 4.33Å; N342-K364 HydrophobicContact CB-CG 4.15Å; N342-K364 VanDerWaalsContact CG-CE 3.42Å; N342-K364 WeakPolarHBondContact ND2-CE 3.26Å; N342-K364 WeakPolarHBondContact OD1-CE 3.48Å; N342-K364 PolarHBondContact OD1-NZ 3.29Å
343T92.5Very high81.7Confident0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-116.1126-177.8-57.10000110.5Y337 S338 E341 I345 F360 W361 N362 A406Y337-T343 WeakPolarHBondContact CD2-O 3Å; S338-T343 PolarHBondContact N-O 2.83Å; S338-T343 PolarHBondContact O-N 3.03Å; E341-T343 PolarHBondContact O-N 3.47Å; E341-T343 PolarHBondContact O-OG1 3.38Å; T343-I345 HydrophobicContact CG2-CD1 4.25Å; T343-I345 HydrophobicContact CG2-CG1 4.35Å; T343-I345 WeakPolarHBondContact O-CD1 3.35Å; T343-F360 HydrophobicContact CG2-CB 4.24Å; T343-W361 CarbonylContact C-O 3.55Å; T343-W361 VanDerWaalsContact CA-O 3.27Å; T343-W361 WeakPolarHBondContact CA-O 3.43Å; T343-W361 WeakPolarHBondContact CG2-O 3.49Å; T343-N362 PolarHBondContact OG1-ND2 2.88Å; T343-A406 WeakPolarHBondContact CG2-O 3.32Å
344I93.9Very high80.3Confident0 Ų040.9 Ų40.90%021%0.212CC..EExtended strand (participates in β ladder)trans-91126.6170.5-60.3-178.6000108.2W335 Y337 Y346 W361 L363 Y645 V655 L673W335-I344 HydrophobicContact CE3-CG2 4.49Å; Y337-I344 HydrophobicContact CD2-CG1 3.98Å; Y337-I344 HydrophobicContact CE2-CG1 4.49Å; I344-Y346 HydrophobicContact CG2-CD1 4.17Å; I344-W361 HydrophobicContact CB-CE3 4.27Å; I344-W361 HydrophobicContact CD1-CE3 4.15Å; I344-W361 HydrophobicContact CD1-CZ3 4.12Å; I344-W361 PolarHBondContact N-O 3.49Å; I344-W361 PolarHBondContact O-N 2.91Å; I344-L363 HydrophobicContact CD1-CD1 4.05Å; I344-L363 HydrophobicContact CD1-CD2 3.95Å; I344-L363 HydrophobicContact CD1-CG 4.42Å; I344-L363 HydrophobicContact CG1-CD1 4.11Å; I344-L363 HydrophobicContact CG1-CD2 4.13Å; I344-L363 HydrophobicContact CG1-CG 4.28Å; I344-Y645 HydrophobicContact CD1-CE1 4.3Å; I344-V655 HydrophobicContact CD1-CB 3.95Å; I344-V655 HydrophobicContact CD1-CG1 4.3Å; I344-V655 HydrophobicContact CD1-CG2 3.96Å; I344-L673 HydrophobicContact CD1-CD2 3.71Å
345I94.1Very high79.4Confident0 Ų041.1 Ų41.10%021%0.214CC..EExtended strand (participates in β ladder)trans-112120.4175.9-55.193000107.7W335 A336 T343 I358 T359 F360 I379 A381 V386W335-I345 CarbonylContact C-O 3.5Å; W335-I345 WeakPolarHBondContact CA-O 3.44Å; W335-I345 VanDerWaalsContact CB-O 3.24Å; W335-I345 WeakPolarHBondContact CB-O 3.5Å; A336-I345 PolarHBondContact N-O 3.39Å; A336-I345 PolarHBondContact O-N 2.99Å; T343-I345 HydrophobicContact CG2-CD1 4.25Å; T343-I345 HydrophobicContact CG2-CG1 4.35Å; T343-I345 WeakPolarHBondContact O-CD1 3.35Å; I345-I358 HydrophobicContact CG2-CG2 3.55Å; I345-T359 VanDerWaalsContact CA-O 3.31Å; I345-T359 WeakPolarHBondContact CA-O 3.4Å; I345-F360 HydrophobicContact CG1-CD1 3.64Å; I345-F360 HydrophobicContact CG1-CE1 3.91Å; I345-F360 HydrophobicContact CG1-CG 4.26Å; I345-F360 HydrophobicContact CG2-CD1 4.49Å; I345-F360 HydrophobicContact CG2-CE1 4.36Å; I345-F360 HydrophobicContact CG2-CZ 4.36Å; I345-I379 HydrophobicContact CG2-CD1 4.25Å; I345-I379 HydrophobicContact CG2-CG2 4.11Å; I345-A381 HydrophobicContact CD1-CB 4.49Å; I345-V386 HydrophobicContact CD1-CG1 4.45Å; I345-V386 HydrophobicContact CD1-CG2 3.52Å; I345-V386 HydrophobicContact CG1-CG1 4.26Å; I345-V386 HydrophobicContact CG1-CG2 3.93Å; I345-V386 HydrophobicContact CG2-CG1 4.35Å
346Y92.7Very high78.7Confident11 Ų1140.4 Ų40.44%0.04321%0.213CC..EExtended strand (participates in β ladder)trans-138148179.765.2-85.7000111.5I344 Y348 I358 T359 W361 L657 L660 V661I344-Y346 HydrophobicContact CG2-CD1 4.17Å; Y346-Y348 HydrophobicContact CD2-CD1 4.48Å; Y346-Y348 HydrophobicContact CE2-CD1 4.12Å; Y346-I358 WeakPolarHBondContact O-CA 3.37Å; Y346-T359 HydrophobicContact CE1-CG2 3.75Å; Y346-T359 PolarHBondContact N-O 3.4Å; Y346-T359 VanDerWaalsContact N-O 3.15Å; Y346-T359 PolarHBondContact O-N 2.83Å; Y346-W361 HydrophobicContact CE1-CB 4.5Å; Y346-L657 HydrophobicContact CG-CD2 4.44Å; Y346-L660 HydrophobicContact CE2-CB 4.33Å; Y346-V661 HydrophobicContact CD2-CG2 4.41Å
347N90.2Very high78.4Confident11 Ų1139.9 Ų39.96%0.05921%0.208CC..EExtended strand (participates in β ladder)trans-95.5149.6174.485.2-30.8000111.8K334 S357 I358 L376 I379K334-N347 HydrophobicContact CB-CB 4.46Å; K334-N347 PolarHBondContact N-OD1 3.29Å; K334-N347 PolarHBondContact O-N 3.11Å; K334-N347 PolarHBondContact O-OD1 2.99Å; K334-N347 VanDerWaalsContact O-OD1 3.08Å; N347-S357 CarbonylContact C-O 3.45Å; N347-S357 WeakPolarHBondContact CA-O 3.28Å; N347-I358 HydrophobicContact CB-CG1 4.47Å; N347-L376 HydrophobicContact CB-CD2 3.62Å; N347-I379 HydrophobicContact CB-CD1 4.27Å
348Y82.4Confident78.3Confident11 Ų1138.4 Ų38.44%0.04320%0.203CC..EExtended strand (participates in β ladder)trans-139.5137.5157.361.2-84.1000108.2Y346 R350 S357 T359 V664Y346-Y348 HydrophobicContact CD2-CD1 4.48Å; Y346-Y348 HydrophobicContact CE2-CD1 4.12Å; Y348-R350 HydrophobicContact CE2-CG 4.1Å; Y348-R350 PolarHBondContact O-N 2.92Å; Y348-S357 VanDerWaalsContact CE2-CB 3.49Å; Y348-S357 PolarHBondContact N-O 3.29Å; Y348-S357 PolarHBondContact O-N 2.86Å; Y348-T359 WeakPolarHBondContact CE1-OG1 3.3Å; Y348-V664 HydrophobicContact CD2-CG1 4.32Å; Y348-V664 HydrophobicContact CD2-CG2 4.05Å; Y348-V664 HydrophobicContact CE2-CG1 3.66Å; Y348-V664 HydrophobicContact CE2-CG2 4.22Å
349S69.5Low78.4Confident65 Ų6538.6 Ų38.646%0.45520%0.204SC..EExtended strand (participates in β ladder)trans-75.2126.9170.4-58.30000107.1P351 H356S349-P351 WeakPolarHBondContact O-CD 3.36Å; S349-H356 PolarHBondContact OG-CE1 3.44Å; S349-H356 VanDerWaalsContact OG-CE1 3.26Å; S349-H356 PolarHBondContact OG-ND1 3.5Å; S349-H356 VanDerWaalsContact OG-ND1 3.09Å
350R60.2Low78.8Confident96 Ų9636.3 Ų36.336%0.36219%0.187SC..PPolyproline II helixtrans-67.1123.3165.1-75.7179.1-173.8-178.2-1.2106Y348 H352 T353 E355 S357Y348-R350 HydrophobicContact CE2-CG 4.1Å; Y348-R350 PolarHBondContact O-N 2.92Å; R350-H352 PolarHBondContact O-N 2.85Å; R350-T353 WeakPolarHBondContact CB-OG1 3.42Å; R350-T353 PolarHBondContact O-N 3.3Å; R350-T353 PolarHBondContact O-OG1 3.07Å; R350-E355 PolarHBondContact N-O 2.92Å; R350-S357 PolarHBondContact NE-OG 3.49Å
351P51Low79.2Confident79 Ų7933.8 Ų33.851%0.51317%0.171SC..THydrogen-bonded Turntrans-57139.1177.530.8-36.4000106.9S349S349-P351 WeakPolarHBondContact O-CD 3.36Å
352H48.5Very low79.6Confident68 Ų6831.1 Ų31.132%0.31516%0.159SC..THydrogen-bonded Turntrans79.29.8-178.7-30.7-42000117.1Y218 R350Y218-H352 VanDerWaalsContact CB-CE1 3.48Å; Y218-H352 WeakPolarHBondContact CB-CE1 3.41Å; Y218-H352 WeakPolarHBondContact CB-ND1 3.44Å; Y218-H352 AromaticContact CD1-CD2 3.5Å; Y218-H352 AromaticContact CD1-CE1 2.81Å; Y218-H352 WeakPolarHBondContact CD1-CE1 3.49Å; Y218-H352 AromaticContact CD1-CG 3.79Å; Y218-H352 AromaticContact CD1-ND1 3.34Å; Y218-H352 VanDerWaalsContact CD1-ND1 3.34Å; Y218-H352 WeakPolarHBondContact CD1-ND1 3.45Å; Y218-H352 AromaticContact CD1-NE2 2.89Å; Y218-H352 WeakPolarHBondContact CD1-NE2 3.48Å; Y218-H352 AromaticContact CD2-CE1 3.22Å; Y218-H352 WeakPolarHBondContact CD2-CE1 3.5Å; Y218-H352 AromaticContact CD2-ND1 3.75Å; Y218-H352 AromaticContact CE1-CD2 3.84Å; Y218-H352 AromaticContact CE1-CE1 3.06Å; Y218-H352 WeakPolarHBondContact CE1-CE1 3.5Å; Y218-H352 AromaticContact CE1-NE2 2.86Å; Y218-H352 WeakPolarHBondContact CE1-NE2 3.33Å; Y218-H352 AromaticContact CE2-CE1 3.44Å; Y218-H352 VanDerWaalsContact CE2-CE1 3.44Å; Y218-H352 WeakPolarHBondContact CE2-CE1 3.34Å; Y218-H352 AromaticContact CG-CE1 2.84Å; Y218-H352 AromaticContact CG-CG 3.95Å; Y218-H352 AromaticContact CG-ND1 3.11Å; Y218-H352 AromaticContact CG-NE2 3.51Å; Y218-H352 AromaticContact CZ-CE1 3.35Å; Y218-H352 AromaticContact CZ-NE2 3.49Å; R350-H352 PolarHBondContact O-N 2.85Å
353T53.9Low79.6Confident59 Ų5930.3 Ų30.336%0.36216%0.155SC..SBendtrans-133.1149171.4640000110.8R350 E355R350-T353 WeakPolarHBondContact CB-OG1 3.42Å; R350-T353 PolarHBondContact O-N 3.3Å; R350-T353 PolarHBondContact O-OG1 3.07Å; T353-E355 PolarHBondContact O-N 3.47Å; T353-E355 PolarHBondContact OG1-N 3.36Å; T353-E355 PolarHBondContact OG1-O 2.96Å
354F57Low79.4Confident94 Ų9436.6 Ų36.641%0.41218%0.182SC..SBendtrans-75.26.9163.5-65.6-75.9000112.2L223 F289 H375L223-F354 HydrophobicContact CD2-CE1 4.21Å; L223-F354 HydrophobicContact CD2-CZ 3.95Å; F289-F354 HydrophobicContact CZ-CE1 4.02Å; F354-H375 AromaticContact CD1-CE1 3.77Å; F354-H375 AromaticContact CG-CE1 3.99Å; F354-H375 PolarHBondContact O-N 3.27Å
355E70.2Confident79Confident60 Ų6040.4 Ų40.428%0.2821%0.206SC..EExtended strand (participates in β ladder)trans-84.5127.3176.6-65.1177.8-174.700109.7R350 T353 V373 H374R350-E355 PolarHBondContact N-O 2.92Å; T353-E355 PolarHBondContact O-N 3.47Å; T353-E355 PolarHBondContact OG1-N 3.36Å; T353-E355 PolarHBondContact OG1-O 2.96Å; E355-V373 WeakPolarHBondContact CA-O 3.33Å; E355-H374 VanDerWaalsContact CG-CE1 3.41Å; E355-H374 WeakPolarHBondContact CG-CE1 3.46Å; E355-H374 IonicContact OE1-CE1 2.66Å; E355-H374 PolarHBondContact OE1-CE1 3.29Å
356H78.4Confident78.7Confident31 Ų3143.6 Ų43.614%0.14422%0.223CC..EExtended strand (participates in β ladder)trans-95.2126.3168.2-62-84.1000108.1S349 T372 V373 L376S349-H356 PolarHBondContact OG-CE1 3.44Å; S349-H356 VanDerWaalsContact OG-CE1 3.26Å; S349-H356 PolarHBondContact OG-ND1 3.5Å; S349-H356 VanDerWaalsContact OG-ND1 3.09Å; H356-T372 WeakPolarHBondContact O-CA 3.41Å; H356-V373 HydrophobicContact CB-CG2 4.17Å; H356-V373 PolarHBondContact N-O 3.45Å; H356-V373 PolarHBondContact O-N 3.31Å; H356-L376 HydrophobicContact CB-CB 3.88Å; H356-L376 HydrophobicContact CB-CD2 4.24Å; H356-L376 PolarHBondContact CD2-N 3.19Å; H356-L376 VanDerWaalsContact CD2-N 3.27Å
357S87.4Confident78.4Confident0 Ų049.6 Ų49.60%025%0.249CC..EExtended strand (participates in β ladder)trans-87.9129.1168.2-65.70000108.7N347 Y348 R350N347-S357 CarbonylContact C-O 3.45Å; N347-S357 WeakPolarHBondContact CA-O 3.28Å; Y348-S357 VanDerWaalsContact CE2-CB 3.49Å; Y348-S357 PolarHBondContact N-O 3.29Å; Y348-S357 PolarHBondContact O-N 2.86Å; R350-S357 PolarHBondContact NE-OG 3.49Å
358I91.3Very high78.3Confident0 Ų051.1 Ų51.10%026%0.259CS..EExtended strand (participates in β ladder)trans-116118.7-178.8-60.5169.9000107.7I345 Y346 N347 F360 I370 I371 V373 L376 I379 L388I345-I358 HydrophobicContact CG2-CG2 3.55Å; Y346-I358 WeakPolarHBondContact O-CA 3.37Å; N347-I358 HydrophobicContact CB-CG1 4.47Å; I358-F360 HydrophobicContact CG2-CD2 4.34Å; I358-F360 HydrophobicContact CG2-CE2 3.85Å; I358-F360 HydrophobicContact CG2-CZ 4.5Å; I358-I370 WeakPolarHBondContact O-CA 3.39Å; I358-I371 PolarHBondContact N-O 2.9Å; I358-I371 PolarHBondContact O-N 3.49Å; I358-V373 HydrophobicContact CD1-CB 4.47Å; I358-V373 HydrophobicContact CD1-CG1 4.12Å; I358-V373 HydrophobicContact CD1-CG2 3.47Å; I358-V373 VanDerWaalsContact CD1-CG2 3.47Å; I358-V373 HydrophobicContact CG1-CG2 4.29Å; I358-L376 HydrophobicContact CD1-CD1 3.98Å; I358-L376 HydrophobicContact CD1-CD2 4.05Å; I358-L376 HydrophobicContact CG1-CD2 4.23Å; I358-I379 HydrophobicContact CD1-CD1 4.44Å; I358-I379 HydrophobicContact CG1-CD1 4.43Å; I358-I379 HydrophobicContact CG2-CD1 4.21Å; I358-L388 HydrophobicContact CD1-CD1 3.45Å; I358-L388 VanDerWaalsContact CD1-CD1 3.45Å; I358-L388 HydrophobicContact CD1-CD2 3.9Å; I358-L388 HydrophobicContact CD1-CG 4.24Å; I358-L388 HydrophobicContact CG2-CD2 4.35Å
359T92Very high78.6Confident4 Ų454.8 Ų54.83%0.02528%0.275CS..EExtended strand (participates in β ladder)trans-101.6122.9179.5-58.40000109.9I345 Y346 Y348 W361 T368 I370I345-T359 VanDerWaalsContact CA-O 3.31Å; I345-T359 WeakPolarHBondContact CA-O 3.4Å; Y346-T359 HydrophobicContact CE1-CG2 3.75Å; Y346-T359 PolarHBondContact N-O 3.4Å; Y346-T359 VanDerWaalsContact N-O 3.15Å; Y346-T359 PolarHBondContact O-N 2.83Å; Y348-T359 WeakPolarHBondContact CE1-OG1 3.3Å; T359-W361 HydrophobicContact CG2-CB 4.44Å; T359-T368 HydrophobicContact CG2-CG2 4.06Å; T359-I370 HydrophobicContact CG2-CG1 4.36Å
360F93.1Very high79.6Confident4 Ų455.6 Ų55.62%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-92.9107166.3-66.4-106.1000107.9T343 I345 I358 T368 K369 I371 V386 Y404 A406T343-F360 HydrophobicContact CG2-CB 4.24Å; I345-F360 HydrophobicContact CG1-CD1 3.64Å; I345-F360 HydrophobicContact CG1-CE1 3.91Å; I345-F360 HydrophobicContact CG1-CG 4.26Å; I345-F360 HydrophobicContact CG2-CD1 4.49Å; I345-F360 HydrophobicContact CG2-CE1 4.36Å; I345-F360 HydrophobicContact CG2-CZ 4.36Å; I358-F360 HydrophobicContact CG2-CD2 4.34Å; I358-F360 HydrophobicContact CG2-CE2 3.85Å; I358-F360 HydrophobicContact CG2-CZ 4.5Å; F360-T368 CarbonylContact O-C 3.45Å; F360-T368 VanDerWaalsContact O-CA 3.24Å; F360-T368 WeakPolarHBondContact O-CA 3.48Å; F360-K369 HydrophobicContact CB-CB 4.35Å; F360-K369 PolarHBondContact N-O 2.88Å; F360-K369 PolarHBondContact O-N 3.03Å; F360-I371 HydrophobicContact CD2-CD1 4.19Å; F360-I371 HydrophobicContact CD2-CG1 4.42Å; F360-I371 HydrophobicContact CE2-CD1 3.58Å; F360-I371 HydrophobicContact CE2-CG1 4.12Å; F360-I371 HydrophobicContact CZ-CD1 4.27Å; F360-V386 HydrophobicContact CE1-CB 4.06Å; F360-V386 HydrophobicContact CE1-CG1 4.13Å; F360-V386 HydrophobicContact CE1-CG2 4Å; F360-V386 HydrophobicContact CZ-CG1 4.41Å; F360-Y404 HydrophobicContact CZ-CD1 4.44Å; F360-Y404 HydrophobicContact CZ-CG 4.2Å; F360-A406 WeakPolarHBondContact CD1-O 3.41Å
361W92.7Very high81Confident1 Ų152.4 Ų52.40%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-110.1108.1-179.6175.532.5000110.9T343 I344 Y346 T359 L363 N366 T368 L660 P668 N669 F672 L673T343-W361 CarbonylContact C-O 3.55Å; T343-W361 VanDerWaalsContact CA-O 3.27Å; T343-W361 WeakPolarHBondContact CA-O 3.43Å; T343-W361 WeakPolarHBondContact CG2-O 3.49Å; I344-W361 HydrophobicContact CB-CE3 4.27Å; I344-W361 HydrophobicContact CD1-CE3 4.15Å; I344-W361 HydrophobicContact CD1-CZ3 4.12Å; I344-W361 PolarHBondContact N-O 3.49Å; I344-W361 PolarHBondContact O-N 2.91Å; Y346-W361 HydrophobicContact CE1-CB 4.5Å; T359-W361 HydrophobicContact CG2-CB 4.44Å; W361-L363 HydrophobicContact CD2-CD2 3.63Å; W361-L363 HydrophobicContact CE3-CD2 3.76Å; W361-L363 HydrophobicContact CG-CD2 4.29Å; W361-L363 HydrophobicContact CH2-CD2 3.91Å; W361-L363 HydrophobicContact CZ2-CD2 3.76Å; W361-L363 HydrophobicContact CZ3-CD2 3.91Å; W361-N366 PolarHBondContact NE1-OD1 2.93Å; W361-T368 HydrophobicContact CB-CG2 4.09Å; W361-T368 HydrophobicContact CG-CG2 4.17Å; W361-L660 HydrophobicContact CZ3-CD1 4.17Å; W361-P668 HydrophobicContact CB-CG 4.25Å; W361-P668 HydrophobicContact CD2-CB 3.75Å; W361-P668 HydrophobicContact CD2-CG 3.65Å; W361-P668 HydrophobicContact CE3-CB 3.97Å; W361-P668 HydrophobicContact CE3-CG 4.28Å; W361-P668 HydrophobicContact CG-CB 4.27Å; W361-P668 HydrophobicContact CG-CG 3.62Å; W361-P668 HydrophobicContact CH2-CB 4.1Å; W361-P668 HydrophobicContact CZ2-CB 3.9Å; W361-P668 HydrophobicContact CZ2-CG 4.43Å; W361-P668 HydrophobicContact CZ3-CB 4.14Å; W361-N669 WeakPolarHBondContact CH2-O 3.44Å; W361-N669 WeakPolarHBondContact CZ2-O 3.22Å; W361-F672 HydrophobicContact CH2-CB 4.47Å; W361-L673 HydrophobicContact CH2-CD1 4.02Å; W361-L673 HydrophobicContact CH2-CD2 3.75Å; W361-L673 HydrophobicContact CH2-CG 3.72Å; W361-L673 HydrophobicContact CZ2-CD1 4.4Å; W361-L673 HydrophobicContact CZ3-CD2 3.79Å; W361-L673 HydrophobicContact CZ3-CG 4.28Å
362N90.9Very high82.7Confident16 Ų1652 Ų529%0.08626%0.26CS..EExtended strand (participates in β ladder)trans-83.8115.6178.2-176.4-71.9000110.2E341 T343 K364 T365 N366 K367E341-N362 PolarHBondContact O-ND2 3.07Å; T343-N362 PolarHBondContact OG1-ND2 2.88Å; N362-K364 VanDerWaalsContact C-N 3.33Å; N362-K364 PolarHBondContact O-N 3.23Å; N362-K364 PolarHBondContact OD1-N 3.25Å; N362-K364 VanDerWaalsContact OD1-N 3.11Å; N362-T365 WeakPolarHBondContact CB-OG1 3.44Å; N362-T365 VanDerWaalsContact CG-OG1 3.28Å; N362-T365 PolarHBondContact OD1-N 2.97Å; N362-T365 PolarHBondContact OD1-OG1 3.46Å; N362-N366 WeakPolarHBondContact O-CA 3.48Å; N362-N366 PolarHBondContact O-N 3.32Å; N362-K367 PolarHBondContact N-O 3.49Å
363L90Very high84.5Confident27 Ų2749.7 Ų49.714%0.14125%0.25CS..THydrogen-bonded Turntrans-71.9-24.2-173.7-56.9-175000113.3Y337 N342 I344 W361 L673Y337-L363 HydrophobicContact CE2-CD1 4.33Å; N342-L363 HydrophobicContact CB-CB 4.2Å; N342-L363 VanDerWaalsContact O-CB 3.3Å; N342-L363 WeakPolarHBondContact O-CB 3.45Å; N342-L363 VanDerWaalsContact O-CG 3.26Å; N342-L363 WeakPolarHBondContact O-CG 3.31Å; N342-L363 PolarHBondContact O-N 3.37Å; I344-L363 HydrophobicContact CD1-CD1 4.05Å; I344-L363 HydrophobicContact CD1-CD2 3.95Å; I344-L363 HydrophobicContact CD1-CG 4.42Å; I344-L363 HydrophobicContact CG1-CD1 4.11Å; I344-L363 HydrophobicContact CG1-CD2 4.13Å; I344-L363 HydrophobicContact CG1-CG 4.28Å; W361-L363 HydrophobicContact CD2-CD2 3.63Å; W361-L363 HydrophobicContact CE3-CD2 3.76Å; W361-L363 HydrophobicContact CG-CD2 4.29Å; W361-L363 HydrophobicContact CH2-CD2 3.91Å; W361-L363 HydrophobicContact CZ2-CD2 3.76Å; W361-L363 HydrophobicContact CZ3-CD2 3.91Å; L363-L673 HydrophobicContact CD1-CD1 4.26Å; L363-L673 HydrophobicContact CD1-CD2 4.47Å; L363-L673 HydrophobicContact CD2-CD1 3.91Å; L363-L673 HydrophobicContact CD2-CD2 4.2Å
364K87.4Confident85.7Confident131 Ų13152 Ų5257%0.5726%0.256SS*.THydrogen-bonded Turntrans-78.7-40.8179.6-71.7171.2-1801570112T340 N342 N362T340-K364 PolarHBondContact O-NZ 2.9Å; N342-K364 HydrophobicContact CB-CD 4.33Å; N342-K364 HydrophobicContact CB-CG 4.15Å; N342-K364 VanDerWaalsContact CG-CE 3.42Å; N342-K364 WeakPolarHBondContact ND2-CE 3.26Å; N342-K364 WeakPolarHBondContact OD1-CE 3.48Å; N342-K364 PolarHBondContact OD1-NZ 3.29Å; N362-K364 VanDerWaalsContact C-N 3.33Å; N362-K364 PolarHBondContact O-N 3.23Å; N362-K364 PolarHBondContact OD1-N 3.25Å; N362-K364 VanDerWaalsContact OD1-N 3.11Å
365T86.7Confident86.7Confident81 Ų8151 Ų5150%0.49725%0.253SS..THydrogen-bonded Turntrans-98.4-10.8-176.560.80000113.3N362 K367N362-T365 WeakPolarHBondContact CB-OG1 3.44Å; N362-T365 VanDerWaalsContact CG-OG1 3.28Å; N362-T365 PolarHBondContact OD1-N 2.97Å; N362-T365 PolarHBondContact OD1-OG1 3.46Å; T365-K367 PolarHBondContact O-N 2.87Å; T365-K367 VanDerWaalsContact O-N 3.09Å; T365-K367 PolarHBondContact OG1-N 3.35Å
366N86.7Confident87.5Confident66 Ų6648.4 Ų48.435%0.35324%0.241SC..  trans5222.2-169.9-156.734.9000114.4W361 N362 Q667 P668W361-N366 PolarHBondContact NE1-OD1 2.93Å; N362-N366 WeakPolarHBondContact O-CA 3.48Å; N362-N366 PolarHBondContact O-N 3.32Å; N366-Q667 PolarHBondContact O-NE2 2.78Å; N366-P668 PolarHBondContact OD1-O 3.36Å
367K86.5Confident87.9Confident138 Ų13848 Ų4860%0.624%0.24SC*.  trans-86.8145.8175.8-68.3-174.8179.2-177.60110.1N362 T365N362-K367 PolarHBondContact N-O 3.49Å; T365-K367 PolarHBondContact O-N 2.87Å; T365-K367 VanDerWaalsContact O-N 3.09Å; T365-K367 PolarHBondContact OG1-N 3.35Å
368T89Confident88.1Confident43 Ų4348.7 Ų48.726%0.26424%0.243SC..EExtended strand (participates in β ladder)trans-120145.7176.1490000110.4T359 F360 W361 Q667 P668T359-T368 HydrophobicContact CG2-CG2 4.06Å; F360-T368 CarbonylContact O-C 3.45Å; F360-T368 VanDerWaalsContact O-CA 3.24Å; F360-T368 WeakPolarHBondContact O-CA 3.48Å; W361-T368 HydrophobicContact CB-CG2 4.09Å; W361-T368 HydrophobicContact CG-CG2 4.17Å; T368-Q667 VanDerWaalsContact OG1-CD 3.29Å; T368-Q667 PolarHBondContact OG1-NE2 3.17Å; T368-Q667 PolarHBondContact OG1-OE1 3.48Å; T368-P668 HydrophobicContact CG2-CG 3.46Å; T368-P668 VanDerWaalsContact CG2-CG 3.46Å
369K88.4Confident88.2Confident87 Ų8749 Ų4938%0.37825%0.245SC..EExtended strand (participates in β ladder)trans-128.6131.2165.8-171.1179.7-173.2-179.90108.6F360 I407 G408F360-K369 HydrophobicContact CB-CB 4.35Å; F360-K369 PolarHBondContact N-O 2.88Å; F360-K369 PolarHBondContact O-N 3.03Å; K369-I407 WeakPolarHBondContact CD-O 3.48Å; K369-G408 WeakPolarHBondContact CE-O 3.4Å; K369-G408 PolarHBondContact NZ-O 3.39Å
370I89.6Confident88.3Confident83 Ų8349.2 Ų49.243%0.42625%0.246SC..EExtended strand (participates in β ladder)trans-111.3132.4-179.5-56.7174.4000108.4I358 T359I358-I370 WeakPolarHBondContact O-CA 3.39Å; T359-I370 HydrophobicContact CG2-CG1 4.36Å
371I90.2Very high88.2Confident29 Ų2950 Ų5015%0.14925%0.254CS..EExtended strand (participates in β ladder)trans-124.1142.3175-52.5-179.2000107.9I358 F360 V373 Y404 G408I358-I371 PolarHBondContact N-O 2.9Å; I358-I371 PolarHBondContact O-N 3.49Å; F360-I371 HydrophobicContact CD2-CD1 4.19Å; F360-I371 HydrophobicContact CD2-CG1 4.42Å; F360-I371 HydrophobicContact CE2-CD1 3.58Å; F360-I371 HydrophobicContact CE2-CG1 4.12Å; F360-I371 HydrophobicContact CZ-CD1 4.27Å; I371-V373 HydrophobicContact CG2-CG1 4.41Å; I371-Y404 HydrophobicContact CD1-CD1 3.82Å; I371-Y404 HydrophobicContact CD1-CE1 3.49Å; I371-Y404 VanDerWaalsContact CD1-CE1 3.49Å; I371-G408 WeakPolarHBondContact CD1-O 3.42Å
372T86.7Confident88Confident71 Ų7150.4 Ų50.444%0.43626%0.257SS..EExtended strand (participates in β ladder)trans-106.3134.2174.747.30000110.2H356H356-T372 WeakPolarHBondContact O-CA 3.41Å
373V86.1Confident87.7Confident18 Ų1853.8 Ų53.811%0.10927%0.272CS..EExtended strand (participates in β ladder)trans-134.3151.1176.9-59.20000110.5E355 H356 I358 I371 L376 L388E355-V373 WeakPolarHBondContact CA-O 3.33Å; H356-V373 HydrophobicContact CB-CG2 4.17Å; H356-V373 PolarHBondContact N-O 3.45Å; H356-V373 PolarHBondContact O-N 3.31Å; I358-V373 HydrophobicContact CD1-CB 4.47Å; I358-V373 HydrophobicContact CD1-CG1 4.12Å; I358-V373 HydrophobicContact CD1-CG2 3.47Å; I358-V373 VanDerWaalsContact CD1-CG2 3.47Å; I358-V373 HydrophobicContact CG1-CG2 4.29Å; I371-V373 HydrophobicContact CG2-CG1 4.41Å; V373-L376 HydrophobicContact CG2-CB 4.01Å; V373-L376 HydrophobicContact CG2-CD1 4.31Å; V373-L388 HydrophobicContact CG1-CD1 4.31Å
374H78.8Confident87.5Confident107 Ų10753.8 Ų53.850%0.49527%0.272SS..EExtended strand (participates in β ladder)trans-89137.7172.4-64.4-70.5000110.5E355 L376E355-H374 VanDerWaalsContact CG-CE1 3.41Å; E355-H374 WeakPolarHBondContact CG-CE1 3.46Å; E355-H374 IonicContact OE1-CE1 2.66Å; E355-H374 PolarHBondContact OE1-CE1 3.29Å; H374-L376 PolarHBondContact O-N 2.98Å
375H78.5Confident87.6Confident74 Ų7448.5 Ų48.534%0.34325%0.249SC..SBendtrans4663.9174-61-70.5000114.6F354 I377 C390 K391F354-H375 AromaticContact CD1-CE1 3.77Å; F354-H375 AromaticContact CG-CE1 3.99Å; F354-H375 PolarHBondContact O-N 3.27Å; H375-I377 PolarHBondContact O-N 2.91Å; H375-C390 WeakPolarHBondContact O-CA 3.47Å; H375-K391 HydrophobicContact CB-CB 3.91Å; H375-K391 WeakPolarHBondContact CB-O 3.38Å; H375-K391 PolarHBondContact O-N 3.39Å
376L86.8Confident87.9Confident5 Ų544.6 Ų44.63%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-65.6122.9173.8178.768.6000110K334 N347 H356 I358 V373 H374 D378 I379K334-L376 HydrophobicContact CB-CD2 4.24Å; K334-L376 HydrophobicContact CD-CD2 4.07Å; K334-L376 HydrophobicContact CD-CG 4.1Å; K334-L376 PolarHBondContact NZ-O 3.18Å; N347-L376 HydrophobicContact CB-CD2 3.62Å; H356-L376 HydrophobicContact CB-CB 3.88Å; H356-L376 HydrophobicContact CB-CD2 4.24Å; H356-L376 PolarHBondContact CD2-N 3.19Å; H356-L376 VanDerWaalsContact CD2-N 3.27Å; I358-L376 HydrophobicContact CD1-CD1 3.98Å; I358-L376 HydrophobicContact CD1-CD2 4.05Å; I358-L376 HydrophobicContact CG1-CD2 4.23Å; V373-L376 HydrophobicContact CG2-CB 4.01Å; V373-L376 HydrophobicContact CG2-CD1 4.31Å; H374-L376 PolarHBondContact O-N 2.98Å; L376-D378 WeakPolarHBondContact CD1-O 3.38Å; L376-I379 HydrophobicContact CD1-CG1 4.01Å; L376-I379 HydrophobicContact CD2-CD1 3.9Å; L376-I379 HydrophobicContact CD2-CG1 3.96Å; L376-I379 HydrophobicContact CG-CG1 4.42Å
377I87.5Confident88.3Confident24 Ų2441.5 Ų41.512%0.12321%0.208CC..EExtended strand (participates in β ladder)trans-89.5-50.7175.7-65.3161.5000110.6K334 H375 I389 K391 V399 E419 P420K334-I377 VanDerWaalsContact CD-O 3.3Å; K334-I377 WeakPolarHBondContact CD-O 3.48Å; K334-I377 WeakPolarHBondContact CE-O 3.33Å; K334-I377 PolarHBondContact NZ-O 2.96Å; H375-I377 PolarHBondContact O-N 2.91Å; I377-I389 HydrophobicContact CB-CB 4.37Å; I377-I389 HydrophobicContact CB-CG2 3.93Å; I377-I389 WeakPolarHBondContact CB-O 3.2Å; I377-I389 HydrophobicContact CD1-CG2 4.18Å; I377-I389 HydrophobicContact CG2-CG2 4.26Å; I377-I389 PolarHBondContact N-O 2.95Å; I377-K391 HydrophobicContact CD1-CB 3.96Å; I377-K391 HydrophobicContact CG1-CB 4.42Å; I377-V399 HydrophobicContact CD1-CB 4.3Å; I377-V399 HydrophobicContact CD1-CG1 3.72Å; I377-V399 HydrophobicContact CD1-CG2 3.53Å; I377-E419 HydrophobicContact CD1-CG 3.95Å; I377-E419 HydrophobicContact CG1-CG 4.49Å; I377-P420 HydrophobicContact CG2-CG 4.16Å; I377-P420 WeakPolarHBondContact CG2-O 3.41Å
378D91.2Very high88.6Confident13 Ų1334.9 Ų34.97%0.0718%0.18CC..EExtended strand (participates in β ladder)trans-157.4164.1-177.5-160.513.5000112.3L376 I389 S423L376-D378 WeakPolarHBondContact CD1-O 3.38Å; D378-I389 HydrophobicContact CB-CB 4.43Å; D378-I389 HydrophobicContact CB-CD1 4.26Å; D378-I389 PolarHBondContact N-O 2.99Å; D378-I389 PolarHBondContact O-N 2.92Å; D378-S423 WeakPolarHBondContact OD2-CB 3.28Å; D378-S423 PolarHBondContact OD2-N 3.43Å; D378-S423 PolarHBondContact OD2-OG 3.35Å
379I93.9Very high88.9Confident7 Ų732.9 Ų32.94%0.03617%0.167CC..EExtended strand (participates in β ladder)trans-130.2124.9174-56.2-174.6000108.3K334 A336 I345 N347 I358 L376 V386 L388K334-I379 HydrophobicContact CB-CD1 4.43Å; K334-I379 HydrophobicContact CB-CG1 4.24Å; A336-I379 HydrophobicContact CB-CG2 3.77Å; I345-I379 HydrophobicContact CG2-CD1 4.25Å; I345-I379 HydrophobicContact CG2-CG2 4.11Å; N347-I379 HydrophobicContact CB-CD1 4.27Å; I358-I379 HydrophobicContact CD1-CD1 4.44Å; I358-I379 HydrophobicContact CG1-CD1 4.43Å; I358-I379 HydrophobicContact CG2-CD1 4.21Å; L376-I379 HydrophobicContact CD1-CG1 4.01Å; L376-I379 HydrophobicContact CD2-CD1 3.9Å; L376-I379 HydrophobicContact CD2-CG1 3.96Å; L376-I379 HydrophobicContact CG-CG1 4.42Å; I379-V386 HydrophobicContact CG2-CG1 4.07Å; I379-L388 HydrophobicContact CB-CD2 4.43Å; I379-L388 HydrophobicContact CD1-CD2 4.13Å; I379-L388 HydrophobicContact CG1-CD2 3.9Å; I379-L388 HydrophobicContact CG2-CD2 4Å
380C93.2Very high89Confident8 Ų829.4 Ų29.45%0.05415%0.154CC..EExtended strand (participates in β ladder)trans-125.5151.2168.1530000110.9V386 C387 S423 M425C380-V386 CarbonylContact O-C 3.47Å; C380-V386 WeakPolarHBondContact O-CA 3.41Å; C380-C387 PolarHBondContact N-O 3.17Å; C380-C387 VanDerWaalsContact N-O 3.14Å; C380-C387 PolarHBondContact O-N 3.41Å; C380-S423 PolarHBondContact SG-OG 3.13Å; C380-S423 VanDerWaalsContact SG-OG 3.39Å; C380-M425 HydrophobicContact CB-CB 4.13Å
381A92.4Very high88.7Confident21 Ų2128.6 Ų28.617%0.17415%0.147CC..EExtended strand (participates in β ladder)trans-140.1148.7177.700000110.5A336 I345 Y385 V386A336-A381 HydrophobicContact CB-CB 3.57Å; I345-A381 HydrophobicContact CD1-CB 4.49Å; A381-Y385 WeakPolarHBondContact CA-O 3.25Å; A381-V386 HydrophobicContact CB-CB 4.49Å; A381-V386 HydrophobicContact CB-CG2 3.97Å
382S88.2Confident88Confident10 Ų1028.2 Ų28.27%0.0715%0.147CC..EExtended strand (participates in β ladder)trans-151.9131.7172.4-161.70000109.1D384 Y385 M425 T426 S427S382-D384 PolarHBondContact O-N 2.99Å; S382-Y385 PolarHBondContact N-O 3.33Å; S382-Y385 PolarHBondContact O-N 3.17Å; S382-M425 WeakPolarHBondContact CB-O 3.48Å; S382-M425 PolarHBondContact OG-O 3.48Å; S382-T426 VanDerWaalsContact OG-C 3.28Å; S382-T426 WeakPolarHBondContact OG-CA 3.34Å; S382-S427 PolarHBondContact OG-N 3.28Å
383E85.1Confident87.1Confident86 Ų8629.4 Ų29.440%0.40216%0.158SC..THydrogen-bonded Turntrans47.5-122.3-177.5-60.2-178-179.700111.3S338 T340 Y385 S427S338-E383 VanDerWaalsContact CB-O 3.31Å; S338-E383 WeakPolarHBondContact CB-O 3.32Å; S338-E383 PolarHBondContact OG-O 3.36Å; T340-E383 HydrophobicContact CG2-CB 4Å; T340-E383 HydrophobicContact CG2-CG 4.36Å; T340-E383 PolarHBondContact OG1-O 3.49Å; T340-E383 VanDerWaalsContact OG1-O 3.07Å; E383-Y385 VanDerWaalsContact C-N 3.28Å; E383-Y385 PolarHBondContact O-N 3.45Å; E383-S427 WeakPolarHBondContact OE1-CB 3.29Å; E383-S427 VanDerWaalsContact OE2-CB 3.24Å; E383-S427 WeakPolarHBondContact OE2-CB 3.46Å
384D85.7Confident86.1Confident27 Ų2732.5 Ų32.514%0.14417%0.174CC..THydrogen-bonded Turntrans-81.9-1.8-173.9-57.7-20.4000113.6T340 S382 A406 K447T340-D384 WeakPolarHBondContact CB-OD1 3.36Å; T340-D384 PolarHBondContact OG1-N 3.3Å; T340-D384 PolarHBondContact OG1-OD1 3.01Å; S382-D384 PolarHBondContact O-N 2.99Å; D384-A406 PolarHBondContact O-N 3.44Å; D384-K447 IonicContact OD2-NZ 3.92Å; D384-K447 PolarHBondContact OD2-NZ 3.02Å
385Y89.3Confident85.1Confident20 Ų2033.2 Ų33.28%0.07819%0.186CC..EExtended strand (participates in β ladder)trans-125150.1-165.9-55.3-75000113.3A381 S382 E383 M403 Y404 I411 M425 Y443 T445A381-Y385 WeakPolarHBondContact CA-O 3.25Å; S382-Y385 PolarHBondContact N-O 3.33Å; S382-Y385 PolarHBondContact O-N 3.17Å; E383-Y385 VanDerWaalsContact C-N 3.28Å; E383-Y385 PolarHBondContact O-N 3.45Å; Y385-M403 HydrophobicContact CD1-CE 4.12Å; Y385-M403 HydrophobicContact CG-CE 4.2Å; Y385-Y404 WeakPolarHBondContact CA-O 3.34Å; Y385-I411 HydrophobicContact CD1-CD1 3.53Å; Y385-I411 HydrophobicContact CE1-CD1 3.62Å; Y385-M425 VanDerWaalsContact CB-CE 3.43Å; Y385-M425 HydrophobicContact CG-CE 4.41Å; Y385-Y443 HydrophobicContact CD2-CE2 4.18Å; Y385-Y443 HydrophobicContact CE2-CE2 4.45Å; Y385-T445 HydrophobicContact CD2-CG2 4.42Å; Y385-T445 HydrophobicContact CE2-CG2 3.51Å
386V92.7Very high84.2Confident0 Ų035.1 Ų35.10%021%0.207CC..EExtended strand (participates in β ladder)trans-133134.5-179.9-177.90000108I345 F360 I379 C380 A381 L388 M403 Y404I345-V386 HydrophobicContact CD1-CG1 4.45Å; I345-V386 HydrophobicContact CD1-CG2 3.52Å; I345-V386 HydrophobicContact CG1-CG1 4.26Å; I345-V386 HydrophobicContact CG1-CG2 3.93Å; I345-V386 HydrophobicContact CG2-CG1 4.35Å; F360-V386 HydrophobicContact CE1-CB 4.06Å; F360-V386 HydrophobicContact CE1-CG1 4.13Å; F360-V386 HydrophobicContact CE1-CG2 4Å; F360-V386 HydrophobicContact CZ-CG1 4.41Å; I379-V386 HydrophobicContact CG2-CG1 4.07Å; C380-V386 CarbonylContact O-C 3.47Å; C380-V386 WeakPolarHBondContact O-CA 3.41Å; A381-V386 HydrophobicContact CB-CB 4.49Å; A381-V386 HydrophobicContact CB-CG2 3.97Å; V386-L388 HydrophobicContact CG1-CD2 4.15Å; V386-M403 CarbonylContact O-C 3.51Å; V386-M403 WeakPolarHBondContact O-CA 3.36Å; V386-Y404 PolarHBondContact N-O 3.3Å; V386-Y404 PolarHBondContact O-N 3.33Å
387C93.7Very high83.1Confident0 Ų038.3 Ų38.30%022%0.222CC..EExtended strand (participates in β ladder)trans-112.3127.4173-174.70000109.7C380 T402 M425 I430C380-C387 PolarHBondContact N-O 3.17Å; C380-C387 VanDerWaalsContact N-O 3.14Å; C380-C387 PolarHBondContact O-N 3.41Å; C387-T402 WeakPolarHBondContact CA-O 3.17Å; C387-M425 HydrophobicContact CB-SD 4.14Å; C387-I430 HydrophobicContact CB-CD1 3.9Å; C387-I430 HydrophobicContact CB-CG1 4.32Å
388L94.5Very high82.7Confident0 Ų038.2 Ų38.20%023%0.227CC..EExtended strand (participates in β ladder)trans-102.3128.5172.3-56.6-172.7000109.3I358 V373 I379 V386 T402 Y404I358-L388 HydrophobicContact CD1-CD1 3.45Å; I358-L388 VanDerWaalsContact CD1-CD1 3.45Å; I358-L388 HydrophobicContact CD1-CD2 3.9Å; I358-L388 HydrophobicContact CD1-CG 4.24Å; I358-L388 HydrophobicContact CG2-CD2 4.35Å; V373-L388 HydrophobicContact CG1-CD1 4.31Å; I379-L388 HydrophobicContact CB-CD2 4.43Å; I379-L388 HydrophobicContact CD1-CD2 4.13Å; I379-L388 HydrophobicContact CG1-CD2 3.9Å; I379-L388 HydrophobicContact CG2-CD2 4Å; V386-L388 HydrophobicContact CG1-CD2 4.15Å; L388-T402 PolarHBondContact N-O 3.18Å; L388-T402 PolarHBondContact O-N 3.5Å; L388-Y404 HydrophobicContact CB-CD2 4.38Å; L388-Y404 HydrophobicContact CB-CE2 4.06Å; L388-Y404 HydrophobicContact CD1-CD2 3.83Å; L388-Y404 HydrophobicContact CD1-CE2 3.39Å; L388-Y404 HydrophobicContact CG-CD2 3.73Å; L388-Y404 HydrophobicContact CG-CE2 3.67Å
389I93.9Very high82.6Confident0 Ų037.7 Ų37.70%022%0.224CC..EExtended strand (participates in β ladder)trans-108.5113.9-179.5-53.3-170.4000108.1I377 D378 V399 L401 P420 S423 L432I377-I389 HydrophobicContact CB-CB 4.37Å; I377-I389 HydrophobicContact CB-CG2 3.93Å; I377-I389 WeakPolarHBondContact CB-O 3.2Å; I377-I389 HydrophobicContact CD1-CG2 4.18Å; I377-I389 HydrophobicContact CG2-CG2 4.26Å; I377-I389 PolarHBondContact N-O 2.95Å; D378-I389 HydrophobicContact CB-CB 4.43Å; D378-I389 HydrophobicContact CB-CD1 4.26Å; D378-I389 PolarHBondContact N-O 2.99Å; D378-I389 PolarHBondContact O-N 2.92Å; I389-V399 HydrophobicContact CG2-CG1 3.33Å; I389-L401 HydrophobicContact CB-CD2 4.17Å; I389-L401 HydrophobicContact CD1-CD2 3.88Å; I389-L401 HydrophobicContact CG1-CD2 3.67Å; I389-L401 HydrophobicContact CG2-CD2 3.82Å; I389-P420 HydrophobicContact CD1-CG 4.3Å; I389-P420 HydrophobicContact CG2-CG 3.79Å; I389-S423 WeakPolarHBondContact CD1-OG 3.15Å; I389-L432 HydrophobicContact CD1-CD2 3.33Å
390C90.2Very high82.4Confident15 Ų1539.3 Ų39.310%0.10123%0.233CC..EExtended strand (participates in β ladder)trans-127.7144.5-173.4-570000111.4H375 I400H375-C390 WeakPolarHBondContact O-CA 3.47Å; C390-I400 PolarHBondContact N-O 3.43Å; C390-I400 PolarHBondContact O-N 2.91Å
391K84.1Confident82.4Confident65 Ų6539 Ų3928%0.28323%0.23SC..  trans-91.2123.6170.8-160.7171.2-176.4164.20109.4H375 I377 E419H375-K391 HydrophobicContact CB-CB 3.91Å; H375-K391 WeakPolarHBondContact CB-O 3.38Å; H375-K391 PolarHBondContact O-N 3.39Å; I377-K391 HydrophobicContact CD1-CB 3.96Å; I377-K391 HydrophobicContact CG1-CB 4.42Å; K391-E419 IonicContact NZ-OE2 2.88Å; K391-E419 PolarHBondContact NZ-OE2 3.49Å
392P75.9Confident82.4Confident21 Ų2138.8 Ų38.814%0.13623%0.227CC..  trans-62153.1169.527.3-29.4000110.2D394 Q397 G398 I400P392-D394 PolarHBondContact O-N 2.9Å; P392-Q397 HydrophobicContact CB-CB 4.36Å; P392-Q397 HydrophobicContact CG-CB 3.73Å; P392-G398 WeakPolarHBondContact CD-O 2.99Å; P392-G398 VanDerWaalsContact CG-O 3.28Å; P392-G398 WeakPolarHBondContact CG-O 3.42Å; P392-I400 HydrophobicContact CB-CD1 4.11Å; P392-I400 HydrophobicContact CG-CD1 4.31Å; P392-I400 HydrophobicContact CG-CG1 4.41Å
393S67.8Low82.5Confident96 Ų9638.5 Ų38.567%0.67123%0.225SC*.SBendtrans-59.2-31.1178.449.80000112.8V395S393-V395 PolarHBondContact O-N 3.42Å
394D64.5Low82.8Confident84 Ų8435.7 Ų35.745%0.44921%0.211SC..SBendtrans-81.1106.9175.3-69.4-8.5000110P392 S396 Q397P392-D394 PolarHBondContact O-N 2.9Å; D394-S396 PolarHBondContact O-N 3.41Å; D394-Q397 HydrophobicContact CB-CB 4.47Å; D394-Q397 HydrophobicContact CB-CG 3.8Å; D394-Q397 PolarHBondContact O-N 2.95Å; D394-Q397 PolarHBondContact OD2-NE2 2.81Å
395V58.6Low83Confident122 Ų12236.4 Ų36.474%0.73922%0.216SC*.G310 helixtrans-54.4-23.5-178.5-172.80000112.7S393 Q397S393-V395 PolarHBondContact O-N 3.42Å; V395-Q397 VanDerWaalsContact C-N 3.34Å; V395-Q397 PolarHBondContact O-N 3.17Å
396S60Low82.9Confident113 Ų11335.5 Ų35.579%0.7921%0.213SC*.G310 helixtrans-78.6-7.6179.6590000115D394D394-S396 PolarHBondContact O-N 3.41Å
397Q63.3Low82.5Confident72 Ų7240.5 Ų40.534%0.33624%0.239SC..G310 helixtrans-100.210.1-168.6-63.4-165.125.500115.9P392 D394 V395P392-Q397 HydrophobicContact CB-CB 4.36Å; P392-Q397 HydrophobicContact CG-CB 3.73Å; D394-Q397 HydrophobicContact CB-CB 4.47Å; D394-Q397 HydrophobicContact CB-CG 3.8Å; D394-Q397 PolarHBondContact O-N 2.95Å; D394-Q397 PolarHBondContact OD2-NE2 2.81Å; V395-Q397 VanDerWaalsContact C-N 3.34Å; V395-Q397 PolarHBondContact O-N 3.17Å
398G78.4Confident82.2Confident23 Ų2340.6 Ų40.624%0.23724%0.239CC..  trans70.9-155.1-179.300000112.7P392 V416P392-G398 WeakPolarHBondContact CD-O 2.99Å; P392-G398 VanDerWaalsContact CG-O 3.28Å; P392-G398 WeakPolarHBondContact CG-O 3.42Å; G398-V416 CarbonylContact C-O 3.59Å; G398-V416 WeakPolarHBondContact CA-O 2.88Å
399V88.7Confident82Confident2 Ų244.3 Ų44.31%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-113.7142.9178171.40000110.1I377 I389 L401 R415 V416 E419I377-V399 HydrophobicContact CD1-CB 4.3Å; I377-V399 HydrophobicContact CD1-CG1 3.72Å; I377-V399 HydrophobicContact CD1-CG2 3.53Å; I389-V399 HydrophobicContact CG2-CG1 3.33Å; V399-L401 HydrophobicContact CG1-CD2 4.48Å; V399-R415 CarbonylContact O-C 3.48Å; V399-R415 WeakPolarHBondContact O-CA 3.27Å; V399-V416 PolarHBondContact N-O 3.35Å; V399-V416 PolarHBondContact O-N 2.85Å; V399-E419 HydrophobicContact CG2-CB 4.35Å
400I91Very high81.7Confident41 Ų4147 Ų4721%0.2128%0.284CS..EExtended strand (participates in β ladder)trans-105.4120.2179.4-55.2174.5000109.3C390 P392 R415C390-I400 PolarHBondContact N-O 3.43Å; C390-I400 PolarHBondContact O-N 2.91Å; P392-I400 HydrophobicContact CB-CD1 4.11Å; P392-I400 HydrophobicContact CG-CD1 4.31Å; P392-I400 HydrophobicContact CG-CG1 4.41Å; I400-R415 HydrophobicContact CG1-CG 4.36Å
401L92.4Very high81.6Confident0 Ų050.1 Ų50.10%030%0.299CS..EExtended strand (participates in β ladder)trans-91123.7167.2-47.5179.2000108I389 V399 S413 K414 V416 L432 Y439 W441I389-L401 HydrophobicContact CB-CD2 4.17Å; I389-L401 HydrophobicContact CD1-CD2 3.88Å; I389-L401 HydrophobicContact CG1-CD2 3.67Å; I389-L401 HydrophobicContact CG2-CD2 3.82Å; V399-L401 HydrophobicContact CG1-CD2 4.48Å; L401-S413 CarbonylContact O-C 3.12Å; L401-S413 WeakPolarHBondContact O-CA 3.39Å; L401-K414 HydrophobicContact CB-CB 4.45Å; L401-K414 PolarHBondContact N-O 2.99Å; L401-K414 PolarHBondContact O-N 3.42Å; L401-V416 HydrophobicContact CD1-CG2 3.72Å; L401-V416 HydrophobicContact CG-CG2 4.03Å; L401-L432 HydrophobicContact CD1-CD1 3.83Å; L401-L432 HydrophobicContact CD2-CD1 3.69Å; L401-L432 HydrophobicContact CD2-CD2 4.26Å; L401-L432 HydrophobicContact CG-CD1 4.29Å; L401-Y439 HydrophobicContact CD1-CE1 4.27Å; L401-W441 HydrophobicContact CD1-CE3 4.19Å
402T92.1Very high81.6Confident18 Ų1849.7 Ų49.711%0.1130%0.298CS..EExtended strand (participates in β ladder)trans-121.2117.9175.1-52.20000109.1C387 L388 Y404 A410 S413C387-T402 WeakPolarHBondContact CA-O 3.17Å; L388-T402 PolarHBondContact N-O 3.18Å; L388-T402 PolarHBondContact O-N 3.5Å; T402-Y404 HydrophobicContact CG2-CD2 3.95Å; T402-Y404 HydrophobicContact CG2-CE2 3.2Å; T402-Y404 VanDerWaalsContact O-CD2 3.31Å; T402-Y404 WeakPolarHBondContact O-CD2 3.35Å; T402-A410 HydrophobicContact CG2-CB 4.29Å; T402-S413 WeakPolarHBondContact CG2-OG 3.38Å
403M91.2Very high82.2Confident4 Ų452 Ų522%0.0232%0.315CS..EExtended strand (participates in β ladder)trans-80.8136.5173.3-76.4-167.95700111Y385 V386 A410 I411 E412 M425 I430 W441 Y443Y385-M403 HydrophobicContact CD1-CE 4.12Å; Y385-M403 HydrophobicContact CG-CE 4.2Å; V386-M403 CarbonylContact O-C 3.51Å; V386-M403 WeakPolarHBondContact O-CA 3.36Å; M403-A410 CarbonylContact O-C 3.55Å; M403-A410 WeakPolarHBondContact O-CA 3.37Å; M403-I411 HydrophobicContact CB-CB 4.41Å; M403-I411 PolarHBondContact O-N 3.42Å; M403-E412 PolarHBondContact N-O 3.06Å; M403-M425 HydrophobicContact CE-CE 3.93Å; M403-I430 HydrophobicContact CG-CD1 3.77Å; M403-I430 HydrophobicContact SD-CD1 3.84Å; M403-W441 HydrophobicContact CG-CH2 4.08Å; M403-W441 HydrophobicContact CG-CZ3 3.86Å; M403-W441 HydrophobicContact SD-CH2 3.76Å; M403-W441 HydrophobicContact SD-CZ3 3.8Å; M403-Y443 HydrophobicContact CE-CD1 4.2Å; M403-Y443 HydrophobicContact CE-CD2 3.47Å; M403-Y443 VanDerWaalsContact CE-CD2 3.47Å; M403-Y443 HydrophobicContact CE-CE1 4.38Å; M403-Y443 HydrophobicContact CE-CE2 3.66Å; M403-Y443 HydrophobicContact CE-CG 3.74Å; M403-Y443 VanDerWaalsContact SD-CB 3.57Å; M403-Y443 HydrophobicContact SD-CD1 3.88Å; M403-Y443 HydrophobicContact SD-CD2 3.88Å; M403-Y443 HydrophobicContact SD-CG 3.5Å; M403-Y443 VanDerWaalsContact SD-CG 3.5Å
404Y91.4Very high83.1Confident27 Ų2749.7 Ų49.711%0.10629%0.293CS..EExtended strand (participates in β ladder)trans-127152.7176.4-69.8-97000110.2F360 I371 Y385 V386 L388 T402 V409 A410F360-Y404 HydrophobicContact CZ-CD1 4.44Å; F360-Y404 HydrophobicContact CZ-CG 4.2Å; I371-Y404 HydrophobicContact CD1-CD1 3.82Å; I371-Y404 HydrophobicContact CD1-CE1 3.49Å; I371-Y404 VanDerWaalsContact CD1-CE1 3.49Å; Y385-Y404 WeakPolarHBondContact CA-O 3.34Å; V386-Y404 PolarHBondContact N-O 3.3Å; V386-Y404 PolarHBondContact O-N 3.33Å; L388-Y404 HydrophobicContact CB-CD2 4.38Å; L388-Y404 HydrophobicContact CB-CE2 4.06Å; L388-Y404 HydrophobicContact CD1-CD2 3.83Å; L388-Y404 HydrophobicContact CD1-CE2 3.39Å; L388-Y404 HydrophobicContact CG-CD2 3.73Å; L388-Y404 HydrophobicContact CG-CE2 3.67Å; T402-Y404 HydrophobicContact CG2-CD2 3.95Å; T402-Y404 HydrophobicContact CG2-CE2 3.2Å; T402-Y404 VanDerWaalsContact O-CD2 3.31Å; T402-Y404 WeakPolarHBondContact O-CD2 3.35Å; Y404-V409 CarbonylContact C-O 3.52Å; Y404-V409 WeakPolarHBondContact CA-O 3.11Å; Y404-A410 HydrophobicContact CD1-CB 4.04Å; Y404-A410 HydrophobicContact CE1-CB 3.7Å
405T89.9Confident84.3Confident41 Ų4153.1 Ų53.125%0.25230%0.299SS..EExtended strand (participates in β ladder)trans-68159.6159.264.50000110I407 G408 V409 I411T405-I407 PolarHBondContact O-N 3.18Å; T405-G408 WeakPolarHBondContact O-CA 3.42Å; T405-G408 PolarHBondContact O-N 2.98Å; T405-V409 HydrophobicContact CG2-CB 4.34Å; T405-V409 PolarHBondContact N-O 2.93Å; T405-V409 WeakPolarHBondContact OG1-CB 3.35Å; T405-V409 PolarHBondContact OG1-N 3.39Å; T405-V409 VanDerWaalsContact OG1-N 3.1Å; T405-I411 HydrophobicContact CG2-CD1 3.75Å; T405-I411 HydrophobicContact CG2-CG1 3.97Å
406A85.7Confident85.6Confident2 Ų247.4 Ų47.42%0.01727%0.265CS..THydrogen-bonded Turntrans-60.7-10.4173.800000114.3S338 E341 T343 F360 D384S338-A406 WeakPolarHBondContact OG-CB 3.47Å; E341-A406 HydrophobicContact CB-CB 3.68Å; E341-A406 HydrophobicContact CG-CB 3.86Å; T343-A406 WeakPolarHBondContact CG2-O 3.32Å; F360-A406 WeakPolarHBondContact CD1-O 3.41Å; D384-A406 PolarHBondContact O-N 3.44Å
407I85.9Confident86.8Confident105 Ų10547.5 Ų47.554%0.53825%0.253SS..THydrogen-bonded Turntrans-100.111.1174.2-37.9175.4000110.8K369 T405K369-I407 WeakPolarHBondContact CD-O 3.48Å; T405-I407 PolarHBondContact O-N 3.18Å
408G86.6Confident87.8Confident1 Ų144.6 Ų44.61%0.0124%0.239CC..SBendtrans74.334.1173.500000114.9K369 I371 T405K369-G408 WeakPolarHBondContact CE-O 3.4Å; K369-G408 PolarHBondContact NZ-O 3.39Å; I371-G408 WeakPolarHBondContact CD1-O 3.42Å; T405-G408 WeakPolarHBondContact O-CA 3.42Å; T405-G408 PolarHBondContact O-N 2.98Å
409V89.4Confident88.2Confident78 Ų7848 Ų4847%0.47325%0.249SC..  trans-100.1124.4170.8179.80000109.1Y404 T405Y404-V409 CarbonylContact C-O 3.52Å; Y404-V409 WeakPolarHBondContact CA-O 3.11Å; T405-V409 HydrophobicContact CG2-CB 4.34Å; T405-V409 PolarHBondContact N-O 2.93Å; T405-V409 WeakPolarHBondContact OG1-CB 3.35Å; T405-V409 PolarHBondContact OG1-N 3.39Å; T405-V409 VanDerWaalsContact OG1-N 3.1Å
410A89.4Confident88.2Confident58 Ų5848.2 Ų48.248%0.47925%0.25SC..EExtended strand (participates in β ladder)trans-67138.1178.200000110.9T402 M403 Y404T402-A410 HydrophobicContact CG2-CB 4.29Å; M403-A410 CarbonylContact O-C 3.55Å; M403-A410 WeakPolarHBondContact O-CA 3.37Å; Y404-A410 HydrophobicContact CD1-CB 4.04Å; Y404-A410 HydrophobicContact CE1-CB 3.7Å
411I86.4Confident88.1Confident79 Ų7950.3 Ų50.341%0.40526%0.261SS..EExtended strand (participates in β ladder)trans-111.6-59.4-177.4-57.7165.7000109.7Y385 M403 T405Y385-I411 HydrophobicContact CD1-CD1 3.53Å; Y385-I411 HydrophobicContact CE1-CD1 3.62Å; M403-I411 HydrophobicContact CB-CB 4.41Å; M403-I411 PolarHBondContact O-N 3.42Å; T405-I411 HydrophobicContact CG2-CD1 3.75Å; T405-I411 HydrophobicContact CG2-CG1 3.97Å
412E85.7Confident88Confident56 Ų5652.1 Ų52.126%0.26227%0.269SS..EExtended strand (participates in β ladder)trans-146.3153.6-172.2-171.5175.3-179.500109.8M403 W441M403-E412 PolarHBondContact N-O 3.06Å; E412-W441 HydrophobicContact CB-CH2 4.47Å; E412-W441 HydrophobicContact CG-CH2 4.14Å; E412-W441 HydrophobicContact CG-CZ2 4.21Å
413S87.9Confident88.1Confident71 Ų7151.6 Ų51.650%0.49727%0.266SS..EExtended strand (participates in β ladder)trans-134.7141175.7-56.30000111.7L401 T402L401-S413 CarbonylContact O-C 3.12Å; L401-S413 WeakPolarHBondContact O-CA 3.39Å; T402-S413 WeakPolarHBondContact CG2-OG 3.38Å
414K86.8Confident88.2Confident47 Ų4753.6 Ų53.620%0.20428%0.276CS..EExtended strand (participates in β ladder)trans-132.6142-179.5-16966.8175.1-167.60111L401 W441 E468L401-K414 HydrophobicContact CB-CB 4.45Å; L401-K414 PolarHBondContact N-O 2.99Å; L401-K414 PolarHBondContact O-N 3.42Å; K414-W441 HydrophobicContact CB-CD2 4.42Å; K414-W441 HydrophobicContact CB-CE3 4.37Å; K414-W441 HydrophobicContact CB-CH2 4.19Å; K414-W441 HydrophobicContact CB-CZ2 4.21Å; K414-W441 HydrophobicContact CB-CZ3 4.25Å; K414-W441 HydrophobicContact CG-CD2 4.47Å; K414-E468 VanDerWaalsContact CE-CD 3.45Å; K414-E468 WeakPolarHBondContact CE-OE1 3.13Å; K414-E468 IonicContact NZ-OE1 3.91Å; K414-E468 PolarHBondContact NZ-OE1 3.38Å
415R88.4Confident88.1Confident155 Ų15552.5 Ų52.559%0.58527%0.272SS*.EExtended strand (participates in β ladder)trans-99.1137.8175.5-64.9-175-179.8-168-4.3110.7V399 I400V399-R415 CarbonylContact O-C 3.48Å; V399-R415 WeakPolarHBondContact O-CA 3.27Å; I400-R415 HydrophobicContact CG1-CG 4.36Å
416V87.8Confident88Confident2 Ų251.2 Ų51.21%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-127.1141.2-179.9172.60000109.3G398 V399 L401 F418 L432 Y439 W501G398-V416 CarbonylContact C-O 3.59Å; G398-V416 WeakPolarHBondContact CA-O 2.88Å; V399-V416 PolarHBondContact N-O 3.35Å; V399-V416 PolarHBondContact O-N 2.85Å; L401-V416 HydrophobicContact CD1-CG2 3.72Å; L401-V416 HydrophobicContact CG-CG2 4.03Å; V416-F418 HydrophobicContact CG1-CD1 3.86Å; V416-F418 HydrophobicContact CG1-CE1 3.91Å; V416-F418 HydrophobicContact CG1-CG 4.37Å; V416-F418 HydrophobicContact CG1-CZ 4.46Å; V416-F418 PolarHBondContact O-N 3.18Å; V416-L432 HydrophobicContact CG1-CD1 4.24Å; V416-L432 HydrophobicContact CG2-CD1 4.11Å; V416-Y439 HydrophobicContact CG2-CD1 4.28Å; V416-Y439 HydrophobicContact CG2-CE1 3.7Å; V416-W501 HydrophobicContact CB-CH2 4.43Å; V416-W501 HydrophobicContact CG1-CH2 3.95Å; V416-W501 HydrophobicContact CG1-CZ3 4.35Å
417Q84.2Confident88Confident116 Ų11652.7 Ų52.754%0.54227%0.274SS..SBendtrans-81.7-10.6-171.5-62-171.2-4.100115.2W501 M504Q417-W501 HydrophobicContact CB-CD2 4.37Å; Q417-W501 HydrophobicContact CB-CE3 3.77Å; Q417-W501 HydrophobicContact CB-CZ3 3.87Å; Q417-W501 HydrophobicContact CG-CD2 3.86Å; Q417-W501 HydrophobicContact CG-CE3 3.79Å; Q417-W501 HydrophobicContact CG-CG 4.42Å; Q417-W501 HydrophobicContact CG-CH2 4.49Å; Q417-W501 HydrophobicContact CG-CZ3 4.12Å; Q417-M504 HydrophobicContact CB-CE 4.5Å; Q417-M504 HydrophobicContact CB-SD 3.95Å
418F84.9Confident87.9Confident10 Ų1049.3 Ų49.34%0.04426%0.258CS..SBendtrans-121.9156.8179.473-95.8000113.2V416 P420 L432 N434 Y439 L470 W501 M504V416-F418 HydrophobicContact CG1-CD1 3.86Å; V416-F418 HydrophobicContact CG1-CE1 3.91Å; V416-F418 HydrophobicContact CG1-CG 4.37Å; V416-F418 HydrophobicContact CG1-CZ 4.46Å; V416-F418 PolarHBondContact O-N 3.18Å; F418-P420 HydrophobicContact CE2-CB 4.12Å; F418-P420 WeakPolarHBondContact O-CD 3.47Å; F418-L432 HydrophobicContact CE2-CB 4.43Å; F418-L432 HydrophobicContact CZ-CB 4.14Å; F418-N434 HydrophobicContact CD2-CB 3.57Å; F418-N434 HydrophobicContact CE2-CB 3.63Å; F418-Y439 HydrophobicContact CE1-CG 4.42Å; F418-L470 HydrophobicContact CE1-CD1 4.15Å; F418-W501 HydrophobicContact CD1-CZ3 4.3Å; F418-M504 HydrophobicContact CB-CE 3.69Å; F418-M504 HydrophobicContact CB-SD 4.38Å; F418-M504 HydrophobicContact CD1-SD 4.24Å
419E85.9Confident88Confident95 Ų9549.3 Ų49.344%0.44426%0.257SS..  trans-84.9115.4174.2-170.3168157.600110.7I377 K391 V399I377-E419 HydrophobicContact CD1-CG 3.95Å; I377-E419 HydrophobicContact CG1-CG 4.49Å; K391-E419 IonicContact NZ-OE2 2.88Å; K391-E419 PolarHBondContact NZ-OE2 3.49Å; V399-E419 HydrophobicContact CG2-CB 4.35Å
420P90.1Very high88.1Confident6 Ų645.6 Ų45.64%0.03924%0.235CC..  trans-77.8145.7-179.131.8-34.8000112I377 I389 F418 L432 I433I377-P420 HydrophobicContact CG2-CG 4.16Å; I377-P420 WeakPolarHBondContact CG2-O 3.41Å; I389-P420 HydrophobicContact CD1-CG 4.3Å; I389-P420 HydrophobicContact CG2-CG 3.79Å; F418-P420 HydrophobicContact CE2-CB 4.12Å; F418-P420 WeakPolarHBondContact O-CD 3.47Å; P420-L432 HydrophobicContact CB-CB 4.07Å; P420-L432 HydrophobicContact CB-CD2 4.43Å; P420-L432 HydrophobicContact CG-CD2 4.47Å; P420-I433 CarbonylContact C-O 3.54Å; P420-I433 VanDerWaalsContact CA-O 3.22Å; P420-I433 WeakPolarHBondContact CA-O 3.42Å
421I87.2Confident88.3Confident86 Ų8642.8 Ų42.844%0.44121%0.212SC..SBendtrans-81.5-42173.8-62.4171.2000110.4I433 K435I421-I433 PolarHBondContact N-O 2.78Å; I421-K435 HydrophobicContact CD1-CB 4.44Å; I421-K435 HydrophobicContact CD1-CG 3.58Å
422Q91Very high88.6Confident37 Ų3739 Ų3917%0.17319%0.192CC..EExtended strand (participates in β ladder)trans-144.9148-179.3-168.3-178-8.800109.2I433 T515 L516Q422-I433 HydrophobicContact CB-CD1 3.98Å; Q422-I433 HydrophobicContact CB-CG1 3.95Å; Q422-I433 WeakPolarHBondContact O-CG1 3.33Å; Q422-I433 PolarHBondContact O-N 3.33Å; Q422-I433 VanDerWaalsContact O-N 3.11Å; Q422-T515 PolarHBondContact OE1-OG1 3.33Å; Q422-L516 PolarHBondContact NE2-O 3.09Å; Q422-L516 VanDerWaalsContact OE1-N 3.1Å
423S93.6Very high89Confident7 Ų736.4 Ų36.45%0.04918%0.18CC..EExtended strand (participates in β ladder)trans-126.3152.8172.768.70000112.3D378 C380 I389 I431D378-S423 WeakPolarHBondContact OD2-CB 3.28Å; D378-S423 PolarHBondContact OD2-N 3.43Å; D378-S423 PolarHBondContact OD2-OG 3.35Å; C380-S423 PolarHBondContact SG-OG 3.13Å; C380-S423 VanDerWaalsContact SG-OG 3.39Å; I389-S423 WeakPolarHBondContact CD1-OG 3.15Å; S423-I431 WeakPolarHBondContact CA-O 3.3Å
424M93.4Very high89.2Confident46 Ų4635.1 Ų35.123%0.22717%0.167CC..EExtended strand (participates in β ladder)trans-142.9159.3168-84.8-164.7144.800110.8I431 L516 T517 I518M424-I431 PolarHBondContact N-O 2.78Å; M424-I431 PolarHBondContact O-N 3.1Å; M424-L516 HydrophobicContact CB-CD1 3.69Å; M424-L516 HydrophobicContact CG-CD1 3.34Å; M424-L516 HydrophobicContact SD-CD1 3.27Å; M424-L516 WeakPolarHBondContact SD-CD1 3.5Å; M424-T517 VanDerWaalsContact SD-CA 3.57Å; M424-I518 HydrophobicContact CB-CD1 3.54Å; M424-I518 HydrophobicContact CB-CG1 4.22Å; M424-I518 HydrophobicContact CG-CD1 4.43Å; M424-I518 HydrophobicContact SD-CB 3.99Å; M424-I518 HydrophobicContact SD-CD1 4.01Å; M424-I518 HydrophobicContact SD-CG1 3.68Å; M424-I518 PolarHBondContact SD-N 3.4Å; M424-I518 VanDerWaalsContact SD-N 3.4Å
425M90.5Very high89.4Confident5 Ų538 Ų383%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-131.7138.7-175.4-170.1172.4-175.500110C380 S382 Y385 C387 M403 Q429 I430 Y443C380-M425 HydrophobicContact CB-CB 4.13Å; S382-M425 WeakPolarHBondContact CB-O 3.48Å; S382-M425 PolarHBondContact OG-O 3.48Å; Y385-M425 VanDerWaalsContact CB-CE 3.43Å; Y385-M425 HydrophobicContact CG-CE 4.41Å; C387-M425 HydrophobicContact CB-SD 4.14Å; M403-M425 HydrophobicContact CE-CE 3.93Å; M425-Q429 CarbonylContact C-O 3.57Å; M425-Q429 WeakPolarHBondContact CA-O 3.35Å; M425-I430 HydrophobicContact CE-CD1 4.33Å; M425-I430 HydrophobicContact CE-CG1 4.2Å; M425-I430 HydrophobicContact CG-CG1 3.96Å; M425-I430 HydrophobicContact SD-CG1 4.25Å; M425-Y443 HydrophobicContact CE-CD1 4.39Å; M425-Y443 HydrophobicContact CE-CE1 3.5Å; M425-Y443 HydrophobicContact CE-CE2 4.29Å; M425-Y443 VanDerWaalsContact CE-CZ 3.43Å; M425-Y443 VanDerWaalsContact CE-OH 3.25Å; M425-Y443 WeakPolarHBondContact CE-OH 3.48Å; M425-Y443 HydrophobicContact CG-CE1 4.38Å
426T88.1Confident89.5Confident13 Ų1330.7 Ų30.78%0.0815%0.153CC..  trans-107.4179.4164.171.30000109.1S382 N428 Q429 Y443 I518 L539S382-T426 VanDerWaalsContact OG-C 3.28Å; S382-T426 WeakPolarHBondContact OG-CA 3.34Å; T426-N428 PolarHBondContact O-N 3.28Å; T426-N428 VanDerWaalsContact O-N 3.08Å; T426-N428 PolarHBondContact OG1-N 3.46Å; T426-N428 PolarHBondContact OG1-OD1 2.78Å; T426-Q429 PolarHBondContact N-O 3.37Å; T426-Q429 WeakPolarHBondContact OG1-CB 3.37Å; T426-Q429 PolarHBondContact OG1-N 2.88Å; T426-Q429 PolarHBondContact OG1-O 2.93Å; T426-Y443 PolarHBondContact O-OH 3.2Å; T426-I518 HydrophobicContact CG2-CD1 3.82Å; T426-I518 HydrophobicContact CG2-CG2 4.03Å; T426-L539 HydrophobicContact CG2-CD1 3.91Å
427S84.5Confident89.6Confident33 Ų3331.3 Ų31.323%0.23116%0.156CC..SBendtrans-66-6.617757.70000115.3S382 E383 Y443S382-S427 PolarHBondContact OG-N 3.28Å; E383-S427 WeakPolarHBondContact OE1-CB 3.29Å; E383-S427 VanDerWaalsContact OE2-CB 3.24Å; E383-S427 WeakPolarHBondContact OE2-CB 3.46Å; S427-Y443 WeakPolarHBondContact CA-OH 3.5Å; S427-Y443 PolarHBondContact O-OH 3.1Å; S427-Y443 VanDerWaalsContact O-OH 3.09Å
428N83.6Confident90Very high35 Ų3525.9 Ų25.919%0.18713%0.13CC..SBendtrans-146.81177.169-15.5000115.3T426 Q442 Y443T426-N428 PolarHBondContact O-N 3.28Å; T426-N428 VanDerWaalsContact O-N 3.08Å; T426-N428 PolarHBondContact OG1-N 3.46Å; T426-N428 PolarHBondContact OG1-OD1 2.78Å; N428-Q442 CarbonylContact O-C 3.59Å; N428-Q442 VanDerWaalsContact O-CA 3.28Å; N428-Q442 WeakPolarHBondContact O-CA 3.39Å; N428-Q442 WeakPolarHBondContact O-CG 3.12Å; N428-Y443 PolarHBondContact N-OH 2.94Å; N428-Y443 PolarHBondContact O-N 3.14Å; N428-Y443 VanDerWaalsContact O-N 3.13Å
429Q88.4Confident90.3Very high0 Ų025.4 Ų25.40%013%0.128CC..EExtended strand (participates in β ladder)trans-139.5145.4178.6-64.7-171.7-38.100112.5M425 T426 W441 Q442 Y443 P540M425-Q429 CarbonylContact C-O 3.57Å; M425-Q429 WeakPolarHBondContact CA-O 3.35Å; T426-Q429 PolarHBondContact N-O 3.37Å; T426-Q429 WeakPolarHBondContact OG1-CB 3.37Å; T426-Q429 PolarHBondContact OG1-N 2.88Å; T426-Q429 PolarHBondContact OG1-O 2.93Å; Q429-W441 CarbonylContact C-O 3.54Å; Q429-W441 VanDerWaalsContact CA-O 3.27Å; Q429-W441 WeakPolarHBondContact CA-O 3.39Å; Q429-Q442 HydrophobicContact CG-CB 3.95Å; Q429-Q442 HydrophobicContact CG-CG 4.02Å; Q429-Y443 VanDerWaalsContact N-CE1 3.31Å; Q429-P540 PolarHBondContact NE2-O 3.5Å
430I91.6Very high90.5Very high0 Ų020.9 Ų20.90%011%0.107CC..EExtended strand (participates in β ladder)trans-109.3126.7167-67.7157.5000107.5C387 M403 M425 L432 A440 W441 Y443C387-I430 HydrophobicContact CB-CD1 3.9Å; C387-I430 HydrophobicContact CB-CG1 4.32Å; M403-I430 HydrophobicContact CG-CD1 3.77Å; M403-I430 HydrophobicContact SD-CD1 3.84Å; M425-I430 HydrophobicContact CE-CD1 4.33Å; M425-I430 HydrophobicContact CE-CG1 4.2Å; M425-I430 HydrophobicContact CG-CG1 3.96Å; M425-I430 HydrophobicContact SD-CG1 4.25Å; I430-L432 HydrophobicContact CG2-CD2 4.02Å; I430-L432 HydrophobicContact CG2-CG 4.44Å; I430-A440 CarbonylContact O-C 2.96Å; I430-A440 WeakPolarHBondContact O-CA 3.2Å; I430-W441 HydrophobicContact CB-CE3 4.3Å; I430-W441 HydrophobicContact CD1-CE3 3.49Å; I430-W441 VanDerWaalsContact CD1-CE3 3.49Å; I430-W441 HydrophobicContact CD1-CZ3 3.46Å; I430-W441 VanDerWaalsContact CD1-CZ3 3.46Å; I430-W441 HydrophobicContact CG1-CE3 4.42Å; I430-W441 PolarHBondContact N-O 2.97Å; I430-W441 PolarHBondContact O-N 2.97Å; I430-Y443 HydrophobicContact CD1-CD1 4.07Å; I430-Y443 HydrophobicContact CD1-CE1 4.43Å; I430-Y443 HydrophobicContact CG1-CD1 4.08Å; I430-Y443 HydrophobicContact CG1-CE1 4.12Å
431I93.6Very high90.5Very high0 Ų020.6 Ų20.60%011%0.105CC..EExtended strand (participates in β ladder)trans-115.6126.6-177.6-64.2162000108.5S423 M424 I438 Y439 A440 L516 I518 L525 L539S423-I431 WeakPolarHBondContact CA-O 3.3Å; M424-I431 PolarHBondContact N-O 2.78Å; M424-I431 PolarHBondContact O-N 3.1Å; I431-I438 HydrophobicContact CG2-CG2 4.23Å; I431-Y439 CarbonylContact C-O 3.53Å; I431-Y439 WeakPolarHBondContact CA-O 3.31Å; I431-A440 HydrophobicContact CG1-CB 4.16Å; I431-L516 HydrophobicContact CG2-CD2 4.27Å; I431-I518 HydrophobicContact CD1-CD1 3.69Å; I431-I518 HydrophobicContact CD1-CG1 4.5Å; I431-L525 HydrophobicContact CD1-CD1 4.29Å; I431-L525 HydrophobicContact CD1-CD2 4.24Å; I431-L525 HydrophobicContact CG2-CD1 4.31Å; I431-L525 HydrophobicContact CG2-CD2 4.08Å; I431-L539 HydrophobicContact CD1-CD1 3.68Å; I431-L539 HydrophobicContact CD1-CD2 3.77Å; I431-L539 HydrophobicContact CD1-CG 4.39Å
432L94.2Very high90.5Very high0 Ų017.8 Ų17.80%09%0.09CC..EExtended strand (participates in β ladder)trans-119.1139.1178-53.6-176.3000109.6I389 L401 V416 F418 P420 I430 Y439I389-L432 HydrophobicContact CD1-CD2 3.33Å; L401-L432 HydrophobicContact CD1-CD1 3.83Å; L401-L432 HydrophobicContact CD2-CD1 3.69Å; L401-L432 HydrophobicContact CD2-CD2 4.26Å; L401-L432 HydrophobicContact CG-CD1 4.29Å; V416-L432 HydrophobicContact CG1-CD1 4.24Å; V416-L432 HydrophobicContact CG2-CD1 4.11Å; F418-L432 HydrophobicContact CE2-CB 4.43Å; F418-L432 HydrophobicContact CZ-CB 4.14Å; P420-L432 HydrophobicContact CB-CB 4.07Å; P420-L432 HydrophobicContact CB-CD2 4.43Å; P420-L432 HydrophobicContact CG-CD2 4.47Å; I430-L432 HydrophobicContact CG2-CD2 4.02Å; I430-L432 HydrophobicContact CG2-CG 4.44Å; L432-Y439 HydrophobicContact CB-CD1 4.22Å; L432-Y439 HydrophobicContact CD1-CD1 3.75Å; L432-Y439 HydrophobicContact CD1-CE1 4.21Å; L432-Y439 HydrophobicContact CG-CD1 3.97Å; L432-Y439 PolarHBondContact N-O 2.72Å; L432-Y439 PolarHBondContact O-N 3.27Å
433I93.8Very high90Very high1 Ų116.1 Ų16.11%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-122.7149.7171.456.5162.4000112.1P420 I421 Q422 F437 I438 I513 L516P420-I433 CarbonylContact C-O 3.54Å; P420-I433 VanDerWaalsContact CA-O 3.22Å; P420-I433 WeakPolarHBondContact CA-O 3.42Å; I421-I433 PolarHBondContact N-O 2.78Å; Q422-I433 HydrophobicContact CB-CD1 3.98Å; Q422-I433 HydrophobicContact CB-CG1 3.95Å; Q422-I433 WeakPolarHBondContact O-CG1 3.33Å; Q422-I433 PolarHBondContact O-N 3.33Å; Q422-I433 VanDerWaalsContact O-N 3.11Å; I433-F437 WeakPolarHBondContact CA-O 3.27Å; I433-I438 HydrophobicContact CG2-CG1 4.24Å; I433-I438 HydrophobicContact CG2-CG2 4.3Å; I433-I513 HydrophobicContact CB-CD1 4.33Å; I433-I513 HydrophobicContact CB-CG2 4.4Å; I433-I513 HydrophobicContact CD1-CG2 3.49Å; I433-I513 VanDerWaalsContact CD1-CG2 3.49Å; I433-I513 HydrophobicContact CG2-CD1 4.21Å; I433-L516 HydrophobicContact CB-CD2 4Å; I433-L516 HydrophobicContact CD1-CB 4.14Å; I433-L516 HydrophobicContact CD1-CD2 3.6Å; I433-L516 HydrophobicContact CD1-CG 3.92Å; I433-L516 HydrophobicContact CG1-CD2 3.48Å; I433-L516 VanDerWaalsContact CG1-CD2 3.48Å; I433-L516 HydrophobicContact CG1-CG 4.29Å; I433-L516 HydrophobicContact CG2-CD2 3.4Å
434N90.8Very high88.8Confident43 Ų4319.8 Ų19.823%0.2310%0.098CC..  trans-126.6-178.1162.2-171.2-1000108F418 S436 F437 I513F418-N434 HydrophobicContact CD2-CB 3.57Å; F418-N434 HydrophobicContact CE2-CB 3.63Å; N434-S436 PolarHBondContact O-N 2.87Å; N434-F437 PolarHBondContact N-O 3.1Å; N434-I513 WeakPolarHBondContact O-CD1 3.34Å
435K91Very high87.6Confident107 Ų10718 Ų1847%0.4659%0.089SC..SBendtrans-49.8-25.2-179.3-65.6-160.3175.8-170.20114.3I421 P512 I513I421-K435 HydrophobicContact CD1-CB 4.44Å; I421-K435 HydrophobicContact CD1-CG 3.58Å; K435-P512 HydrophobicContact CB-CB 3.73Å; K435-P512 HydrophobicContact CD-CB 4.45Å; K435-P512 HydrophobicContact CG-CB 4.3Å; K435-P512 CarbonylContact O-C 3.57Å; K435-P512 WeakPolarHBondContact O-CA 3.28Å; K435-P512 WeakPolarHBondContact O-CB 3.43Å; K435-I513 PolarHBondContact O-N 3.21Å
436S90.7Very high86.1Confident3 Ų321.4 Ų21.42%0.02111%0.111CC..SBendtrans-136.5-8.1-175.5-48.60000114.8N434 H472 I473 V508 S509N434-S436 PolarHBondContact O-N 2.87Å; S436-H472 WeakPolarHBondContact O-CA 3.49Å; S436-I473 PolarHBondContact O-N 3.48Å; S436-V508 WeakPolarHBondContact OG-CG1 2.93Å; S436-S509 PolarHBondContact OG-N 3.38Å
437F91.5Very high84.8Confident15 Ų1527.1 Ų27.17%0.06614%0.135CC..EExtended strand (participates in β ladder)trans-127.7144.5-169.1-60.2-77.5000112.2I433 N434 L470 Y471 H472 I503 M504I433-F437 WeakPolarHBondContact CA-O 3.27Å; N434-F437 PolarHBondContact N-O 3.1Å; F437-L470 HydrophobicContact CB-CD1 4.17Å; F437-L470 HydrophobicContact CD1-CD1 4.49Å; F437-Y471 CarbonylContact C-O 3.56Å; F437-Y471 VanDerWaalsContact CA-O 3.3Å; F437-Y471 WeakPolarHBondContact CA-O 3.35Å; F437-H472 HydrophobicContact CD1-CB 4.27Å; F437-H472 HydrophobicContact CE1-CB 4.15Å; F437-H472 AromaticContact CE1-CD2 3.45Å; F437-H472 VanDerWaalsContact CE1-CD2 3.45Å; F437-H472 WeakPolarHBondContact CE1-CD2 3.46Å; F437-H472 AromaticContact CZ-CD2 3.76Å; F437-I503 HydrophobicContact CD1-CG2 4.39Å; F437-I503 HydrophobicContact CE1-CG2 4.04Å; F437-I503 WeakPolarHBondContact CE1-O 3.48Å; F437-M504 HydrophobicContact CZ-CB 4.47Å
438I91.6Very high83.4Confident1 Ų128.9 Ų28.91%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-117.3122.2171.4-49.2160.7000107I431 I433 L470 Y471 I473 I513 L525 I527 Y537 L542I431-I438 HydrophobicContact CG2-CG2 4.23Å; I433-I438 HydrophobicContact CG2-CG1 4.24Å; I433-I438 HydrophobicContact CG2-CG2 4.3Å; I438-L470 WeakPolarHBondContact O-CA 3.45Å; I438-Y471 PolarHBondContact N-O 3.34Å; I438-Y471 PolarHBondContact O-N 2.8Å; I438-I473 HydrophobicContact CD1-CD1 3.75Å; I438-I473 HydrophobicContact CG1-CD1 4.28Å; I438-I513 HydrophobicContact CG1-CD1 3.97Å; I438-L525 HydrophobicContact CG2-CD2 4.36Å; I438-I527 HydrophobicContact CD1-CD1 3.23Å; I438-I527 HydrophobicContact CG1-CD1 3.63Å; I438-I527 HydrophobicContact CG2-CD1 4.36Å; I438-Y537 HydrophobicContact CD1-CE2 4.16Å; I438-L542 HydrophobicContact CG2-CD1 4.26Å; I438-L542 HydrophobicContact CG2-CD2 4.38Å
439Y91.2Very high81.8Confident0 Ų031 Ų310%015%0.154CC..EExtended strand (participates in β ladder)trans-115.7130.2174.2171.5-93.1000109.3L401 V416 F418 I431 L432 W441 E468 R469 L470 V499 W501L401-Y439 HydrophobicContact CD1-CE1 4.27Å; V416-Y439 HydrophobicContact CG2-CD1 4.28Å; V416-Y439 HydrophobicContact CG2-CE1 3.7Å; F418-Y439 HydrophobicContact CE1-CG 4.42Å; I431-Y439 CarbonylContact C-O 3.53Å; I431-Y439 WeakPolarHBondContact CA-O 3.31Å; L432-Y439 HydrophobicContact CB-CD1 4.22Å; L432-Y439 HydrophobicContact CD1-CD1 3.75Å; L432-Y439 HydrophobicContact CD1-CE1 4.21Å; L432-Y439 HydrophobicContact CG-CD1 3.97Å; L432-Y439 PolarHBondContact N-O 2.72Å; L432-Y439 PolarHBondContact O-N 3.27Å; Y439-W441 HydrophobicContact CE1-CB 3.68Å; Y439-E468 HydrophobicContact CE2-CB 4.47Å; Y439-E468 PolarHBondContact OH-OE2 2.66Å; Y439-R469 CarbonylContact C-O 3.51Å; Y439-R469 WeakPolarHBondContact CA-O 3.42Å; Y439-L470 HydrophobicContact CD2-CD1 4.45Å; Y439-V499 HydrophobicContact CE2-CG2 4.36Å; Y439-W501 HydrophobicContact CD2-CH2 4.02Å; Y439-W501 AromaticContact CE2-CH2 3.84Å; Y439-W501 HydrophobicContact CE2-CH2 3.84Å; Y439-W501 HydrophobicContact CE2-CZ2 4.09Å
440A90.5Very high79.9Confident0 Ų037.8 Ų37.80%019%0.19CC..EExtended strand (participates in β ladder)trans-124.2127.2174.600000110.3I430 I431 E468 R469 L542I430-A440 CarbonylContact O-C 2.96Å; I430-A440 WeakPolarHBondContact O-CA 3.2Å; I431-A440 HydrophobicContact CG1-CB 4.16Å; A440-E468 CarbonylContact O-C 3.53Å; A440-E468 WeakPolarHBondContact O-CA 3.31Å; A440-R469 PolarHBondContact N-O 2.72Å; A440-R469 PolarHBondContact O-N 3.19Å; A440-L542 HydrophobicContact CB-CD1 3.62Å; A440-L542 HydrophobicContact CB-CG 4.24Å
441W89.4Confident77.8Confident0 Ų045.1 Ų45.10%023%0.229CC..EExtended strand (participates in β ladder)trans-116.9117.8176.3174.847000109.9L401 M403 E412 K414 Q429 I430 Y439 E468L401-W441 HydrophobicContact CD1-CE3 4.19Å; M403-W441 HydrophobicContact CG-CH2 4.08Å; M403-W441 HydrophobicContact CG-CZ3 3.86Å; M403-W441 HydrophobicContact SD-CH2 3.76Å; M403-W441 HydrophobicContact SD-CZ3 3.8Å; E412-W441 HydrophobicContact CB-CH2 4.47Å; E412-W441 HydrophobicContact CG-CH2 4.14Å; E412-W441 HydrophobicContact CG-CZ2 4.21Å; K414-W441 HydrophobicContact CB-CD2 4.42Å; K414-W441 HydrophobicContact CB-CE3 4.37Å; K414-W441 HydrophobicContact CB-CH2 4.19Å; K414-W441 HydrophobicContact CB-CZ2 4.21Å; K414-W441 HydrophobicContact CB-CZ3 4.25Å; K414-W441 HydrophobicContact CG-CD2 4.47Å; Q429-W441 CarbonylContact C-O 3.54Å; Q429-W441 VanDerWaalsContact CA-O 3.27Å; Q429-W441 WeakPolarHBondContact CA-O 3.39Å; I430-W441 HydrophobicContact CB-CE3 4.3Å; I430-W441 HydrophobicContact CD1-CE3 3.49Å; I430-W441 VanDerWaalsContact CD1-CE3 3.49Å; I430-W441 HydrophobicContact CD1-CZ3 3.46Å; I430-W441 VanDerWaalsContact CD1-CZ3 3.46Å; I430-W441 HydrophobicContact CG1-CE3 4.42Å; I430-W441 PolarHBondContact N-O 2.97Å; I430-W441 PolarHBondContact O-N 2.97Å; Y439-W441 HydrophobicContact CE1-CB 3.68Å; W441-E468 HydrophobicContact CG-CG 4.45Å
442Q86.6Confident75.3Confident27 Ų2750.1 Ų50.113%0.12626%0.255CS..EExtended strand (participates in β ladder)trans-91.7106.4179.4-174.7175.3-19.900110.4N428 Q429 G466 I467N428-Q442 CarbonylContact O-C 3.59Å; N428-Q442 VanDerWaalsContact O-CA 3.28Å; N428-Q442 WeakPolarHBondContact O-CA 3.39Å; N428-Q442 WeakPolarHBondContact O-CG 3.12Å; Q429-Q442 HydrophobicContact CG-CB 3.95Å; Q429-Q442 HydrophobicContact CG-CG 4.02Å; Q442-G466 CarbonylContact O-C 3.56Å; Q442-G466 WeakPolarHBondContact O-CA 3.37Å; Q442-I467 HydrophobicContact CB-CB 4.11Å; Q442-I467 VanDerWaalsContact CB-O 3.3Å; Q442-I467 WeakPolarHBondContact CB-O 3.45Å; Q442-I467 PolarHBondContact N-O 3.43Å; Q442-I467 PolarHBondContact O-N 3.12Å
443Y80.6Confident72.5Confident2 Ų254 Ų541%0.00830%0.295CS..PPolyproline II helixtrans-88.5151.7179.163.7-92.2000111.3Y385 M403 M425 T426 S427 N428 Q429 I430 T445Y385-Y443 HydrophobicContact CD2-CE2 4.18Å; Y385-Y443 HydrophobicContact CE2-CE2 4.45Å; M403-Y443 HydrophobicContact CE-CD1 4.2Å; M403-Y443 HydrophobicContact CE-CD2 3.47Å; M403-Y443 VanDerWaalsContact CE-CD2 3.47Å; M403-Y443 HydrophobicContact CE-CE1 4.38Å; M403-Y443 HydrophobicContact CE-CE2 3.66Å; M403-Y443 HydrophobicContact CE-CG 3.74Å; M403-Y443 VanDerWaalsContact SD-CB 3.57Å; M403-Y443 HydrophobicContact SD-CD1 3.88Å; M403-Y443 HydrophobicContact SD-CD2 3.88Å; M403-Y443 HydrophobicContact SD-CG 3.5Å; M403-Y443 VanDerWaalsContact SD-CG 3.5Å; M425-Y443 HydrophobicContact CE-CD1 4.39Å; M425-Y443 HydrophobicContact CE-CE1 3.5Å; M425-Y443 HydrophobicContact CE-CE2 4.29Å; M425-Y443 VanDerWaalsContact CE-CZ 3.43Å; M425-Y443 VanDerWaalsContact CE-OH 3.25Å; M425-Y443 WeakPolarHBondContact CE-OH 3.48Å; M425-Y443 HydrophobicContact CG-CE1 4.38Å; T426-Y443 PolarHBondContact O-OH 3.2Å; S427-Y443 WeakPolarHBondContact CA-OH 3.5Å; S427-Y443 PolarHBondContact O-OH 3.1Å; S427-Y443 VanDerWaalsContact O-OH 3.09Å; N428-Y443 PolarHBondContact N-OH 2.94Å; N428-Y443 PolarHBondContact O-N 3.14Å; N428-Y443 VanDerWaalsContact O-N 3.13Å; Q429-Y443 VanDerWaalsContact N-CE1 3.31Å; I430-Y443 HydrophobicContact CD1-CD1 4.07Å; I430-Y443 HydrophobicContact CD1-CE1 4.43Å; I430-Y443 HydrophobicContact CG1-CD1 4.08Å; I430-Y443 HydrophobicContact CG1-CE1 4.12Å; Y443-T445 HydrophobicContact CD2-CG2 4.14Å; Y443-T445 HydrophobicContact CE2-CG2 3.7Å
444F70.1Confident69.9Low85 Ų8560.9 Ų60.937%0.37333%0.325SS..PPolyproline II helixtrans-97.1128.2176.3-74-78.5000111
445T66.3Low67.3Low9 Ų968 Ų686%0.05535%0.354CS..PPolyproline II helixtrans-85.5144.7174.259.60000110.6Y385 Y443 K447 Q448 T449Y385-T445 HydrophobicContact CD2-CG2 4.42Å; Y385-T445 HydrophobicContact CE2-CG2 3.51Å; Y443-T445 HydrophobicContact CD2-CG2 4.14Å; Y443-T445 HydrophobicContact CE2-CG2 3.7Å; T445-K447 PolarHBondContact O-N 3.39Å; T445-K447 VanDerWaalsContact O-N 3.14Å; T445-Q448 PolarHBondContact O-N 3.37Å; T445-Q448 WeakPolarHBondContact OG1-CG 3.31Å; T445-Q448 PolarHBondContact OG1-N 3.33Å; T445-Q448 PolarHBondContact OG1-NE2 3.38Å; T445-T449 PolarHBondContact O-N 3.3Å
446P60.8Low64.7Low75 Ų7570.2 Ų70.249%0.48736%0.364SS..Hα-helixtrans-54.5-33.7173.7-26.233.8000112.8Q448 T449P446-Q448 VanDerWaalsContact C-N 3.34Å; P446-Q448 PolarHBondContact O-N 3.12Å; P446-T449 WeakPolarHBondContact CA-OG1 3.39Å; P446-T449 PolarHBondContact O-N 3.39Å; P446-T449 PolarHBondContact O-OG1 3.45Å
447K60.8Low62.2Low134 Ų13473.6 Ų73.658%0.58339%0.385SS*.Hα-helixtrans-59.8-41.5175.2-68.2177179.8167.60111.7D384 T445 L450D384-K447 IonicContact OD2-NZ 3.92Å; D384-K447 PolarHBondContact OD2-NZ 3.02Å; T445-K447 PolarHBondContact O-N 3.39Å; T445-K447 VanDerWaalsContact O-N 3.14Å; K447-L450 PolarHBondContact O-N 3.44Å
448Q55.3Low59.7Low69 Ų6978.1 Ų78.132%0.32242%0.418SS..Hα-helixtrans-73.2-28.5178.4-73.1165.99.800113.1T445 P446 L450T445-Q448 PolarHBondContact O-N 3.37Å; T445-Q448 WeakPolarHBondContact OG1-CG 3.31Å; T445-Q448 PolarHBondContact OG1-N 3.33Å; T445-Q448 PolarHBondContact OG1-NE2 3.38Å; P446-Q448 VanDerWaalsContact C-N 3.34Å; P446-Q448 PolarHBondContact O-N 3.12Å; Q448-L450 PolarHBondContact O-N 3.21Å
449T49.5Very low57.2Low80 Ų8082.2 Ų82.249%0.49145%0.447SS..Hα-helixtrans-70.4-18.4177.254.70000114T445 P446T445-T449 PolarHBondContact O-N 3.3Å; P446-T449 WeakPolarHBondContact CA-OG1 3.39Å; P446-T449 PolarHBondContact O-N 3.39Å; P446-T449 PolarHBondContact O-OG1 3.45Å
450L48.6Very low54.8Low142 Ų14283.7 Ų83.774%0.74346%0.456SS*.Hα-helixtrans-89.7-31.3179.8-78.6153.5000113.2K447 Q448K447-L450 PolarHBondContact O-N 3.44Å; Q448-L450 PolarHBondContact O-N 3.21Å
451D47Very low52.4Low154 Ų15488.7 Ų88.782%0.82448%0.482SS*.Hα-helixtrans-80.5-18-179.2-81.4-19.1000113.6
452L41.1Very low50Low105 Ų10599 Ų9955%0.5552%0.52SS..SBendtrans-9888.2175.1-78.9149.8000108.5F454L452-F454 HydrophobicContact CB-CD2 4.07Å; L452-F454 HydrophobicContact CB-CE2 4.46Å; L452-F454 HydrophobicContact CD2-CE2 4.09Å; L452-F454 PolarHBondContact O-N 3.25Å
453G36.2Very low47.9Very low82 Ų82103.6 Ų103.685%0.84554%0.542SS*.  trans-61.352.4-176.100000117
454F38.5Very low46.4Very low146 Ų146111.7 Ų111.764%0.6457%0.573SS**  trans-79.7124178.7-86.4-86.4000111.2L452 F456L452-F454 HydrophobicContact CB-CD2 4.07Å; L452-F454 HydrophobicContact CB-CE2 4.46Å; L452-F454 HydrophobicContact CD2-CE2 4.09Å; L452-F454 PolarHBondContact O-N 3.25Å; F454-F456 PolarHBondContact O-N 2.87Å
455K35.5Very low45.5Very low193 Ų193112.1 Ų112.184%0.83958%0.579SS**  trans-64.7115.7163.4-73.5179.2175.7178.30108.3T457K455-T457 PolarHBondContact O-N 3.18Å
456F36.5Very low45.2Very low153 Ų153111.7 Ų111.767%0.67158%0.576SS**  trans-60.2115.2177.1-71.2-81.2000110.9F454F454-F456 PolarHBondContact O-N 2.87Å
457T37.7Very low45.9Very low73 Ų73109.7 Ų109.745%0.44856%0.561SS.*  trans-105.7156164.855.40000108.7K455 S459 T460K455-T457 PolarHBondContact O-N 3.18Å; T457-S459 PolarHBondContact O-N 3.49Å; T457-S459 PolarHBondContact OG1-OG 2.87Å; T457-T460 PolarHBondContact N-OG1 3.18Å; T457-T460 PolarHBondContact O-N 3.42Å; T457-T460 PolarHBondContact O-OG1 3.48Å; T457-T460 PolarHBondContact OG1-OG1 3.39Å; T457-T460 VanDerWaalsContact OG1-OG1 3.07Å
458S40.5Very low46.9Very low111 Ų111104 Ų10478%0.77654%0.537SS*.THydrogen-bonded Turntrans-57.3-18.5177.8390000114.2
459S39.2Very low48.3Very low87 Ų87102.4 Ų102.461%0.60853%0.528SS*.THydrogen-bonded Turntrans-80.5-25.5173.255.50000114.8T457 I461T457-S459 PolarHBondContact O-N 3.49Å; T457-S459 PolarHBondContact OG1-OG 2.87Å; S459-I461 VanDerWaalsContact C-N 3.33Å
460T39.5Very low50.1Low31 Ų3199 Ų9919%0.1951%0.507CS..G310 helixtrans-81-13.6178.7220000113T457 R462 Q463T457-T460 PolarHBondContact N-OG1 3.18Å; T457-T460 PolarHBondContact O-N 3.42Å; T457-T460 PolarHBondContact O-OG1 3.48Å; T457-T460 PolarHBondContact OG1-OG1 3.39Å; T457-T460 VanDerWaalsContact OG1-OG1 3.07Å; T460-R462 VanDerWaalsContact C-N 3.26Å; T460-R462 PolarHBondContact O-N 3.43Å; T460-Q463 PolarHBondContact O-N 3.12Å; T460-Q463 VanDerWaalsContact O-N 3.17Å
461I40.4Very low51.9Low105 Ų10596.2 Ų96.254%0.53849%0.487SS..G310 helixtrans-67.9-27.8176.5-62.1174000111.5S459 Q463S459-I461 VanDerWaalsContact C-N 3.33Å; I461-Q463 VanDerWaalsContact C-N 3.34Å
462R39.5Very low53.9Low215 Ų21589.4 Ų89.481%0.81145%0.45SS*.G310 helixtrans-77.3-13.3173.7-72.2-171.4179.6-174.6-0.1114.2T460 R464T460-R462 VanDerWaalsContact C-N 3.26Å; T460-R462 PolarHBondContact O-N 3.43Å; R462-R464 VanDerWaalsContact C-N 3.25Å; R462-R464 PolarHBondContact O-N 3.02Å
463Q42.7Very low56.1Low125 Ų12584.4 Ų84.458%0.58442%0.424SS*.G310 helixtrans-833.7177.1-77.9-175.7-20.200113.7T460 I461 D465T460-Q463 PolarHBondContact O-N 3.12Å; T460-Q463 VanDerWaalsContact O-N 3.17Å; I461-Q463 VanDerWaalsContact C-N 3.34Å; Q463-D465 VanDerWaalsContact C-N 3.27Å
464R48.2Very low58.5Low172 Ų17283.7 Ų83.765%0.64940%0.401SS*.G310 helixtrans-71.8-21.4175-77.2-170.6175.3-177.8-0.3113.3R462 G466R462-R464 VanDerWaalsContact C-N 3.25Å; R462-R464 PolarHBondContact O-N 3.02Å; R464-G466 PolarHBondContact O-N 3.3Å; R464-G466 VanDerWaalsContact O-N 3.1Å
465D52.1Low60.3Low94 Ų9480 Ų8050%0.50339%0.39SS..SBendtrans-72.4103.9174.4-65.1-29.6000108.1Q463Q463-D465 VanDerWaalsContact C-N 3.27Å
466G59.8Low61.8Low0 Ų073.5 Ų73.50%036%0.364CS..  trans-45.3156.9-177.800000115.7Q442 R464 E468Q442-G466 CarbonylContact O-C 3.56Å; Q442-G466 WeakPolarHBondContact O-CA 3.37Å; R464-G466 PolarHBondContact O-N 3.3Å; R464-G466 VanDerWaalsContact O-N 3.1Å; G466-E468 PolarHBondContact O-N 2.98Å
467I75.6Confident62.6Low33 Ų3370 Ų7017%0.16936%0.359CS..EExtended strand (participates in β ladder)trans-70.8123179.8-56.3173000109.5Q442Q442-I467 HydrophobicContact CB-CB 4.11Å; Q442-I467 VanDerWaalsContact CB-O 3.3Å; Q442-I467 WeakPolarHBondContact CB-O 3.45Å; Q442-I467 PolarHBondContact N-O 3.43Å; Q442-I467 PolarHBondContact O-N 3.12Å
468E82.4Confident62.9Low14 Ų1472.3 Ų72.37%0.06537%0.367CS..EExtended strand (participates in β ladder)trans-109.8145.9-179.9-66.7172.4-12800111.9K414 Y439 A440 W441 G466 V499K414-E468 VanDerWaalsContact CE-CD 3.45Å; K414-E468 WeakPolarHBondContact CE-OE1 3.13Å; K414-E468 IonicContact NZ-OE1 3.91Å; K414-E468 PolarHBondContact NZ-OE1 3.38Å; Y439-E468 HydrophobicContact CE2-CB 4.47Å; Y439-E468 PolarHBondContact OH-OE2 2.66Å; A440-E468 CarbonylContact O-C 3.53Å; A440-E468 WeakPolarHBondContact O-CA 3.31Å; W441-E468 HydrophobicContact CG-CG 4.45Å; G466-E468 PolarHBondContact O-N 2.98Å; E468-V499 HydrophobicContact CB-CG2 3.2Å; E468-V499 HydrophobicContact CG-CG2 4.25Å
469R85.1Confident62.6Low35 Ų3575.9 Ų75.913%0.13236%0.364CS..EExtended strand (participates in β ladder)trans-141.4137.1176.2-60.2179.8-179.578.4-10110.3Y439 A440 Y471 P540 D541 L542Y439-R469 CarbonylContact C-O 3.51Å; Y439-R469 WeakPolarHBondContact CA-O 3.42Å; A440-R469 PolarHBondContact N-O 2.72Å; A440-R469 PolarHBondContact O-N 3.19Å; R469-Y471 HydrophobicContact CB-CD2 4.3Å; R469-Y471 HydrophobicContact CB-CE2 3.74Å; R469-Y471 HydrophobicContact CG-CE2 4.42Å; R469-P540 PolarHBondContact NH1-O 3.38Å; R469-D541 IonicContact NH2-OD1 3.23Å; R469-D541 PolarHBondContact NH2-OD1 3.46Å; R469-D541 VanDerWaalsContact NH2-OD1 3.07Å; R469-L542 HydrophobicContact CB-CD1 4.24Å
470L86.4Confident62.3Low10 Ų1076.6 Ų76.65%0.05236%0.364CS..EExtended strand (participates in β ladder)trans-128.2128174.5179.267.5000109.4F418 F437 I438 Y439 V499 W501 I503 M504F418-L470 HydrophobicContact CE1-CD1 4.15Å; F437-L470 HydrophobicContact CB-CD1 4.17Å; F437-L470 HydrophobicContact CD1-CD1 4.49Å; I438-L470 WeakPolarHBondContact O-CA 3.45Å; Y439-L470 HydrophobicContact CD2-CD1 4.45Å; L470-V499 HydrophobicContact CB-CG1 3.38Å; L470-V499 HydrophobicContact CD2-CG1 3.83Å; L470-V499 HydrophobicContact CG-CG1 4.25Å; L470-W501 HydrophobicContact CD2-CE3 4.04Å; L470-W501 HydrophobicContact CD2-CZ3 4.3Å; L470-I503 HydrophobicContact CD2-CB 4.13Å; L470-M504 HydrophobicContact CD2-CG 4.16Å
471Y85.9Confident61.7Low83 Ų8378.7 Ų78.733%0.32539%0.392SS..EExtended strand (participates in β ladder)trans-129.4141.8179.9-69.7-87000111.1F437 I438 R469 L542F437-Y471 CarbonylContact C-O 3.56Å; F437-Y471 VanDerWaalsContact CA-O 3.3Å; F437-Y471 WeakPolarHBondContact CA-O 3.35Å; I438-Y471 PolarHBondContact N-O 3.34Å; I438-Y471 PolarHBondContact O-N 2.8Å; R469-Y471 HydrophobicContact CB-CD2 4.3Å; R469-Y471 HydrophobicContact CB-CE2 3.74Å; R469-Y471 HydrophobicContact CG-CE2 4.42Å; Y471-L542 HydrophobicContact CD2-CB 4.08Å; Y471-L542 HydrophobicContact CD2-CD1 3.47Å; Y471-L542 VanDerWaalsContact CD2-CD1 3.47Å; Y471-L542 HydrophobicContact CD2-CG 4.44Å; Y471-L542 HydrophobicContact CE2-CB 3.67Å; Y471-L542 HydrophobicContact CE2-CD1 3.59Å; Y471-L542 HydrophobicContact CE2-CG 4.27Å
472H88.8Confident61.1Low10 Ų1079 Ų795%0.04640%0.404CS..EExtended strand (participates in β ladder)trans-87.1132.1165-172.2-80.9000109.7S436 F437 D474 T475 I503 Q506 P507S436-H472 WeakPolarHBondContact O-CA 3.49Å; F437-H472 HydrophobicContact CD1-CB 4.27Å; F437-H472 HydrophobicContact CE1-CB 4.15Å; F437-H472 AromaticContact CE1-CD2 3.45Å; F437-H472 VanDerWaalsContact CE1-CD2 3.45Å; F437-H472 WeakPolarHBondContact CE1-CD2 3.46Å; F437-H472 AromaticContact CZ-CD2 3.76Å; H472-D474 IonicContact CE1-OD2 3.11Å; H472-D474 PolarHBondContact CE1-OD2 3.41Å; H472-D474 VanDerWaalsContact CE1-OD2 3.3Å; H472-D474 PolarHBondContact ND1-N 2.77Å; H472-D474 VanDerWaalsContact ND1-N 3.2Å; H472-D474 IonicContact ND1-OD2 2.78Å; H472-D474 PolarHBondContact O-N 3.45Å; H472-T475 PolarHBondContact O-N 3.14Å; H472-I503 HydrophobicContact CB-CG2 4.31Å; H472-Q506 PolarHBondContact CD2-OE1 2.92Å; H472-P507 PolarHBondContact NE2-O 3.32Å; H472-P507 VanDerWaalsContact NE2-O 3.07Å
473I87.3Confident60.6Low0 Ų074 Ų740%040%0.402CS..THydrogen-bonded Turntrans-58.7-32.9-171.8-166.367.9000113.7S436 I438 T475 I513 I527S436-I473 PolarHBondContact O-N 3.48Å; I438-I473 HydrophobicContact CD1-CD1 3.75Å; I438-I473 HydrophobicContact CG1-CD1 4.28Å; I473-T475 VanDerWaalsContact C-N 3.33Å; I473-I513 HydrophobicContact CB-CD1 4.1Å; I473-I513 HydrophobicContact CB-CG1 4.14Å; I473-I513 HydrophobicContact CD1-CD1 3.79Å; I473-I513 HydrophobicContact CD1-CG1 3.99Å; I473-I513 HydrophobicContact CG1-CD1 4.05Å; I473-I513 HydrophobicContact CG1-CG1 3.85Å; I473-I513 HydrophobicContact CG2-CG1 4.42Å; I473-I527 HydrophobicContact CD1-CD1 4.38Å; I473-I527 HydrophobicContact CD1-CG2 4.05Å
474D86.2Confident59.8Low68 Ų6872.7 Ų72.736%0.36441%0.407SS..THydrogen-bonded Turntrans-81.1-10.9179.9-61.5-35.6000113.6H472 I476 S509 R529H472-D474 IonicContact CE1-OD2 3.11Å; H472-D474 PolarHBondContact CE1-OD2 3.41Å; H472-D474 VanDerWaalsContact CE1-OD2 3.3Å; H472-D474 PolarHBondContact ND1-N 2.77Å; H472-D474 VanDerWaalsContact ND1-N 3.2Å; H472-D474 IonicContact ND1-OD2 2.78Å; H472-D474 PolarHBondContact O-N 3.45Å; D474-I476 PolarHBondContact O-N 2.93Å; D474-S509 PolarHBondContact OD1-OG 2.99Å; D474-S509 VanDerWaalsContact OD1-OG 3.07Å; D474-S509 WeakPolarHBondContact OD2-CA 3.5Å; D474-S509 WeakPolarHBondContact OD2-CB 3.47Å; D474-S509 PolarHBondContact OD2-OG 2.86Å; D474-R529 IonicContact OD1-CZ 2.88Å; D474-R529 IonicContact OD1-NH1 3.23Å; D474-R529 PolarHBondContact OD1-NH1 2.91Å
475T78Confident59.1Low67 Ų6774.6 Ų74.641%0.41142%0.42SS..  trans-90.388.6-179-54.60000110H472 I473 S477H472-T475 PolarHBondContact O-N 3.14Å; I473-T475 VanDerWaalsContact C-N 3.33Å; T475-S477 PolarHBondContact O-N 3.34Å
476I66.5Low58.1Low58 Ų5876.3 Ų76.330%0.29743%0.433SS..  trans-85.694.5175.8-53.9174.6000109.4D474 L478 F544D474-I476 PolarHBondContact O-N 2.93Å; I476-L478 HydrophobicContact CG2-CG 4.23Å; I476-L478 PolarHBondContact O-N 3.48Å; I476-L478 VanDerWaalsContact O-N 3.1Å; I476-F544 HydrophobicContact CD1-CZ 4.49Å; I476-F544 HydrophobicContact CG2-CD1 3.66Å; I476-F544 HydrophobicContact CG2-CE1 3.91Å; I476-F544 HydrophobicContact CG2-CG 4.01Å; I476-F544 HydrophobicContact CG2-CZ 4.46Å
477S53.2Low56.7Low80 Ų8083.7 Ų83.756%0.55947%0.473SS*.  trans-78.390171.3-58.80000111T475 R479T475-S477 PolarHBondContact O-N 3.34Å; S477-R479 PolarHBondContact O-N 3.17Å
478L42.8Very low54.4Low120 Ų12089.5 Ų89.563%0.62850%0.504SS*.  trans-67.793.3167-78.2146.9000109.5I476 T480I476-L478 HydrophobicContact CG2-CG 4.23Å; I476-L478 PolarHBondContact O-N 3.48Å; I476-L478 VanDerWaalsContact O-N 3.1Å; L478-T480 HydrophobicContact CB-CG2 4.45Å; L478-T480 HydrophobicContact CD2-CG2 4.11Å; L478-T480 PolarHBondContact O-N 3.09Å
479R36Very low52Low186 Ų18694.9 Ų94.970%0.70253%0.534SS*.  trans-75.471162.6-72.4-167.5-171.3-1713.6109.1S477S477-R479 PolarHBondContact O-N 3.17Å
480T32.9Very low49.4Very low102 Ų102100.9 Ų100.963%0.62657%0.567SS**  trans-95.2115.717145.60000109.6L478L478-T480 HydrophobicContact CB-CG2 4.45Å; L478-T480 HydrophobicContact CD2-CG2 4.11Å; L478-T480 PolarHBondContact O-N 3.09Å
481G26.4Very low46.9Very low75 Ų75104.8 Ų104.877%0.77360%0.595SS**  trans-62131.4175.300000112.6
482S27Very low44.4Very low111 Ų111105 Ų10578%0.77661%0.608SS**  trans174.7110.1139.944.20000109.4
483S29Very low41.8Very low111 Ų111107.7 Ų107.778%0.77663%0.628SS**  trans147.1106145.555.30000111.4F485S483-F485 PolarHBondContact O-N 3.5Å
484S26.6Very low39.6Very low98 Ų98111.7 Ų111.769%0.68565%0.652SS**  trans21.798.6142.757.20000117
485F32.8Very low37.4Very low211 Ų211115.4 Ų115.493%0.92567%0.666SS**  -156121.5127.5-85.6-67.8000107.4S483 D487S483-F485 PolarHBondContact O-N 3.5Å; F485-D487 PolarHBondContact O-N 3.06Å
486V30.6Very low35.9Very low130 Ų130118.8 Ų118.879%0.78868%0.677SS**  trans-65.1118.3165.9175.90000105.6
487D30.8Very low35.3Very low155 Ų155119.4 Ų119.483%0.82968%0.683SS**  trans-166.3130.1144.5-89.6-26.2000109.4F485 D489F485-D487 PolarHBondContact O-N 3.06Å; D487-D489 PolarHBondContact O-N 3.2Å
488D27.8Very low35.6Very low155 Ų155123.5 Ų123.583%0.82969%0.694SS**  trans-60.8106-178.3-72.4-48.2000111.7
489D31Very low37.1Very low127 Ų127118.8 Ų118.868%0.67967%0.67SS**  trans-167.842.1159.5-103.6-18.7000114.9D487 S491D487-D489 PolarHBondContact O-N 3.2Å; D489-S491 PolarHBondContact O-N 3.24Å; D489-S491 VanDerWaalsContact O-N 3.07Å
490I31.8Very low38.9Very low162 Ų162114.1 Ų114.183%0.83166%0.659SS**THydrogen-bonded Turntrans-72.92.5-178.8-65.8169.7000113.2
491S32.4Very low41.2Very low92 Ų92111.7 Ų111.764%0.64364%0.638SS**THydrogen-bonded Turntrans-93.7-9-173670000115.9D489D489-S491 PolarHBondContact O-N 3.24Å; D489-S491 VanDerWaalsContact O-N 3.07Å
492S34Very low43.8Very low87 Ų87113.3 Ų113.361%0.60863%0.629SS**SBendtrans-101.3-21.1-167.359.50000116.2
493S33.9Very low46.3Very low66 Ų66110 Ų11046%0.46260%0.603SS.*SBendtrans-102.65-172.271.70000116.3
494V41.3Very low48.7Very low84 Ų84107.3 Ų107.351%0.50958%0.578SS.*SBendtrans-102.7-10.8-176.1-1780000112.2
495F39.8Very low51.3Low146 Ų146109.1 Ų109.164%0.6458%0.58SS**  trans-12744.4-174.3-59.4-73.8000112.9T497F495-T497 PolarHBondContact O-N 3.24Å; F495-T497 VanDerWaalsContact O-N 3.13Å
496Q46.8Very low53.6Low138 Ų138102.6 Ų102.665%0.64555%0.553SS**  trans-68.8110.9167.7-88.2179.9-2500109.1
497T54Low56.1Low71 Ų71101.6 Ų101.644%0.43655%0.549SS..  trans-89.8-18.8174.233.50000111.9F495F495-T497 PolarHBondContact O-N 3.24Å; F495-T497 VanDerWaalsContact O-N 3.13Å
498E61Low58.6Low166 Ų16699.3 Ų99.378%0.77654%0.54SS*.SBendtrans-113.8128.8176.4-69-175.9170.900111
499V72.6Confident61.5Low21 Ų2192.3 Ų92.313%0.12750%0.504CS..  trans-78131.6173.5177.10000110.2Y439 E468 L470 W501Y439-V499 HydrophobicContact CE2-CG2 4.36Å; E468-V499 HydrophobicContact CB-CG2 3.2Å; E468-V499 HydrophobicContact CG-CG2 4.25Å; L470-V499 HydrophobicContact CB-CG1 3.38Å; L470-V499 HydrophobicContact CD2-CG1 3.83Å; L470-V499 HydrophobicContact CG-CG1 4.25Å; V499-W501 HydrophobicContact CG1-CD2 4.31Å; V499-W501 VanDerWaalsContact O-CD1 3.25Å; V499-W501 PolarHBondContact O-N 3.44Å; V499-W501 VanDerWaalsContact O-N 3.07Å
500D75Confident64.3Low88 Ų8892 Ų9247%0.47151%0.511SS..  trans-7594.8166-17412000110.7N502 I503D500-N502 PolarHBondContact O-N 2.83Å; D500-N502 WeakPolarHBondContact OD1-CB 3.33Å; D500-N502 VanDerWaalsContact OD1-CG 3.27Å; D500-N502 PolarHBondContact OD1-N 2.77Å; D500-N502 PolarHBondContact OD1-ND2 3.47Å; D500-I503 WeakPolarHBondContact O-CG1 3Å; D500-I503 PolarHBondContact O-N 3.42Å
501W81.2Confident67.1Low51 Ų5185.2 Ų85.219%0.19348%0.477CS..G310 helixtrans-66-11.2177-67.196.1000113.3V416 Q417 F418 Y439 L470 V499 I503 M504V416-W501 HydrophobicContact CB-CH2 4.43Å; V416-W501 HydrophobicContact CG1-CH2 3.95Å; V416-W501 HydrophobicContact CG1-CZ3 4.35Å; Q417-W501 HydrophobicContact CB-CD2 4.37Å; Q417-W501 HydrophobicContact CB-CE3 3.77Å; Q417-W501 HydrophobicContact CB-CZ3 3.87Å; Q417-W501 HydrophobicContact CG-CD2 3.86Å; Q417-W501 HydrophobicContact CG-CE3 3.79Å; Q417-W501 HydrophobicContact CG-CG 4.42Å; Q417-W501 HydrophobicContact CG-CH2 4.49Å; Q417-W501 HydrophobicContact CG-CZ3 4.12Å; F418-W501 HydrophobicContact CD1-CZ3 4.3Å; Y439-W501 HydrophobicContact CD2-CH2 4.02Å; Y439-W501 AromaticContact CE2-CH2 3.84Å; Y439-W501 HydrophobicContact CE2-CH2 3.84Å; Y439-W501 HydrophobicContact CE2-CZ2 4.09Å; L470-W501 HydrophobicContact CD2-CE3 4.04Å; L470-W501 HydrophobicContact CD2-CZ3 4.3Å; V499-W501 HydrophobicContact CG1-CD2 4.31Å; V499-W501 VanDerWaalsContact O-CD1 3.25Å; V499-W501 PolarHBondContact O-N 3.44Å; V499-W501 VanDerWaalsContact O-N 3.07Å; W501-I503 PolarHBondContact O-N 3.38Å; W501-I503 VanDerWaalsContact O-N 3.12Å; W501-M504 HydrophobicContact CE3-CG 4.41Å; W501-M504 HydrophobicContact CE3-SD 3.61Å; W501-M504 HydrophobicContact CZ3-SD 3.95Å; W501-M504 WeakPolarHBondContact O-CB 3.46Å; W501-M504 PolarHBondContact O-N 3.39Å
502N79.7Confident70Confident109 Ų10981.5 Ų81.558%0.58345%0.45SS*.G310 helixtrans-62.5-18.8174.6-64.7-52.8000112.9D500 M504 N505D500-N502 PolarHBondContact O-N 2.83Å; D500-N502 WeakPolarHBondContact OD1-CB 3.33Å; D500-N502 VanDerWaalsContact OD1-CG 3.27Å; D500-N502 PolarHBondContact OD1-N 2.77Å; D500-N502 PolarHBondContact OD1-ND2 3.47Å; N502-M504 PolarHBondContact O-N 3.06Å; N502-N505 WeakPolarHBondContact O-CB 3.34Å; N502-N505 PolarHBondContact O-N 2.96Å
503I80Confident72.8Confident43 Ų4377.5 Ų77.522%0.22142%0.422CS..G310 helixtrans-56.8-29.3172-62.4170.4000111F437 L470 H472 D500 W501 N505 Q506F437-I503 HydrophobicContact CD1-CG2 4.39Å; F437-I503 HydrophobicContact CE1-CG2 4.04Å; F437-I503 WeakPolarHBondContact CE1-O 3.48Å; L470-I503 HydrophobicContact CD2-CB 4.13Å; H472-I503 HydrophobicContact CB-CG2 4.31Å; D500-I503 WeakPolarHBondContact O-CG1 3Å; D500-I503 PolarHBondContact O-N 3.42Å; W501-I503 PolarHBondContact O-N 3.38Å; W501-I503 VanDerWaalsContact O-N 3.12Å; I503-N505 PolarHBondContact O-N 3.15Å; I503-Q506 VanDerWaalsContact O-CB 3.31Å; I503-Q506 WeakPolarHBondContact O-CB 3.31Å; I503-Q506 VanDerWaalsContact O-CG 3.31Å; I503-Q506 WeakPolarHBondContact O-CG 3.19Å; I503-Q506 PolarHBondContact O-N 3.43Å; I503-Q506 VanDerWaalsContact O-N 3.09Å
504M79Confident75.6Confident53 Ų5375.5 Ų75.526%0.26141%0.408SS..G310 helixtrans-65.8-14.9176.6-71.4-173.157.800114.4Q417 F418 F437 L470 W501 N502 Q506Q417-M504 HydrophobicContact CB-CE 4.5Å; Q417-M504 HydrophobicContact CB-SD 3.95Å; F418-M504 HydrophobicContact CB-CE 3.69Å; F418-M504 HydrophobicContact CB-SD 4.38Å; F418-M504 HydrophobicContact CD1-SD 4.24Å; F437-M504 HydrophobicContact CZ-CB 4.47Å; L470-M504 HydrophobicContact CD2-CG 4.16Å; W501-M504 HydrophobicContact CE3-CG 4.41Å; W501-M504 HydrophobicContact CE3-SD 3.61Å; W501-M504 HydrophobicContact CZ3-SD 3.95Å; W501-M504 WeakPolarHBondContact O-CB 3.46Å; W501-M504 PolarHBondContact O-N 3.39Å; N502-M504 PolarHBondContact O-N 3.06Å; M504-Q506 PolarHBondContact O-N 3.43Å
505N82.4Confident78.1Confident136 Ų13671.6 Ų71.673%0.72739%0.385SS*.G310 helixtrans-76.9-4.7173.8-63.3-31.8000113N502 I503N502-N505 WeakPolarHBondContact O-CB 3.34Å; N502-N505 PolarHBondContact O-N 2.96Å; I503-N505 PolarHBondContact O-N 3.15Å
506Q81.3Confident80.7Confident74 Ų7464.7 Ų64.735%0.34635%0.354SS..SBendtrans-66.5147172.3-69.4-175.58.600111H472 I503 M504H472-Q506 PolarHBondContact CD2-OE1 2.92Å; I503-Q506 VanDerWaalsContact O-CB 3.31Å; I503-Q506 WeakPolarHBondContact O-CB 3.31Å; I503-Q506 VanDerWaalsContact O-CG 3.31Å; I503-Q506 WeakPolarHBondContact O-CG 3.19Å; I503-Q506 PolarHBondContact O-N 3.43Å; I503-Q506 VanDerWaalsContact O-N 3.09Å; M504-Q506 PolarHBondContact O-N 3.43Å
507P82.6Confident83Confident109 Ų10958.6 Ų58.671%0.70833%0.326SS*.PPolyproline II helixtrans-62.8147.8-179.127.4-35.3000111.1H472 S509H472-P507 PolarHBondContact NE2-O 3.32Å; H472-P507 VanDerWaalsContact NE2-O 3.07Å; P507-S509 PolarHBondContact O-N 2.87Å
508V83.6Confident84.8Confident108 Ų10855.6 Ų55.666%0.65531%0.307SS*.PPolyproline II helixtrans-55.3131.4172.9-177.80000109.3S436 S510S436-V508 WeakPolarHBondContact OG-CG1 2.93Å; V508-S510 PolarHBondContact O-N 2.88Å
509S88Confident86.2Confident8 Ų847.8 Ų47.86%0.05627%0.272CS..PPolyproline II helixtrans-54.1136.9178.5-172.90000111.4S436 D474 P507 D511S436-S509 PolarHBondContact OG-N 3.38Å; D474-S509 PolarHBondContact OD1-OG 2.99Å; D474-S509 VanDerWaalsContact OD1-OG 3.07Å; D474-S509 WeakPolarHBondContact OD2-CA 3.5Å; D474-S509 WeakPolarHBondContact OD2-CB 3.47Å; D474-S509 PolarHBondContact OD2-OG 2.86Å; P507-S509 PolarHBondContact O-N 2.87Å; S509-D511 PolarHBondContact O-N 2.88Å; S509-D511 PolarHBondContact OG-N 3.26Å; S509-D511 PolarHBondContact OG-O 3.38Å
510S89.5Confident86.7Confident120 Ų12052.2 Ų52.284%0.83929%0.29SS*.SBendtrans-69.1-16.717762.20000113.6V508V508-S510 PolarHBondContact O-N 2.88Å
511D90.9Very high87Confident20 Ų2051.7 Ų51.711%0.10729%0.294CS..SBendtrans-13593.6171.5171.632000107.8S509 R529 E530 S531S509-D511 PolarHBondContact O-N 2.88Å; S509-D511 PolarHBondContact OG-N 3.26Å; S509-D511 PolarHBondContact OG-O 3.38Å; D511-R529 VanDerWaalsContact CB-NH2 3.32Å; D511-R529 VanDerWaalsContact CG-CZ 3.47Å; D511-R529 VanDerWaalsContact CG-NH2 3.27Å; D511-R529 PolarHBondContact O-NE 2.97Å; D511-R529 PolarHBondContact O-NH1 3.33Å; D511-R529 WeakPolarHBondContact OD2-CB 3.41Å; D511-R529 IonicContact OD2-CZ 2.72Å; D511-R529 IonicContact OD2-NE 2.99Å; D511-R529 PolarHBondContact OD2-NE 2.8Å; D511-R529 IonicContact OD2-NH2 3.82Å; D511-R529 PolarHBondContact OD2-NH2 2.69Å; D511-E530 WeakPolarHBondContact OD1-CB 3.42Å; D511-E530 PolarHBondContact OD1-N 3.43Å; D511-E530 VanDerWaalsContact OD1-N 3.14Å; D511-S531 PolarHBondContact OD1-N 3.45Å; D511-S531 WeakPolarHBondContact OD2-CB 3.43Å; D511-S531 PolarHBondContact OD2-OG 3.4Å
512P92.7Very high87.1Confident14 Ų1451.8 Ų51.89%0.09130%0.3CS..  trans-74.9164.2-167.231.2-36.2000112.6K435 S514 R529 E530K435-P512 HydrophobicContact CB-CB 3.73Å; K435-P512 HydrophobicContact CD-CB 4.45Å; K435-P512 HydrophobicContact CG-CB 4.3Å; K435-P512 CarbonylContact O-C 3.57Å; K435-P512 WeakPolarHBondContact O-CA 3.28Å; K435-P512 WeakPolarHBondContact O-CB 3.43Å; P512-S514 PolarHBondContact O-N 2.86Å; P512-R529 VanDerWaalsContact O-CA 3.31Å; P512-R529 WeakPolarHBondContact O-CA 3.43Å; P512-E530 WeakPolarHBondContact CD-OE2 3.43Å; P512-E530 HydrophobicContact CG-CB 4.48Å; P512-E530 HydrophobicContact CG-CG 3.83Å; P512-E530 WeakPolarHBondContact CG-OE1 3.49Å; P512-E530 VanDerWaalsContact CG-OE2 3.27Å; P512-E530 WeakPolarHBondContact CG-OE2 3.25Å; P512-E530 PolarHBondContact O-N 3.32Å
513I93.6Very high87.5Confident3 Ų354.1 Ų54.12%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-66.9129.6173.7-54.9-178.8000109.5I433 N434 K435 I438 I473 I527I433-I513 HydrophobicContact CB-CD1 4.33Å; I433-I513 HydrophobicContact CB-CG2 4.4Å; I433-I513 HydrophobicContact CD1-CG2 3.49Å; I433-I513 VanDerWaalsContact CD1-CG2 3.49Å; I433-I513 HydrophobicContact CG2-CD1 4.21Å; N434-I513 WeakPolarHBondContact O-CD1 3.34Å; K435-I513 PolarHBondContact O-N 3.21Å; I438-I513 HydrophobicContact CG1-CD1 3.97Å; I473-I513 HydrophobicContact CB-CD1 4.1Å; I473-I513 HydrophobicContact CB-CG1 4.14Å; I473-I513 HydrophobicContact CD1-CD1 3.79Å; I473-I513 HydrophobicContact CD1-CG1 3.99Å; I473-I513 HydrophobicContact CG1-CD1 4.05Å; I473-I513 HydrophobicContact CG1-CG1 3.85Å; I473-I513 HydrophobicContact CG2-CG1 4.42Å; I513-I527 HydrophobicContact CB-CG2 4.42Å; I513-I527 HydrophobicContact CD1-CG2 4.15Å; I513-I527 HydrophobicContact CG1-CG2 4.16Å; I513-I527 HydrophobicContact CG2-CG2 3.52Å
514S92.2Very high87.9Confident23 Ų2354.4 Ų54.416%0.16130%0.299CS..EExtended strand (participates in β ladder)trans-98.3-45.5176.973.70000112.9P512 A528 P555P512-S514 PolarHBondContact O-N 2.86Å; S514-A528 PolarHBondContact N-O 2.96Å; S514-A528 PolarHBondContact OG-O 3.35Å; S514-P555 VanDerWaalsContact CB-O 3.25Å; S514-P555 WeakPolarHBondContact CB-O 3.24Å; S514-P555 PolarHBondContact OG-O 3.33Å
515T94.1Very high88.6Confident3 Ų351.9 Ų51.92%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-160166.9-178.2-173.90000111.9Q422 A528 P555 I558Q422-T515 PolarHBondContact OE1-OG1 3.33Å; T515-A528 HydrophobicContact CG2-CB 3.71Å; T515-A528 PolarHBondContact O-N 3.29Å; T515-P555 HydrophobicContact CG2-CB 4.35Å; T515-I558 HydrophobicContact CG2-CB 4.44Å; T515-I558 HydrophobicContact CG2-CD1 4.46Å; T515-I558 HydrophobicContact CG2-CG1 3.99Å; T515-I558 HydrophobicContact CG2-CG2 3.94Å
516L95.2Very high89.2Confident1 Ų145.5 Ų45.51%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-137.3162.9173.86981000112.7Q422 M424 I431 I433 L525 L526 I527Q422-L516 PolarHBondContact NE2-O 3.09Å; Q422-L516 VanDerWaalsContact OE1-N 3.1Å; M424-L516 HydrophobicContact CB-CD1 3.69Å; M424-L516 HydrophobicContact CG-CD1 3.34Å; M424-L516 HydrophobicContact SD-CD1 3.27Å; M424-L516 WeakPolarHBondContact SD-CD1 3.5Å; I431-L516 HydrophobicContact CG2-CD2 4.27Å; I433-L516 HydrophobicContact CB-CD2 4Å; I433-L516 HydrophobicContact CD1-CB 4.14Å; I433-L516 HydrophobicContact CD1-CD2 3.6Å; I433-L516 HydrophobicContact CD1-CG 3.92Å; I433-L516 HydrophobicContact CG1-CD2 3.48Å; I433-L516 VanDerWaalsContact CG1-CD2 3.48Å; I433-L516 HydrophobicContact CG1-CG 4.29Å; I433-L516 HydrophobicContact CG2-CD2 3.4Å; L516-L525 HydrophobicContact CB-CD1 4.33Å; L516-L525 HydrophobicContact CD1-CD1 4.2Å; L516-L525 HydrophobicContact CD2-CD1 4.5Å; L516-L526 CarbonylContact C-O 3.57Å; L516-L526 VanDerWaalsContact CA-O 3.22Å; L516-L526 WeakPolarHBondContact CA-O 3.37Å; L516-L526 WeakPolarHBondContact CB-O 3.44Å; L516-I527 HydrophobicContact CB-CG1 4.26Å
517T94.6Very high89.8Confident10 Ų1042 Ų426%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-147.4158.8166.7-162.60000111.5M424 L526 I558 V560M424-T517 VanDerWaalsContact SD-CA 3.57Å; T517-L526 HydrophobicContact CG2-CB 3.94Å; T517-L526 PolarHBondContact N-O 2.94Å; T517-L526 PolarHBondContact O-N 2.91Å; T517-I558 WeakPolarHBondContact CB-O 3.11Å; T517-I558 HydrophobicContact CG2-CB 4.46Å; T517-I558 HydrophobicContact CG2-CD1 3.8Å; T517-I558 HydrophobicContact CG2-CG1 3.69Å; T517-I558 PolarHBondContact OG1-O 3.3Å; T517-V560 HydrophobicContact CG2-CB 4.22Å; T517-V560 HydrophobicContact CG2-CG1 4.1Å
518I92.6Very high90.4Very high7 Ų736.8 Ų36.84%0.03620%0.202CC..EExtended strand (participates in β ladder)trans-121.3133.2178.5-63.8173.3000109.6M424 T426 I431 R524 L525 L539M424-I518 HydrophobicContact CB-CD1 3.54Å; M424-I518 HydrophobicContact CB-CG1 4.22Å; M424-I518 HydrophobicContact CG-CD1 4.43Å; M424-I518 HydrophobicContact SD-CB 3.99Å; M424-I518 HydrophobicContact SD-CD1 4.01Å; M424-I518 HydrophobicContact SD-CG1 3.68Å; M424-I518 PolarHBondContact SD-N 3.4Å; M424-I518 VanDerWaalsContact SD-N 3.4Å; T426-I518 HydrophobicContact CG2-CD1 3.82Å; T426-I518 HydrophobicContact CG2-CG2 4.03Å; I431-I518 HydrophobicContact CD1-CD1 3.69Å; I431-I518 HydrophobicContact CD1-CG1 4.5Å; I518-R524 WeakPolarHBondContact CA-O 3.48Å; I518-L525 HydrophobicContact CD1-CD1 4.41Å; I518-L525 HydrophobicContact CG1-CD1 3.73Å; I518-L539 HydrophobicContact CG2-CD1 4.32Å
519S90.3Very high90.9Very high3 Ų333 Ų332%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-88.8106.6163.21740000109.5S521 T522 R523 R524S519-S521 VanDerWaalsContact C-N 3.31Å; S519-S521 PolarHBondContact O-N 2.96Å; S519-S521 PolarHBondContact OG-OG 3.22Å; S519-T522 VanDerWaalsContact CB-OG1 3.24Å; S519-T522 WeakPolarHBondContact CB-OG1 3.3Å; S519-T522 PolarHBondContact OG-N 2.92Å; S519-T522 PolarHBondContact OG-OG1 3.43Å; S519-R523 VanDerWaalsContact O-CA 3.29Å; S519-R523 WeakPolarHBondContact O-CA 3.47Å; S519-R523 PolarHBondContact O-N 3.33Å; S519-R524 PolarHBondContact N-O 3.01Å; S519-R524 PolarHBondContact O-N 3.49Å
520H82.7Confident91.1Very high113 Ų11336.9 Ų36.952%0.52319%0.193SC..THydrogen-bonded Turntrans-65.6-33.5179.8-65.1-75.5000112.7
521S80.8Confident91.2Very high78 Ų7833.8 Ų33.855%0.54517%0.172SC..THydrogen-bonded Turntrans-72-44.4-178.558.90000112.6S519 C562S519-S521 VanDerWaalsContact C-N 3.31Å; S519-S521 PolarHBondContact O-N 2.96Å; S519-S521 PolarHBondContact OG-OG 3.22Å; S521-C562 VanDerWaalsContact CB-O 3.24Å; S521-C562 WeakPolarHBondContact CB-O 3.42Å; S521-C562 PolarHBondContact OG-O 3.37Å
522T83.4Confident91.2Very high53 Ų5332.8 Ų32.833%0.32517%0.167SC..THydrogen-bonded Turntrans-96.2-2.5-177.760.20000113.4S519 R524 A564S519-T522 VanDerWaalsContact CB-OG1 3.24Å; S519-T522 WeakPolarHBondContact CB-OG1 3.3Å; S519-T522 PolarHBondContact OG-N 2.92Å; S519-T522 PolarHBondContact OG-OG1 3.43Å; T522-R524 PolarHBondContact O-N 3.18Å; T522-A564 HydrophobicContact CG2-CB 4.04Å; T522-A564 WeakPolarHBondContact OG1-CB 3.45Å
523R87.3Confident91.2Very high157 Ų15733.7 Ų33.759%0.59217%0.171SC*.THydrogen-bonded Turntrans52.541.4-176.8-59.8-176.9176.3-176.7-1.8112.6S519 L539S519-R523 VanDerWaalsContact O-CA 3.29Å; S519-R523 WeakPolarHBondContact O-CA 3.47Å; S519-R523 PolarHBondContact O-N 3.33Å; R523-L539 HydrophobicContact CB-CB 4.49Å; R523-L539 WeakPolarHBondContact O-CB 3.45Å; R523-L539 PolarHBondContact O-N 3.24Å
524R90.1Very high91.2Very high50 Ų5033.6 Ų33.619%0.18917%0.17CC..EExtended strand (participates in β ladder)trans-106.3134.4177.6-73.6177.6166.2169.2-1.8110.6I518 S519 T522 L526 I536 Y537 E545 D583I518-R524 WeakPolarHBondContact CA-O 3.48Å; S519-R524 PolarHBondContact N-O 3.01Å; S519-R524 PolarHBondContact O-N 3.49Å; T522-R524 PolarHBondContact O-N 3.18Å; R524-L526 HydrophobicContact CB-CD1 4.12Å; R524-I536 HydrophobicContact CB-CG2 4.1Å; R524-I536 HydrophobicContact CG-CG2 4.16Å; R524-Y537 CarbonylContact C-O 3.51Å; R524-Y537 WeakPolarHBondContact CA-O 3.16Å; R524-E545 IonicContact CZ-OE2 3Å; R524-E545 IonicContact NE-OE1 2.72Å; R524-E545 IonicContact NE-OE2 3.61Å; R524-E545 PolarHBondContact NE-OE2 3.29Å; R524-E545 IonicContact NH2-OE2 2.73Å; R524-E545 PolarHBondContact NH2-OE2 3Å; R524-D583 IonicContact NH1-OD1 3.8Å
525L92.7Very high91.2Very high0 Ų032.7 Ų32.70%016%0.163CC..EExtended strand (participates in β ladder)trans-99.2126.1169.2171.768.3000108.3I431 I438 L516 I518 I527 I536 Y537 L539 L542I431-L525 HydrophobicContact CD1-CD1 4.29Å; I431-L525 HydrophobicContact CD1-CD2 4.24Å; I431-L525 HydrophobicContact CG2-CD1 4.31Å; I431-L525 HydrophobicContact CG2-CD2 4.08Å; I438-L525 HydrophobicContact CG2-CD2 4.36Å; L516-L525 HydrophobicContact CB-CD1 4.33Å; L516-L525 HydrophobicContact CD1-CD1 4.2Å; L516-L525 HydrophobicContact CD2-CD1 4.5Å; I518-L525 HydrophobicContact CD1-CD1 4.41Å; I518-L525 HydrophobicContact CG1-CD1 3.73Å; L525-I527 HydrophobicContact CD1-CG1 4.37Å; L525-I527 HydrophobicContact CD2-CD1 3.91Å; L525-I527 HydrophobicContact CD2-CG1 4.21Å; L525-I527 HydrophobicContact CG-CD1 4.23Å; L525-I527 HydrophobicContact CG-CG1 3.97Å; L525-I536 CarbonylContact O-C 3.56Å; L525-I536 WeakPolarHBondContact O-CA 3.36Å; L525-Y537 PolarHBondContact N-O 3.28Å; L525-Y537 PolarHBondContact O-N 3.25Å; L525-L539 HydrophobicContact CB-CD1 4.24Å; L525-L539 HydrophobicContact CB-CD2 4.13Å; L525-L539 HydrophobicContact CB-CG 4.16Å; L525-L539 HydrophobicContact CD2-CD2 4.49Å; L525-L542 HydrophobicContact CD2-CD2 3.6Å
526L94.6Very high91.1Very high1 Ų132.6 Ų32.61%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-111.5130.6175.8-68.978.6000108.3L516 T517 R524 I534 Q535 I536 I558 L567 I581L516-L526 CarbonylContact C-O 3.57Å; L516-L526 VanDerWaalsContact CA-O 3.22Å; L516-L526 WeakPolarHBondContact CA-O 3.37Å; L516-L526 WeakPolarHBondContact CB-O 3.44Å; T517-L526 HydrophobicContact CG2-CB 3.94Å; T517-L526 PolarHBondContact N-O 2.94Å; T517-L526 PolarHBondContact O-N 2.91Å; R524-L526 HydrophobicContact CB-CD1 4.12Å; L526-I534 HydrophobicContact CB-CG2 4.42Å; L526-Q535 WeakPolarHBondContact CA-O 3.45Å; L526-I536 HydrophobicContact CD2-CD1 4.47Å; L526-I536 HydrophobicContact CG-CD1 4.46Å; L526-I536 HydrophobicContact CG-CG1 4.15Å; L526-I536 HydrophobicContact CG-CG2 4.47Å; L526-I558 HydrophobicContact CB-CD1 4.15Å; L526-L567 HydrophobicContact CD2-CD1 3.68Å; L526-I581 HydrophobicContact CD2-CD1 3.98Å
527I94.8Very high90.9Very high0 Ų033.3 Ų33.30%017%0.165CC..EExtended strand (participates in β ladder)trans-124.4128.9-178.1-58.5-176.8000108.5I438 I473 I513 L516 L525 I534 Q535 Y537I438-I527 HydrophobicContact CD1-CD1 3.23Å; I438-I527 HydrophobicContact CG1-CD1 3.63Å; I438-I527 HydrophobicContact CG2-CD1 4.36Å; I473-I527 HydrophobicContact CD1-CD1 4.38Å; I473-I527 HydrophobicContact CD1-CG2 4.05Å; I513-I527 HydrophobicContact CB-CG2 4.42Å; I513-I527 HydrophobicContact CD1-CG2 4.15Å; I513-I527 HydrophobicContact CG1-CG2 4.16Å; I513-I527 HydrophobicContact CG2-CG2 3.52Å; L516-I527 HydrophobicContact CB-CG1 4.26Å; L525-I527 HydrophobicContact CD1-CG1 4.37Å; L525-I527 HydrophobicContact CD2-CD1 3.91Å; L525-I527 HydrophobicContact CD2-CG1 4.21Å; L525-I527 HydrophobicContact CG-CD1 4.23Å; L525-I527 HydrophobicContact CG-CG1 3.97Å; I527-I534 CarbonylContact O-C 3.59Å; I527-I534 VanDerWaalsContact O-CA 3.3Å; I527-I534 WeakPolarHBondContact O-CA 3.44Å; I527-Q535 PolarHBondContact N-O 2.94Å; I527-Q535 PolarHBondContact O-N 2.83Å; I527-Y537 HydrophobicContact CD1-CD2 4Å; I527-Y537 HydrophobicContact CD1-CE2 3.78Å; I527-Y537 HydrophobicContact CG1-CD2 4.32Å; I527-Y537 HydrophobicContact CG1-CE2 4.29Å
528A95.1Very high90.6Very high0 Ų038.5 Ų38.50%018%0.184CC..EExtended strand (participates in β ladder)trans-100.1143.6174.400000111.4S514 T515 L533 I534 P555 I558S514-A528 PolarHBondContact N-O 2.96Å; S514-A528 PolarHBondContact OG-O 3.35Å; T515-A528 HydrophobicContact CG2-CB 3.71Å; T515-A528 PolarHBondContact O-N 3.29Å; A528-L533 CarbonylContact C-O 3.42Å; A528-L533 WeakPolarHBondContact CA-O 3.38Å; A528-I534 HydrophobicContact CB-CD1 3.41Å; A528-I534 VanDerWaalsContact CB-CD1 3.41Å; A528-P555 HydrophobicContact CB-CB 3.87Å; A528-P555 HydrophobicContact CB-CG 4.05Å; A528-I558 HydrophobicContact CB-CD1 4.2Å; A528-I558 HydrophobicContact CB-CG2 4.23Å
529R93.7Very high90.3Very high29 Ų2938.8 Ų38.811%0.10919%0.185CC..EExtended strand (participates in β ladder)trans-106.4160.8171.6-62178.873.4-152.4-133110.9D474 D511 P512 S531 G532 L533 P555D474-R529 IonicContact OD1-CZ 2.88Å; D474-R529 IonicContact OD1-NH1 3.23Å; D474-R529 PolarHBondContact OD1-NH1 2.91Å; D511-R529 VanDerWaalsContact CB-NH2 3.32Å; D511-R529 VanDerWaalsContact CG-CZ 3.47Å; D511-R529 VanDerWaalsContact CG-NH2 3.27Å; D511-R529 PolarHBondContact O-NE 2.97Å; D511-R529 PolarHBondContact O-NH1 3.33Å; D511-R529 WeakPolarHBondContact OD2-CB 3.41Å; D511-R529 IonicContact OD2-CZ 2.72Å; D511-R529 IonicContact OD2-NE 2.99Å; D511-R529 PolarHBondContact OD2-NE 2.8Å; D511-R529 IonicContact OD2-NH2 3.82Å; D511-R529 PolarHBondContact OD2-NH2 2.69Å; P512-R529 VanDerWaalsContact O-CA 3.31Å; P512-R529 WeakPolarHBondContact O-CA 3.43Å; R529-S531 PolarHBondContact O-N 3.34Å; R529-G532 PolarHBondContact O-N 2.89Å; R529-L533 HydrophobicContact CB-CB 4.36Å; R529-L533 PolarHBondContact N-O 3.42Å; R529-P555 VanDerWaalsContact O-CD 3.28Å; R529-P555 WeakPolarHBondContact O-CD 3.37Å
530E91.9Very high89.8Confident89 Ų8940.4 Ų40.442%0.41620%0.196SC..THydrogen-bonded Turntrans-57.6-30.6-179.9-73.1-174.7176.300113D511 P512 G532 C554D511-E530 WeakPolarHBondContact OD1-CB 3.42Å; D511-E530 PolarHBondContact OD1-N 3.43Å; D511-E530 VanDerWaalsContact OD1-N 3.14Å; P512-E530 WeakPolarHBondContact CD-OE2 3.43Å; P512-E530 HydrophobicContact CG-CB 4.48Å; P512-E530 HydrophobicContact CG-CG 3.83Å; P512-E530 WeakPolarHBondContact CG-OE1 3.49Å; P512-E530 VanDerWaalsContact CG-OE2 3.27Å; P512-E530 WeakPolarHBondContact CG-OE2 3.25Å; P512-E530 PolarHBondContact O-N 3.32Å; E530-G532 PolarHBondContact O-N 3.01Å; E530-C554 WeakPolarHBondContact O-CA 3.48Å
531S91.5Very high89.6Confident55 Ų5538.1 Ų38.139%0.38519%0.187SC..THydrogen-bonded Turntrans-70.2-5.717467.20000115.8D511 R529D511-S531 PolarHBondContact OD1-N 3.45Å; D511-S531 WeakPolarHBondContact OD2-CB 3.43Å; D511-S531 PolarHBondContact OD2-OG 3.4Å; R529-S531 PolarHBondContact O-N 3.34Å
532G90.4Very high89.8Confident0 Ų034.7 Ų34.70%016%0.163CC..SBendtrans876.1-172.500000114.7R529 E530 V550R529-G532 PolarHBondContact O-N 2.89Å; E530-G532 PolarHBondContact O-N 3.01Å; G532-V550 PolarHBondContact O-N 3.17Å
533L93.3Very high89.8Confident33 Ų3337.2 Ų37.217%0.17317%0.167CC..EExtended strand (participates in β ladder)trans-74.4127.9172.7-171.774000111.2A528 R529 K547A528-L533 CarbonylContact C-O 3.42Å; A528-L533 WeakPolarHBondContact CA-O 3.38Å; R529-L533 HydrophobicContact CB-CB 4.36Å; R529-L533 PolarHBondContact N-O 3.42Å; L533-K547 HydrophobicContact CD1-CB 4.38Å; L533-K547 HydrophobicContact CD2-CD 4.44Å
534I93.4Very high89.9Confident0 Ų031.3 Ų31.30%015%0.146CC..EExtended strand (participates in β ladder)trans-104.5131.7173.1-53-58.4000109.9L526 I527 A528 K547 F548 V550 I558 L567L526-I534 HydrophobicContact CB-CG2 4.42Å; I527-I534 CarbonylContact O-C 3.59Å; I527-I534 VanDerWaalsContact O-CA 3.3Å; I527-I534 WeakPolarHBondContact O-CA 3.44Å; A528-I534 HydrophobicContact CB-CD1 3.41Å; A528-I534 VanDerWaalsContact CB-CD1 3.41Å; I534-K547 CarbonylContact O-C 3.57Å; I534-K547 WeakPolarHBondContact O-CA 3.03Å; I534-K547 WeakPolarHBondContact O-CB 3.43Å; I534-F548 HydrophobicContact CB-CD1 4.14Å; I534-F548 HydrophobicContact CB-CE1 3.75Å; I534-F548 HydrophobicContact CB-CE2 4.24Å; I534-F548 HydrophobicContact CB-CZ 3.82Å; I534-F548 HydrophobicContact CG1-CE1 4.5Å; I534-F548 HydrophobicContact CG1-CE2 4.18Å; I534-F548 HydrophobicContact CG1-CZ 4.07Å; I534-F548 HydrophobicContact CG2-CD1 4.37Å; I534-F548 HydrophobicContact CG2-CE1 3.6Å; I534-F548 HydrophobicContact CG2-CZ 3.79Å; I534-F548 PolarHBondContact N-O 3.11Å; I534-F548 PolarHBondContact O-N 3.42Å; I534-V550 HydrophobicContact CD1-CG2 4.22Å; I534-V550 HydrophobicContact CG1-CB 4.34Å; I534-V550 HydrophobicContact CG1-CG2 3.4Å; I534-I558 HydrophobicContact CD1-CG2 4.45Å; I534-L567 HydrophobicContact CD1-CD2 4.25Å; I534-L567 HydrophobicContact CG1-CD2 3.97Å
535Q92.5Very high89.6Confident5 Ų531.7 Ų31.72%0.02315%0.15CC..EExtended strand (participates in β ladder)trans-115.2136.4172.8-66.2178.8-21.400110L526 I527 Y537 F544 K547L526-Q535 WeakPolarHBondContact CA-O 3.45Å; I527-Q535 PolarHBondContact N-O 2.94Å; I527-Q535 PolarHBondContact O-N 2.83Å; Q535-Y537 HydrophobicContact CB-CE2 3.72Å; Q535-Y537 PolarHBondContact OE1-OH 2.94Å; Q535-F544 HydrophobicContact CB-CE2 4.19Å; Q535-F544 HydrophobicContact CG-CE2 4.2Å; Q535-K547 HydrophobicContact CG-CB 4.13Å
536I92.3Very high89.5Confident1 Ų133.5 Ų33.51%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-112.1132.1179.6-48.9-170.8000109.9R524 L525 L526 E545 M546 F548 I581R524-I536 HydrophobicContact CB-CG2 4.1Å; R524-I536 HydrophobicContact CG-CG2 4.16Å; L525-I536 CarbonylContact O-C 3.56Å; L525-I536 WeakPolarHBondContact O-CA 3.36Å; L526-I536 HydrophobicContact CD2-CD1 4.47Å; L526-I536 HydrophobicContact CG-CD1 4.46Å; L526-I536 HydrophobicContact CG-CG1 4.15Å; L526-I536 HydrophobicContact CG-CG2 4.47Å; I536-E545 PolarHBondContact O-N 3.28Å; I536-M546 HydrophobicContact CB-CG 4.01Å; I536-M546 HydrophobicContact CD1-CG 3.75Å; I536-M546 HydrophobicContact CD1-SD 3.87Å; I536-M546 HydrophobicContact CG1-CG 3.92Å; I536-M546 PolarHBondContact N-O 3.17Å; I536-F548 HydrophobicContact CD1-CE1 3.97Å; I536-F548 HydrophobicContact CG1-CE1 4.23Å; I536-I581 HydrophobicContact CD1-CG2 3.8Å
537Y90.3Very high89.3Confident16 Ų1639.1 Ų39.16%0.06318%0.183CC..EExtended strand (participates in β ladder)trans-123.6144177.5-60.9-95.2000111.1I438 R524 L525 I527 Q535 L542 Y543 F544I438-Y537 HydrophobicContact CD1-CE2 4.16Å; R524-Y537 CarbonylContact C-O 3.51Å; R524-Y537 WeakPolarHBondContact CA-O 3.16Å; L525-Y537 PolarHBondContact N-O 3.28Å; L525-Y537 PolarHBondContact O-N 3.25Å; I527-Y537 HydrophobicContact CD1-CD2 4Å; I527-Y537 HydrophobicContact CD1-CE2 3.78Å; I527-Y537 HydrophobicContact CG1-CD2 4.32Å; I527-Y537 HydrophobicContact CG1-CE2 4.29Å; Q535-Y537 HydrophobicContact CB-CE2 3.72Å; Q535-Y537 PolarHBondContact OE1-OH 2.94Å; Y537-L542 WeakPolarHBondContact CD1-O 3.31Å; Y537-Y543 CarbonylContact C-O 3.59Å; Y537-Y543 VanDerWaalsContact CA-O 3.27Å; Y537-Y543 WeakPolarHBondContact CA-O 3.48Å; Y537-F544 HydrophobicContact CD1-CB 4.07Å; Y537-F544 HydrophobicContact CD1-CD2 4.46Å; Y537-F544 HydrophobicContact CE1-CB 3.92Å; Y537-F544 AromaticContact CE1-CD2 3.95Å; Y537-F544 HydrophobicContact CE1-CD2 3.95Å; Y537-F544 HydrophobicContact CE1-CG 4.45Å
538R89.6Confident89.1Confident119 Ų11940.4 Ų40.445%0.44919%0.189SC..EExtended strand (participates in β ladder)trans-87.9130.1172.3-157.9-176.477.9167.44110.7D541 L542 Y543 E545R538-D541 IonicContact NH2-OD2 2.68Å; R538-L542 WeakPolarHBondContact O-CA 3.32Å; R538-L542 PolarHBondContact O-N 2.92Å; R538-Y543 PolarHBondContact N-O 3.49Å; R538-Y543 PolarHBondContact O-N 3.48Å; R538-Y543 VanDerWaalsContact O-N 3.1Å; R538-E545 HydrophobicContact CB-CG 4.15Å; R538-E545 WeakPolarHBondContact CB-OE1 3.48Å; R538-E545 WeakPolarHBondContact CG-OE1 3.49Å
539L86.5Confident88.9Confident12 Ų1244.1 Ų44.16%0.06322%0.215CC..THydrogen-bonded Turntrans-93.7148.1173-59.4177.5000110.5T426 I431 I518 R523 L525 L542T426-L539 HydrophobicContact CG2-CD1 3.91Å; I431-L539 HydrophobicContact CD1-CD1 3.68Å; I431-L539 HydrophobicContact CD1-CD2 3.77Å; I431-L539 HydrophobicContact CD1-CG 4.39Å; I518-L539 HydrophobicContact CG2-CD1 4.32Å; R523-L539 HydrophobicContact CB-CB 4.49Å; R523-L539 WeakPolarHBondContact O-CB 3.45Å; R523-L539 PolarHBondContact O-N 3.24Å; L525-L539 HydrophobicContact CB-CD1 4.24Å; L525-L539 HydrophobicContact CB-CD2 4.13Å; L525-L539 HydrophobicContact CB-CG 4.16Å; L525-L539 HydrophobicContact CD2-CD2 4.49Å; L539-L542 HydrophobicContact CD2-CD2 3.66Å; L539-L542 HydrophobicContact CD2-CG 4.38Å
540P78.7Confident88.5Confident38 Ų3843.6 Ų43.625%0.24722%0.215CC..THydrogen-bonded Turncis-87-9.29.833.3-35.1000115.7Q429 R469 L542Q429-P540 PolarHBondContact NE2-O 3.5Å; R469-P540 PolarHBondContact NH1-O 3.38Å; P540-L542 VanDerWaalsContact C-N 3.32Å; P540-L542 PolarHBondContact O-N 2.99Å
541D78.8Confident88Confident64 Ų6440.9 Ų40.934%0.34221%0.211SC..THydrogen-bonded Turntrans-83.1-2.3-166.3-57.5-46.6000115.1R469 R538 Y543R469-D541 IonicContact NH2-OD1 3.23Å; R469-D541 PolarHBondContact NH2-OD1 3.46Å; R469-D541 VanDerWaalsContact NH2-OD1 3.07Å; R538-D541 IonicContact NH2-OD2 2.68Å; D541-Y543 PolarHBondContact O-N 3.34Å
542L84.6Confident87.4Confident7 Ų745.8 Ų45.84%0.03723%0.232CC..THydrogen-bonded Turntrans51.641-169.5-68.7174.8000112.4I438 A440 R469 Y471 L525 Y537 R538 L539 P540 F544I438-L542 HydrophobicContact CG2-CD1 4.26Å; I438-L542 HydrophobicContact CG2-CD2 4.38Å; A440-L542 HydrophobicContact CB-CD1 3.62Å; A440-L542 HydrophobicContact CB-CG 4.24Å; R469-L542 HydrophobicContact CB-CD1 4.24Å; Y471-L542 HydrophobicContact CD2-CB 4.08Å; Y471-L542 HydrophobicContact CD2-CD1 3.47Å; Y471-L542 VanDerWaalsContact CD2-CD1 3.47Å; Y471-L542 HydrophobicContact CD2-CG 4.44Å; Y471-L542 HydrophobicContact CE2-CB 3.67Å; Y471-L542 HydrophobicContact CE2-CD1 3.59Å; Y471-L542 HydrophobicContact CE2-CG 4.27Å; L525-L542 HydrophobicContact CD2-CD2 3.6Å; Y537-L542 WeakPolarHBondContact CD1-O 3.31Å; R538-L542 WeakPolarHBondContact O-CA 3.32Å; R538-L542 PolarHBondContact O-N 2.92Å; L539-L542 HydrophobicContact CD2-CD2 3.66Å; L539-L542 HydrophobicContact CD2-CG 4.38Å; P540-L542 VanDerWaalsContact C-N 3.32Å; P540-L542 PolarHBondContact O-N 2.99Å; L542-F544 PolarHBondContact O-N 3.36Å
543Y84.4Confident87.1Confident106 Ų10649.1 Ų49.142%0.41625%0.251SS..EExtended strand (participates in β ladder)trans-76.6119.6178.8178.7-91.2000110.4Y537 R538 D541 E545Y537-Y543 CarbonylContact C-O 3.59Å; Y537-Y543 VanDerWaalsContact CA-O 3.27Å; Y537-Y543 WeakPolarHBondContact CA-O 3.48Å; R538-Y543 PolarHBondContact N-O 3.49Å; R538-Y543 PolarHBondContact O-N 3.48Å; R538-Y543 VanDerWaalsContact O-N 3.1Å; D541-Y543 PolarHBondContact O-N 3.34Å; Y543-E545 HydrophobicContact CD1-CG 4.34Å; Y543-E545 PolarHBondContact O-N 3.46Å
544F88Confident87Confident33 Ų3348.8 Ų48.815%0.14525%0.25CS..EExtended strand (participates in β ladder)trans-64.6122.7178176.3-97.6000111.3I476 Q535 Y537 L542 M546 K547I476-F544 HydrophobicContact CD1-CZ 4.49Å; I476-F544 HydrophobicContact CG2-CD1 3.66Å; I476-F544 HydrophobicContact CG2-CE1 3.91Å; I476-F544 HydrophobicContact CG2-CG 4.01Å; I476-F544 HydrophobicContact CG2-CZ 4.46Å; Q535-F544 HydrophobicContact CB-CE2 4.19Å; Q535-F544 HydrophobicContact CG-CE2 4.2Å; Y537-F544 HydrophobicContact CD1-CB 4.07Å; Y537-F544 HydrophobicContact CD1-CD2 4.46Å; Y537-F544 HydrophobicContact CE1-CB 3.92Å; Y537-F544 AromaticContact CE1-CD2 3.95Å; Y537-F544 HydrophobicContact CE1-CD2 3.95Å; Y537-F544 HydrophobicContact CE1-CG 4.45Å; L542-F544 PolarHBondContact O-N 3.36Å; F544-M546 WeakPolarHBondContact CE2-O 3.08Å; F544-M546 VanDerWaalsContact CZ-C 3.47Å; F544-K547 HydrophobicContact CE2-CB 4.29Å; F544-K547 HydrophobicContact CZ-CB 4.02Å; F544-K547 HydrophobicContact CZ-CD 4.35Å; F544-K547 HydrophobicContact CZ-CG 4.2Å
545E85.7Confident87Confident58 Ų5848.9 Ų48.927%0.27125%0.251SS..EExtended strand (participates in β ladder)trans-97.3-54.5178.6-66.1-166.416600111.9R524 I536 R538 Y543R524-E545 IonicContact CZ-OE2 3Å; R524-E545 IonicContact NE-OE1 2.72Å; R524-E545 IonicContact NE-OE2 3.61Å; R524-E545 PolarHBondContact NE-OE2 3.29Å; R524-E545 IonicContact NH2-OE2 2.73Å; R524-E545 PolarHBondContact NH2-OE2 3Å; I536-E545 PolarHBondContact O-N 3.28Å; R538-E545 HydrophobicContact CB-CG 4.15Å; R538-E545 WeakPolarHBondContact CB-OE1 3.48Å; R538-E545 WeakPolarHBondContact CG-OE1 3.49Å; Y543-E545 HydrophobicContact CD1-CG 4.34Å; Y543-E545 PolarHBondContact O-N 3.46Å
546M89.3Confident86.8Confident37 Ų3752.6 Ų52.618%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-162.5171.2-173.565.7175.67800112.8I536 F544 P582I536-M546 HydrophobicContact CB-CG 4.01Å; I536-M546 HydrophobicContact CD1-CG 3.75Å; I536-M546 HydrophobicContact CD1-SD 3.87Å; I536-M546 HydrophobicContact CG1-CG 3.92Å; I536-M546 PolarHBondContact N-O 3.17Å; F544-M546 WeakPolarHBondContact CE2-O 3.08Å; F544-M546 VanDerWaalsContact CZ-C 3.47Å; M546-P582 WeakPolarHBondContact CE-O 3.46Å
547K90.3Very high86.8Confident120 Ų12055 Ų5552%0.52227%0.274SS..EExtended strand (participates in β ladder)trans-140.4146.517166.2-176-179179.50111.8L533 I534 Q535 F544L533-K547 HydrophobicContact CD1-CB 4.38Å; L533-K547 HydrophobicContact CD2-CD 4.44Å; I534-K547 CarbonylContact O-C 3.57Å; I534-K547 WeakPolarHBondContact O-CA 3.03Å; I534-K547 WeakPolarHBondContact O-CB 3.43Å; Q535-K547 HydrophobicContact CG-CB 4.13Å; F544-K547 HydrophobicContact CE2-CB 4.29Å; F544-K547 HydrophobicContact CZ-CB 4.02Å; F544-K547 HydrophobicContact CZ-CD 4.35Å; F544-K547 HydrophobicContact CZ-CG 4.2Å
548F90.9Very high87Confident26 Ų2654.4 Ų54.411%0.11427%0.273CS..EExtended strand (participates in β ladder)trans-149.9161.317667-80.7000110.6I534 I536 V550 L567 I581 P582I534-F548 HydrophobicContact CB-CD1 4.14Å; I534-F548 HydrophobicContact CB-CE1 3.75Å; I534-F548 HydrophobicContact CB-CE2 4.24Å; I534-F548 HydrophobicContact CB-CZ 3.82Å; I534-F548 HydrophobicContact CG1-CE1 4.5Å; I534-F548 HydrophobicContact CG1-CE2 4.18Å; I534-F548 HydrophobicContact CG1-CZ 4.07Å; I534-F548 HydrophobicContact CG2-CD1 4.37Å; I534-F548 HydrophobicContact CG2-CE1 3.6Å; I534-F548 HydrophobicContact CG2-CZ 3.79Å; I534-F548 PolarHBondContact N-O 3.11Å; I534-F548 PolarHBondContact O-N 3.42Å; I536-F548 HydrophobicContact CD1-CE1 3.97Å; I536-F548 HydrophobicContact CG1-CE1 4.23Å; F548-V550 HydrophobicContact CD2-CG2 3.98Å; F548-V550 HydrophobicContact CE2-CG2 3.54Å; F548-V550 HydrophobicContact CZ-CG2 4.43Å; F548-L567 HydrophobicContact CE2-CD2 4.26Å; F548-L567 HydrophobicContact CZ-CD2 3.97Å; F548-I581 HydrophobicContact CE1-CG2 4.46Å; F548-I581 HydrophobicContact CZ-CG1 4.19Å; F548-P582 HydrophobicContact CB-CG 4.04Å; F548-P582 HydrophobicContact CG-CG 4.14Å
549S90Very high87.2Confident79 Ų7950.5 Ų50.555%0.55226%0.258SS*.EExtended strand (participates in β ladder)trans-104.9145.8179.7-178.50000111.5
550V86.6Confident87.6Confident17 Ų1750.9 Ų50.910%0.10326%0.261CS..  trans-112.70.4-175.6175.70000112.5G532 I534 F548 L567 V569 H579G532-V550 PolarHBondContact O-N 3.17Å; I534-V550 HydrophobicContact CD1-CG2 4.22Å; I534-V550 HydrophobicContact CG1-CB 4.34Å; I534-V550 HydrophobicContact CG1-CG2 3.4Å; F548-V550 HydrophobicContact CD2-CG2 3.98Å; F548-V550 HydrophobicContact CE2-CG2 3.54Å; F548-V550 HydrophobicContact CZ-CG2 4.43Å; V550-L567 HydrophobicContact CG2-CD2 4.05Å; V550-V569 HydrophobicContact CG1-CB 4.05Å; V550-V569 HydrophobicContact CG1-CG1 4.19Å; V550-V569 HydrophobicContact CG1-CG2 3.72Å; V550-H579 WeakPolarHBondContact CG1-CD2 3.4Å; V550-H579 VanDerWaalsContact CG1-NE2 3.3Å; V550-H579 WeakPolarHBondContact CG1-NE2 3.39Å; V550-H579 PolarHBondContact O-CE1 3.46Å
551G80.5Confident88.2Confident32 Ų3249.1 Ų49.133%0.3325%0.249SC..  trans125.4-177.7-178.400000111.4
552D79Confident88.7Confident158 Ų15847.7 Ų47.785%0.84524%0.244SC*.SBendtrans-91-4.5-171.5-55.9-32.4000114
553N85.2Confident88.8Confident71 Ų7149.7 Ų49.738%0.3826%0.255SS..SBendtrans-88.7140.9-179.5-69.8-1.6000110.9P555 D571N553-P555 WeakPolarHBondContact O-CD 3.17Å; N553-D571 HydrophobicContact CB-CB 3.86Å; N553-D571 PolarHBondContact ND2-OD2 3.33Å
554C90.4Very high88.9Confident25 Ų2544.8 Ų44.817%0.16924%0.236CC..PPolyproline II helixtrans-62.5117.8177.4-178.30000111.7E530 Y556 D571 E572E530-C554 WeakPolarHBondContact O-CA 3.48Å; C554-Y556 PolarHBondContact O-N 2.92Å; C554-D571 WeakPolarHBondContact O-CA 3.4Å; C554-D571 WeakPolarHBondContact O-CB 3.48Å; C554-E572 HydrophobicContact CB-CG 4.36Å; C554-E572 PolarHBondContact O-N 3.14Å
555P92.4Very high88.9Confident2 Ų243.7 Ų43.71%0.01323%0.232CC..EExtended strand (participates in β ladder)trans-68120.8175.5-20.535000110.8S514 T515 A528 R529 N553 I558 V569S514-P555 VanDerWaalsContact CB-O 3.25Å; S514-P555 WeakPolarHBondContact CB-O 3.24Å; S514-P555 PolarHBondContact OG-O 3.33Å; T515-P555 HydrophobicContact CG2-CB 4.35Å; A528-P555 HydrophobicContact CB-CB 3.87Å; A528-P555 HydrophobicContact CB-CG 4.05Å; R529-P555 VanDerWaalsContact O-CD 3.28Å; R529-P555 WeakPolarHBondContact O-CD 3.37Å; N553-P555 WeakPolarHBondContact O-CD 3.17Å; P555-I558 HydrophobicContact CB-CG2 4.21Å; P555-V569 HydrophobicContact CB-CG1 3.89Å; P555-V569 HydrophobicContact CG-CG1 4.4Å
556Y88.8Confident89.1Confident84 Ų8440.9 Ų40.933%0.32922%0.219SC..EExtended strand (participates in β ladder)trans-88.2-40.4175.5171.1-109000112M1 C554 I570M1-Y556 PolarHBondContact N-OH 3.46Å; C554-Y556 PolarHBondContact O-N 2.92Å; Y556-I570 WeakPolarHBondContact CA-O 3.22Å; Y556-I570 WeakPolarHBondContact CB-O 3.34Å; Y556-I570 HydrophobicContact CD1-CG2 4.41Å; Y556-I570 PolarHBondContact N-O 2.93Å
557R92.2Very high89.3Confident50 Ų5039.1 Ų39.119%0.18921%0.21CC..EExtended strand (participates in β ladder)trans-146144.3173.7-74.7-168.2-176.9177.45.7111.6Y559 I570R557-Y559 HydrophobicContact CB-CE2 3.81Å; R557-Y559 WeakPolarHBondContact CD-OH 3.37Å; R557-Y559 PolarHBondContact NH1-OH 2.99Å; R557-I570 HydrophobicContact CB-CB 4.41Å; R557-I570 PolarHBondContact N-O 3.33Å; R557-I570 PolarHBondContact O-N 3.35Å
558I95Very high89.5Confident5 Ų533.4 Ų33.43%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-125.6144.8175.863172.8000110.9T515 T517 L526 A528 I534 P555 L567 G568 V569T515-I558 HydrophobicContact CG2-CB 4.44Å; T515-I558 HydrophobicContact CG2-CD1 4.46Å; T515-I558 HydrophobicContact CG2-CG1 3.99Å; T515-I558 HydrophobicContact CG2-CG2 3.94Å; T517-I558 WeakPolarHBondContact CB-O 3.11Å; T517-I558 HydrophobicContact CG2-CB 4.46Å; T517-I558 HydrophobicContact CG2-CD1 3.8Å; T517-I558 HydrophobicContact CG2-CG1 3.69Å; T517-I558 PolarHBondContact OG1-O 3.3Å; L526-I558 HydrophobicContact CB-CD1 4.15Å; A528-I558 HydrophobicContact CB-CD1 4.2Å; A528-I558 HydrophobicContact CB-CG2 4.23Å; I534-I558 HydrophobicContact CD1-CG2 4.45Å; P555-I558 HydrophobicContact CB-CG2 4.21Å; I558-L567 HydrophobicContact CB-CD1 4.14Å; I558-G568 CarbonylContact C-O 3.58Å; I558-G568 WeakPolarHBondContact CA-O 3.33Å; I558-V569 HydrophobicContact CB-CG2 4.45Å; I558-V569 HydrophobicContact CG2-CB 4.36Å; I558-V569 HydrophobicContact CG2-CG1 4.14Å; I558-V569 HydrophobicContact CG2-CG2 3.73Å
559Y94.9Very high89.6Confident36 Ų3632.6 Ų32.614%0.14118%0.182CC..EExtended strand (participates in β ladder)trans-135.6141.7-179-57.1-91.8000108.6R557 L567 G568 I570 V608R557-Y559 HydrophobicContact CB-CE2 3.81Å; R557-Y559 WeakPolarHBondContact CD-OH 3.37Å; R557-Y559 PolarHBondContact NH1-OH 2.99Å; Y559-L567 CarbonylContact O-C 3.47Å; Y559-L567 WeakPolarHBondContact O-CA 3.06Å; Y559-G568 PolarHBondContact N-O 3.04Å; Y559-G568 PolarHBondContact O-N 2.99Å; Y559-I570 HydrophobicContact CE2-CD1 3.75Å; Y559-I570 HydrophobicContact CE2-CG1 4.18Å; Y559-V608 HydrophobicContact CD1-CB 4.35Å; Y559-V608 VanDerWaalsContact CD1-O 3.28Å; Y559-V608 WeakPolarHBondContact CD1-O 3.39Å; Y559-V608 HydrophobicContact CD2-CB 3.75Å; Y559-V608 HydrophobicContact CD2-CG1 4.29Å; Y559-V608 HydrophobicContact CD2-CG2 4.26Å; Y559-V608 HydrophobicContact CE1-CB 4.39Å; Y559-V608 WeakPolarHBondContact CE1-O 3.29Å; Y559-V608 HydrophobicContact CE2-CB 3.79Å; Y559-V608 HydrophobicContact CE2-CG2 4.12Å; Y559-V608 HydrophobicContact CG-CB 4.02Å; Y559-V608 HydrophobicContact CG-CG1 4.3Å
560V93.5Very high89.8Confident20 Ų2028.9 Ų28.912%0.12116%0.156CC..EExtended strand (participates in β ladder)trans-118.1140.3-179.664.20000109.4T517 A564 I581 F610T517-V560 HydrophobicContact CG2-CB 4.22Å; T517-V560 HydrophobicContact CG2-CG1 4.1Å; V560-A564 HydrophobicContact CG2-CB 3.75Å; V560-I581 HydrophobicContact CG2-CD1 4.08Å; V560-F610 WeakPolarHBondContact O-CD2 3.46Å
561N92.3Very high90Very high1 Ų128.3 Ų28.31%0.00515%0.153CC..  trans-72.5167.2175.670.3-16.7000111.9N563 A564 T565 C566 F610 P615N561-N563 PolarHBondContact ND2-OD1 3.15Å; N561-N563 PolarHBondContact O-N 2.96Å; N561-N563 PolarHBondContact OD1-OD1 3.38Å; N561-A564 PolarHBondContact O-N 2.99Å; N561-A564 WeakPolarHBondContact OD1-CA 3.35Å; N561-A564 PolarHBondContact OD1-N 3.36Å; N561-A564 VanDerWaalsContact OD1-N 3.13Å; N561-T565 PolarHBondContact ND2-OG1 3.46Å; N561-T565 PolarHBondContact OD1-N 3.26Å; N561-C566 HydrophobicContact CB-CB 4.43Å; N561-C566 PolarHBondContact N-O 2.8Å; N561-C566 VanDerWaalsContact N-O 3.09Å; N561-C566 PolarHBondContact ND2-N 3.16Å; N561-C566 PolarHBondContact OD1-N 3.18Å; N561-C566 PolarHBondContact OD1-O 2.98Å; N561-F610 HydrophobicContact CB-CB 4.3Å; N561-F610 HydrophobicContact CB-CD1 3.57Å; N561-F610 HydrophobicContact CB-CD2 4.37Å; N561-F610 HydrophobicContact CB-CE1 3.93Å; N561-F610 HydrophobicContact CB-CG 3.83Å; N561-F610 HydrophobicContact CB-CZ 4.46Å; N561-P615 WeakPolarHBondContact ND2-CB 3.17Å; N561-P615 PolarHBondContact ND2-O 3.35Å
562C89.2Confident90.2Very high34 Ų3433.3 Ų33.323%0.2317%0.167CC..THydrogen-bonded Turntrans-61.7-18.3-169.565.20000115.4S521 E612 P615S521-C562 VanDerWaalsContact CB-O 3.24Å; S521-C562 WeakPolarHBondContact CB-O 3.42Å; S521-C562 PolarHBondContact OG-O 3.37Å; C562-E612 WeakPolarHBondContact CB-O 3.11Å; C562-P615 VanDerWaalsContact SG-N 3.43Å
563N86.5Confident90.4Very high50 Ų5028.8 Ų28.827%0.26715%0.148SC..THydrogen-bonded Turntrans-112.37.6176.267.5-10000113.7N561 T565 P615N561-N563 PolarHBondContact ND2-OD1 3.15Å; N561-N563 PolarHBondContact O-N 2.96Å; N561-N563 PolarHBondContact OD1-OD1 3.38Å; N563-T565 VanDerWaalsContact C-N 3.32Å; N563-T565 PolarHBondContact O-N 2.96Å; N563-T565 PolarHBondContact OD1-N 3.43Å; N563-T565 PolarHBondContact OD1-OG1 3.42Å; N563-P615 HydrophobicContact CB-CB 4.48Å; N563-P615 VanDerWaalsContact CG-CB 3.49Å; N563-P615 WeakPolarHBondContact ND2-CB 3.4Å; N563-P615 VanDerWaalsContact OD1-CB 3.26Å; N563-P615 WeakPolarHBondContact OD1-CB 3.27Å
564A87.1Confident90.4Very high2 Ų225.6 Ų25.62%0.01713%0.132CC..SBendtrans55.138.1-179.500000115.8T522 V560 N561 I581T522-A564 HydrophobicContact CG2-CB 4.04Å; T522-A564 WeakPolarHBondContact OG1-CB 3.45Å; V560-A564 HydrophobicContact CG2-CB 3.75Å; N561-A564 PolarHBondContact O-N 2.99Å; N561-A564 WeakPolarHBondContact OD1-CA 3.35Å; N561-A564 PolarHBondContact OD1-N 3.36Å; N561-A564 VanDerWaalsContact OD1-N 3.13Å; A564-I581 WeakPolarHBondContact O-CD1 3.31Å
565T87.7Confident90.5Very high10 Ų1025.9 Ų25.96%0.06113%0.132CC..SBendtrans-100.7-19.1173.261.80000113.5N561 N563 I581 V592N561-T565 PolarHBondContact ND2-OG1 3.46Å; N561-T565 PolarHBondContact OD1-N 3.26Å; N563-T565 VanDerWaalsContact C-N 3.32Å; N563-T565 PolarHBondContact O-N 2.96Å; N563-T565 PolarHBondContact OD1-N 3.43Å; N563-T565 PolarHBondContact OD1-OG1 3.42Å; T565-I581 PolarHBondContact O-N 3.07Å; T565-V592 WeakPolarHBondContact OG1-CG2 3.34Å
566C90.4Very high90.6Very high0 Ų025.8 Ų25.80%013%0.131CC..EExtended strand (participates in β ladder)trans-132.4135.8-179.2-171.50000110.9N561 H579 F594N561-C566 HydrophobicContact CB-CB 4.43Å; N561-C566 PolarHBondContact N-O 2.8Å; N561-C566 VanDerWaalsContact N-O 3.09Å; N561-C566 PolarHBondContact ND2-N 3.16Å; N561-C566 PolarHBondContact OD1-N 3.18Å; N561-C566 PolarHBondContact OD1-O 2.98Å; C566-H579 WeakPolarHBondContact CA-O 3.46Å; C566-F594 HydrophobicContact CB-CD2 4.3Å; C566-F594 HydrophobicContact CB-CE2 3.75Å; C566-F594 WeakPolarHBondContact SG-CE2 3.46Å
567L92.4Very high90.8Very high0 Ų025.1 Ų25.10%013%0.128CC..EExtended strand (participates in β ladder)trans-110.9121176.7-172.477.3000109.2L526 I534 F548 V550 I558 Y559 V569 L578 H579 I581L526-L567 HydrophobicContact CD2-CD1 3.68Å; I534-L567 HydrophobicContact CD1-CD2 4.25Å; I534-L567 HydrophobicContact CG1-CD2 3.97Å; F548-L567 HydrophobicContact CE2-CD2 4.26Å; F548-L567 HydrophobicContact CZ-CD2 3.97Å; V550-L567 HydrophobicContact CG2-CD2 4.05Å; I558-L567 HydrophobicContact CB-CD1 4.14Å; Y559-L567 CarbonylContact O-C 3.47Å; Y559-L567 WeakPolarHBondContact O-CA 3.06Å; L567-V569 HydrophobicContact CD2-CG2 3.5Å; L567-V569 VanDerWaalsContact CD2-CG2 3.5Å; L567-V569 HydrophobicContact CG-CG2 3.72Å; L567-L578 CarbonylContact O-C 3.47Å; L567-L578 WeakPolarHBondContact O-CA 3.48Å; L567-H579 HydrophobicContact CB-CB 4.47Å; L567-H579 PolarHBondContact N-O 3.26Å; L567-H579 PolarHBondContact O-N 3.49Å; L567-I581 HydrophobicContact CB-CD1 4.27Å; L567-I581 HydrophobicContact CB-CG1 4.08Å
568G93.8Very high90.8Very high0 Ų022.9 Ų22.90%012%0.12CC..EExtended strand (participates in β ladder)trans-92.8126.3167.100000110.5I558 Y559 R577I558-G568 CarbonylContact C-O 3.58Å; I558-G568 WeakPolarHBondContact CA-O 3.33Å; Y559-G568 PolarHBondContact N-O 3.04Å; Y559-G568 PolarHBondContact O-N 2.99Å; G568-R577 WeakPolarHBondContact CA-O 3.41Å
569V94.8Very high90.5Very high8 Ų824.7 Ų24.75%0.04813%0.128CC..EExtended strand (participates in β ladder)trans-122.5125.3-177.7178.90000110.1V550 P555 I558 L567 F576 R577V550-V569 HydrophobicContact CG1-CB 4.05Å; V550-V569 HydrophobicContact CG1-CG1 4.19Å; V550-V569 HydrophobicContact CG1-CG2 3.72Å; P555-V569 HydrophobicContact CB-CG1 3.89Å; P555-V569 HydrophobicContact CG-CG1 4.4Å; I558-V569 HydrophobicContact CB-CG2 4.45Å; I558-V569 HydrophobicContact CG2-CB 4.36Å; I558-V569 HydrophobicContact CG2-CG1 4.14Å; I558-V569 HydrophobicContact CG2-CG2 3.73Å; L567-V569 HydrophobicContact CD2-CG2 3.5Å; L567-V569 VanDerWaalsContact CD2-CG2 3.5Å; L567-V569 HydrophobicContact CG-CG2 3.72Å; V569-F576 CarbonylContact O-C 3.45Å; V569-F576 VanDerWaalsContact O-CA 3.3Å; V569-F576 WeakPolarHBondContact O-CA 3.48Å; V569-F576 WeakPolarHBondContact O-CD2 3.34Å; V569-R577 PolarHBondContact N-O 3.18Å; V569-R577 PolarHBondContact O-N 3.05Å
570I93.7Very high90.2Very high2 Ų226.1 Ų26.11%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-100.1121.7166.9-55176.5000106.8Y556 R557 Y559 I575 F576 V605 V608Y556-I570 WeakPolarHBondContact CA-O 3.22Å; Y556-I570 WeakPolarHBondContact CB-O 3.34Å; Y556-I570 HydrophobicContact CD1-CG2 4.41Å; Y556-I570 PolarHBondContact N-O 2.93Å; R557-I570 HydrophobicContact CB-CB 4.41Å; R557-I570 PolarHBondContact N-O 3.33Å; R557-I570 PolarHBondContact O-N 3.35Å; Y559-I570 HydrophobicContact CE2-CD1 3.75Å; Y559-I570 HydrophobicContact CE2-CG1 4.18Å; I570-I575 WeakPolarHBondContact CA-O 3.47Å; I570-F576 HydrophobicContact CG1-CB 4.39Å; I570-F576 HydrophobicContact CG1-CD2 3.8Å; I570-V605 HydrophobicContact CD1-CG1 4.05Å; I570-V605 HydrophobicContact CG1-CG1 4.39Å; I570-V605 WeakPolarHBondContact CG2-O 3.27Å; I570-V608 HydrophobicContact CD1-CG2 4Å; I570-V608 HydrophobicContact CG1-CG2 4.34Å
571D90.4Very high89.9Confident4 Ų425.5 Ų25.52%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-84170.6173.267.726.5000112.7N553 C554 S573 G574 I575 R577N553-D571 HydrophobicContact CB-CB 3.86Å; N553-D571 PolarHBondContact ND2-OD2 3.33Å; C554-D571 WeakPolarHBondContact O-CA 3.4Å; C554-D571 WeakPolarHBondContact O-CB 3.48Å; D571-S573 PolarHBondContact O-N 3.17Å; D571-S573 VanDerWaalsContact O-N 3.09Å; D571-S573 WeakPolarHBondContact OD1-CA 3.41Å; D571-S573 WeakPolarHBondContact OD1-CB 3.24Å; D571-S573 PolarHBondContact OD1-N 3.13Å; D571-S573 PolarHBondContact OD1-OG 3.17Å; D571-G574 PolarHBondContact O-N 2.91Å; D571-G574 PolarHBondContact OD1-N 2.86Å; D571-I575 PolarHBondContact N-O 3.39Å; D571-I575 WeakPolarHBondContact OD1-CB 3.37Å; D571-I575 PolarHBondContact OD1-N 3.02Å; D571-R577 IonicContact OD2-CZ 3.99Å; D571-R577 IonicContact OD2-NH1 2.79Å; D571-R577 PolarHBondContact OD2-NH1 2.93Å
572E85.2Confident89.3Confident137 Ų13728.6 Ų28.664%0.6415%0.154SC*.THydrogen-bonded Turntrans-57.1-22.2179.265.3-180172.300114.5C554 G574C554-E572 HydrophobicContact CB-CG 4.36Å; C554-E572 PolarHBondContact O-N 3.14Å; E572-G574 VanDerWaalsContact C-N 3.3Å
573S82.3Confident88.3Confident64 Ų6428.8 Ų28.845%0.44815%0.152SC..THydrogen-bonded Turntrans-85.7-1.4177.376.50000113.4D571 I575D571-S573 PolarHBondContact O-N 3.17Å; D571-S573 VanDerWaalsContact O-N 3.09Å; D571-S573 WeakPolarHBondContact OD1-CA 3.41Å; D571-S573 WeakPolarHBondContact OD1-CB 3.24Å; D571-S573 PolarHBondContact OD1-N 3.13Å; D571-S573 PolarHBondContact OD1-OG 3.17Å; S573-I575 WeakPolarHBondContact OG-CD1 3.24Å; S573-I575 WeakPolarHBondContact OG-CG1 3.39Å
574G86.3Confident86.9Confident4 Ų434.5 Ų34.54%0.04118%0.183CC..SBendtrans78.919.5-177.500000113.7D571 E572 K603 D604 V605D571-G574 PolarHBondContact O-N 2.91Å; D571-G574 PolarHBondContact OD1-N 2.86Å; E572-G574 VanDerWaalsContact C-N 3.3Å; G574-K603 CarbonylContact O-C 3.59Å; G574-D604 PolarHBondContact O-N 3.34Å; G574-V605 PolarHBondContact O-N 2.93Å
575I91.5Very high85Confident30 Ų3037.1 Ų37.115%0.15420%0.201CC..  trans-89.1124.9175-61.9173.1000108.8I570 D571 S573 R577 I601 R602 K603I570-I575 WeakPolarHBondContact CA-O 3.47Å; D571-I575 PolarHBondContact N-O 3.39Å; D571-I575 WeakPolarHBondContact OD1-CB 3.37Å; D571-I575 PolarHBondContact OD1-N 3.02Å; S573-I575 WeakPolarHBondContact OG-CD1 3.24Å; S573-I575 WeakPolarHBondContact OG-CG1 3.39Å; I575-R577 HydrophobicContact CG2-CG 4.27Å; I575-I601 HydrophobicContact CG2-CG2 3.47Å; I575-I601 VanDerWaalsContact CG2-CG2 3.47Å; I575-R602 CarbonylContact C-O 3.57Å; I575-R602 WeakPolarHBondContact CA-O 3.48Å; I575-K603 HydrophobicContact CG1-CG 4.42Å
576F94.1Very high83Confident0 Ų043.7 Ų43.70%024%0.236CC..EExtended strand (participates in β ladder)trans-97.6130174.8177.2-112.6000111.3V569 I570 L578 F600 R602 V605 V608 F618 I620V569-F576 CarbonylContact O-C 3.45Å; V569-F576 VanDerWaalsContact O-CA 3.3Å; V569-F576 WeakPolarHBondContact O-CA 3.48Å; V569-F576 WeakPolarHBondContact O-CD2 3.34Å; I570-F576 HydrophobicContact CG1-CB 4.39Å; I570-F576 HydrophobicContact CG1-CD2 3.8Å; F576-L578 HydrophobicContact CE1-CD2 3.94Å; F576-L578 HydrophobicContact CE1-CG 4.09Å; F576-L578 HydrophobicContact CE2-CD2 4.39Å; F576-L578 HydrophobicContact CZ-CD2 3.51Å; F576-L578 HydrophobicContact CZ-CG 4.12Å; F576-F600 AromaticContact CD1-CE1 3.83Å; F576-F600 HydrophobicContact CD1-CE1 3.83Å; F576-F600 AromaticContact CE1-CE1 3.75Å; F576-F600 HydrophobicContact CE1-CE1 3.75Å; F576-R602 HydrophobicContact CB-CB 4.29Å; F576-R602 HydrophobicContact CD1-CB 4.47Å; F576-R602 PolarHBondContact N-O 3.17Å; F576-R602 PolarHBondContact O-N 3.01Å; F576-V605 HydrophobicContact CB-CB 3.74Å; F576-V605 HydrophobicContact CB-CG1 3.88Å; F576-V605 HydrophobicContact CB-CG2 3.77Å; F576-V605 HydrophobicContact CG-CG1 4.27Å; F576-V608 HydrophobicContact CD2-CG2 3.84Å; F576-V608 HydrophobicContact CE2-CB 4.39Å; F576-V608 HydrophobicContact CE2-CG1 4.07Å; F576-V608 HydrophobicContact CE2-CG2 3.61Å; F576-V608 HydrophobicContact CG-CG2 4.42Å; F576-V608 HydrophobicContact CZ-CG1 3.96Å; F576-V608 HydrophobicContact CZ-CG2 4.02Å; F576-F618 HydrophobicContact CE1-CD2 4.42Å; F576-F618 AromaticContact CE1-CE2 3.85Å; F576-F618 HydrophobicContact CE1-CE2 3.85Å; F576-F618 HydrophobicContact CZ-CE2 4.41Å; F576-I620 HydrophobicContact CD1-CG2 4.2Å; F576-I620 HydrophobicContact CE1-CG2 3.88Å; F576-I620 HydrophobicContact CZ-CG2 4.37Å
577R93.4Very high80.9Confident71 Ų7148 Ų4827%0.26827%0.266SS..EExtended strand (participates in β ladder)trans-130.5156.1175-61.5-174.4-176.788.9-3.9110.3G568 V569 D571 I575 H579 I601G568-R577 WeakPolarHBondContact CA-O 3.41Å; V569-R577 PolarHBondContact N-O 3.18Å; V569-R577 PolarHBondContact O-N 3.05Å; D571-R577 IonicContact OD2-CZ 3.99Å; D571-R577 IonicContact OD2-NH1 2.79Å; D571-R577 PolarHBondContact OD2-NH1 2.93Å; I575-R577 HydrophobicContact CG2-CG 4.27Å; R577-H579 VanDerWaalsContact CB-NE2 3.35Å; R577-H579 WeakPolarHBondContact CB-NE2 3.39Å; R577-I601 HydrophobicContact CG-CG1 4.43Å
578L92.3Very high78.6Confident3 Ų351.4 Ų51.42%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-111.9140.9173.4-67.5171.8000109.5L567 F576 F594 I597 F600 F610 F618 L632L567-L578 CarbonylContact O-C 3.47Å; L567-L578 WeakPolarHBondContact O-CA 3.48Å; F576-L578 HydrophobicContact CE1-CD2 3.94Å; F576-L578 HydrophobicContact CE1-CG 4.09Å; F576-L578 HydrophobicContact CE2-CD2 4.39Å; F576-L578 HydrophobicContact CZ-CD2 3.51Å; F576-L578 HydrophobicContact CZ-CG 4.12Å; L578-F594 HydrophobicContact CD1-CD1 4.49Å; L578-F594 HydrophobicContact CD1-CE1 4.28Å; L578-I597 HydrophobicContact CB-CD1 3.7Å; L578-I597 HydrophobicContact CB-CG1 3.63Å; L578-F600 HydrophobicContact CB-CD1 4.49Å; L578-F600 HydrophobicContact CD1-CD1 3.74Å; L578-F600 HydrophobicContact CD1-CE1 3.91Å; L578-F600 HydrophobicContact CD1-CG 4.36Å; L578-F600 HydrophobicContact CG-CD1 3.9Å; L578-F600 HydrophobicContact CG-CE1 4.14Å; L578-F610 HydrophobicContact CD2-CE1 4.39Å; L578-F610 HydrophobicContact CD2-CZ 3.94Å; L578-F618 HydrophobicContact CD1-CE1 3.86Å; L578-F618 HydrophobicContact CD1-CZ 3.73Å; L578-L632 HydrophobicContact CD1-CD2 3.92Å
579H90Very high76.4Confident42 Ų4256.2 Ų56.219%0.19431%0.309CS..EExtended strand (participates in β ladder)trans-135.8134.3-178.4-63.8-94000109.8V550 C566 L567 R577V550-H579 WeakPolarHBondContact CG1-CD2 3.4Å; V550-H579 VanDerWaalsContact CG1-NE2 3.3Å; V550-H579 WeakPolarHBondContact CG1-NE2 3.39Å; V550-H579 PolarHBondContact O-CE1 3.46Å; C566-H579 WeakPolarHBondContact CA-O 3.46Å; L567-H579 HydrophobicContact CB-CB 4.47Å; L567-H579 PolarHBondContact N-O 3.26Å; L567-H579 PolarHBondContact O-N 3.49Å; R577-H579 VanDerWaalsContact CB-NE2 3.35Å; R577-H579 WeakPolarHBondContact CB-NE2 3.39Å
580L88.3Confident74.2Confident66 Ų6661 Ų6135%0.34634%0.343SS..EExtended strand (participates in β ladder)trans-77.1132.6173.3-66.2172.8000109.6L589 F594 I597L580-L589 HydrophobicContact CD1-CD2 4.33Å; L580-F594 HydrophobicContact CD2-CD2 4.35Å; L580-I597 HydrophobicContact CD2-CD1 4.03Å; L580-I597 HydrophobicContact CG-CD1 3.87Å
581I87.2Confident72.3Confident8 Ų863.1 Ų63.14%0.04136%0.358CS..PPolyproline II helixtrans-77.3125.5176-64.3169.4000107.8L526 I536 F548 V560 A564 T565 L567 D583L526-I581 HydrophobicContact CD2-CD1 3.98Å; I536-I581 HydrophobicContact CD1-CG2 3.8Å; F548-I581 HydrophobicContact CE1-CG2 4.46Å; F548-I581 HydrophobicContact CZ-CG1 4.19Å; V560-I581 HydrophobicContact CG2-CD1 4.08Å; A564-I581 WeakPolarHBondContact O-CD1 3.31Å; T565-I581 PolarHBondContact O-N 3.07Å; L567-I581 HydrophobicContact CB-CD1 4.27Å; L567-I581 HydrophobicContact CB-CG1 4.08Å; I581-D583 PolarHBondContact O-N 3.26Å
582P79.3Confident70.7Confident66 Ų6664 Ų6443%0.42936%0.363SS..PPolyproline II helixtrans-64.4128.1178.6-18.630.6000111.1M546 F548M546-P582 WeakPolarHBondContact CE-O 3.46Å; F548-P582 HydrophobicContact CB-CG 4.04Å; F548-P582 HydrophobicContact CG-CG 4.14Å
583D68.5Low69.5Low37 Ų3764.9 Ų64.920%0.19837%0.365CS..  trans-109.9144.4171.9-89.1-30.6000110.7R524 I581 S585 L588R524-D583 IonicContact NH1-OD1 3.8Å; I581-D583 PolarHBondContact O-N 3.26Å; D583-S585 PolarHBondContact O-N 3.07Å; D583-L588 WeakPolarHBondContact OD2-CD1 3.36Å
584N55.5Low68.5Low171 Ų17162.5 Ų62.591%0.91435%0.347SS*.SBendtrans-68.3-10.2172.5-80-17.5000113.1
585S48.3Very low67.2Low56 Ų5670.2 Ų70.239%0.39238%0.382SS..SBendtrans-115115.8179.955.90000111.2D583 S587D583-S585 PolarHBondContact O-N 3.07Å; S585-S587 PolarHBondContact O-N 3.26Å
586N45.4Very low65.9Low149 Ų14974.6 Ų74.680%0.79741%0.405SS*.THydrogen-bonded Turntrans-58.5-5.7178-81.2-17000115.5
587S45.3Very low65.2Low90 Ų9075.2 Ų75.263%0.62941%0.409SS*.THydrogen-bonded Turntrans-87.7-12.4-17197.10000115.4S585 S590S585-S587 PolarHBondContact O-N 3.26Å; S587-S590 PolarHBondContact O-OG 3.45Å
588L44.3Very low64.2Low72 Ų7278.6 Ų78.638%0.37743%0.432SS..SBendtrans-96.6-18.1-177.2-77164.2000113.9D583 S590 S591D583-L588 WeakPolarHBondContact OD2-CD1 3.36Å; L588-S590 PolarHBondContact O-N 3.48Å; L588-S590 VanDerWaalsContact O-N 3.08Å; L588-S591 WeakPolarHBondContact O-CB 3.37Å; L588-S591 PolarHBondContact O-N 2.99Å; L588-S591 PolarHBondContact O-OG 3.12Å
589L47.5Very low63.6Low100 Ų10084.8 Ų84.852%0.52447%0.465SS..THydrogen-bonded Turntrans-59.2-19.1174.2-80.5144.7000113L580 S591L580-L589 HydrophobicContact CD1-CD2 4.33Å; L589-S591 VanDerWaalsContact C-N 3.34Å
590S48.7Very low63.6Low109 Ų10983.8 Ų83.876%0.76246%0.46SS*.THydrogen-bonded Turntrans-81.4-7174.762.40000114.7S587 L588S587-S590 PolarHBondContact O-OG 3.45Å; L588-S590 PolarHBondContact O-N 3.48Å; L588-S590 VanDerWaalsContact O-N 3.08Å
591S53.8Low63.7Low46 Ų4684.6 Ų84.632%0.32246%0.464SS..SBendtrans-85.2-14.1-171.566.40000114.6L588 L589L588-S591 WeakPolarHBondContact O-CB 3.37Å; L588-S591 PolarHBondContact O-N 2.99Å; L588-S591 PolarHBondContact O-OG 3.12Å; L589-S591 VanDerWaalsContact C-N 3.34Å
592V58.2Low64Low22 Ų2287 Ų8713%0.13347%0.472CS..  trans-119.4127.9-171.1-154.90000111.8T565 F594 N616T565-V592 WeakPolarHBondContact OG1-CG2 3.34Å; V592-F594 HydrophobicContact CB-CD2 4.13Å; V592-F594 HydrophobicContact CB-CE2 4.46Å; V592-F594 HydrophobicContact CG1-CD2 3.09Å; V592-F594 HydrophobicContact CG1-CE2 3.1Å; V592-F594 HydrophobicContact CG1-CG 3.87Å; V592-F594 HydrophobicContact CG1-CZ 3.91Å; V592-F594 PolarHBondContact O-N 3.02Å; V592-F594 VanDerWaalsContact O-N 3.07Å; V592-N616 VanDerWaalsContact CA-OD1 3.26Å; V592-N616 WeakPolarHBondContact CA-OD1 3.44Å; V592-N616 VanDerWaalsContact CG1-OD1 3.27Å; V592-N616 WeakPolarHBondContact CG1-OD1 3.5Å
593K59.4Low64.6Low157 Ų15790.2 Ų90.268%0.68348%0.48SS*.  trans-83.643-178.5-68.3-174.3179.21780113.1Q595 N616K593-Q595 PolarHBondContact O-N 3.19Å; K593-N616 PolarHBondContact N-OD1 2.67Å
594F62.3Low65.5Low14 Ų1490.5 Ų90.56%0.06148%0.481CS..  trans-99.668.1176.3-60.4-45.5000111.4C566 L578 L580 V592 I597 F618 L632C566-F594 HydrophobicContact CB-CD2 4.3Å; C566-F594 HydrophobicContact CB-CE2 3.75Å; C566-F594 WeakPolarHBondContact SG-CE2 3.46Å; L578-F594 HydrophobicContact CD1-CD1 4.49Å; L578-F594 HydrophobicContact CD1-CE1 4.28Å; L580-F594 HydrophobicContact CD2-CD2 4.35Å; V592-F594 HydrophobicContact CB-CD2 4.13Å; V592-F594 HydrophobicContact CB-CE2 4.46Å; V592-F594 HydrophobicContact CG1-CD2 3.09Å; V592-F594 HydrophobicContact CG1-CE2 3.1Å; V592-F594 HydrophobicContact CG1-CG 3.87Å; V592-F594 HydrophobicContact CG1-CZ 3.91Å; V592-F594 PolarHBondContact O-N 3.02Å; V592-F594 VanDerWaalsContact O-N 3.07Å; F594-I597 HydrophobicContact CB-CB 4.12Å; F594-I597 HydrophobicContact CB-CD1 3.83Å; F594-I597 HydrophobicContact CB-CG1 4.04Å; F594-I597 HydrophobicContact CD2-CD1 3.96Å; F594-I597 HydrophobicContact CG-CD1 4.1Å; F594-F618 AromaticContact CE1-CE1 3.97Å; F594-F618 HydrophobicContact CE1-CE1 3.97Å; F594-F618 HydrophobicContact CZ-CD1 4.44Å; F594-F618 HydrophobicContact CZ-CE1 4.28Å; F594-L632 HydrophobicContact CD1-CD2 3.66Å; F594-L632 HydrophobicContact CD1-CG 4.13Å; F594-L632 HydrophobicContact CE1-CD2 4.3Å; F594-L632 HydrophobicContact CG-CD2 4.45Å
595Q58.1Low67.3Low166 Ų16682.4 Ų82.478%0.77644%0.438SS*.THydrogen-bonded Turntrans-68.6133.7169.3-66.6-178.5-7.300109.5K593 L632K593-Q595 PolarHBondContact O-N 3.19Å; Q595-L632 WeakPolarHBondContact O-CD1 3.24Å
596N64.3Low69.3Low122 Ų12280.3 Ų80.365%0.65242%0.421SS*.THydrogen-bonded Turntrans62.237.7-177.9-55.8-30.5000115.1D598 N599N596-D598 PolarHBondContact O-N 2.92Å; N596-N599 PolarHBondContact O-N 3.34Å; N596-N599 VanDerWaalsContact O-N 3.15Å
597I79.4Confident71.5Confident13 Ų1373.7 Ų73.77%0.06739%0.386CS..G310 helixtrans-54.6-34.6179.6-156.2173.4000113.1L578 L580 F594 N599 F600L578-I597 HydrophobicContact CB-CD1 3.7Å; L578-I597 HydrophobicContact CB-CG1 3.63Å; L580-I597 HydrophobicContact CD2-CD1 4.03Å; L580-I597 HydrophobicContact CG-CD1 3.87Å; F594-I597 HydrophobicContact CB-CB 4.12Å; F594-I597 HydrophobicContact CB-CD1 3.83Å; F594-I597 HydrophobicContact CB-CG1 4.04Å; F594-I597 HydrophobicContact CD2-CD1 3.96Å; F594-I597 HydrophobicContact CG-CD1 4.1Å; I597-N599 PolarHBondContact O-N 3.24Å; I597-N599 VanDerWaalsContact O-N 3.09Å; I597-F600 WeakPolarHBondContact O-CB 3.31Å; I597-F600 PolarHBondContact O-N 3.1Å
598D71.2Confident73.8Confident141 Ų14169.5 Ų69.575%0.75436%0.356SS*.G310 helixtrans-61-23.2-178.2-57-31.2000113.5N596N596-D598 PolarHBondContact O-N 2.92Å
599N80.5Confident76.3Confident133 Ų13368.8 Ų68.871%0.71135%0.351SS*.G310 helixtrans-93.6-5.9179-68-27.7000113.2N596 I597 I601N596-N599 PolarHBondContact O-N 3.34Å; N596-N599 VanDerWaalsContact O-N 3.15Å; I597-N599 PolarHBondContact O-N 3.24Å; I597-N599 VanDerWaalsContact O-N 3.09Å; N599-I601 PolarHBondContact O-N 3.24Å
600F89.2Confident78.5Confident21 Ų2164.7 Ų64.79%0.09233%0.329CS..  trans-80.6106.2-176.9-175.2-95.1000110.8F576 L578 I597 R602 F618 F629 L632F576-F600 AromaticContact CD1-CE1 3.83Å; F576-F600 HydrophobicContact CD1-CE1 3.83Å; F576-F600 AromaticContact CE1-CE1 3.75Å; F576-F600 HydrophobicContact CE1-CE1 3.75Å; L578-F600 HydrophobicContact CB-CD1 4.49Å; L578-F600 HydrophobicContact CD1-CD1 3.74Å; L578-F600 HydrophobicContact CD1-CE1 3.91Å; L578-F600 HydrophobicContact CD1-CG 4.36Å; L578-F600 HydrophobicContact CG-CD1 3.9Å; L578-F600 HydrophobicContact CG-CE1 4.14Å; I597-F600 WeakPolarHBondContact O-CB 3.31Å; I597-F600 PolarHBondContact O-N 3.1Å; F600-R602 HydrophobicContact CE1-CG 3.89Å; F600-R602 HydrophobicContact CE2-CG 4.36Å; F600-R602 HydrophobicContact CZ-CG 3.68Å; F600-F618 HydrophobicContact CE1-CE2 4.43Å; F600-F618 HydrophobicContact CE1-CZ 4.16Å; F600-F618 HydrophobicContact CZ-CE2 4.23Å; F600-F618 AromaticContact CZ-CZ 3.9Å; F600-F618 HydrophobicContact CZ-CZ 3.9Å; F600-F629 AromaticContact CE2-CD1 4Å; F600-F629 HydrophobicContact CE2-CD1 4Å; F600-F629 AromaticContact CE2-CE1 3.53Å; F600-F629 HydrophobicContact CE2-CE1 3.53Å; F600-F629 HydrophobicContact CE2-CZ 4.11Å; F600-F629 HydrophobicContact CZ-CD1 4.1Å; F600-F629 AromaticContact CZ-CE1 3.69Å; F600-F629 HydrophobicContact CZ-CE1 3.69Å; F600-F629 HydrophobicContact CZ-CE2 4.38Å; F600-F629 AromaticContact CZ-CZ 3.86Å; F600-F629 HydrophobicContact CZ-CZ 3.86Å; F600-L632 HydrophobicContact CB-CD1 4.44Å; F600-L632 HydrophobicContact CB-CD2 4.07Å; F600-L632 HydrophobicContact CD2-CB 4.35Å; F600-L632 HydrophobicContact CD2-CD2 3.73Å; F600-L632 HydrophobicContact CD2-CG 4.45Å; F600-L632 HydrophobicContact CE2-CD2 4.28Å; F600-L632 HydrophobicContact CG-CD2 3.86Å
601I91.5Very high80.6Confident84 Ų8459.6 Ų59.643%0.43129%0.293SS..EExtended strand (participates in β ladder)trans-132.9126.9180-58.4-179.4000109I575 R577 N599I575-I601 HydrophobicContact CG2-CG2 3.47Å; I575-I601 VanDerWaalsContact CG2-CG2 3.47Å; R577-I601 HydrophobicContact CG-CG1 4.43Å; N599-I601 PolarHBondContact O-N 3.24Å
602R93.7Very high82.3Confident58 Ų5861.3 Ų61.322%0.21930%0.295CS..EExtended strand (participates in β ladder)trans-119140.9170.6-59.7-62.4-61-165.4-2.3109.2I575 F576 F600 V605 I620 E622I575-R602 CarbonylContact C-O 3.57Å; I575-R602 WeakPolarHBondContact CA-O 3.48Å; F576-R602 HydrophobicContact CB-CB 4.29Å; F576-R602 HydrophobicContact CD1-CB 4.47Å; F576-R602 PolarHBondContact N-O 3.17Å; F576-R602 PolarHBondContact O-N 3.01Å; F600-R602 HydrophobicContact CE1-CG 3.89Å; F600-R602 HydrophobicContact CE2-CG 4.36Å; F600-R602 HydrophobicContact CZ-CG 3.68Å; R602-V605 HydrophobicContact CB-CG2 3.6Å; R602-I620 HydrophobicContact CB-CD1 4.05Å; R602-I620 HydrophobicContact CG-CD1 3.75Å; R602-E622 IonicContact CZ-OE2 3.82Å; R602-E622 IonicContact NE-OE2 3.18Å; R602-E622 PolarHBondContact NE-OE2 3.22Å; R602-E622 VanDerWaalsContact NH2-CD 3.35Å; R602-E622 IonicContact NH2-OE1 2.84Å; R602-E622 PolarHBondContact NH2-OE1 3Å; R602-E622 IonicContact NH2-OE2 3.78Å; R602-E622 PolarHBondContact NH2-OE2 3.14Å
603K91.1Very high83.7Confident134 Ų13463.8 Ų63.858%0.58331%0.308SS*.SBendtrans-108.2155.5-178.3-63.2-174.1176.9-175.70109.7G574 I575 V605 E622G574-K603 CarbonylContact O-C 3.59Å; I575-K603 HydrophobicContact CG1-CG 4.42Å; K603-V605 VanDerWaalsContact C-N 3.25Å; K603-V605 PolarHBondContact O-N 3.42Å; K603-E622 VanDerWaalsContact O-CD 3.32Å; K603-E622 VanDerWaalsContact O-CG 3.25Å; K603-E622 WeakPolarHBondContact O-CG 3.41Å
604D88.6Confident85Confident43 Ų4358.4 Ų58.423%0.2329%0.287CS..SBendtrans59.933.6177.7-51.8-53.4000113.8F2 G574 E622 K623F2-D604 VanDerWaalsContact CZ-C 3.47Å; F2-D604 HydrophobicContact CZ-CB 3.98Å; F2-D604 WeakPolarHBondContact CZ-O 3.36Å; G574-D604 PolarHBondContact O-N 3.34Å; D604-E622 WeakPolarHBondContact O-CA 3.43Å; D604-K623 HydrophobicContact CB-CD 4.4Å; D604-K623 HydrophobicContact CB-CG 3.73Å; D604-K623 PolarHBondContact O-N 3.03Å; D604-K623 WeakPolarHBondContact OD2-CE 3.27Å; D604-K623 IonicContact OD2-NZ 3.21Å; D604-K623 PolarHBondContact OD2-NZ 3.24Å
605V92.2Very high86.3Confident0 Ų058.9 Ų58.90%029%0.291CS..EExtended strand (participates in β ladder)trans-90.8133.7178.7179.80000109.8I570 G574 F576 R602 K603 V608 I620 M621 E622I570-V605 HydrophobicContact CD1-CG1 4.05Å; I570-V605 HydrophobicContact CG1-CG1 4.39Å; I570-V605 WeakPolarHBondContact CG2-O 3.27Å; G574-V605 PolarHBondContact O-N 2.93Å; F576-V605 HydrophobicContact CB-CB 3.74Å; F576-V605 HydrophobicContact CB-CG1 3.88Å; F576-V605 HydrophobicContact CB-CG2 3.77Å; F576-V605 HydrophobicContact CG-CG1 4.27Å; R602-V605 HydrophobicContact CB-CG2 3.6Å; K603-V605 VanDerWaalsContact C-N 3.25Å; K603-V605 PolarHBondContact O-N 3.42Å; V605-V608 HydrophobicContact CG1-CG2 3.93Å; V605-I620 HydrophobicContact CG1-CB 4.13Å; V605-I620 HydrophobicContact CG2-CD1 4.05Å; V605-M621 VanDerWaalsContact CA-O 3.31Å; V605-M621 WeakPolarHBondContact CA-O 3.39Å; V605-E622 HydrophobicContact CG2-CB 4.31Å
606W89.9Confident87.7Confident12 Ų1251.9 Ų51.95%0.04526%0.259CS..EExtended strand (participates in β ladder)trans-128-12.5-176.158.5-94.8000114.7F2 R330 M621 K623 T642 Y643F2-W606 HydrophobicContact CB-CB 3.97Å; F2-W606 HydrophobicContact CD1-CB 3.58Å; F2-W606 AromaticContact CD1-CD1 3.71Å; F2-W606 AromaticContact CD1-CG 3.83Å; F2-W606 HydrophobicContact CD1-CG 3.83Å; F2-W606 HydrophobicContact CD2-CB 3.91Å; F2-W606 HydrophobicContact CE1-CB 4.02Å; F2-W606 AromaticContact CE1-CD1 3.66Å; F2-W606 HydrophobicContact CE1-CG 4.15Å; F2-W606 HydrophobicContact CE2-CB 4.34Å; F2-W606 HydrophobicContact CG-CB 3.53Å; F2-W606 HydrophobicContact CG-CG 4.26Å; F2-W606 HydrophobicContact CZ-CB 4.4Å; R330-W606 VanDerWaalsContact NE-CE3 3.29Å; R330-W606 VanDerWaalsContact NE-CZ2 3.27Å; W606-M621 HydrophobicContact CD2-CB 3.91Å; W606-M621 VanDerWaalsContact CE2-CB 3.4Å; W606-M621 HydrophobicContact CE3-CB 4.33Å; W606-M621 HydrophobicContact CH2-CB 3.72Å; W606-M621 HydrophobicContact CH2-CE 3.92Å; W606-M621 HydrophobicContact CH2-CG 3.69Å; W606-M621 HydrophobicContact CZ2-CB 3.36Å; W606-M621 HydrophobicContact CZ2-CE 3.5Å; W606-M621 VanDerWaalsContact CZ2-CE 3.5Å; W606-M621 HydrophobicContact CZ2-CG 3.76Å; W606-M621 HydrophobicContact CZ3-CB 4.22Å; W606-M621 HydrophobicContact CZ3-CG 4.3Å; W606-M621 PolarHBondContact N-O 3.26Å; W606-K623 PolarHBondContact NE1-O 2.99Å; W606-T642 VanDerWaalsContact CH2-O 3.31Å; W606-T642 WeakPolarHBondContact CH2-O 3.43Å; W606-Y643 AromaticContact CZ3-CD1 3.88Å; W606-Y643 HydrophobicContact CZ3-CD1 3.88Å; W606-Y643 HydrophobicContact CZ3-CE1 4.03Å; W606-Y643 HydrophobicContact CZ3-CG 4.35Å
607D92.1Very high89.1Confident11 Ų1146.2 Ų46.26%0.05923%0.229CC..EExtended strand (participates in β ladder)trans-150.9148.1176.3-163.415.8000111.2I620 M621 L644D607-I620 CarbonylContact O-C 3.54Å; D607-I620 WeakPolarHBondContact O-CA 3.45Å; D607-M621 HydrophobicContact CB-CB 3.98Å; D607-M621 HydrophobicContact CB-CG 3.99Å; D607-M621 PolarHBondContact O-N 3.32Å; D607-L644 PolarHBondContact OD2-N 3.07Å
608V95Very high89.8Confident1 Ų145.6 Ų45.61%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-146.8137.5-175.4177.70000108.7Y559 I570 F576 V605 F610 A619 I620Y559-V608 HydrophobicContact CD1-CB 4.35Å; Y559-V608 VanDerWaalsContact CD1-O 3.28Å; Y559-V608 WeakPolarHBondContact CD1-O 3.39Å; Y559-V608 HydrophobicContact CD2-CB 3.75Å; Y559-V608 HydrophobicContact CD2-CG1 4.29Å; Y559-V608 HydrophobicContact CD2-CG2 4.26Å; Y559-V608 HydrophobicContact CE1-CB 4.39Å; Y559-V608 WeakPolarHBondContact CE1-O 3.29Å; Y559-V608 HydrophobicContact CE2-CB 3.79Å; Y559-V608 HydrophobicContact CE2-CG2 4.12Å; Y559-V608 HydrophobicContact CG-CB 4.02Å; Y559-V608 HydrophobicContact CG-CG1 4.3Å; I570-V608 HydrophobicContact CD1-CG2 4Å; I570-V608 HydrophobicContact CG1-CG2 4.34Å; F576-V608 HydrophobicContact CD2-CG2 3.84Å; F576-V608 HydrophobicContact CE2-CB 4.39Å; F576-V608 HydrophobicContact CE2-CG1 4.07Å; F576-V608 HydrophobicContact CE2-CG2 3.61Å; F576-V608 HydrophobicContact CG-CG2 4.42Å; F576-V608 HydrophobicContact CZ-CG1 3.96Å; F576-V608 HydrophobicContact CZ-CG2 4.02Å; V605-V608 HydrophobicContact CG1-CG2 3.93Å; V608-F610 HydrophobicContact CG1-CE2 4.4Å; V608-A619 CarbonylContact C-O 3.42Å; V608-A619 WeakPolarHBondContact CA-O 3.3Å; V608-I620 HydrophobicContact CG1-CG2 4.24Å; V608-I620 HydrophobicContact CG2-CB 4.29Å; V608-I620 HydrophobicContact CG2-CG2 3.89Å
609K94.8Very high91Very high58 Ų5838.9 Ų38.925%0.25219%0.19SC..EExtended strand (participates in β ladder)trans-136.1121.2172.3-167.377.4-174.6-165.90109.5F618 A619 L644 Y645 F647K609-F618 CarbonylContact O-C 3.51Å; K609-F618 WeakPolarHBondContact O-CA 3.49Å; K609-A619 PolarHBondContact N-O 3.43Å; K609-A619 PolarHBondContact O-N 3.47Å; K609-L644 HydrophobicContact CB-CB 3.97Å; K609-L644 HydrophobicContact CB-CD1 3.99Å; K609-Y645 WeakPolarHBondContact CE-O 3.45Å; K609-Y645 PolarHBondContact NZ-O 3.5Å; K609-F647 HydrophobicContact CB-CB 4.38Å; K609-F647 HydrophobicContact CG-CB 3.67Å
610F94.6Very high91.7Very high14 Ų1432.5 Ų32.56%0.06116%0.156CC..EExtended strand (participates in β ladder)trans-77.1148.1168.1-73.6-81.2000110.2V560 N561 L578 V608 F618V560-F610 WeakPolarHBondContact O-CD2 3.46Å; N561-F610 HydrophobicContact CB-CB 4.3Å; N561-F610 HydrophobicContact CB-CD1 3.57Å; N561-F610 HydrophobicContact CB-CD2 4.37Å; N561-F610 HydrophobicContact CB-CE1 3.93Å; N561-F610 HydrophobicContact CB-CG 3.83Å; N561-F610 HydrophobicContact CB-CZ 4.46Å; L578-F610 HydrophobicContact CD2-CE1 4.39Å; L578-F610 HydrophobicContact CD2-CZ 3.94Å; V608-F610 HydrophobicContact CG1-CE2 4.4Å; F610-F618 HydrophobicContact CD1-CB 3.57Å; F610-F618 HydrophobicContact CD1-CG 4.31Å; F610-F618 HydrophobicContact CE1-CB 3.85Å; F610-F618 HydrophobicContact CE1-CD1 4.15Å; F610-F618 HydrophobicContact CE1-CG 4.1Å; F610-F618 HydrophobicContact CG-CB 4.19Å
611E93.6Very high91.9Very high2 Ų231.5 Ų31.51%0.00915%0.151CC..  trans-69.5135.3172-171.4172.6-145.100110.2D613 N614 I617 F647 L650E611-D613 VanDerWaalsContact C-N 3.31Å; E611-D613 PolarHBondContact O-N 3.41Å; E611-N614 WeakPolarHBondContact OE2-CB 3.36Å; E611-I617 HydrophobicContact CB-CB 4.06Å; E611-I617 HydrophobicContact CB-CG2 4.24Å; E611-I617 PolarHBondContact N-O 2.95Å; E611-I617 WeakPolarHBondContact OE2-CB 3.36Å; E611-I617 WeakPolarHBondContact OE2-CD1 3.24Å; E611-F647 WeakPolarHBondContact CA-O 3.44Å; E611-F647 HydrophobicContact CB-CD1 3.96Å; E611-F647 HydrophobicContact CB-CD2 4.22Å; E611-F647 HydrophobicContact CB-CE1 4.12Å; E611-F647 HydrophobicContact CB-CE2 4.39Å; E611-F647 HydrophobicContact CB-CG 4.03Å; E611-F647 HydrophobicContact CB-CZ 4.34Å; E611-F647 HydrophobicContact CG-CD2 4.07Å; E611-F647 HydrophobicContact CG-CE2 4.24Å; E611-F647 HydrophobicContact CG-CG 4.32Å; E611-L650 VanDerWaalsContact OE1-CA 3.27Å; E611-L650 WeakPolarHBondContact OE1-CA 3.31Å; E611-L650 PolarHBondContact OE1-N 2.94Å
612E89.4Confident91.9Very high81 Ų8129 Ų2938%0.37914%0.138SC..SBendtrans-70.1-29.9-179-68.3-176.5-176.100112.4C562 F647 K648C562-E612 WeakPolarHBondContact CB-O 3.11Å; E612-F647 PolarHBondContact N-O 3.29Å; E612-K648 HydrophobicContact CB-CG 4.44Å; E612-K648 IonicContact OE2-NZ 3.18Å
613D86.5Confident91.6Very high74 Ų7429.7 Ų29.740%0.39614%0.142SC..SBendtrans-93.3-22.4-173.8-54.7-48.1000113.1E611 K648 N649E611-D613 VanDerWaalsContact C-N 3.31Å; E611-D613 PolarHBondContact O-N 3.41Å; D613-K648 VanDerWaalsContact OD2-CG 3.27Å; D613-K648 WeakPolarHBondContact OD2-CG 3.44Å; D613-N649 WeakPolarHBondContact OD2-CA 3.32Å; D613-N649 PolarHBondContact OD2-N 3.32Å
614N87.8Confident91.4Very high44 Ų4424.4 Ų24.424%0.23512%0.121CC..  trans-137.1119.6-175.7-173.2-14.8000112.2E611 N616 I617E611-N614 WeakPolarHBondContact OE2-CB 3.36Å; N614-N616 PolarHBondContact O-N 3.39Å; N614-N616 VanDerWaalsContact O-N 3.09Å; N614-N616 WeakPolarHBondContact OD1-CB 3.48Å; N614-N616 PolarHBondContact OD1-N 2.92Å; N614-N616 PolarHBondContact OD1-ND2 3.4Å; N614-I617 HydrophobicContact CB-CD1 4.35Å; N614-I617 HydrophobicContact CB-CG1 4.39Å; N614-I617 VanDerWaalsContact ND2-CD1 3.34Å; N614-I617 WeakPolarHBondContact ND2-CD1 3.38Å; N614-I617 PolarHBondContact O-N 3.35Å
615P88.2Confident91.4Very high24 Ų2427.9 Ų27.916%0.15613%0.131CC..THydrogen-bonded Turntrans-70.9-8.8-175.829.5-37.2000114.7N561 C562 N563N561-P615 WeakPolarHBondContact ND2-CB 3.17Å; N561-P615 PolarHBondContact ND2-O 3.35Å; C562-P615 VanDerWaalsContact SG-N 3.43Å; N563-P615 HydrophobicContact CB-CB 4.48Å; N563-P615 VanDerWaalsContact CG-CB 3.49Å; N563-P615 WeakPolarHBondContact ND2-CB 3.4Å; N563-P615 VanDerWaalsContact OD1-CB 3.26Å; N563-P615 WeakPolarHBondContact OD1-CB 3.27Å
616N88.6Confident91.5Very high20 Ų2027.9 Ų27.911%0.10713%0.131CC..THydrogen-bonded Turntrans-95.4-10.5-177.3-63-68.8000113.9V592 K593 N614 G631V592-N616 VanDerWaalsContact CA-OD1 3.26Å; V592-N616 WeakPolarHBondContact CA-OD1 3.44Å; V592-N616 VanDerWaalsContact CG1-OD1 3.27Å; V592-N616 WeakPolarHBondContact CG1-OD1 3.5Å; K593-N616 PolarHBondContact N-OD1 2.67Å; N614-N616 PolarHBondContact O-N 3.39Å; N614-N616 VanDerWaalsContact O-N 3.09Å; N614-N616 WeakPolarHBondContact OD1-CB 3.48Å; N614-N616 PolarHBondContact OD1-N 2.92Å; N614-N616 PolarHBondContact OD1-ND2 3.4Å; N616-G631 PolarHBondContact O-N 3.42Å
617I92.4Very high91.7Very high2 Ų228.9 Ų28.91%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-112.2135.3-171.5-60.1-178000109.4E611 N614 F629 D630 F647 I678E611-I617 HydrophobicContact CB-CB 4.06Å; E611-I617 HydrophobicContact CB-CG2 4.24Å; E611-I617 PolarHBondContact N-O 2.95Å; E611-I617 WeakPolarHBondContact OE2-CB 3.36Å; E611-I617 WeakPolarHBondContact OE2-CD1 3.24Å; N614-I617 HydrophobicContact CB-CD1 4.35Å; N614-I617 HydrophobicContact CB-CG1 4.39Å; N614-I617 VanDerWaalsContact ND2-CD1 3.34Å; N614-I617 WeakPolarHBondContact ND2-CD1 3.38Å; N614-I617 PolarHBondContact O-N 3.35Å; I617-F629 VanDerWaalsContact CA-O 3.28Å; I617-F629 WeakPolarHBondContact CA-O 3.26Å; I617-F629 WeakPolarHBondContact CG2-O 3.3Å; I617-D630 HydrophobicContact CG1-CB 4.32Å; I617-F647 HydrophobicContact CG2-CE1 3.69Å; I617-F647 HydrophobicContact CG2-CZ 3.51Å; I617-I678 HydrophobicContact CG2-CD1 3.93Å
618F94.8Very high91.9Very high0 Ų028.6 Ų28.60%013%0.133CC..EExtended strand (participates in β ladder)trans-152.1155.6177.463.8-84.8000111.7F576 L578 F594 F600 K609 F610 I620 F629 G631F576-F618 HydrophobicContact CE1-CD2 4.42Å; F576-F618 AromaticContact CE1-CE2 3.85Å; F576-F618 HydrophobicContact CE1-CE2 3.85Å; F576-F618 HydrophobicContact CZ-CE2 4.41Å; L578-F618 HydrophobicContact CD1-CE1 3.86Å; L578-F618 HydrophobicContact CD1-CZ 3.73Å; F594-F618 AromaticContact CE1-CE1 3.97Å; F594-F618 HydrophobicContact CE1-CE1 3.97Å; F594-F618 HydrophobicContact CZ-CD1 4.44Å; F594-F618 HydrophobicContact CZ-CE1 4.28Å; F600-F618 HydrophobicContact CE1-CE2 4.43Å; F600-F618 HydrophobicContact CE1-CZ 4.16Å; F600-F618 HydrophobicContact CZ-CE2 4.23Å; F600-F618 AromaticContact CZ-CZ 3.9Å; F600-F618 HydrophobicContact CZ-CZ 3.9Å; K609-F618 CarbonylContact O-C 3.51Å; K609-F618 WeakPolarHBondContact O-CA 3.49Å; F610-F618 HydrophobicContact CD1-CB 3.57Å; F610-F618 HydrophobicContact CD1-CG 4.31Å; F610-F618 HydrophobicContact CE1-CB 3.85Å; F610-F618 HydrophobicContact CE1-CD1 4.15Å; F610-F618 HydrophobicContact CE1-CG 4.1Å; F610-F618 HydrophobicContact CG-CB 4.19Å; F618-I620 HydrophobicContact CD2-CG2 3.63Å; F618-I620 HydrophobicContact CE2-CG2 3.71Å; F618-F629 HydrophobicContact CD1-CB 3.95Å; F618-F629 HydrophobicContact CD2-CB 4.18Å; F618-F629 HydrophobicContact CD2-CD2 4.06Å; F618-F629 HydrophobicContact CD2-CG 4.4Å; F618-F629 HydrophobicContact CE1-CB 3.53Å; F618-F629 HydrophobicContact CE1-CG 4.16Å; F618-F629 HydrophobicContact CE2-CB 3.76Å; F618-F629 AromaticContact CE2-CD2 3.44Å; F618-F629 HydrophobicContact CE2-CD2 3.44Å; F618-F629 VanDerWaalsContact CE2-CD2 3.44Å; F618-F629 HydrophobicContact CE2-CE2 4.17Å; F618-F629 AromaticContact CE2-CG 3.66Å; F618-F629 HydrophobicContact CE2-CG 3.66Å; F618-F629 HydrophobicContact CG-CB 4.26Å; F618-F629 HydrophobicContact CZ-CB 3.41Å; F618-F629 VanDerWaalsContact CZ-CB 3.41Å; F618-F629 HydrophobicContact CZ-CD1 4.1Å; F618-F629 AromaticContact CZ-CD2 3.83Å; F618-F629 HydrophobicContact CZ-CD2 3.83Å; F618-F629 AromaticContact CZ-CG 3.51Å; F618-F629 HydrophobicContact CZ-CG 3.51Å; F618-F629 PolarHBondContact N-O 2.77Å; F618-F629 VanDerWaalsContact N-O 3.1Å; F618-F629 PolarHBondContact O-N 3.13Å; F618-G631 VanDerWaalsContact CE1-O 3.3Å; F618-G631 WeakPolarHBondContact CE1-O 3.22Å
619A96.3Very high91.8Very high0 Ų028.7 Ų28.70%013%0.134CC..EExtended strand (participates in β ladder)trans-114.9141.2173.700000109.5V608 K609 Y627 I628 L644 F647 V652V608-A619 CarbonylContact C-O 3.42Å; V608-A619 WeakPolarHBondContact CA-O 3.3Å; K609-A619 PolarHBondContact N-O 3.43Å; K609-A619 PolarHBondContact O-N 3.47Å; A619-Y627 CarbonylContact C-O 3.59Å; A619-Y627 WeakPolarHBondContact CA-O 3.18Å; A619-I628 HydrophobicContact CB-CG1 4.34Å; A619-L644 HydrophobicContact CB-CD1 4.03Å; A619-F647 HydrophobicContact CB-CD1 4.11Å; A619-F647 HydrophobicContact CB-CE1 4.02Å; A619-V652 HydrophobicContact CB-CG1 4.08Å; A619-V652 HydrophobicContact CB-CG2 3.92Å
620I96Very high91.5Very high0 Ų028.5 Ų28.50%014%0.135CC..EExtended strand (participates in β ladder)trans-125.9150.2173.373.7179.8000110.1F576 R602 V605 D607 V608 F618 M626 Y627 F629F576-I620 HydrophobicContact CD1-CG2 4.2Å; F576-I620 HydrophobicContact CE1-CG2 3.88Å; F576-I620 HydrophobicContact CZ-CG2 4.37Å; R602-I620 HydrophobicContact CB-CD1 4.05Å; R602-I620 HydrophobicContact CG-CD1 3.75Å; V605-I620 HydrophobicContact CG1-CB 4.13Å; V605-I620 HydrophobicContact CG2-CD1 4.05Å; D607-I620 CarbonylContact O-C 3.54Å; D607-I620 WeakPolarHBondContact O-CA 3.45Å; V608-I620 HydrophobicContact CG1-CG2 4.24Å; V608-I620 HydrophobicContact CG2-CB 4.29Å; V608-I620 HydrophobicContact CG2-CG2 3.89Å; F618-I620 HydrophobicContact CD2-CG2 3.63Å; F618-I620 HydrophobicContact CE2-CG2 3.71Å; I620-M626 WeakPolarHBondContact O-CA 3.44Å; I620-Y627 PolarHBondContact N-O 3.13Å; I620-Y627 PolarHBondContact O-N 3.16Å; I620-F629 HydrophobicContact CD1-CD2 4.48Å; I620-F629 HydrophobicContact CD1-CE2 3.51Å; I620-F629 HydrophobicContact CD1-CZ 4.09Å; I620-F629 HydrophobicContact CG1-CD2 4.47Å; I620-F629 HydrophobicContact CG1-CE2 3.79Å
621M93.4Very high91.2Very high0 Ų028 Ų280%014%0.135CC..EExtended strand (participates in β ladder)trans-104.8114.4169.1-63.5-59.8-6400110V605 W606 D607 M626 T640 T642 L644V605-M621 VanDerWaalsContact CA-O 3.31Å; V605-M621 WeakPolarHBondContact CA-O 3.39Å; W606-M621 HydrophobicContact CD2-CB 3.91Å; W606-M621 VanDerWaalsContact CE2-CB 3.4Å; W606-M621 HydrophobicContact CE3-CB 4.33Å; W606-M621 HydrophobicContact CH2-CB 3.72Å; W606-M621 HydrophobicContact CH2-CE 3.92Å; W606-M621 HydrophobicContact CH2-CG 3.69Å; W606-M621 HydrophobicContact CZ2-CB 3.36Å; W606-M621 HydrophobicContact CZ2-CE 3.5Å; W606-M621 VanDerWaalsContact CZ2-CE 3.5Å; W606-M621 HydrophobicContact CZ2-CG 3.76Å; W606-M621 HydrophobicContact CZ3-CB 4.22Å; W606-M621 HydrophobicContact CZ3-CG 4.3Å; W606-M621 PolarHBondContact N-O 3.26Å; D607-M621 HydrophobicContact CB-CB 3.98Å; D607-M621 HydrophobicContact CB-CG 3.99Å; D607-M621 PolarHBondContact O-N 3.32Å; M621-M626 HydrophobicContact CE-CB 4.42Å; M621-M626 HydrophobicContact SD-CB 3.56Å; M621-M626 VanDerWaalsContact SD-CB 3.56Å; M621-M626 HydrophobicContact SD-CG 3.76Å; M621-M626 HydrophobicContact SD-SD 4.37Å; M621-T640 HydrophobicContact CE-CG2 4.15Å; M621-T640 WeakPolarHBondContact CE-O 3.33Å; M621-T642 WeakPolarHBondContact CE-O 3.14Å; M621-L644 HydrophobicContact CG-CD1 3.89Å; M621-L644 HydrophobicContact CG-CD2 4.3Å; M621-L644 HydrophobicContact CG-CG 3.86Å; M621-L644 HydrophobicContact SD-CD1 4.46Å; M621-L644 HydrophobicContact SD-CD2 4.1Å; M621-L644 HydrophobicContact SD-CG 4.32Å
622E91.9Very high90.9Very high31 Ų3130.2 Ų30.215%0.14515%0.146CC..EExtended strand (participates in β ladder)trans-116.8114.7178.6178.3173.814000109R602 K603 D604 V605 T624 R625 Y627R602-E622 IonicContact CZ-OE2 3.82Å; R602-E622 IonicContact NE-OE2 3.18Å; R602-E622 PolarHBondContact NE-OE2 3.22Å; R602-E622 VanDerWaalsContact NH2-CD 3.35Å; R602-E622 IonicContact NH2-OE1 2.84Å; R602-E622 PolarHBondContact NH2-OE1 3Å; R602-E622 IonicContact NH2-OE2 3.78Å; R602-E622 PolarHBondContact NH2-OE2 3.14Å; K603-E622 VanDerWaalsContact O-CD 3.32Å; K603-E622 VanDerWaalsContact O-CG 3.25Å; K603-E622 WeakPolarHBondContact O-CG 3.41Å; D604-E622 WeakPolarHBondContact O-CA 3.43Å; V605-E622 HydrophobicContact CG2-CB 4.31Å; E622-T624 PolarHBondContact O-N 3.49Å; E622-R625 PolarHBondContact N-O 3.18Å; E622-R625 PolarHBondContact O-N 2.91Å; E622-Y627 HydrophobicContact CB-CD2 3.99Å; E622-Y627 HydrophobicContact CB-CE2 3.94Å; E622-Y627 HydrophobicContact CG-CE2 4.39Å
623K87.2Confident91Very high73 Ų7333.9 Ų33.932%0.31716%0.163SC..THydrogen-bonded Turntrans51.9-107.6-171.6-55.8-179.7-177-175.10111.6Y4 D604 W606Y4-K623 HydrophobicContact CD2-CB 3.94Å; Y4-K623 HydrophobicContact CD2-CD 3.98Å; Y4-K623 HydrophobicContact CD2-CG 3.67Å; Y4-K623 HydrophobicContact CE2-CB 3.71Å; Y4-K623 HydrophobicContact CE2-CD 4.35Å; Y4-K623 HydrophobicContact CE2-CG 3.98Å; Y4-K623 HydrophobicContact CG-CG 4.14Å; D604-K623 HydrophobicContact CB-CD 4.4Å; D604-K623 HydrophobicContact CB-CG 3.73Å; D604-K623 PolarHBondContact O-N 3.03Å; D604-K623 WeakPolarHBondContact OD2-CE 3.27Å; D604-K623 IonicContact OD2-NZ 3.21Å; D604-K623 PolarHBondContact OD2-NZ 3.24Å; W606-K623 PolarHBondContact NE1-O 2.99Å
624T85.9Confident91.2Very high22 Ų2232.6 Ų32.614%0.13516%0.163CC..THydrogen-bonded Turntrans-115.426.4178.966.50000111.9Y4 E622 H639 T640Y4-T624 WeakPolarHBondContact OH-CG2 3.3Å; E622-T624 PolarHBondContact O-N 3.49Å; T624-H639 PolarHBondContact O-ND1 3.23Å; T624-H639 PolarHBondContact OG1-CE1 3.17Å; T624-H639 VanDerWaalsContact OG1-CE1 3.23Å; T624-T640 CarbonylContact C-O 3.56Å; T624-T640 WeakPolarHBondContact CA-O 3.31Å; T624-T640 CarbonylContact O-C 3.52Å; T624-T640 PolarHBondContact O-N 2.78Å
625R89.4Confident91.4Very high116 Ų11631.6 Ų31.644%0.43816%0.157SC..EExtended strand (participates in β ladder)trans-132.6134.8-176.8-67.2179.2-179.2171.6-0.4110.7E622 Y627 A637 I638 T640E622-R625 PolarHBondContact N-O 3.18Å; E622-R625 PolarHBondContact O-N 2.91Å; R625-Y627 HydrophobicContact CB-CD2 4.33Å; R625-Y627 HydrophobicContact CB-CE2 3.75Å; R625-A637 HydrophobicContact CB-CB 4.33Å; R625-I638 CarbonylContact C-O 3.55Å; R625-I638 VanDerWaalsContact CA-O 3.27Å; R625-I638 WeakPolarHBondContact CA-O 3.27Å; R625-T640 PolarHBondContact N-O 3.31Å
626M92.9Very high91.6Very high1 Ų134.9 Ų34.91%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-91.8129.6168.7-172.7174.164.200109.5I620 M621 I628 A637 I638 T640 L644 V652 T676I620-M626 WeakPolarHBondContact O-CA 3.44Å; M621-M626 HydrophobicContact CE-CB 4.42Å; M621-M626 HydrophobicContact SD-CB 3.56Å; M621-M626 VanDerWaalsContact SD-CB 3.56Å; M621-M626 HydrophobicContact SD-CG 3.76Å; M621-M626 HydrophobicContact SD-SD 4.37Å; M626-I628 HydrophobicContact CE-CD1 4.24Å; M626-I628 HydrophobicContact CE-CG1 4.5Å; M626-A637 WeakPolarHBondContact O-CA 3.44Å; M626-I638 HydrophobicContact CB-CB 4.46Å; M626-I638 HydrophobicContact CE-CB 4.29Å; M626-I638 HydrophobicContact CE-CD1 3.57Å; M626-I638 PolarHBondContact N-O 3.47Å; M626-I638 PolarHBondContact O-N 3.35Å; M626-T640 HydrophobicContact CB-CG2 3.66Å; M626-L644 HydrophobicContact SD-CD2 3.92Å; M626-V652 HydrophobicContact SD-CB 4.23Å; M626-V652 HydrophobicContact SD-CG1 3.69Å; M626-T676 HydrophobicContact CE-CG2 3.6Å
627Y95.1Very high91.7Very high33 Ų3336 Ų3613%0.12919%0.19CC..EExtended strand (participates in β ladder)trans-114.8130.6170.7-68.6-97.3000108.6A619 I620 E622 R625 F629 A634 A637A619-Y627 CarbonylContact C-O 3.59Å; A619-Y627 WeakPolarHBondContact CA-O 3.18Å; I620-Y627 PolarHBondContact N-O 3.13Å; I620-Y627 PolarHBondContact O-N 3.16Å; E622-Y627 HydrophobicContact CB-CD2 3.99Å; E622-Y627 HydrophobicContact CB-CE2 3.94Å; E622-Y627 HydrophobicContact CG-CE2 4.39Å; R625-Y627 HydrophobicContact CB-CD2 4.33Å; R625-Y627 HydrophobicContact CB-CE2 3.75Å; Y627-F629 VanDerWaalsContact CB-CE2 3.5Å; Y627-F629 HydrophobicContact CG-CE2 4.47Å; Y627-A634 HydrophobicContact CD1-CB 4.47Å; Y627-A637 HydrophobicContact CD1-CB 4Å; Y627-A637 HydrophobicContact CE1-CB 3.55Å; Y627-A637 HydrophobicContact CE2-CB 4.14Å; Y627-A637 HydrophobicContact CG-CB 4.48Å
628I95.1Very high91.5Very high4 Ų437.7 Ų37.72%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-106.2132.7174.1-57.8174.4000107.2A619 M626 E635 I638 F647 V652 T676 I678A619-I628 HydrophobicContact CB-CG1 4.34Å; M626-I628 HydrophobicContact CE-CD1 4.24Å; M626-I628 HydrophobicContact CE-CG1 4.5Å; I628-E635 HydrophobicContact CB-CB 4.35Å; I628-E635 HydrophobicContact CB-CG 4.34Å; I628-E635 PolarHBondContact O-N 2.9Å; I628-I638 HydrophobicContact CD1-CD1 4.43Å; I628-F647 HydrophobicContact CG2-CZ 4.17Å; I628-V652 HydrophobicContact CD1-CG2 3.78Å; I628-V652 HydrophobicContact CG1-CG2 4.1Å; I628-T676 HydrophobicContact CD1-CG2 4.42Å; I628-I678 HydrophobicContact CG2-CG1 4.21Å
629F93.4Very high91.1Very high3 Ų339.2 Ų39.21%0.01321%0.206CC..EExtended strand (participates in β ladder)trans-117.6134.4-178.3-70.5-94.7000110.5F600 I617 F618 I620 Y627 Q633 A634F600-F629 AromaticContact CE2-CD1 4Å; F600-F629 HydrophobicContact CE2-CD1 4Å; F600-F629 AromaticContact CE2-CE1 3.53Å; F600-F629 HydrophobicContact CE2-CE1 3.53Å; F600-F629 HydrophobicContact CE2-CZ 4.11Å; F600-F629 HydrophobicContact CZ-CD1 4.1Å; F600-F629 AromaticContact CZ-CE1 3.69Å; F600-F629 HydrophobicContact CZ-CE1 3.69Å; F600-F629 HydrophobicContact CZ-CE2 4.38Å; F600-F629 AromaticContact CZ-CZ 3.86Å; F600-F629 HydrophobicContact CZ-CZ 3.86Å; I617-F629 VanDerWaalsContact CA-O 3.28Å; I617-F629 WeakPolarHBondContact CA-O 3.26Å; I617-F629 WeakPolarHBondContact CG2-O 3.3Å; F618-F629 HydrophobicContact CD1-CB 3.95Å; F618-F629 HydrophobicContact CD2-CB 4.18Å; F618-F629 HydrophobicContact CD2-CD2 4.06Å; F618-F629 HydrophobicContact CD2-CG 4.4Å; F618-F629 HydrophobicContact CE1-CB 3.53Å; F618-F629 HydrophobicContact CE1-CG 4.16Å; F618-F629 HydrophobicContact CE2-CB 3.76Å; F618-F629 AromaticContact CE2-CD2 3.44Å; F618-F629 HydrophobicContact CE2-CD2 3.44Å; F618-F629 VanDerWaalsContact CE2-CD2 3.44Å; F618-F629 HydrophobicContact CE2-CE2 4.17Å; F618-F629 AromaticContact CE2-CG 3.66Å; F618-F629 HydrophobicContact CE2-CG 3.66Å; F618-F629 HydrophobicContact CG-CB 4.26Å; F618-F629 HydrophobicContact CZ-CB 3.41Å; F618-F629 VanDerWaalsContact CZ-CB 3.41Å; F618-F629 HydrophobicContact CZ-CD1 4.1Å; F618-F629 AromaticContact CZ-CD2 3.83Å; F618-F629 HydrophobicContact CZ-CD2 3.83Å; F618-F629 AromaticContact CZ-CG 3.51Å; F618-F629 HydrophobicContact CZ-CG 3.51Å; F618-F629 PolarHBondContact N-O 2.77Å; F618-F629 VanDerWaalsContact N-O 3.1Å; F618-F629 PolarHBondContact O-N 3.13Å; I620-F629 HydrophobicContact CD1-CD2 4.48Å; I620-F629 HydrophobicContact CD1-CE2 3.51Å; I620-F629 HydrophobicContact CD1-CZ 4.09Å; I620-F629 HydrophobicContact CG1-CD2 4.47Å; I620-F629 HydrophobicContact CG1-CE2 3.79Å; Y627-F629 VanDerWaalsContact CB-CE2 3.5Å; Y627-F629 HydrophobicContact CG-CE2 4.47Å; F629-Q633 WeakPolarHBondContact CA-O 3.22Å; F629-A634 HydrophobicContact CD1-CB 3.95Å; F629-A634 HydrophobicContact CE1-CB 3.51Å; F629-A634 HydrophobicContact CZ-CB 3.87Å
630D90Very high90.5Very high54 Ų5439.5 Ų39.529%0.28921%0.208SC..EExtended strand (participates in β ladder)trans-111.7106.5163-172.5-6.7000107.2I617 L632 Q633 K680I617-D630 HydrophobicContact CG1-CB 4.32Å; D630-L632 PolarHBondContact O-N 3.44Å; D630-Q633 PolarHBondContact N-O 2.7Å; D630-Q633 VanDerWaalsContact N-O 3.09Å; D630-Q633 PolarHBondContact O-N 3.26Å; D630-K680 VanDerWaalsContact OD2-CE 3.3Å; D630-K680 WeakPolarHBondContact OD2-CE 3.46Å; D630-K680 IonicContact OD2-NZ 2.67Å; D630-K680 PolarHBondContact OD2-NZ 2.59Å
631G87.3Confident90Very high4 Ų439.7 Ų39.74%0.04121%0.209CC..THydrogen-bonded Turntrans64-126.4-161.700000110.5N616 F618N616-G631 PolarHBondContact O-N 3.42Å; F618-G631 VanDerWaalsContact CE1-O 3.3Å; F618-G631 WeakPolarHBondContact CE1-O 3.22Å
632L88.3Confident89.8Confident49 Ų4939.7 Ų39.726%0.25721%0.209SC..THydrogen-bonded Turntrans-98.53.1174.8-56.5-175.2000113.2L578 F594 Q595 F600 D630L578-L632 HydrophobicContact CD1-CD2 3.92Å; F594-L632 HydrophobicContact CD1-CD2 3.66Å; F594-L632 HydrophobicContact CD1-CG 4.13Å; F594-L632 HydrophobicContact CE1-CD2 4.3Å; F594-L632 HydrophobicContact CG-CD2 4.45Å; Q595-L632 WeakPolarHBondContact O-CD1 3.24Å; F600-L632 HydrophobicContact CB-CD1 4.44Å; F600-L632 HydrophobicContact CB-CD2 4.07Å; F600-L632 HydrophobicContact CD2-CB 4.35Å; F600-L632 HydrophobicContact CD2-CD2 3.73Å; F600-L632 HydrophobicContact CD2-CG 4.45Å; F600-L632 HydrophobicContact CE2-CD2 4.28Å; F600-L632 HydrophobicContact CG-CD2 3.86Å; D630-L632 PolarHBondContact O-N 3.44Å
633Q89.7Confident89.7Confident157 Ų15738.7 Ų38.773%0.73420%0.204SC*.EExtended strand (participates in β ladder)trans-88.6117.7-178.2-171.717313.100110.8F629 D630F629-Q633 WeakPolarHBondContact CA-O 3.22Å; D630-Q633 PolarHBondContact N-O 2.7Å; D630-Q633 VanDerWaalsContact N-O 3.09Å; D630-Q633 PolarHBondContact O-N 3.26Å
634A91.6Very high90.1Very high47 Ų4735.5 Ų35.539%0.38819%0.19SC..EExtended strand (participates in β ladder)trans-81.7138.5178.300000112.5Y627 F629Y627-A634 HydrophobicContact CD1-CB 4.47Å; F629-A634 HydrophobicContact CD1-CB 3.95Å; F629-A634 HydrophobicContact CE1-CB 3.51Å; F629-A634 HydrophobicContact CZ-CB 3.87Å
635E92.2Very high90.4Very high24 Ų2434.8 Ų34.811%0.11219%0.185CC..PPolyproline II helixtrans-73.6163.4162.6-67.9-163.8177.300112.1I628 A637 I678 K679 R682I628-E635 HydrophobicContact CB-CB 4.35Å; I628-E635 HydrophobicContact CB-CG 4.34Å; I628-E635 PolarHBondContact O-N 2.9Å; E635-A637 PolarHBondContact O-N 3.1Å; E635-I678 WeakPolarHBondContact OE1-CG2 3.48Å; E635-K679 HydrophobicContact CG-CB 4.22Å; E635-K679 WeakPolarHBondContact OE1-CB 3.24Å; E635-K679 PolarHBondContact OE1-N 2.86Å; E635-K679 WeakPolarHBondContact OE2-CB 3.38Å; E635-K679 PolarHBondContact OE2-N 3.13Å; E635-R682 IonicContact OE2-CZ 3.87Å; E635-R682 IonicContact OE2-NH2 2.74Å; E635-R682 PolarHBondContact OE2-NH2 3.34Å
636P91.2Very high90.6Very high92 Ų9230.4 Ų30.460%0.59717%0.17SC*.PPolyproline II helixtrans-53.5128.4168.8-24.634.2000111.2
637A90.9Very high90.6Very high43 Ų4330.3 Ų30.336%0.35517%0.169SC..PPolyproline II helixtrans-60.6141.9-177.400000112.2R625 M626 Y627 E635R625-A637 HydrophobicContact CB-CB 4.33Å; M626-A637 WeakPolarHBondContact O-CA 3.44Å; Y627-A637 HydrophobicContact CD1-CB 4Å; Y627-A637 HydrophobicContact CE1-CB 3.55Å; Y627-A637 HydrophobicContact CE2-CB 4.14Å; Y627-A637 HydrophobicContact CG-CB 4.48Å; E635-A637 PolarHBondContact O-N 3.1Å
638I88.9Confident90.4Very high38 Ų3832.3 Ų32.320%0.19518%0.179CC..EExtended strand (participates in β ladder)trans-108.2127.5175.8-62.9150.8000108.1R625 M626 I628 T640 T676R625-I638 CarbonylContact C-O 3.55Å; R625-I638 VanDerWaalsContact CA-O 3.27Å; R625-I638 WeakPolarHBondContact CA-O 3.27Å; M626-I638 HydrophobicContact CB-CB 4.46Å; M626-I638 HydrophobicContact CE-CB 4.29Å; M626-I638 HydrophobicContact CE-CD1 3.57Å; M626-I638 PolarHBondContact N-O 3.47Å; M626-I638 PolarHBondContact O-N 3.35Å; I628-I638 HydrophobicContact CD1-CD1 4.43Å; I638-T640 HydrophobicContact CG2-CG2 4.22Å; I638-T640 PolarHBondContact O-N 3.32Å; I638-T676 HydrophobicContact CD1-CG2 3.34Å
639H85.6Confident90.1Very high32 Ų3235 Ų3515%0.14819%0.193CC..EExtended strand (participates in β ladder)trans-76.8110.7-179.6-167.177.3000110H51 A55 T624H51-H639 AromaticContact CD2-CD2 3.95Å; H51-H639 PolarHBondContact CE1-O 3.13Å; H51-H639 PolarHBondContact ND1-O 3.11Å; H51-H639 VanDerWaalsContact ND1-O 3.1Å; A55-H639 PolarHBondContact O-CE1 3.09Å; A55-H639 PolarHBondContact O-NE2 3.31Å; T624-H639 PolarHBondContact O-ND1 3.23Å; T624-H639 PolarHBondContact OG1-CE1 3.17Å; T624-H639 VanDerWaalsContact OG1-CE1 3.23Å
640T85.2Confident89.9Confident7 Ų735.2 Ų35.24%0.04319%0.194CC..  trans-166.6153.2-177.51780000111M621 T624 R625 M626 I638 T642 L674M621-T640 HydrophobicContact CE-CG2 4.15Å; M621-T640 WeakPolarHBondContact CE-O 3.33Å; T624-T640 CarbonylContact C-O 3.56Å; T624-T640 WeakPolarHBondContact CA-O 3.31Å; T624-T640 CarbonylContact O-C 3.52Å; T624-T640 PolarHBondContact O-N 2.78Å; R625-T640 PolarHBondContact N-O 3.31Å; M626-T640 HydrophobicContact CB-CG2 3.66Å; I638-T640 HydrophobicContact CG2-CG2 4.22Å; I638-T640 PolarHBondContact O-N 3.32Å; T640-T642 HydrophobicContact CG2-CG2 4.21Å; T640-T642 WeakPolarHBondContact OG1-CB 3.4Å; T640-T642 PolarHBondContact OG1-N 3.17Å; T640-L674 HydrophobicContact CG2-CD2 3.96Å; T640-L674 WeakPolarHBondContact OG1-CD2 3.3Å
641S83.9Confident90Very high3 Ų334.5 Ų34.52%0.02119%0.189CC..  trans-119.738.8172.557.10000111A55 R330A55-S641 WeakPolarHBondContact CB-OG 3.42Å; A55-S641 PolarHBondContact N-OG 3.43Å; R330-S641 PolarHBondContact NH1-O 3.49Å; R330-S641 PolarHBondContact NH2-O 3.06Å
642T89.3Confident90.4Very high1 Ų134.4 Ų34.41%0.00619%0.188CC..PPolyproline II helixtrans-80.4140.1-179.1-159.60000111.8W606 M621 T640 L644 G654 V655 L674W606-T642 VanDerWaalsContact CH2-O 3.31Å; W606-T642 WeakPolarHBondContact CH2-O 3.43Å; M621-T642 WeakPolarHBondContact CE-O 3.14Å; T640-T642 HydrophobicContact CG2-CG2 4.21Å; T640-T642 WeakPolarHBondContact OG1-CB 3.4Å; T640-T642 PolarHBondContact OG1-N 3.17Å; T642-L644 HydrophobicContact CG2-CD2 4.03Å; T642-G654 VanDerWaalsContact OG1-CA 3.26Å; T642-G654 WeakPolarHBondContact OG1-CA 3.38Å; T642-V655 VanDerWaalsContact OG1-C 3.3Å; T642-V655 PolarHBondContact OG1-N 3.17Å; T642-V655 PolarHBondContact OG1-O 3.01Å; T642-L674 HydrophobicContact CG2-CD2 3.89Å
643Y91.8Very high90.6Very high9 Ų933.7 Ų33.74%0.03518%0.183CC..EExtended strand (participates in β ladder)trans-81.1128.7170.3-71.4-97.3000109.2R330 P331 Y333 W606 G654 V655 L657R330-Y643 WeakPolarHBondContact CG-OH 3.13Å; R330-Y643 VanDerWaalsContact CZ-CZ 3.43Å; R330-Y643 PolarHBondContact NE-OH 3Å; R330-Y643 VanDerWaalsContact NH2-CZ 3.28Å; P331-Y643 PolarHBondContact O-OH 3.12Å; Y333-Y643 AromaticContact CD2-CE2 3.92Å; Y333-Y643 HydrophobicContact CD2-CE2 3.92Å; Y333-Y643 AromaticContact CD2-CZ 3.74Å; Y333-Y643 WeakPolarHBondContact CD2-OH 2.97Å; Y333-Y643 HydrophobicContact CE2-CE2 4.04Å; W606-Y643 AromaticContact CZ3-CD1 3.88Å; W606-Y643 HydrophobicContact CZ3-CD1 3.88Å; W606-Y643 HydrophobicContact CZ3-CE1 4.03Å; W606-Y643 HydrophobicContact CZ3-CG 4.35Å; Y643-G654 CarbonylContact O-C 3.54Å; Y643-G654 WeakPolarHBondContact O-CA 3.43Å; Y643-V655 PolarHBondContact N-O 3.33Å; Y643-V655 PolarHBondContact O-N 3.43Å; Y643-L657 HydrophobicContact CD1-CD1 4.09Å; Y643-L657 HydrophobicContact CD2-CB 3.65Å; Y643-L657 HydrophobicContact CD2-CD1 3.63Å; Y643-L657 HydrophobicContact CD2-CG 3.7Å; Y643-L657 HydrophobicContact CE1-CD1 4.47Å; Y643-L657 HydrophobicContact CE2-CB 3.72Å; Y643-L657 HydrophobicContact CE2-CD1 4.04Å; Y643-L657 HydrophobicContact CE2-CG 4.21Å; Y643-L657 HydrophobicContact CG-CD1 3.66Å; Y643-L657 HydrophobicContact CG-CG 4.13Å
644L94.1Very high90.8Very high7 Ų726.2 Ų26.24%0.03715%0.149CC..EExtended strand (participates in β ladder)trans-81.6124.4-174-56-179.3000110D607 K609 A619 M621 M626 T642 V652D607-L644 PolarHBondContact OD2-N 3.07Å; K609-L644 HydrophobicContact CB-CB 3.97Å; K609-L644 HydrophobicContact CB-CD1 3.99Å; A619-L644 HydrophobicContact CB-CD1 4.03Å; M621-L644 HydrophobicContact CG-CD1 3.89Å; M621-L644 HydrophobicContact CG-CD2 4.3Å; M621-L644 HydrophobicContact CG-CG 3.86Å; M621-L644 HydrophobicContact SD-CD1 4.46Å; M621-L644 HydrophobicContact SD-CD2 4.1Å; M621-L644 HydrophobicContact SD-CG 4.32Å; M626-L644 HydrophobicContact SD-CD2 3.92Å; T642-L644 HydrophobicContact CG2-CD2 4.03Å; L644-V652 HydrophobicContact CD2-CG1 3.64Å
645Y92.8Very high90.8Very high7 Ų724 Ų243%0.02713%0.13CC..EExtended strand (participates in β ladder)trans-113.3-38179.867.2-99.6000113.5Y337 I344 K609 Q653 V655 L673Y337-Y645 AromaticContact CD1-CD2 3.67Å; Y337-Y645 HydrophobicContact CD1-CD2 3.67Å; Y337-Y645 HydrophobicContact CD1-CG 4.45Å; Y337-Y645 AromaticContact CD2-CD2 3.85Å; Y337-Y645 HydrophobicContact CD2-CD2 3.85Å; Y337-Y645 HydrophobicContact CD2-CE2 4.28Å; Y337-Y645 HydrophobicContact CD2-CG 4.49Å; Y337-Y645 AromaticContact CE1-CD2 3.6Å; Y337-Y645 HydrophobicContact CE1-CD2 3.6Å; Y337-Y645 HydrophobicContact CE1-CE2 4.05Å; Y337-Y645 AromaticContact CE2-CD2 3.81Å; Y337-Y645 HydrophobicContact CE2-CD2 3.81Å; Y337-Y645 AromaticContact CE2-CE2 3.82Å; Y337-Y645 HydrophobicContact CE2-CE2 3.82Å; Y337-Y645 AromaticContact CG-CD2 3.77Å; Y337-Y645 HydrophobicContact CG-CD2 3.77Å; Y337-Y645 HydrophobicContact CG-CG 4.3Å; Y337-Y645 AromaticContact CZ-CD2 3.66Å; Y337-Y645 AromaticContact CZ-CE2 3.67Å; I344-Y645 HydrophobicContact CD1-CE1 4.3Å; K609-Y645 WeakPolarHBondContact CE-O 3.45Å; K609-Y645 PolarHBondContact NZ-O 3.5Å; Y645-Q653 HydrophobicContact CD1-CB 4.41Å; Y645-Q653 HydrophobicContact CD2-CB 4.33Å; Y645-Q653 HydrophobicContact CE1-CB 3.82Å; Y645-Q653 HydrophobicContact CE2-CB 3.71Å; Y645-Q653 VanDerWaalsContact CZ-CB 3.43Å; Y645-Q653 PolarHBondContact N-O 3.33Å; Y645-Q653 VanDerWaalsContact N-O 3.1Å; Y645-Q653 PolarHBondContact OH-OE1 3.43Å; Y645-V655 HydrophobicContact CD1-CB 4.25Å; Y645-V655 HydrophobicContact CD1-CG1 4.16Å; Y645-V655 HydrophobicContact CE1-CB 4.37Å; Y645-L673 HydrophobicContact CE1-CD2 4.37Å
646E92.7Very high90.6Very high23 Ų2324.3 Ų24.311%0.10713%0.133CC..EExtended strand (participates in β ladder)trans-140.6136.6-177.5-174.3170.8-173.700110Y337 K648 Q653Y337-E646 HydrophobicContact CE1-CB 4.02Å; Y337-E646 HydrophobicContact CE1-CG 4.48Å; Y337-E646 WeakPolarHBondContact CE1-OE2 3.39Å; Y337-E646 PolarHBondContact OH-OE2 2.84Å; E646-K648 HydrophobicContact CG-CB 4.07Å; E646-Q653 HydrophobicContact CB-CB 4.3Å; E646-Q653 PolarHBondContact O-N 2.98Å; E646-Q653 PolarHBondContact OE2-OE1 3.44Å
647F94.1Very high90.4Very high0 Ų020 Ų200%010%0.104CC..EExtended strand (participates in β ladder)trans-132.998.2169.6-170.5-179.2000107.9K609 E611 E612 I617 A619 I628 E651 V652 I678K609-F647 HydrophobicContact CB-CB 4.38Å; K609-F647 HydrophobicContact CG-CB 3.67Å; E611-F647 WeakPolarHBondContact CA-O 3.44Å; E611-F647 HydrophobicContact CB-CD1 3.96Å; E611-F647 HydrophobicContact CB-CD2 4.22Å; E611-F647 HydrophobicContact CB-CE1 4.12Å; E611-F647 HydrophobicContact CB-CE2 4.39Å; E611-F647 HydrophobicContact CB-CG 4.03Å; E611-F647 HydrophobicContact CB-CZ 4.34Å; E611-F647 HydrophobicContact CG-CD2 4.07Å; E611-F647 HydrophobicContact CG-CE2 4.24Å; E611-F647 HydrophobicContact CG-CG 4.32Å; E612-F647 PolarHBondContact N-O 3.29Å; I617-F647 HydrophobicContact CG2-CE1 3.69Å; I617-F647 HydrophobicContact CG2-CZ 3.51Å; A619-F647 HydrophobicContact CB-CD1 4.11Å; A619-F647 HydrophobicContact CB-CE1 4.02Å; I628-F647 HydrophobicContact CG2-CZ 4.17Å; F647-E651 WeakPolarHBondContact CD2-O 3.4Å; F647-V652 HydrophobicContact CD1-CG2 3.92Å; F647-V652 HydrophobicContact CD2-CB 4.39Å; F647-V652 HydrophobicContact CD2-CG2 3.66Å; F647-V652 HydrophobicContact CE1-CG2 3.71Å; F647-V652 HydrophobicContact CE2-CB 4.5Å; F647-V652 HydrophobicContact CE2-CG2 3.43Å; F647-V652 VanDerWaalsContact CE2-CG2 3.43Å; F647-V652 HydrophobicContact CG-CG2 3.89Å; F647-V652 HydrophobicContact CZ-CG2 3.45Å; F647-V652 VanDerWaalsContact CZ-CG2 3.45Å; F647-I678 HydrophobicContact CE2-CD1 3.55Å; F647-I678 HydrophobicContact CE2-CG1 3.88Å; F647-I678 HydrophobicContact CZ-CD1 3.45Å; F647-I678 VanDerWaalsContact CZ-CD1 3.45Å; F647-I678 HydrophobicContact CZ-CG1 3.85Å
648K91.2Very high89.9Confident74 Ų7418.1 Ų18.132%0.3229%0.088SC..EExtended strand (participates in β ladder)trans-146.7150.5-173.6-168.1178.8-173.9156.80109.8E612 D613 E646 L650 E651E612-K648 HydrophobicContact CB-CG 4.44Å; E612-K648 IonicContact OE2-NZ 3.18Å; D613-K648 VanDerWaalsContact OD2-CG 3.27Å; D613-K648 WeakPolarHBondContact OD2-CG 3.44Å; E646-K648 HydrophobicContact CG-CB 4.07Å; K648-L650 PolarHBondContact O-N 2.66Å; K648-E651 PolarHBondContact N-O 3.45Å; K648-E651 PolarHBondContact O-N 3.3Å
649N87.7Confident89.5Confident62 Ų6218.1 Ų18.133%0.3329%0.087SC..THydrogen-bonded Turntrans50.852.9178.6-61.1-60.7000111.5D613 E651 K707D613-N649 WeakPolarHBondContact OD2-CA 3.32Å; D613-N649 PolarHBondContact OD2-N 3.32Å; N649-E651 PolarHBondContact O-N 3.44Å; N649-K707 HydrophobicContact CB-CB 4.29Å; N649-K707 HydrophobicContact CB-CD 3.93Å; N649-K707 WeakPolarHBondContact O-CD 3.49Å; N649-K707 WeakPolarHBondContact O-CE 3.18Å; N649-K707 PolarHBondContact O-NZ 3.49Å
650L90.1Very high89.3Confident6 Ų616.8 Ų16.83%0.0318%0.081CC..THydrogen-bonded Turntrans55.128.3177.1-50.4174.5000115.1E611 K648 I678 V681 H705 L708E611-L650 VanDerWaalsContact OE1-CA 3.27Å; E611-L650 WeakPolarHBondContact OE1-CA 3.31Å; E611-L650 PolarHBondContact OE1-N 2.94Å; K648-L650 PolarHBondContact O-N 2.66Å; L650-I678 HydrophobicContact CB-CD1 4Å; L650-I678 HydrophobicContact CB-CG1 4.41Å; L650-I678 HydrophobicContact CD2-CD1 3.95Å; L650-I678 WeakPolarHBondContact O-CG1 3.31Å; L650-I678 PolarHBondContact O-N 3Å; L650-V681 HydrophobicContact CB-CG2 3.58Å; L650-V681 HydrophobicContact CD1-CG2 3.87Å; L650-V681 HydrophobicContact CG-CG2 4.41Å; L650-H705 HydrophobicContact CD1-CB 4.09Å; L650-L708 HydrophobicContact CD1-CD1 4.19Å; L650-L708 HydrophobicContact CD1-CD2 4.32Å; L650-L708 HydrophobicContact CD1-CG 3.99Å
651E92.5Very high89.1Confident40 Ų4017.8 Ų17.819%0.1879%0.088CC..EExtended strand (participates in β ladder)trans-142.2126.4178.8178.3164.9-135.500111.5F647 K648 N649 Q653 K675 T676 K707F647-E651 WeakPolarHBondContact CD2-O 3.4Å; K648-E651 PolarHBondContact N-O 3.45Å; K648-E651 PolarHBondContact O-N 3.3Å; N649-E651 PolarHBondContact O-N 3.44Å; E651-Q653 HydrophobicContact CG-CG 4.45Å; E651-K675 WeakPolarHBondContact OE1-CB 3.24Å; E651-T676 WeakPolarHBondContact CA-O 3.27Å; E651-K707 IonicContact OE2-NZ 2.76Å; E651-K707 PolarHBondContact OE2-NZ 3.12Å
652V93.8Very high88.6Confident2 Ų223.6 Ų23.61%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-88.8124.9176.1-174.30000108A619 M626 I628 L644 F647 T676A619-V652 HydrophobicContact CB-CG1 4.08Å; A619-V652 HydrophobicContact CB-CG2 3.92Å; M626-V652 HydrophobicContact SD-CB 4.23Å; M626-V652 HydrophobicContact SD-CG1 3.69Å; I628-V652 HydrophobicContact CD1-CG2 3.78Å; I628-V652 HydrophobicContact CG1-CG2 4.1Å; L644-V652 HydrophobicContact CD2-CG1 3.64Å; F647-V652 HydrophobicContact CD1-CG2 3.92Å; F647-V652 HydrophobicContact CD2-CB 4.39Å; F647-V652 HydrophobicContact CD2-CG2 3.66Å; F647-V652 HydrophobicContact CE1-CG2 3.71Å; F647-V652 HydrophobicContact CE2-CB 4.5Å; F647-V652 HydrophobicContact CE2-CG2 3.43Å; F647-V652 VanDerWaalsContact CE2-CG2 3.43Å; F647-V652 HydrophobicContact CG-CG2 3.89Å; F647-V652 HydrophobicContact CZ-CG2 3.45Å; F647-V652 VanDerWaalsContact CZ-CG2 3.45Å; V652-T676 PolarHBondContact N-O 2.83Å; V652-T676 PolarHBondContact O-N 3.46Å
653Q93.9Very high87.7Confident33 Ų3325.4 Ų25.415%0.15412%0.123CC..EExtended strand (participates in β ladder)trans-110135.8175.9-54-172.5-1.700110.3Y645 E646 E651 L674 K675Y645-Q653 HydrophobicContact CD1-CB 4.41Å; Y645-Q653 HydrophobicContact CD2-CB 4.33Å; Y645-Q653 HydrophobicContact CE1-CB 3.82Å; Y645-Q653 HydrophobicContact CE2-CB 3.71Å; Y645-Q653 VanDerWaalsContact CZ-CB 3.43Å; Y645-Q653 PolarHBondContact N-O 3.33Å; Y645-Q653 VanDerWaalsContact N-O 3.1Å; Y645-Q653 PolarHBondContact OH-OE1 3.43Å; E646-Q653 HydrophobicContact CB-CB 4.3Å; E646-Q653 PolarHBondContact O-N 2.98Å; E646-Q653 PolarHBondContact OE2-OE1 3.44Å; E651-Q653 HydrophobicContact CG-CG 4.45Å; Q653-L674 WeakPolarHBondContact CA-O 3.3Å; Q653-K675 HydrophobicContact CG-CG 4.45Å
654G92.8Very high86.5Confident1 Ų127.5 Ų27.51%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-143.1162.9176.900000113T642 Y643 L674T642-G654 VanDerWaalsContact OG1-CA 3.26Å; T642-G654 WeakPolarHBondContact OG1-CA 3.38Å; Y643-G654 CarbonylContact O-C 3.54Å; Y643-G654 WeakPolarHBondContact O-CA 3.43Å; G654-L674 PolarHBondContact N-O 2.96Å; G654-L674 PolarHBondContact O-N 3.38Å
655V91.7Very high85.1Confident0 Ų034 Ų340%017%0.172CC..EExtended strand (participates in β ladder)trans-124.3137.6178.658.40000112.1W335 I344 T642 Y643 Y645 L657 L660 F672 L673W335-V655 HydrophobicContact CH2-CG1 4.42Å; W335-V655 HydrophobicContact CZ3-CG1 4.13Å; I344-V655 HydrophobicContact CD1-CB 3.95Å; I344-V655 HydrophobicContact CD1-CG1 4.3Å; I344-V655 HydrophobicContact CD1-CG2 3.96Å; T642-V655 VanDerWaalsContact OG1-C 3.3Å; T642-V655 PolarHBondContact OG1-N 3.17Å; T642-V655 PolarHBondContact OG1-O 3.01Å; Y643-V655 PolarHBondContact N-O 3.33Å; Y643-V655 PolarHBondContact O-N 3.43Å; Y645-V655 HydrophobicContact CD1-CB 4.25Å; Y645-V655 HydrophobicContact CD1-CG1 4.16Å; Y645-V655 HydrophobicContact CE1-CB 4.37Å; V655-L657 VanDerWaalsContact C-N 3.34Å; V655-L657 HydrophobicContact CG1-CD2 3.9Å; V655-L657 HydrophobicContact CG1-CG 3.96Å; V655-L657 HydrophobicContact CG2-CD2 4.07Å; V655-L657 PolarHBondContact O-N 2.86Å; V655-L657 VanDerWaalsContact O-N 3.1Å; V655-L660 HydrophobicContact CG2-CD1 3.37Å; V655-F672 WeakPolarHBondContact CA-O 3.29Å; V655-L673 HydrophobicContact CB-CD2 4.3Å; V655-L673 HydrophobicContact CG2-CD2 4.27Å
656L88.7Confident84.2Confident31 Ų3138.7 Ų38.716%0.16220%0.197CC..  trans-83.470.4177-64.6174.2000111.5D658 E659 L660 F672L656-D658 PolarHBondContact O-N 3.17Å; L656-E659 HydrophobicContact CB-CB 4.43Å; L656-E659 HydrophobicContact CB-CG 4.44Å; L656-E659 PolarHBondContact O-N 3.4Å; L656-E659 VanDerWaalsContact O-N 3.13Å; L656-L660 PolarHBondContact O-N 3.19Å; L656-L660 VanDerWaalsContact O-N 3.17Å; L656-F672 PolarHBondContact N-O 2.83Å
657L87.4Confident83.6Confident0 Ų042.2 Ų42.20%021%0.213CC..Hα-helixtrans-58.2-33.5-178.5-62.7176.4000113.5Y333 W335 Y346 Y643 V655 E659 L660 V661Y333-L657 HydrophobicContact CD2-CB 3.63Å; Y333-L657 HydrophobicContact CD2-CD1 4.05Å; Y333-L657 HydrophobicContact CD2-CG 4.5Å; Y333-L657 HydrophobicContact CE2-CB 3.89Å; Y333-L657 HydrophobicContact CG-CB 4.43Å; W335-L657 HydrophobicContact CB-CD1 4.16Å; W335-L657 HydrophobicContact CD2-CD1 3.68Å; W335-L657 HydrophobicContact CE3-CD1 4.41Å; W335-L657 HydrophobicContact CG-CD1 3.51Å; Y346-L657 HydrophobicContact CG-CD2 4.44Å; Y643-L657 HydrophobicContact CD1-CD1 4.09Å; Y643-L657 HydrophobicContact CD2-CB 3.65Å; Y643-L657 HydrophobicContact CD2-CD1 3.63Å; Y643-L657 HydrophobicContact CD2-CG 3.7Å; Y643-L657 HydrophobicContact CE1-CD1 4.47Å; Y643-L657 HydrophobicContact CE2-CB 3.72Å; Y643-L657 HydrophobicContact CE2-CD1 4.04Å; Y643-L657 HydrophobicContact CE2-CG 4.21Å; Y643-L657 HydrophobicContact CG-CD1 3.66Å; Y643-L657 HydrophobicContact CG-CG 4.13Å; V655-L657 VanDerWaalsContact C-N 3.34Å; V655-L657 HydrophobicContact CG1-CD2 3.9Å; V655-L657 HydrophobicContact CG1-CG 3.96Å; V655-L657 HydrophobicContact CG2-CD2 4.07Å; V655-L657 PolarHBondContact O-N 2.86Å; V655-L657 VanDerWaalsContact O-N 3.1Å; L657-E659 PolarHBondContact O-N 3.27Å; L657-L660 HydrophobicContact CD2-CD1 4.23Å; L657-L660 PolarHBondContact O-N 3.46Å; L657-V661 WeakPolarHBondContact O-CB 3.47Å; L657-V661 WeakPolarHBondContact O-CG2 3.44Å; L657-V661 PolarHBondContact O-N 3.21Å
658D80.2Confident83.1Confident5 Ų542.4 Ų42.43%0.02721%0.214CC..Hα-helixtrans-58.8-33.5178.6-63.6-48.5000112.8R330 Y333 L656 K662R330-D658 IonicContact CZ-OD2 3.23Å; R330-D658 IonicContact NH1-OD2 3.81Å; R330-D658 PolarHBondContact NH1-OD2 3.25Å; R330-D658 IonicContact NH2-OD2 3.86Å; Y333-D658 VanDerWaalsContact CE2-OD1 3.24Å; Y333-D658 WeakPolarHBondContact CE2-OD1 3.35Å; Y333-D658 PolarHBondContact OH-OD1 3.09Å; L656-D658 PolarHBondContact O-N 3.17Å; D658-K662 WeakPolarHBondContact O-CD 3.19Å; D658-K662 VanDerWaalsContact O-CG 3.29Å; D658-K662 WeakPolarHBondContact O-CG 3.33Å
659E79.1Confident82.8Confident37 Ų3741.4 Ų41.417%0.17321%0.212CC..Hα-helixtrans-86.8-37.5178.9-63.2-65.9128.900111.3K52 G53 L656 L657 V661 K662 T663 F672K52-E659 HydrophobicContact CB-CG 4.31Å; G53-E659 WeakPolarHBondContact CA-OE1 3.43Å; G53-E659 PolarHBondContact N-OE1 3.01Å; G53-E659 VanDerWaalsContact N-OE1 3.12Å; L656-E659 HydrophobicContact CB-CB 4.43Å; L656-E659 HydrophobicContact CB-CG 4.44Å; L656-E659 PolarHBondContact O-N 3.4Å; L656-E659 VanDerWaalsContact O-N 3.13Å; L657-E659 PolarHBondContact O-N 3.27Å; E659-V661 PolarHBondContact O-N 3.05Å; E659-K662 PolarHBondContact O-N 2.56Å; E659-T663 PolarHBondContact O-N 2.8Å; E659-T663 PolarHBondContact O-OG1 3.26Å; E659-F672 HydrophobicContact CB-CD1 3.94Å; E659-F672 HydrophobicContact CB-CE1 3.82Å
660L82.7Confident82.6Confident4 Ų445 Ų452%0.02123%0.227CC..Hα-helixtrans-61.4-42.6176.3-75.8173.2000112.1Y346 W361 V655 L656 L657 K662 T663 P668 F672Y346-L660 HydrophobicContact CE2-CB 4.33Å; W361-L660 HydrophobicContact CZ3-CD1 4.17Å; V655-L660 HydrophobicContact CG2-CD1 3.37Å; L656-L660 PolarHBondContact O-N 3.19Å; L656-L660 VanDerWaalsContact O-N 3.17Å; L657-L660 HydrophobicContact CD2-CD1 4.23Å; L657-L660 PolarHBondContact O-N 3.46Å; L660-K662 VanDerWaalsContact C-N 3.35Å; L660-K662 PolarHBondContact O-N 3.25Å; L660-T663 PolarHBondContact O-N 3.04Å; L660-T663 PolarHBondContact O-OG1 2.8Å; L660-T663 VanDerWaalsContact O-OG1 3.14Å; L660-P668 HydrophobicContact CD2-CB 3.74Å; L660-F672 HydrophobicContact CD1-CB 4.2Å; L660-F672 HydrophobicContact CD2-CB 3.85Å; L660-F672 HydrophobicContact CD2-CD1 3.99Å; L660-F672 HydrophobicContact CD2-CD2 3.32Å; L660-F672 HydrophobicContact CD2-CE1 4.37Å; L660-F672 HydrophobicContact CD2-CE2 3.77Å; L660-F672 HydrophobicContact CD2-CG 3.44Å; L660-F672 VanDerWaalsContact CD2-CG 3.44Å; L660-F672 HydrophobicContact CD2-CZ 4.27Å; L660-F672 HydrophobicContact CG-CB 3.92Å; L660-F672 HydrophobicContact CG-CD1 4.07Å; L660-F672 HydrophobicContact CG-CD2 4.22Å; L660-F672 HydrophobicContact CG-CG 3.82Å
661V80.5Confident82.4Confident29 Ų2951.6 Ų51.618%0.17626%0.258CS..Hα-helixtrans-71.6-30.2-178.5171.80000112.2Y333 Y346 L657 E659 V664Y333-V661 HydrophobicContact CD1-CG2 3.87Å; Y333-V661 HydrophobicContact CE1-CB 3.95Å; Y333-V661 HydrophobicContact CE1-CG1 3.83Å; Y333-V661 HydrophobicContact CE1-CG2 3.7Å; Y333-V661 HydrophobicContact CG-CG2 4.45Å; Y346-V661 HydrophobicContact CD2-CG2 4.41Å; L657-V661 WeakPolarHBondContact O-CB 3.47Å; L657-V661 WeakPolarHBondContact O-CG2 3.44Å; L657-V661 PolarHBondContact O-N 3.21Å; E659-V661 PolarHBondContact O-N 3.05Å; V661-V664 WeakPolarHBondContact O-CG2 3.48Å
662K73.3Confident82.1Confident124 Ų12451 Ų5154%0.53926%0.255SS..Hα-helixtrans-72.5-29.6175-73.3178.4-178.3-1720113D658 E659 L660 V664D658-K662 WeakPolarHBondContact O-CD 3.19Å; D658-K662 VanDerWaalsContact O-CG 3.29Å; D658-K662 WeakPolarHBondContact O-CG 3.33Å; E659-K662 PolarHBondContact O-N 2.56Å; L660-K662 VanDerWaalsContact C-N 3.35Å; L660-K662 PolarHBondContact O-N 3.25Å; K662-V664 VanDerWaalsContact C-N 3.27Å; K662-V664 PolarHBondContact O-N 2.97Å; K662-V664 VanDerWaalsContact O-N 3.12Å
663T71Confident81.9Confident39 Ų3952.2 Ų52.224%0.23926%0.261CS..SBendtrans-89.157.4-176.347.30000111.9E659 L660 N665 I666E659-T663 PolarHBondContact O-N 2.8Å; E659-T663 PolarHBondContact O-OG1 3.26Å; L660-T663 PolarHBondContact O-N 3.04Å; L660-T663 PolarHBondContact O-OG1 2.8Å; L660-T663 VanDerWaalsContact O-OG1 3.14Å; T663-N665 PolarHBondContact O-N 3.47Å; T663-I666 HydrophobicContact CG2-CD1 4.1Å; T663-I666 PolarHBondContact O-N 3Å
664V66.2Low81.6Confident54 Ų5453.1 Ų53.133%0.32727%0.267SS..THydrogen-bonded Turntrans-60.7127.6177.3-174.70000109.7Y348 V661 K662Y348-V664 HydrophobicContact CD2-CG1 4.32Å; Y348-V664 HydrophobicContact CD2-CG2 4.05Å; Y348-V664 HydrophobicContact CE2-CG1 3.66Å; Y348-V664 HydrophobicContact CE2-CG2 4.22Å; V661-V664 WeakPolarHBondContact O-CG2 3.48Å; K662-V664 VanDerWaalsContact C-N 3.27Å; K662-V664 PolarHBondContact O-N 2.97Å; K662-V664 VanDerWaalsContact O-N 3.12Å
665N65.6Low81.5Confident142 Ų14258.7 Ų58.776%0.75929%0.291SS*.THydrogen-bonded Turntrans798.8-178.1-49.7-43000117.7T663T663-N665 PolarHBondContact O-N 3.47Å
666I73.7Confident81.5Confident107 Ų10759.4 Ų59.455%0.54930%0.295SS..SBendtrans-99.8135.9173.3-57.2-179.7000109.3T663 P668T663-I666 HydrophobicContact CG2-CD1 4.1Å; T663-I666 PolarHBondContact O-N 3Å; I666-P668 WeakPolarHBondContact O-CD 3.11Å
667Q80.1Confident81.6Confident97 Ų9759.4 Ų59.445%0.45330%0.297SS..PPolyproline II helixtrans-63.1121.6172.9-171.371.6-1.100108.6N366 T368N366-Q667 PolarHBondContact O-NE2 2.78Å; T368-Q667 VanDerWaalsContact OG1-CD 3.29Å; T368-Q667 PolarHBondContact OG1-NE2 3.17Å; T368-Q667 PolarHBondContact OG1-OE1 3.48Å
668P83.2Confident81.8Confident4 Ų459.6 Ų59.63%0.02630%0.298CS..PPolyproline II helixtrans-60.7144.2176.627.6-35.2000110W361 N366 T368 L660 I666 F672W361-P668 HydrophobicContact CB-CG 4.25Å; W361-P668 HydrophobicContact CD2-CB 3.75Å; W361-P668 HydrophobicContact CD2-CG 3.65Å; W361-P668 HydrophobicContact CE3-CB 3.97Å; W361-P668 HydrophobicContact CE3-CG 4.28Å; W361-P668 HydrophobicContact CG-CB 4.27Å; W361-P668 HydrophobicContact CG-CG 3.62Å; W361-P668 HydrophobicContact CH2-CB 4.1Å; W361-P668 HydrophobicContact CZ2-CB 3.9Å; W361-P668 HydrophobicContact CZ2-CG 4.43Å; W361-P668 HydrophobicContact CZ3-CB 4.14Å; N366-P668 PolarHBondContact OD1-O 3.36Å; T368-P668 HydrophobicContact CG2-CG 3.46Å; T368-P668 VanDerWaalsContact CG2-CG 3.46Å; L660-P668 HydrophobicContact CD2-CB 3.74Å; I666-P668 WeakPolarHBondContact O-CD 3.11Å; P668-F672 HydrophobicContact CB-CD2 4.41Å
669N84.4Confident82.3Confident52 Ų5264.2 Ų64.228%0.27832%0.318SS..  trans-125.1172.6-179.167.94.2000110.3W361 E671 F672W361-N669 WeakPolarHBondContact CH2-O 3.44Å; W361-N669 WeakPolarHBondContact CZ2-O 3.22Å; N669-E671 PolarHBondContact ND2-OE2 2.77Å; N669-E671 PolarHBondContact O-N 2.82Å; N669-E671 VanDerWaalsContact O-N 3.13Å; N669-E671 WeakPolarHBondContact OD1-CB 3.44Å; N669-E671 PolarHBondContact OD1-N 3.14Å; N669-F672 WeakPolarHBondContact O-CD2 3.18Å; N669-F672 PolarHBondContact O-N 2.82Å; N669-F672 WeakPolarHBondContact OD1-CD2 3.45Å; N669-F672 WeakPolarHBondContact OD1-CE2 3.48Å
670E84.8Confident82.7Confident138 Ų13865 Ų6565%0.64532%0.32SS*.G310 helixtrans-65.1-14.2179.7-63.6-166.5149.200113.9F672 L673E670-F672 PolarHBondContact O-N 3.49Å; E670-L673 WeakPolarHBondContact O-CB 3.45Å; E670-L673 PolarHBondContact O-N 3.48Å
671E84.9Confident83Confident145 Ų14564.9 Ų64.968%0.67832%0.32SS*.G310 helixtrans-66.5-22.7179.4-56.3-178.7150.900112.8N669 L673N669-E671 PolarHBondContact ND2-OE2 2.77Å; N669-E671 PolarHBondContact O-N 2.82Å; N669-E671 VanDerWaalsContact O-N 3.13Å; N669-E671 WeakPolarHBondContact OD1-CB 3.44Å; N669-E671 PolarHBondContact OD1-N 3.14Å; E671-L673 VanDerWaalsContact C-N 3.26Å
672F85.7Confident83.4Confident27 Ų2767.6 Ų67.612%0.11833%0.327CS..G310 helixtrans-80.3-7.2175-58.3-67.6000113.4W361 V655 L656 E659 L660 P668 N669 E670W361-F672 HydrophobicContact CH2-CB 4.47Å; V655-F672 WeakPolarHBondContact CA-O 3.29Å; L656-F672 PolarHBondContact N-O 2.83Å; E659-F672 HydrophobicContact CB-CD1 3.94Å; E659-F672 HydrophobicContact CB-CE1 3.82Å; L660-F672 HydrophobicContact CD1-CB 4.2Å; L660-F672 HydrophobicContact CD2-CB 3.85Å; L660-F672 HydrophobicContact CD2-CD1 3.99Å; L660-F672 HydrophobicContact CD2-CD2 3.32Å; L660-F672 HydrophobicContact CD2-CE1 4.37Å; L660-F672 HydrophobicContact CD2-CE2 3.77Å; L660-F672 HydrophobicContact CD2-CG 3.44Å; L660-F672 VanDerWaalsContact CD2-CG 3.44Å; L660-F672 HydrophobicContact CD2-CZ 4.27Å; L660-F672 HydrophobicContact CG-CB 3.92Å; L660-F672 HydrophobicContact CG-CD1 4.07Å; L660-F672 HydrophobicContact CG-CD2 4.22Å; L660-F672 HydrophobicContact CG-CG 3.82Å; P668-F672 HydrophobicContact CB-CD2 4.41Å; N669-F672 WeakPolarHBondContact O-CD2 3.18Å; N669-F672 PolarHBondContact O-N 2.82Å; N669-F672 WeakPolarHBondContact OD1-CD2 3.45Å; N669-F672 WeakPolarHBondContact OD1-CE2 3.48Å; E670-F672 PolarHBondContact O-N 3.49Å
673L89.2Confident84.2Confident27 Ų2764.2 Ų64.214%0.14132%0.315CS..EExtended strand (participates in β ladder)trans-98.9134.2179-56.8175.5000110.3I344 W361 L363 Y645 V655 E670 E671I344-L673 HydrophobicContact CD1-CD2 3.71Å; W361-L673 HydrophobicContact CH2-CD1 4.02Å; W361-L673 HydrophobicContact CH2-CD2 3.75Å; W361-L673 HydrophobicContact CH2-CG 3.72Å; W361-L673 HydrophobicContact CZ2-CD1 4.4Å; W361-L673 HydrophobicContact CZ3-CD2 3.79Å; W361-L673 HydrophobicContact CZ3-CG 4.28Å; L363-L673 HydrophobicContact CD1-CD1 4.26Å; L363-L673 HydrophobicContact CD1-CD2 4.47Å; L363-L673 HydrophobicContact CD2-CD1 3.91Å; L363-L673 HydrophobicContact CD2-CD2 4.2Å; Y645-L673 HydrophobicContact CE1-CD2 4.37Å; V655-L673 HydrophobicContact CB-CD2 4.3Å; V655-L673 HydrophobicContact CG2-CD2 4.27Å; E670-L673 WeakPolarHBondContact O-CB 3.45Å; E670-L673 PolarHBondContact O-N 3.48Å; E671-L673 VanDerWaalsContact C-N 3.26Å
674L89.3Confident85.2Confident53 Ų5362.4 Ų62.428%0.27730%0.303SS..EExtended strand (participates in β ladder)trans-111.9121.4172.4-171.971.2000109.3T640 T642 Q653 G654T640-L674 HydrophobicContact CG2-CD2 3.96Å; T640-L674 WeakPolarHBondContact OG1-CD2 3.3Å; T642-L674 HydrophobicContact CG2-CD2 3.89Å; Q653-L674 WeakPolarHBondContact CA-O 3.3Å; G654-L674 PolarHBondContact N-O 2.96Å; G654-L674 PolarHBondContact O-N 3.38Å
675K90.7Very high86.3Confident118 Ų11864.7 Ų64.751%0.51331%0.309SS..EExtended strand (participates in β ladder)trans-112.5114.4172.6-67-178.2-177.21700108.9E651 Q653E651-K675 WeakPolarHBondContact OE1-CB 3.24Å; Q653-K675 HydrophobicContact CG-CG 4.45Å
676T91.1Very high87.5Confident14 Ų1462.9 Ų62.99%0.08630%0.296CS..EExtended strand (participates in β ladder)trans-119.5107.1-174.3-52.20000110.8M626 I628 I638 E651 V652M626-T676 HydrophobicContact CE-CG2 3.6Å; I628-T676 HydrophobicContact CD1-CG2 4.42Å; I638-T676 HydrophobicContact CD1-CG2 3.34Å; E651-T676 WeakPolarHBondContact CA-O 3.27Å; V652-T676 PolarHBondContact N-O 2.83Å; V652-T676 PolarHBondContact O-N 3.46Å
677P91.1Very high88.3Confident32 Ų3259.3 Ų59.321%0.20828%0.278CS..EExtended strand (participates in β ladder)trans-70.9138.8173.228.2-33.2000111.7V681 R682P677-V681 HydrophobicContact CB-CB 3.94Å; P677-V681 HydrophobicContact CB-CG1 3.82Å; P677-R682 HydrophobicContact CB-CG 4.46Å; P677-R682 HydrophobicContact CG-CG 4.08Å; P677-R682 PolarHBondContact O-NE 2.81Å
678I91.1Very high88.7Confident3 Ų356.2 Ų56.22%0.01526%0.264CS..  trans-59.5156.2172.1-60.3179.6000110.1I617 I628 E635 F647 L650 K680 V681 R682I617-I678 HydrophobicContact CG2-CD1 3.93Å; I628-I678 HydrophobicContact CG2-CG1 4.21Å; E635-I678 WeakPolarHBondContact OE1-CG2 3.48Å; F647-I678 HydrophobicContact CE2-CD1 3.55Å; F647-I678 HydrophobicContact CE2-CG1 3.88Å; F647-I678 HydrophobicContact CZ-CD1 3.45Å; F647-I678 VanDerWaalsContact CZ-CD1 3.45Å; F647-I678 HydrophobicContact CZ-CG1 3.85Å; L650-I678 HydrophobicContact CB-CD1 4Å; L650-I678 HydrophobicContact CB-CG1 4.41Å; L650-I678 HydrophobicContact CD2-CD1 3.95Å; L650-I678 WeakPolarHBondContact O-CG1 3.31Å; L650-I678 PolarHBondContact O-N 3Å; I678-K680 PolarHBondContact O-N 2.84Å; I678-V681 PolarHBondContact O-N 3.01Å; I678-R682 PolarHBondContact O-N 2.85Å
679K90Very high88.8Confident103 Ų10363.7 Ų63.745%0.44830%0.299SS..Hα-helixtrans-47-42.3174.7-175.4-177.1173.4-170.60113.5E635 V681 R682 D683E635-K679 HydrophobicContact CG-CB 4.22Å; E635-K679 WeakPolarHBondContact OE1-CB 3.24Å; E635-K679 PolarHBondContact OE1-N 2.86Å; E635-K679 WeakPolarHBondContact OE2-CB 3.38Å; E635-K679 PolarHBondContact OE2-N 3.13Å; K679-V681 VanDerWaalsContact C-N 3.26Å; K679-V681 PolarHBondContact O-N 3.38Å; K679-R682 CarbonylContact O-C 3.6Å; K679-R682 WeakPolarHBondContact O-CA 3.38Å; K679-R682 WeakPolarHBondContact O-CB 3.43Å; K679-R682 PolarHBondContact O-N 3.46Å; K679-D683 VanDerWaalsContact CE-OD2 3.25Å; K679-D683 WeakPolarHBondContact CE-OD2 3.41Å; K679-D683 WeakPolarHBondContact CG-OD2 3.49Å; K679-D683 WeakPolarHBondContact O-CB 3.29Å; K679-D683 PolarHBondContact O-N 3.09Å
680K88.2Confident89Confident52 Ų5269.1 Ų69.123%0.22632%0.32CS..Hα-helixtrans-54.2-40.4178.1-69.2-179.9-175.7165.30113.1D630 I678 F684D630-K680 VanDerWaalsContact OD2-CE 3.3Å; D630-K680 WeakPolarHBondContact OD2-CE 3.46Å; D630-K680 IonicContact OD2-NZ 2.67Å; D630-K680 PolarHBondContact OD2-NZ 2.59Å; I678-K680 PolarHBondContact O-N 2.84Å; K680-F684 VanDerWaalsContact O-CB 3.23Å; K680-F684 WeakPolarHBondContact O-CB 3.37Å; K680-F684 PolarHBondContact O-N 3.18Å
681V89.7Confident89Confident2 Ų266.3 Ų66.31%0.01231%0.309CS..Hα-helixtrans-73.3-37.6177.3176.20000111L650 P677 I678 K679 K685 L708 L711L650-V681 HydrophobicContact CB-CG2 3.58Å; L650-V681 HydrophobicContact CD1-CG2 3.87Å; L650-V681 HydrophobicContact CG-CG2 4.41Å; P677-V681 HydrophobicContact CB-CB 3.94Å; P677-V681 HydrophobicContact CB-CG1 3.82Å; I678-V681 PolarHBondContact O-N 3.01Å; K679-V681 VanDerWaalsContact C-N 3.26Å; K679-V681 PolarHBondContact O-N 3.38Å; V681-K685 WeakPolarHBondContact O-CG 3.37Å; V681-K685 PolarHBondContact O-N 3.19Å; V681-L708 HydrophobicContact CG2-CD2 4.04Å; V681-L711 HydrophobicContact CG1-CD1 3.94Å
682R89.1Confident89Confident86 Ų8660.4 Ų60.433%0.32529%0.287SS..Hα-helixtrans-65.4-46.2177-66.3-176.3-82.4163.9-4.7111.6E635 P677 I678 K679 K685 Q686E635-R682 IonicContact OE2-CZ 3.87Å; E635-R682 IonicContact OE2-NH2 2.74Å; E635-R682 PolarHBondContact OE2-NH2 3.34Å; P677-R682 HydrophobicContact CB-CG 4.46Å; P677-R682 HydrophobicContact CG-CG 4.08Å; P677-R682 PolarHBondContact O-NE 2.81Å; I678-R682 PolarHBondContact O-N 2.85Å; K679-R682 CarbonylContact O-C 3.6Å; K679-R682 WeakPolarHBondContact O-CA 3.38Å; K679-R682 WeakPolarHBondContact O-CB 3.43Å; K679-R682 PolarHBondContact O-N 3.46Å; R682-K685 PolarHBondContact O-N 2.89Å; R682-Q686 WeakPolarHBondContact O-CG 3.37Å; R682-Q686 PolarHBondContact O-N 3.38Å
683D89.8Confident89.2Confident53 Ų5360.3 Ų60.328%0.28329%0.288SS..Hα-helixtrans-63.2-45.1176.6-67-5.6000110K679 K685 Q686 I687 F699K679-D683 VanDerWaalsContact CE-OD2 3.25Å; K679-D683 WeakPolarHBondContact CE-OD2 3.41Å; K679-D683 WeakPolarHBondContact CG-OD2 3.49Å; K679-D683 WeakPolarHBondContact O-CB 3.29Å; K679-D683 PolarHBondContact O-N 3.09Å; D683-K685 PolarHBondContact O-N 3.07Å; D683-Q686 PolarHBondContact O-N 3.41Å; D683-Q686 VanDerWaalsContact O-N 3.16Å; D683-I687 VanDerWaalsContact O-CG1 3.3Å; D683-I687 WeakPolarHBondContact O-CG1 3.41Å; D683-I687 PolarHBondContact O-N 3.17Å; D683-F699 HydrophobicContact CB-CZ 4.49Å
684F91.6Very high89.1Confident1 Ų166.7 Ų66.70%0.00432%0.317CS..Hα-helixtrans-57.9-46.1175.3180-103000112.8K680 Q686 I687 L688 A696 F699 I700 L708 L711 F712K680-F684 VanDerWaalsContact O-CB 3.23Å; K680-F684 WeakPolarHBondContact O-CB 3.37Å; K680-F684 PolarHBondContact O-N 3.18Å; F684-Q686 VanDerWaalsContact C-N 3.33Å; F684-Q686 PolarHBondContact O-N 3.31Å; F684-I687 PolarHBondContact O-N 3.48Å; F684-L688 HydrophobicContact CE1-CD1 3.8Å; F684-L688 HydrophobicContact CZ-CD1 3.72Å; F684-L688 WeakPolarHBondContact O-CB 3.39Å; F684-L688 PolarHBondContact O-N 3.33Å; F684-A696 HydrophobicContact CE2-CB 3.87Å; F684-A696 HydrophobicContact CZ-CB 4.37Å; F684-F699 HydrophobicContact CB-CD1 4.16Å; F684-F699 HydrophobicContact CB-CE1 3.9Å; F684-F699 AromaticContact CD2-CD1 3.64Å; F684-F699 HydrophobicContact CD2-CD1 3.64Å; F684-F699 HydrophobicContact CD2-CE1 4.23Å; F684-F699 HydrophobicContact CD2-CG 4.37Å; F684-F699 HydrophobicContact CG-CD1 4.35Å; F684-I700 HydrophobicContact CD2-CG1 4.39Å; F684-I700 HydrophobicContact CE2-CD1 3.7Å; F684-I700 HydrophobicContact CE2-CG1 3.66Å; F684-I700 HydrophobicContact CZ-CD1 3.88Å; F684-I700 HydrophobicContact CZ-CG1 4.25Å; F684-L708 HydrophobicContact CB-CD2 3.88Å; F684-L708 HydrophobicContact CD1-CD2 3.96Å; F684-L708 HydrophobicContact CG-CD2 3.86Å; F684-L711 HydrophobicContact CD1-CB 4.25Å; F684-L711 HydrophobicContact CD1-CD1 4.28Å; F684-L711 HydrophobicContact CE1-CB 3.68Å; F684-F712 HydrophobicContact CE2-CD2 4.37Å; F684-F712 HydrophobicContact CZ-CB 3.87Å; F684-F712 AromaticContact CZ-CD2 3.97Å; F684-F712 HydrophobicContact CZ-CD2 3.97Å; F684-F712 HydrophobicContact CZ-CG 4.43Å
685K89.7Confident89Confident103 Ų10369 Ų6945%0.44833%0.325SS..Hα-helixtrans-60.8-40.9175.5-75.7-176.5177.5-172.40112.1V681 R682 D683 L688 E689V681-K685 WeakPolarHBondContact O-CG 3.37Å; V681-K685 PolarHBondContact O-N 3.19Å; R682-K685 PolarHBondContact O-N 2.89Å; D683-K685 PolarHBondContact O-N 3.07Å; K685-L688 PolarHBondContact O-N 3.03Å; K685-E689 WeakPolarHBondContact O-CG 3.36Å; K685-E689 PolarHBondContact O-N 2.95Å
686Q90.5Very high89Confident104 Ų10463.4 Ų63.449%0.48630%0.301SS..Hα-helixtrans-65-41.5176.3-73-177.612.900112.8R682 D683 F684 L688 E689 K690R682-Q686 WeakPolarHBondContact O-CG 3.37Å; R682-Q686 PolarHBondContact O-N 3.38Å; D683-Q686 PolarHBondContact O-N 3.41Å; D683-Q686 VanDerWaalsContact O-N 3.16Å; F684-Q686 VanDerWaalsContact C-N 3.33Å; F684-Q686 PolarHBondContact O-N 3.31Å; Q686-L688 VanDerWaalsContact C-N 3.3Å; Q686-E689 PolarHBondContact O-N 3.42Å; Q686-K690 WeakPolarHBondContact O-CB 3.4Å; Q686-K690 PolarHBondContact O-N 3.35Å
687I90.9Very high88.9Confident31 Ų3163.8 Ų63.816%0.15930%0.304CS..Hα-helixtrans-61.6-43.5174.9-67.3165.2000109.6D683 F684 E689 K690 D691 G692 K695 A696 F699D683-I687 VanDerWaalsContact O-CG1 3.3Å; D683-I687 WeakPolarHBondContact O-CG1 3.41Å; D683-I687 PolarHBondContact O-N 3.17Å; F684-I687 PolarHBondContact O-N 3.48Å; I687-E689 VanDerWaalsContact C-N 3.32Å; I687-E689 PolarHBondContact O-N 3.37Å; I687-K690 PolarHBondContact O-N 3Å; I687-D691 HydrophobicContact CG2-CB 4.09Å; I687-D691 WeakPolarHBondContact O-CA 3.23Å; I687-D691 WeakPolarHBondContact O-CB 3.4Å; I687-D691 PolarHBondContact O-N 2.89Å; I687-G692 PolarHBondContact O-N 3.25Å; I687-K695 HydrophobicContact CG2-CB 3.96Å; I687-A696 HydrophobicContact CG2-CB 4.16Å; I687-F699 HydrophobicContact CD1-CB 4.28Å; I687-F699 HydrophobicContact CD1-CD2 3.51Å; I687-F699 HydrophobicContact CD1-CE2 3.97Å; I687-F699 HydrophobicContact CD1-CG 3.96Å
688L87.5Confident88.8Confident33 Ų3368.2 Ų68.217%0.17332%0.321CS..Hα-helixtrans-64.4-35.5-178.9-163.6128.4000112.9F684 K685 Q686 A696 F712 A715F684-L688 HydrophobicContact CE1-CD1 3.8Å; F684-L688 HydrophobicContact CZ-CD1 3.72Å; F684-L688 WeakPolarHBondContact O-CB 3.39Å; F684-L688 PolarHBondContact O-N 3.33Å; K685-L688 PolarHBondContact O-N 3.03Å; Q686-L688 VanDerWaalsContact C-N 3.3Å; L688-A696 HydrophobicContact CD1-CB 4.4Å; L688-F712 HydrophobicContact CD1-CD2 4.5Å; L688-A715 HydrophobicContact CD1-CB 3.53Å; L688-A715 HydrophobicContact CD2-CB 3.53Å; L688-A715 HydrophobicContact CG-CB 3.92Å
689E85.9Confident88.7Confident161 Ų16169.7 Ų69.775%0.75233%0.328SS*.Hα-helixtrans-75.6-43.1174.8-74.9176.9-17700113.3K685 Q686 I687K685-E689 WeakPolarHBondContact O-CG 3.36Å; K685-E689 PolarHBondContact O-N 2.95Å; Q686-E689 PolarHBondContact O-N 3.42Å; I687-E689 VanDerWaalsContact C-N 3.32Å; I687-E689 PolarHBondContact O-N 3.37Å
690K88.1Confident88.7Confident166 Ų16664.8 Ų64.872%0.72231%0.307SS*.Hα-helixtrans-95.3-42.3-170.5-69.2-176.1177.2177.50114.9Q686 I687Q686-K690 WeakPolarHBondContact O-CB 3.4Å; Q686-K690 PolarHBondContact O-N 3.35Å; I687-K690 PolarHBondContact O-N 3Å
691D84.6Confident88.6Confident79 Ų7967 Ų6742%0.42232%0.321SS..THydrogen-bonded Turntrans-104.5-15.4-167.3-70.8-57000113.8I687 K695I687-D691 HydrophobicContact CG2-CB 4.09Å; I687-D691 WeakPolarHBondContact O-CA 3.23Å; I687-D691 WeakPolarHBondContact O-CB 3.4Å; I687-D691 PolarHBondContact O-N 2.89Å; D691-K695 HydrophobicContact CB-CB 4.01Å; D691-K695 HydrophobicContact CB-CD 3.68Å; D691-K695 HydrophobicContact CB-CG 4.07Å; D691-K695 IonicContact OD1-NZ 2.66Å; D691-K695 PolarHBondContact OD1-NZ 2.88Å
692G85.8Confident88.5Confident21 Ų2173 Ų7322%0.21635%0.353CS..  trans89.8-176.4176.600000114.9I687 E694 A696I687-G692 PolarHBondContact O-N 3.25Å; G692-E694 PolarHBondContact O-N 3.37Å; G692-A696 WeakPolarHBondContact O-CB 3.44Å; G692-A696 PolarHBondContact O-N 2.83Å
693L89.1Confident88.3Confident24 Ų2471 Ų7113%0.12635%0.349CS..Hα-helixtrans-71-27.2-169.5-66.7174.9000113.7S697 F712 A715 K719 N721L693-S697 PolarHBondContact O-N 3.07Å; L693-F712 HydrophobicContact CB-CE2 4.48Å; L693-F712 HydrophobicContact CD2-CE2 4.26Å; L693-F712 VanDerWaalsContact O-CE2 3.28Å; L693-F712 WeakPolarHBondContact O-CE2 3.36Å; L693-A715 HydrophobicContact CD2-CB 4.15Å; L693-K719 HydrophobicContact CD1-CD 3.98Å; L693-K719 HydrophobicContact CD2-CD 4.47Å; L693-K719 HydrophobicContact CG-CD 4.17Å; L693-N721 HydrophobicContact CD1-CB 4.24Å
694E86.9Confident88Confident161 Ų16172.9 Ų72.975%0.75236%0.364SS*.Hα-helixtrans-69.9-53.5-176.7-67.9173.9178.300111.6G692 A696 S697 E698G692-E694 PolarHBondContact O-N 3.37Å; E694-A696 VanDerWaalsContact C-N 3.27Å; E694-A696 PolarHBondContact O-N 3.16Å; E694-S697 WeakPolarHBondContact O-CA 3.34Å; E694-S697 VanDerWaalsContact O-CB 3.27Å; E694-S697 WeakPolarHBondContact O-CB 3.24Å; E694-S697 PolarHBondContact O-N 2.84Å; E694-E698 PolarHBondContact O-N 2.98Å; E694-E698 VanDerWaalsContact O-N 3.15Å
695K88.6Confident87.8Confident103 Ų10374.6 Ų74.645%0.44837%0.372SS..Hα-helixtrans-63.4-34175.5-61.5-155.9-156.6160.70112.6I687 D691 S697 E698 F699I687-K695 HydrophobicContact CG2-CB 3.96Å; D691-K695 HydrophobicContact CB-CB 4.01Å; D691-K695 HydrophobicContact CB-CD 3.68Å; D691-K695 HydrophobicContact CB-CG 4.07Å; D691-K695 IonicContact OD1-NZ 2.66Å; D691-K695 PolarHBondContact OD1-NZ 2.88Å; K695-S697 VanDerWaalsContact C-N 3.26Å; K695-S697 PolarHBondContact O-N 3.24Å; K695-E698 PolarHBondContact O-N 3.4Å; K695-F699 PolarHBondContact O-N 3.41Å
696A89.4Confident87.6Confident0 Ų072.9 Ų72.90%037%0.37CS..Hα-helixtrans-63.1-34.2173.700000111.7F684 I687 L688 G692 E694 F699 I700 F712F684-A696 HydrophobicContact CE2-CB 3.87Å; F684-A696 HydrophobicContact CZ-CB 4.37Å; I687-A696 HydrophobicContact CG2-CB 4.16Å; L688-A696 HydrophobicContact CD1-CB 4.4Å; G692-A696 WeakPolarHBondContact O-CB 3.44Å; G692-A696 PolarHBondContact O-N 2.83Å; E694-A696 VanDerWaalsContact C-N 3.27Å; E694-A696 PolarHBondContact O-N 3.16Å; A696-F699 PolarHBondContact O-N 3.3Å; A696-I700 WeakPolarHBondContact O-CG1 3.39Å; A696-I700 PolarHBondContact O-N 2.91Å; A696-F712 HydrophobicContact CB-CD2 3.94Å; A696-F712 HydrophobicContact CB-CE2 3.78Å
697S88.4Confident87.3Confident22 Ų2269.7 Ų69.715%0.15436%0.355CS..Hα-helixtrans-67.8-40.4173.5-171.10000112.4L693 E694 K695 F699 I700 N701L693-S697 PolarHBondContact O-N 3.07Å; E694-S697 WeakPolarHBondContact O-CA 3.34Å; E694-S697 VanDerWaalsContact O-CB 3.27Å; E694-S697 WeakPolarHBondContact O-CB 3.24Å; E694-S697 PolarHBondContact O-N 2.84Å; K695-S697 VanDerWaalsContact C-N 3.26Å; K695-S697 PolarHBondContact O-N 3.24Å; S697-F699 VanDerWaalsContact C-N 3.34Å; S697-I700 PolarHBondContact O-N 3.18Å; S697-N701 PolarHBondContact O-N 3.13Å; S697-N701 PolarHBondContact O-ND2 3.25Å
698E89.3Confident87.3Confident124 Ų12468.2 Ų68.258%0.57935%0.347SS*.Hα-helixtrans-60-46.1174.2-66.1175.8170.400110.6E694 K695 I700 N701 D702E694-E698 PolarHBondContact O-N 2.98Å; E694-E698 VanDerWaalsContact O-N 3.15Å; K695-E698 PolarHBondContact O-N 3.4Å; E698-I700 VanDerWaalsContact C-N 3.32Å; E698-I700 PolarHBondContact O-N 3.42Å; E698-N701 WeakPolarHBondContact O-CB 3.46Å; E698-N701 PolarHBondContact O-N 2.67Å; E698-N701 VanDerWaalsContact O-N 3.09Å; E698-D702 PolarHBondContact O-N 3.29Å; E698-D702 VanDerWaalsContact O-N 3.09Å
699F90.3Very high87.4Confident35 Ų3568.2 Ų68.215%0.15435%0.345CS..Hα-helixtrans-60.2-37.7178.7-171.4-88.4000113.6D683 F684 I687 K695 A696 S697 D702 N703 L708D683-F699 HydrophobicContact CB-CZ 4.49Å; F684-F699 HydrophobicContact CB-CD1 4.16Å; F684-F699 HydrophobicContact CB-CE1 3.9Å; F684-F699 AromaticContact CD2-CD1 3.64Å; F684-F699 HydrophobicContact CD2-CD1 3.64Å; F684-F699 HydrophobicContact CD2-CE1 4.23Å; F684-F699 HydrophobicContact CD2-CG 4.37Å; F684-F699 HydrophobicContact CG-CD1 4.35Å; I687-F699 HydrophobicContact CD1-CB 4.28Å; I687-F699 HydrophobicContact CD1-CD2 3.51Å; I687-F699 HydrophobicContact CD1-CE2 3.97Å; I687-F699 HydrophobicContact CD1-CG 3.96Å; K695-F699 PolarHBondContact O-N 3.41Å; A696-F699 PolarHBondContact O-N 3.3Å; S697-F699 VanDerWaalsContact C-N 3.34Å; F699-D702 PolarHBondContact O-N 3.24Å; F699-N703 HydrophobicContact CE1-CB 4.32Å; F699-N703 WeakPolarHBondContact O-CB 3.43Å; F699-N703 PolarHBondContact O-N 2.9Å; F699-N703 PolarHBondContact O-ND2 2.82Å; F699-L708 HydrophobicContact CE1-CD1 4.2Å
700I89.1Confident87.5Confident0 Ų063.5 Ų63.50%032%0.323CS..Hα-helixtrans-68.8-35.5176.7-69.9165.2000111.6F684 A696 S697 E698 D702 N703 P704 L708 R709 F712F684-I700 HydrophobicContact CD2-CG1 4.39Å; F684-I700 HydrophobicContact CE2-CD1 3.7Å; F684-I700 HydrophobicContact CE2-CG1 3.66Å; F684-I700 HydrophobicContact CZ-CD1 3.88Å; F684-I700 HydrophobicContact CZ-CG1 4.25Å; A696-I700 WeakPolarHBondContact O-CG1 3.39Å; A696-I700 PolarHBondContact O-N 2.91Å; S697-I700 PolarHBondContact O-N 3.18Å; E698-I700 VanDerWaalsContact C-N 3.32Å; E698-I700 PolarHBondContact O-N 3.42Å; I700-D702 VanDerWaalsContact C-N 3.3Å; I700-N703 CarbonylContact O-C 3.52Å; I700-N703 PolarHBondContact O-N 3.02Å; I700-P704 WeakPolarHBondContact O-CA 3.49Å; I700-P704 VanDerWaalsContact O-N 3.13Å; I700-L708 HydrophobicContact CG1-CB 4.37Å; I700-R709 HydrophobicContact CG2-CG 3.77Å; I700-F712 HydrophobicContact CD1-CB 3.43Å; I700-F712 VanDerWaalsContact CD1-CB 3.43Å; I700-F712 HydrophobicContact CD1-CD1 4.26Å; I700-F712 HydrophobicContact CD1-CD2 3.44Å; I700-F712 VanDerWaalsContact CD1-CD2 3.44Å; I700-F712 HydrophobicContact CD1-CE2 4.21Å; I700-F712 HydrophobicContact CD1-CG 3.44Å; I700-F712 VanDerWaalsContact CD1-CG 3.44Å
701N86.7Confident87.5Confident97 Ų9757.2 Ų57.252%0.51930%0.297SS..Hα-helixtrans-66.4-37.1176.1-69.5-25.6000111S697 E698S697-N701 PolarHBondContact O-N 3.13Å; S697-N701 PolarHBondContact O-ND2 3.25Å; E698-N701 WeakPolarHBondContact O-CB 3.46Å; E698-N701 PolarHBondContact O-N 2.67Å; E698-N701 VanDerWaalsContact O-N 3.09Å
702D87.5Confident87.9Confident128 Ų12853.4 Ų53.468%0.68428%0.277SS*.Hα-helixtrans-74.2-29.8175.3-66.9-18.1000112.8E698 F699 I700E698-D702 PolarHBondContact O-N 3.29Å; E698-D702 VanDerWaalsContact O-N 3.09Å; F699-D702 PolarHBondContact O-N 3.24Å; I700-D702 VanDerWaalsContact C-N 3.3Å
703N85.1Confident88.1Confident45 Ų4552.6 Ų52.624%0.24127%0.267CS..SBendtrans-12971.6-178.3-62.3-89.4000111.2F699 I700 H705 L708F699-N703 HydrophobicContact CE1-CB 4.32Å; F699-N703 WeakPolarHBondContact O-CB 3.43Å; F699-N703 PolarHBondContact O-N 2.9Å; F699-N703 PolarHBondContact O-ND2 2.82Å; I700-N703 CarbonylContact O-C 3.52Å; I700-N703 PolarHBondContact O-N 3.02Å; N703-H705 PolarHBondContact O-N 3.03Å; N703-H705 VanDerWaalsContact O-N 3.07Å; N703-L708 HydrophobicContact CB-CD1 4.18Å; N703-L708 WeakPolarHBondContact O-CD1 3.4Å
704P84.1Confident88.1Confident93 Ų9355.7 Ų55.760%0.60428%0.281SS*.  trans-66.3112.6-176.625.6-33.5000110.9I700I700-P704 WeakPolarHBondContact O-CA 3.49Å; I700-P704 VanDerWaalsContact O-N 3.13Å
705H85.7Confident88.3Confident36 Ų3648.2 Ų48.217%0.16725%0.247CC..  trans-149.2141176.4-168.1-74.9000111.2L650 N703 K707 L708 R709L650-H705 HydrophobicContact CD1-CB 4.09Å; N703-H705 PolarHBondContact O-N 3.03Å; N703-H705 VanDerWaalsContact O-N 3.07Å; H705-K707 WeakPolarHBondContact ND1-CB 3.44Å; H705-K707 PolarHBondContact ND1-N 3.45Å; H705-K707 PolarHBondContact O-N 2.66Å; H705-L708 HydrophobicContact CB-CB 4.41Å; H705-L708 HydrophobicContact CB-CD1 4.11Å; H705-L708 HydrophobicContact CB-CG 4.14Å; H705-L708 PolarHBondContact O-N 3.46Å; H705-R709 PolarHBondContact O-N 2.99Å; H705-R709 VanDerWaalsContact O-N 3.1Å
706T86.3Confident88.4Confident68 Ų6843.3 Ų43.342%0.41723%0.226SC..Hα-helixtrans-55.8-51.6-178.252.50000112.1L708 R709 H710 L732T706-L708 PolarHBondContact O-N 3.27Å; T706-R709 WeakPolarHBondContact O-CB 3.48Å; T706-R709 PolarHBondContact O-N 3.1Å; T706-R709 VanDerWaalsContact O-N 3.14Å; T706-H710 PolarHBondContact O-CD2 3.34Å; T706-H710 PolarHBondContact O-N 3.37Å; T706-L732 HydrophobicContact CG2-CD2 4.09Å
707K85.2Confident88.5Confident36 Ų3643.3 Ų43.316%0.15723%0.226CC..Hα-helixtrans-55.6-43.6176.1-173.2172.3-170.5162.10114.6N649 E651 H705 R709 H710 L711N649-K707 HydrophobicContact CB-CB 4.29Å; N649-K707 HydrophobicContact CB-CD 3.93Å; N649-K707 WeakPolarHBondContact O-CD 3.49Å; N649-K707 WeakPolarHBondContact O-CE 3.18Å; N649-K707 PolarHBondContact O-NZ 3.49Å; E651-K707 IonicContact OE2-NZ 2.76Å; E651-K707 PolarHBondContact OE2-NZ 3.12Å; H705-K707 WeakPolarHBondContact ND1-CB 3.44Å; H705-K707 PolarHBondContact ND1-N 3.45Å; H705-K707 PolarHBondContact O-N 2.66Å; K707-R709 VanDerWaalsContact C-N 3.3Å; K707-R709 PolarHBondContact O-N 3.26Å; K707-H710 PolarHBondContact O-N 2.92Å; K707-L711 HydrophobicContact CG-CD1 4.26Å; K707-L711 WeakPolarHBondContact O-CG 3.27Å; K707-L711 PolarHBondContact O-N 2.85Å
708L89.2Confident88.5Confident1 Ų148.2 Ų48.21%0.00525%0.246CC..Hα-helixtrans-65.2-39.2178.9-64.6178.9000110.6L650 V681 F684 F699 I700 N703 H705 T706 L711 F712L650-L708 HydrophobicContact CD1-CD1 4.19Å; L650-L708 HydrophobicContact CD1-CD2 4.32Å; L650-L708 HydrophobicContact CD1-CG 3.99Å; V681-L708 HydrophobicContact CG2-CD2 4.04Å; F684-L708 HydrophobicContact CB-CD2 3.88Å; F684-L708 HydrophobicContact CD1-CD2 3.96Å; F684-L708 HydrophobicContact CG-CD2 3.86Å; F699-L708 HydrophobicContact CE1-CD1 4.2Å; I700-L708 HydrophobicContact CG1-CB 4.37Å; N703-L708 HydrophobicContact CB-CD1 4.18Å; N703-L708 WeakPolarHBondContact O-CD1 3.4Å; H705-L708 HydrophobicContact CB-CB 4.41Å; H705-L708 HydrophobicContact CB-CD1 4.11Å; H705-L708 HydrophobicContact CB-CG 4.14Å; H705-L708 PolarHBondContact O-N 3.46Å; T706-L708 PolarHBondContact O-N 3.27Å; L708-L711 PolarHBondContact O-N 2.71Å; L708-F712 WeakPolarHBondContact O-CB 3.46Å; L708-F712 PolarHBondContact O-N 2.82Å
709R90.5Very high88.4Confident32 Ų3248 Ų4812%0.12124%0.243CC..Hα-helixtrans-64-41.7173.2-67.6-177.4-170.8-87.20.5112.3I700 H705 T706 K707 F712 I713 L732I700-R709 HydrophobicContact CG2-CG 3.77Å; H705-R709 PolarHBondContact O-N 2.99Å; H705-R709 VanDerWaalsContact O-N 3.1Å; T706-R709 WeakPolarHBondContact O-CB 3.48Å; T706-R709 PolarHBondContact O-N 3.1Å; T706-R709 VanDerWaalsContact O-N 3.14Å; K707-R709 VanDerWaalsContact C-N 3.3Å; K707-R709 PolarHBondContact O-N 3.26Å; R709-F712 WeakPolarHBondContact O-CB 3.4Å; R709-F712 PolarHBondContact O-N 2.88Å; R709-I713 WeakPolarHBondContact O-CB 3.34Å; R709-I713 WeakPolarHBondContact O-CD1 3.12Å; R709-I713 VanDerWaalsContact O-CG1 3.24Å; R709-I713 WeakPolarHBondContact O-CG1 3.45Å; R709-I713 PolarHBondContact O-N 2.88Å; R709-L732 HydrophobicContact CB-CD1 4.03Å; R709-L732 HydrophobicContact CB-CD2 4.03Å; R709-L732 HydrophobicContact CB-CG 4.14Å
710H88.5Confident88.3Confident63 Ų6348.9 Ų48.929%0.29225%0.248SC..Hα-helixtrans-61.8-47.5174.5-75.7-66.2000112.3T706 K707 F712 I713 E714 E734T706-H710 PolarHBondContact O-CD2 3.34Å; T706-H710 PolarHBondContact O-N 3.37Å; K707-H710 PolarHBondContact O-N 2.92Å; H710-F712 PolarHBondContact O-N 3.1Å; H710-I713 WeakPolarHBondContact O-CB 3.37Å; H710-I713 PolarHBondContact O-N 2.74Å; H710-I713 VanDerWaalsContact O-N 3.13Å; H710-E714 WeakPolarHBondContact O-CG 3.33Å; H710-E714 PolarHBondContact O-N 2.68Å; H710-E734 IonicContact CE1-OE1 3.95Å; H710-E734 PolarHBondContact CE1-OE1 3.27Å; H710-E734 VanDerWaalsContact CE1-OE1 3.28Å; H710-E734 IonicContact CE1-OE2 2.6Å; H710-E734 PolarHBondContact CE1-OE2 3.34Å; H710-E734 IonicContact NE2-OE1 2.91Å
711L88.3Confident88.3Confident33 Ų3351.4 Ų51.417%0.17326%0.261CS..Hα-helixtrans-59.7-36.1175.9-71170.7000112V681 F684 K707 L708 A715V681-L711 HydrophobicContact CG1-CD1 3.94Å; F684-L711 HydrophobicContact CD1-CB 4.25Å; F684-L711 HydrophobicContact CD1-CD1 4.28Å; F684-L711 HydrophobicContact CE1-CB 3.68Å; K707-L711 HydrophobicContact CG-CD1 4.26Å; K707-L711 WeakPolarHBondContact O-CG 3.27Å; K707-L711 PolarHBondContact O-N 2.85Å; L708-L711 PolarHBondContact O-N 2.71Å; L711-A715 PolarHBondContact O-N 2.79Å; L711-A715 VanDerWaalsContact O-N 3.14Å
712F91.4Very high88.5Confident0 Ų047.7 Ų47.70%024%0.241CC..Hα-helixtrans-67-45.5173.7-170.2-95.4000112.6F684 L688 L693 A696 I700 L708 R709 H710 E714 A715 C716 M724 Q728F684-F712 HydrophobicContact CE2-CD2 4.37Å; F684-F712 HydrophobicContact CZ-CB 3.87Å; F684-F712 AromaticContact CZ-CD2 3.97Å; F684-F712 HydrophobicContact CZ-CD2 3.97Å; F684-F712 HydrophobicContact CZ-CG 4.43Å; L688-F712 HydrophobicContact CD1-CD2 4.5Å; L693-F712 HydrophobicContact CB-CE2 4.48Å; L693-F712 HydrophobicContact CD2-CE2 4.26Å; L693-F712 VanDerWaalsContact O-CE2 3.28Å; L693-F712 WeakPolarHBondContact O-CE2 3.36Å; A696-F712 HydrophobicContact CB-CD2 3.94Å; A696-F712 HydrophobicContact CB-CE2 3.78Å; I700-F712 HydrophobicContact CD1-CB 3.43Å; I700-F712 VanDerWaalsContact CD1-CB 3.43Å; I700-F712 HydrophobicContact CD1-CD1 4.26Å; I700-F712 HydrophobicContact CD1-CD2 3.44Å; I700-F712 VanDerWaalsContact CD1-CD2 3.44Å; I700-F712 HydrophobicContact CD1-CE2 4.21Å; I700-F712 HydrophobicContact CD1-CG 3.44Å; I700-F712 VanDerWaalsContact CD1-CG 3.44Å; L708-F712 WeakPolarHBondContact O-CB 3.46Å; L708-F712 PolarHBondContact O-N 2.82Å; R709-F712 WeakPolarHBondContact O-CB 3.4Å; R709-F712 PolarHBondContact O-N 2.88Å; H710-F712 PolarHBondContact O-N 3.1Å; F712-E714 VanDerWaalsContact C-N 3.29Å; F712-E714 PolarHBondContact O-N 3.38Å; F712-A715 WeakPolarHBondContact O-CB 3.25Å; F712-A715 PolarHBondContact O-N 2.81Å; F712-C716 VanDerWaalsContact CD1-SG 3.56Å; F712-C716 WeakPolarHBondContact CE1-SG 3.48Å; F712-C716 WeakPolarHBondContact O-CB 3.28Å; F712-C716 PolarHBondContact O-N 2.85Å; F712-C716 PolarHBondContact O-SG 2.88Å; F712-C716 VanDerWaalsContact O-SG 3.34Å; F712-M724 HydrophobicContact CE1-CB 4.27Å; F712-M724 HydrophobicContact CE1-CE 4.41Å; F712-M724 HydrophobicContact CZ-CE 3.91Å; F712-Q728 HydrophobicContact CD1-CG 3.52Å; F712-Q728 HydrophobicContact CE1-CG 3.78Å
713I90.9Very high88.7Confident4 Ų448.3 Ų48.32%0.02124%0.24CC..Hα-helixtrans-58.9-44.1175.9-73.2163.3000110R709 H710 A715 C716 L717 Q728 F729 L732R709-I713 WeakPolarHBondContact O-CB 3.34Å; R709-I713 WeakPolarHBondContact O-CD1 3.12Å; R709-I713 VanDerWaalsContact O-CG1 3.24Å; R709-I713 WeakPolarHBondContact O-CG1 3.45Å; R709-I713 PolarHBondContact O-N 2.88Å; H710-I713 WeakPolarHBondContact O-CB 3.37Å; H710-I713 PolarHBondContact O-N 2.74Å; H710-I713 VanDerWaalsContact O-N 3.13Å; I713-A715 VanDerWaalsContact C-N 3.35Å; I713-A715 PolarHBondContact O-N 3.39Å; I713-C716 PolarHBondContact O-N 2.76Å; I713-L717 HydrophobicContact CG2-CD1 3.83Å; I713-L717 HydrophobicContact CG2-CG 4.27Å; I713-L717 WeakPolarHBondContact O-CB 3.33Å; I713-L717 VanDerWaalsContact O-CG 3.3Å; I713-L717 WeakPolarHBondContact O-CG 3.35Å; I713-L717 PolarHBondContact O-N 2.92Å; I713-Q728 HydrophobicContact CD1-CB 3.73Å; I713-Q728 HydrophobicContact CG1-CB 3.49Å; I713-Q728 VanDerWaalsContact CG1-CB 3.49Å; I713-Q728 HydrophobicContact CG1-CG 4.38Å; I713-F729 HydrophobicContact CD1-CD1 3.8Å; I713-F729 HydrophobicContact CD1-CE1 3.94Å; I713-F729 HydrophobicContact CD1-CG 4.14Å; I713-F729 HydrophobicContact CD1-CZ 4.4Å; I713-F729 HydrophobicContact CG2-CD2 4.37Å; I713-F729 HydrophobicContact CG2-CE1 3.91Å; I713-F729 HydrophobicContact CG2-CE2 3.6Å; I713-F729 HydrophobicContact CG2-CZ 3.34Å; I713-L732 HydrophobicContact CD1-CD1 3.48Å; I713-L732 VanDerWaalsContact CD1-CD1 3.48Å
714E89.7Confident88.9Confident88 Ų8848.3 Ų48.341%0.41124%0.239SC..Hα-helixtrans-55.1-51.2175.5-73.5177.6171.600110.7H710 F712 C716 L717 E718 F761H710-E714 WeakPolarHBondContact O-CG 3.33Å; H710-E714 PolarHBondContact O-N 2.68Å; F712-E714 VanDerWaalsContact C-N 3.29Å; F712-E714 PolarHBondContact O-N 3.38Å; E714-C716 PolarHBondContact O-N 3.09Å; E714-L717 PolarHBondContact O-N 3.08Å; E714-E718 WeakPolarHBondContact O-CG 3.47Å; E714-E718 PolarHBondContact O-N 2.86Å; E714-F761 HydrophobicContact CB-CE1 4.05Å; E714-F761 HydrophobicContact CB-CZ 4.09Å; E714-F761 HydrophobicContact CG-CD1 4.22Å; E714-F761 HydrophobicContact CG-CE1 3.61Å; E714-F761 HydrophobicContact CG-CZ 4.18Å
715A90.2Very high89.3Confident5 Ų543.9 Ų43.94%0.04121%0.21CC..Hα-helixtrans-63.6-38.4177.400000114.1L688 L693 L711 F712 I713 K719L688-A715 HydrophobicContact CD1-CB 3.53Å; L688-A715 HydrophobicContact CD2-CB 3.53Å; L688-A715 HydrophobicContact CG-CB 3.92Å; L693-A715 HydrophobicContact CD2-CB 4.15Å; L711-A715 PolarHBondContact O-N 2.79Å; L711-A715 VanDerWaalsContact O-N 3.14Å; F712-A715 WeakPolarHBondContact O-CB 3.25Å; F712-A715 PolarHBondContact O-N 2.81Å; I713-A715 VanDerWaalsContact C-N 3.35Å; I713-A715 PolarHBondContact O-N 3.39Å; A715-K719 WeakPolarHBondContact O-CB 3.26Å; A715-K719 WeakPolarHBondContact O-CG 3.48Å; A715-K719 PolarHBondContact O-N 3.33Å
716C91.6Very high89.5Confident0 Ų044.1 Ų44.10%021%0.212CC..Hα-helixtrans-64.1-44.2175.6-750000111.3F712 I713 E714 K719 Q720 N721 A725F712-C716 VanDerWaalsContact CD1-SG 3.56Å; F712-C716 WeakPolarHBondContact CE1-SG 3.48Å; F712-C716 WeakPolarHBondContact O-CB 3.28Å; F712-C716 PolarHBondContact O-N 2.85Å; F712-C716 PolarHBondContact O-SG 2.88Å; F712-C716 VanDerWaalsContact O-SG 3.34Å; I713-C716 PolarHBondContact O-N 2.76Å; E714-C716 PolarHBondContact O-N 3.09Å; C716-K719 CarbonylContact O-C 3.57Å; C716-K719 PolarHBondContact O-N 3.07Å; C716-Q720 PolarHBondContact O-N 3.3Å; C716-N721 PolarHBondContact O-N 2.81Å; C716-A725 HydrophobicContact CB-CB 3.89Å
717L91.4Very high89.8Confident0 Ų045.5 Ų45.50%022%0.216CC..Hα-helixtrans-66.2-42.5177.5-73.6174.6000111.4I713 E714 K719 Q720 L722 A725 F740 I741 L744 I757 Y760 F761I713-L717 HydrophobicContact CG2-CD1 3.83Å; I713-L717 HydrophobicContact CG2-CG 4.27Å; I713-L717 WeakPolarHBondContact O-CB 3.33Å; I713-L717 VanDerWaalsContact O-CG 3.3Å; I713-L717 WeakPolarHBondContact O-CG 3.35Å; I713-L717 PolarHBondContact O-N 2.92Å; E714-L717 PolarHBondContact O-N 3.08Å; L717-K719 VanDerWaalsContact C-N 3.3Å; L717-K719 PolarHBondContact O-N 3.17Å; L717-Q720 WeakPolarHBondContact O-CA 3.44Å; L717-Q720 PolarHBondContact O-N 3.38Å; L717-L722 HydrophobicContact CD2-CD2 4.46Å; L717-A725 HydrophobicContact CD2-CB 4.26Å; L717-A725 HydrophobicContact CG-CB 4.37Å; L717-F740 HydrophobicContact CD1-CE1 4.48Å; L717-F740 HydrophobicContact CD2-CE1 4.41Å; L717-I741 HydrophobicContact CD2-CD1 3.74Å; L717-L744 HydrophobicContact CD2-CD1 4.08Å; L717-I757 HydrophobicContact CB-CG2 4.02Å; L717-Y760 HydrophobicContact CD1-CD1 4.05Å; L717-Y760 HydrophobicContact CD1-CE1 4.02Å; L717-F761 HydrophobicContact CB-CE2 4.36Å; L717-F761 HydrophobicContact CB-CZ 3.68Å; L717-F761 HydrophobicContact CD1-CE1 3.92Å; L717-F761 HydrophobicContact CD1-CZ 3.89Å; L717-F761 HydrophobicContact CG-CZ 4.45Å
718E87.7Confident89.9Confident124 Ų12444.1 Ų44.158%0.57921%0.21SC*.Hα-helixtrans-58.8-40.9174.2-76-173.7165.400112.3E714 Q720 F761E714-E718 WeakPolarHBondContact O-CG 3.47Å; E714-E718 PolarHBondContact O-N 2.86Å; E718-Q720 VanDerWaalsContact C-N 3.26Å; E718-Q720 PolarHBondContact O-N 2.85Å; E718-F761 HydrophobicContact CG-CE2 3.87Å; E718-F761 HydrophobicContact CG-CZ 4.47Å
719K87.5Confident90Very high120 Ų12044.1 Ų44.152%0.52221%0.21SC..THydrogen-bonded Turntrans-81.72.4174.8-66.7-177.6-179.41770113.8L693 A715 C716 L717 N721L693-K719 HydrophobicContact CD1-CD 3.98Å; L693-K719 HydrophobicContact CD2-CD 4.47Å; L693-K719 HydrophobicContact CG-CD 4.17Å; A715-K719 WeakPolarHBondContact O-CB 3.26Å; A715-K719 WeakPolarHBondContact O-CG 3.48Å; A715-K719 PolarHBondContact O-N 3.33Å; C716-K719 CarbonylContact O-C 3.57Å; C716-K719 PolarHBondContact O-N 3.07Å; L717-K719 VanDerWaalsContact C-N 3.3Å; L717-K719 PolarHBondContact O-N 3.17Å; K719-N721 PolarHBondContact O-N 3.39Å
720Q87.3Confident90Very high54 Ų5446.6 Ų46.625%0.25223%0.228SC..THydrogen-bonded Turntrans55.426.8-176-55.1-170.4-2.100115C716 L717 E718 L722 K750 I757C716-Q720 PolarHBondContact O-N 3.3Å; L717-Q720 WeakPolarHBondContact O-CA 3.44Å; L717-Q720 PolarHBondContact O-N 3.38Å; E718-Q720 VanDerWaalsContact C-N 3.26Å; E718-Q720 PolarHBondContact O-N 2.85Å; Q720-L722 PolarHBondContact O-N 3.2Å; Q720-K750 PolarHBondContact NE2-O 2.89Å; Q720-I757 HydrophobicContact CG-CD1 4.4Å
721N90.4Very high90Very high53 Ų5348.8 Ų48.828%0.28324%0.239SC..  trans-83.986.7172.6-171.1-23.3000110L693 C716 K719 M724 A725L693-N721 HydrophobicContact CD1-CB 4.24Å; C716-N721 PolarHBondContact O-N 2.81Å; K719-N721 PolarHBondContact O-N 3.39Å; N721-M724 PolarHBondContact OD1-N 2.98Å; N721-A725 PolarHBondContact O-N 3.17Å
722L90.7Very high89.9Confident18 Ų1848.8 Ų48.89%0.09424%0.238CC..Hα-helixtrans-71.1-29.3-174.5-57.3-179.5000113.4L717 Q720 E726 I741 L744 R745L717-L722 HydrophobicContact CD2-CD2 4.46Å; Q720-L722 PolarHBondContact O-N 3.2Å; L722-E726 WeakPolarHBondContact O-CB 3.37Å; L722-E726 PolarHBondContact O-N 3.1Å; L722-I741 HydrophobicContact CB-CG2 4.34Å; L722-I741 HydrophobicContact CD2-CD1 4.03Å; L722-L744 HydrophobicContact CD2-CB 4.37Å; L722-L744 HydrophobicContact CD2-CD1 3.96Å; L722-R745 HydrophobicContact CD1-CG 4.1Å
723E90.8Very high89.7Confident142 Ų14257 Ų5766%0.66428%0.277SS*.Hα-helixtrans-68.4-49-177.9-67.6176.2-177.600111.2A725 E726 L727E723-A725 VanDerWaalsContact C-N 3.34Å; E723-A725 PolarHBondContact O-N 3.41Å; E723-E726 PolarHBondContact O-N 3Å; E723-L727 WeakPolarHBondContact O-CG 3.33Å; E723-L727 PolarHBondContact O-N 3.25Å; E723-L727 VanDerWaalsContact O-N 3.11Å
724M90.2Very high89.5Confident44 Ų4459.7 Ų59.722%0.21729%0.289CS..Hα-helixtrans-66.7-36.6177.6-69.7-69.6-93.400111.9F712 N721 L727 Q728F712-M724 HydrophobicContact CE1-CB 4.27Å; F712-M724 HydrophobicContact CE1-CE 4.41Å; F712-M724 HydrophobicContact CZ-CE 3.91Å; N721-M724 PolarHBondContact OD1-N 2.98Å; M724-L727 HydrophobicContact SD-CD1 4.3Å; M724-Q728 WeakPolarHBondContact O-CG 3.37Å; M724-Q728 PolarHBondContact O-N 3.33Å
725A91.1Very high89.5Confident0 Ų063.1 Ų63.10%030%0.3CS..Hα-helixtrans-64.4-44.7174.800000112.2C716 L717 N721 E723 L727 Q728 F729 I741C716-A725 HydrophobicContact CB-CB 3.89Å; L717-A725 HydrophobicContact CD2-CB 4.26Å; L717-A725 HydrophobicContact CG-CB 4.37Å; N721-A725 PolarHBondContact O-N 3.17Å; E723-A725 VanDerWaalsContact C-N 3.34Å; E723-A725 PolarHBondContact O-N 3.41Å; A725-L727 PolarHBondContact O-N 3.3Å; A725-Q728 PolarHBondContact O-N 3.1Å; A725-F729 WeakPolarHBondContact O-CD2 3.5Å; A725-F729 PolarHBondContact O-N 3.25Å; A725-I741 HydrophobicContact CB-CD1 3.91Å
726E91.5Very high89.4Confident42 Ų4266.7 Ų66.720%0.19633%0.325CS..Hα-helixtrans-60.2-45.3177.6-171.4172.8-151.200111.5L722 E723 Q728 F729 V730 I741 R745L722-E726 WeakPolarHBondContact O-CB 3.37Å; L722-E726 PolarHBondContact O-N 3.1Å; E723-E726 PolarHBondContact O-N 3Å; E726-Q728 VanDerWaalsContact C-N 3.29Å; E726-Q728 PolarHBondContact O-N 3.14Å; E726-F729 PolarHBondContact O-N 2.94Å; E726-V730 VanDerWaalsContact O-CG2 3.31Å; E726-V730 WeakPolarHBondContact O-CG2 3.5Å; E726-V730 PolarHBondContact O-N 2.91Å; E726-I741 HydrophobicContact CB-CG2 4.22Å; E726-R745 IonicContact OE1-NH1 2.67Å; E726-R745 PolarHBondContact OE1-NH1 3.49Å; E726-R745 IonicContact OE2-CZ 3.04Å; E726-R745 IonicContact OE2-NH1 3.07Å; E726-R745 PolarHBondContact OE2-NH1 3.15Å; E726-R745 IonicContact OE2-NH2 3.73Å; E726-R745 PolarHBondContact OE2-NH2 3.48Å
727L91Very high89.3Confident97 Ų9766.7 Ų66.751%0.50833%0.325SS..Hα-helixtrans-56.1-43.7176.1-77.4167.6000112E723 M724 A725 V730 H731E723-L727 WeakPolarHBondContact O-CG 3.33Å; E723-L727 PolarHBondContact O-N 3.25Å; E723-L727 VanDerWaalsContact O-N 3.11Å; M724-L727 HydrophobicContact SD-CD1 4.3Å; A725-L727 PolarHBondContact O-N 3.3Å; L727-V730 PolarHBondContact O-N 3.11Å; L727-H731 PolarHBondContact O-CD2 2.96Å; L727-H731 PolarHBondContact O-N 3.39Å; L727-H731 VanDerWaalsContact O-N 3.1Å
728Q89Confident89.1Confident7 Ų768.1 Ų68.13%0.03333%0.332CS..Hα-helixtrans-72.6-35.9179.2-64-48.8-42.400113.4F712 I713 M724 A725 E726 V730 H731 L732F712-Q728 HydrophobicContact CD1-CG 3.52Å; F712-Q728 HydrophobicContact CE1-CG 3.78Å; I713-Q728 HydrophobicContact CD1-CB 3.73Å; I713-Q728 HydrophobicContact CG1-CB 3.49Å; I713-Q728 VanDerWaalsContact CG1-CB 3.49Å; I713-Q728 HydrophobicContact CG1-CG 4.38Å; M724-Q728 WeakPolarHBondContact O-CG 3.37Å; M724-Q728 PolarHBondContact O-N 3.33Å; A725-Q728 PolarHBondContact O-N 3.1Å; E726-Q728 VanDerWaalsContact C-N 3.29Å; E726-Q728 PolarHBondContact O-N 3.14Å; Q728-V730 VanDerWaalsContact C-N 3.28Å; Q728-V730 PolarHBondContact O-N 3.33Å; Q728-H731 WeakPolarHBondContact O-CB 3.5Å; Q728-H731 PolarHBondContact O-N 2.85Å; Q728-L732 WeakPolarHBondContact O-CG 3.24Å; Q728-L732 PolarHBondContact O-N 2.79Å
729F91.1Very high89.3Confident0 Ų065.8 Ų65.80%032%0.321CS..Hα-helixtrans-62.9-36171.9-78.6-58000112.3I713 A725 E726 L732 Q733 E734 I738 I741 Y760I713-F729 HydrophobicContact CD1-CD1 3.8Å; I713-F729 HydrophobicContact CD1-CE1 3.94Å; I713-F729 HydrophobicContact CD1-CG 4.14Å; I713-F729 HydrophobicContact CD1-CZ 4.4Å; I713-F729 HydrophobicContact CG2-CD2 4.37Å; I713-F729 HydrophobicContact CG2-CE1 3.91Å; I713-F729 HydrophobicContact CG2-CE2 3.6Å; I713-F729 HydrophobicContact CG2-CZ 3.34Å; A725-F729 WeakPolarHBondContact O-CD2 3.5Å; A725-F729 PolarHBondContact O-N 3.25Å; E726-F729 PolarHBondContact O-N 2.94Å; F729-L732 CarbonylContact O-C 3.55Å; F729-L732 PolarHBondContact O-N 3.02Å; F729-Q733 PolarHBondContact O-N 3.35Å; F729-E734 HydrophobicContact CD1-CB 4Å; F729-E734 WeakPolarHBondContact CD1-OE2 3.16Å; F729-E734 WeakPolarHBondContact CE1-OE2 3.35Å; F729-E734 PolarHBondContact O-N 2.83Å; F729-E734 VanDerWaalsContact O-N 3.14Å; F729-I738 HydrophobicContact CB-CG1 3.91Å; F729-I741 HydrophobicContact CD2-CG1 4Å; F729-I741 HydrophobicContact CE2-CD1 4.27Å; F729-I741 HydrophobicContact CE2-CG1 4.07Å; F729-Y760 WeakPolarHBondContact CE1-OH 3.43Å; F729-Y760 HydrophobicContact CZ-CE1 4.39Å; F729-Y760 WeakPolarHBondContact CZ-OH 3.26Å
730V90.2Very high89.5Confident84 Ų8461.2 Ų61.251%0.50930%0.301SS..Hα-helixtrans-63.2-42.8172.9171.60000110.7E726 L727 Q728 L732 Q733 I738E726-V730 VanDerWaalsContact O-CG2 3.31Å; E726-V730 WeakPolarHBondContact O-CG2 3.5Å; E726-V730 PolarHBondContact O-N 2.91Å; L727-V730 PolarHBondContact O-N 3.11Å; Q728-V730 VanDerWaalsContact C-N 3.28Å; Q728-V730 PolarHBondContact O-N 3.33Å; V730-L732 VanDerWaalsContact C-N 3.29Å; V730-L732 PolarHBondContact O-N 3.26Å; V730-Q733 PolarHBondContact O-N 2.91Å; V730-Q733 VanDerWaalsContact O-N 3.16Å; V730-I738 HydrophobicContact CG2-CD1 3.9Å; V730-I738 HydrophobicContact CG2-CG1 4.39Å
731H87.3Confident89.7Confident110 Ų11058.6 Ų58.651%0.50929%0.289SS..Hα-helixtrans-62.4-33.8174.1-76.1-62.5000113.4L727 Q728 Q733L727-H731 PolarHBondContact O-CD2 2.96Å; L727-H731 PolarHBondContact O-N 3.39Å; L727-H731 VanDerWaalsContact O-N 3.1Å; Q728-H731 WeakPolarHBondContact O-CB 3.5Å; Q728-H731 PolarHBondContact O-N 2.85Å; H731-Q733 VanDerWaalsContact C-N 3.34Å
732L86.1Confident89.6Confident32 Ų3260.8 Ų60.817%0.16830%0.296CS..Hα-helixtrans-82.9-7.3176.4-68.4174.5000113.9T706 R709 I713 Q728 F729 V730 E734T706-L732 HydrophobicContact CG2-CD2 4.09Å; R709-L732 HydrophobicContact CB-CD1 4.03Å; R709-L732 HydrophobicContact CB-CD2 4.03Å; R709-L732 HydrophobicContact CB-CG 4.14Å; I713-L732 HydrophobicContact CD1-CD1 3.48Å; I713-L732 VanDerWaalsContact CD1-CD1 3.48Å; Q728-L732 WeakPolarHBondContact O-CG 3.24Å; Q728-L732 PolarHBondContact O-N 2.79Å; F729-L732 CarbonylContact O-C 3.55Å; F729-L732 PolarHBondContact O-N 3.02Å; V730-L732 VanDerWaalsContact C-N 3.29Å; V730-L732 PolarHBondContact O-N 3.26Å; L732-E734 HydrophobicContact CB-CB 4.5Å; L732-E734 HydrophobicContact CB-CG 4.08Å; L732-E734 PolarHBondContact O-N 3.44Å
733Q88.4Confident89.6Confident174 Ų17465.9 Ų65.981%0.81331%0.314SS*.THydrogen-bonded Turntrans56.126.9-172.6-55.2-178.34.500114F729 V730 H731 Y735F729-Q733 PolarHBondContact O-N 3.35Å; V730-Q733 PolarHBondContact O-N 2.91Å; V730-Q733 VanDerWaalsContact O-N 3.16Å; H731-Q733 VanDerWaalsContact C-N 3.34Å; Q733-Y735 PolarHBondContact O-N 2.89Å
734E87Confident89.7Confident59 Ų5959.1 Ų59.128%0.27628%0.282SS..  trans-85.791.7179.9-76.7-167.7153.400111.5H710 F729 L732 S736 G737 I738H710-E734 IonicContact CE1-OE1 3.95Å; H710-E734 PolarHBondContact CE1-OE1 3.27Å; H710-E734 VanDerWaalsContact CE1-OE1 3.28Å; H710-E734 IonicContact CE1-OE2 2.6Å; H710-E734 PolarHBondContact CE1-OE2 3.34Å; H710-E734 IonicContact NE2-OE1 2.91Å; F729-E734 HydrophobicContact CD1-CB 4Å; F729-E734 WeakPolarHBondContact CD1-OE2 3.16Å; F729-E734 WeakPolarHBondContact CE1-OE2 3.35Å; F729-E734 PolarHBondContact O-N 2.83Å; F729-E734 VanDerWaalsContact O-N 3.14Å; L732-E734 HydrophobicContact CB-CB 4.5Å; L732-E734 HydrophobicContact CB-CG 4.08Å; L732-E734 PolarHBondContact O-N 3.44Å; E734-S736 PolarHBondContact O-N 2.99Å; E734-G737 PolarHBondContact O-N 2.74Å; E734-G737 VanDerWaalsContact O-N 3.16Å; E734-I738 PolarHBondContact O-N 3.41Å
735Y88.8Confident89.6Confident160 Ų16062.5 Ų62.563%0.62729%0.292SS*.Hα-helixtrans-58.6-35.7179.6-173.8-99.2000113.4Q733 I738 Q739Q733-Y735 PolarHBondContact O-N 2.89Å; Y735-I738 PolarHBondContact O-N 3.06Å; Y735-Q739 HydrophobicContact CD1-CG 3.93Å; Y735-Q739 HydrophobicContact CE1-CG 3.52Å; Y735-Q739 WeakPolarHBondContact O-CG 3.06Å; Y735-Q739 PolarHBondContact O-N 2.8Å; Y735-Q739 PolarHBondContact OH-NE2 3.39Å
736S88.9Confident89.6Confident81 Ų8169 Ų6957%0.56633%0.328SS*.Hα-helixtrans-60.4-44.4176.449.80000112E734 Q739 F740E734-S736 PolarHBondContact O-N 2.99Å; S736-Q739 PolarHBondContact O-N 2.87Å; S736-F740 WeakPolarHBondContact O-CB 2.89Å; S736-F740 PolarHBondContact O-N 2.76Å
737G88.1Confident89.4Confident0 Ų068.3 Ų68.30%033%0.325CS..Hα-helixtrans-63.6-4117600000112.5E734 F740 I741E734-G737 PolarHBondContact O-N 2.74Å; E734-G737 VanDerWaalsContact O-N 3.16Å; G737-F740 WeakPolarHBondContact O-CB 2.81Å; G737-F740 PolarHBondContact O-N 3.03Å; G737-I741 WeakPolarHBondContact O-CG1 3.27Å; G737-I741 PolarHBondContact O-N 2.53Å
738I89.1Confident89.1Confident30 Ų3072.7 Ų72.715%0.15434%0.343CS..Hα-helixtrans-63.8-44176.4-61169.2000111.1F729 V730 E734 Y735 F740 I741 K742F729-I738 HydrophobicContact CB-CG1 3.91Å; V730-I738 HydrophobicContact CG2-CD1 3.9Å; V730-I738 HydrophobicContact CG2-CG1 4.39Å; E734-I738 PolarHBondContact O-N 3.41Å; Y735-I738 PolarHBondContact O-N 3.06Å; I738-F740 VanDerWaalsContact C-N 3.29Å; I738-F740 PolarHBondContact O-N 3.19Å; I738-I741 PolarHBondContact O-N 2.61Å; I738-K742 WeakPolarHBondContact O-CG 2.86Å; I738-K742 PolarHBondContact O-N 3.14Å
739Q90.2Very high89Confident74 Ų7474.5 Ų74.535%0.34636%0.356SS..Hα-helixtrans-63.8-37.3175.3-73.4-64.9-10.600112Y735 S736 K742 R743Y735-Q739 HydrophobicContact CD1-CG 3.93Å; Y735-Q739 HydrophobicContact CE1-CG 3.52Å; Y735-Q739 WeakPolarHBondContact O-CG 3.06Å; Y735-Q739 PolarHBondContact O-N 2.8Å; Y735-Q739 PolarHBondContact OH-NE2 3.39Å; S736-Q739 PolarHBondContact O-N 2.87Å; Q739-K742 PolarHBondContact O-N 2.95Å; Q739-R743 PolarHBondContact O-N 3.38Å
740F91.8Very high88.8Confident24 Ų2481.8 Ų81.811%0.10539%0.388CS..Hα-helixtrans-61.6-45.3173.9-179.1-115.7000111.7L717 S736 G737 I738 K742 R743 L744 I757 Y760L717-F740 HydrophobicContact CD1-CE1 4.48Å; L717-F740 HydrophobicContact CD2-CE1 4.41Å; S736-F740 WeakPolarHBondContact O-CB 2.89Å; S736-F740 PolarHBondContact O-N 2.76Å; G737-F740 WeakPolarHBondContact O-CB 2.81Å; G737-F740 PolarHBondContact O-N 3.03Å; I738-F740 VanDerWaalsContact C-N 3.29Å; I738-F740 PolarHBondContact O-N 3.19Å; F740-K742 VanDerWaalsContact C-N 3.35Å; F740-K742 PolarHBondContact O-N 3.25Å; F740-R743 WeakPolarHBondContact O-CB 3.34Å; F740-R743 PolarHBondContact O-N 2.55Å; F740-R743 VanDerWaalsContact O-N 3.15Å; F740-L744 HydrophobicContact CD1-CD1 3.94Å; F740-L744 HydrophobicContact CD1-CG 4.41Å; F740-L744 HydrophobicContact CE1-CD1 3.47Å; F740-L744 VanDerWaalsContact CE1-CD1 3.47Å; F740-L744 HydrophobicContact CE1-CD2 4.39Å; F740-L744 HydrophobicContact CE1-CG 4.06Å; F740-L744 HydrophobicContact CE2-CD1 4.46Å; F740-L744 HydrophobicContact CE2-CD2 4.04Å; F740-L744 HydrophobicContact CE2-CG 4.17Å; F740-L744 HydrophobicContact CZ-CD1 3.75Å; F740-L744 HydrophobicContact CZ-CD2 3.79Å; F740-L744 HydrophobicContact CZ-CG 3.92Å; F740-L744 WeakPolarHBondContact O-CG 3.37Å; F740-L744 PolarHBondContact O-N 3.07Å; F740-I757 HydrophobicContact CE1-CG1 4.5Å; F740-I757 HydrophobicContact CZ-CG1 4.35Å; F740-Y760 HydrophobicContact CB-CE2 4.38Å; F740-Y760 HydrophobicContact CD1-CD1 4.44Å; F740-Y760 AromaticContact CD1-CD2 3.6Å; F740-Y760 HydrophobicContact CD1-CD2 3.6Å; F740-Y760 AromaticContact CD1-CE2 3.86Å; F740-Y760 HydrophobicContact CD1-CE2 3.86Å; F740-Y760 AromaticContact CD1-CG 3.93Å; F740-Y760 HydrophobicContact CD1-CG 3.93Å; F740-Y760 HydrophobicContact CD2-CD2 4.03Å; F740-Y760 HydrophobicContact CE1-CD1 4.04Å; F740-Y760 AromaticContact CE1-CD2 3.66Å; F740-Y760 HydrophobicContact CE1-CD2 3.66Å; F740-Y760 HydrophobicContact CE1-CE2 4.31Å; F740-Y760 AromaticContact CE1-CG 3.51Å; F740-Y760 HydrophobicContact CE1-CG 3.51Å; F740-Y760 HydrophobicContact CE2-CD2 4.1Å; F740-Y760 HydrophobicContact CE2-CG 4.35Å; F740-Y760 AromaticContact CG-CD2 3.8Å; F740-Y760 HydrophobicContact CG-CD2 3.8Å; F740-Y760 HydrophobicContact CG-CE2 4.07Å; F740-Y760 HydrophobicContact CG-CG 4.49Å; F740-Y760 VanDerWaalsContact CZ-CB 3.41Å; F740-Y760 AromaticContact CZ-CD2 3.93Å; F740-Y760 HydrophobicContact CZ-CD2 3.93Å; F740-Y760 AromaticContact CZ-CG 3.76Å; F740-Y760 HydrophobicContact CZ-CG 3.76Å
741I91.6Very high88.7Confident0 Ų079.9 Ų79.90%037%0.374CS..Hα-helixtrans-59.9-43.2174.5-64.7-66.8000111.8L717 L722 A725 E726 F729 G737 I738 R743 L744 R745L717-I741 HydrophobicContact CD2-CD1 3.74Å; L722-I741 HydrophobicContact CB-CG2 4.34Å; L722-I741 HydrophobicContact CD2-CD1 4.03Å; A725-I741 HydrophobicContact CB-CD1 3.91Å; E726-I741 HydrophobicContact CB-CG2 4.22Å; F729-I741 HydrophobicContact CD2-CG1 4Å; F729-I741 HydrophobicContact CE2-CD1 4.27Å; F729-I741 HydrophobicContact CE2-CG1 4.07Å; G737-I741 WeakPolarHBondContact O-CG1 3.27Å; G737-I741 PolarHBondContact O-N 2.53Å; I738-I741 PolarHBondContact O-N 2.61Å; I741-R743 VanDerWaalsContact C-N 3.3Å; I741-R743 PolarHBondContact O-N 2.8Å; I741-L744 HydrophobicContact CD1-CD1 4.42Å; I741-L744 PolarHBondContact O-N 2.92Å; I741-R745 PolarHBondContact O-N 2.91Å
742K90Very high88.8Confident98 Ų9876.6 Ų76.643%0.42636%0.36SS..Hα-helixtrans-59.5-41.3175.4-72178.3-178.9178.50111.8I738 Q739 F740 R745 N746I738-K742 WeakPolarHBondContact O-CG 2.86Å; I738-K742 PolarHBondContact O-N 3.14Å; Q739-K742 PolarHBondContact O-N 2.95Å; F740-K742 VanDerWaalsContact C-N 3.35Å; F740-K742 PolarHBondContact O-N 3.25Å; K742-R745 PolarHBondContact O-N 3.39Å; K742-N746 PolarHBondContact O-N 3.49Å
743R90.7Very high89Confident126 Ų12677.2 Ų77.248%0.47536%0.36SS..Hα-helixtrans-63.2-44.1174.2-172.5179.1177.2174.9-2.1111.6Q739 F740 I741 R745 N746 E756 R786Q739-R743 PolarHBondContact O-N 3.38Å; F740-R743 WeakPolarHBondContact O-CB 3.34Å; F740-R743 PolarHBondContact O-N 2.55Å; F740-R743 VanDerWaalsContact O-N 3.15Å; I741-R743 VanDerWaalsContact C-N 3.3Å; I741-R743 PolarHBondContact O-N 2.8Å; R743-R745 VanDerWaalsContact C-N 3.32Å; R743-R745 PolarHBondContact O-N 3.11Å; R743-N746 PolarHBondContact O-N 2.83Å; R743-E756 IonicContact NH2-OE2 2.66Å; R743-R786 VanDerWaalsContact NH2-NH1 3.16Å
744L91Very high89.1Confident0 Ų074 Ų740%034%0.344CS..Hα-helixtrans-63.5-34178.2-68178.7000113L717 L722 F740 I741 N746 I747 R753 E756 I757L717-L744 HydrophobicContact CD2-CD1 4.08Å; L722-L744 HydrophobicContact CD2-CB 4.37Å; L722-L744 HydrophobicContact CD2-CD1 3.96Å; F740-L744 HydrophobicContact CD1-CD1 3.94Å; F740-L744 HydrophobicContact CD1-CG 4.41Å; F740-L744 HydrophobicContact CE1-CD1 3.47Å; F740-L744 VanDerWaalsContact CE1-CD1 3.47Å; F740-L744 HydrophobicContact CE1-CD2 4.39Å; F740-L744 HydrophobicContact CE1-CG 4.06Å; F740-L744 HydrophobicContact CE2-CD1 4.46Å; F740-L744 HydrophobicContact CE2-CD2 4.04Å; F740-L744 HydrophobicContact CE2-CG 4.17Å; F740-L744 HydrophobicContact CZ-CD1 3.75Å; F740-L744 HydrophobicContact CZ-CD2 3.79Å; F740-L744 HydrophobicContact CZ-CG 3.92Å; F740-L744 WeakPolarHBondContact O-CG 3.37Å; F740-L744 PolarHBondContact O-N 3.07Å; I741-L744 HydrophobicContact CD1-CD1 4.42Å; I741-L744 PolarHBondContact O-N 2.92Å; L744-N746 VanDerWaalsContact C-N 3.28Å; L744-N746 PolarHBondContact O-N 2.9Å; L744-I747 HydrophobicContact CD2-CD1 4.36Å; L744-I747 PolarHBondContact O-N 3.07Å; L744-R753 HydrophobicContact CB-CG 4.21Å; L744-R753 HydrophobicContact CD2-CG 3.75Å; L744-R753 HydrophobicContact CG-CG 4.42Å; L744-R753 PolarHBondContact O-NE 2.89Å; L744-R753 VanDerWaalsContact O-NE 3.13Å; L744-R753 PolarHBondContact O-NH2 2.98Å; L744-E756 HydrophobicContact CD2-CB 3.97Å; L744-I757 HydrophobicContact CD1-CD1 4.19Å; L744-I757 HydrophobicContact CD1-CG1 3.83Å; L744-I757 HydrophobicContact CD2-CG1 4.11Å
745R90.2Very high89.3Confident114 Ų11471.4 Ų71.443%0.4333%0.332SS..Hα-helixtrans-62.5-33.3174.7-78.6-177.2170.9144.73.2112.6L722 E726 I741 K742 R743 I747L722-R745 HydrophobicContact CD1-CG 4.1Å; E726-R745 IonicContact OE1-NH1 2.67Å; E726-R745 PolarHBondContact OE1-NH1 3.49Å; E726-R745 IonicContact OE2-CZ 3.04Å; E726-R745 IonicContact OE2-NH1 3.07Å; E726-R745 PolarHBondContact OE2-NH1 3.15Å; E726-R745 IonicContact OE2-NH2 3.73Å; E726-R745 PolarHBondContact OE2-NH2 3.48Å; I741-R745 PolarHBondContact O-N 2.91Å; K742-R745 PolarHBondContact O-N 3.39Å; R743-R745 VanDerWaalsContact C-N 3.32Å; R743-R745 PolarHBondContact O-N 3.11Å; R745-I747 VanDerWaalsContact C-N 3.31Å; R745-I747 PolarHBondContact O-N 2.89Å
746N89.4Confident89.4Confident138 Ų13864.8 Ų64.874%0.73831%0.307SS*.Hα-helixtrans-76.7-16.4178.3-68.1-14000113.3K742 R743 L744 Q748K742-N746 PolarHBondContact O-N 3.49Å; R743-N746 PolarHBondContact O-N 2.83Å; L744-N746 VanDerWaalsContact C-N 3.28Å; L744-N746 PolarHBondContact O-N 2.9Å; N746-Q748 PolarHBondContact O-N 2.63Å
747I88.3Confident89.5Confident27 Ų2761.2 Ų61.214%0.13828%0.282CS..  trans-85.7110.7178.8-60.5171.4000109.3L744 R745 I752 R753 E756L744-I747 HydrophobicContact CD2-CD1 4.36Å; L744-I747 PolarHBondContact O-N 3.07Å; R745-I747 VanDerWaalsContact C-N 3.31Å; R745-I747 PolarHBondContact O-N 2.89Å; I747-I752 HydrophobicContact CD1-CG2 4.41Å; I747-I752 HydrophobicContact CG2-CB 3.77Å; I747-I752 HydrophobicContact CG2-CG2 3.74Å; I747-R753 HydrophobicContact CG2-CB 4.23Å; I747-R753 PolarHBondContact O-NE 2.8Å; I747-R753 PolarHBondContact O-NH2 2.77Å; I747-E756 HydrophobicContact CD1-CB 4.47Å; I747-E756 HydrophobicContact CD1-CG 3.91Å
748Q83.3Confident89.7Confident188 Ų18862.2 Ų62.288%0.87929%0.287SS*.  trans-73.1-34.5-179.7-65.8-179.5-7.300113N746 K750N746-Q748 PolarHBondContact O-N 2.63Å; Q748-K750 PolarHBondContact O-N 2.81Å
749S87.3Confident89.7Confident46 Ų4661.9 Ų61.932%0.32229%0.286SS..  trans-76.5119.4-179.2175.50000111.4L751 I752 R753S749-L751 PolarHBondContact O-N 3.32Å; S749-L751 PolarHBondContact OG-N 2.74Å; S749-I752 PolarHBondContact O-N 2.97Å; S749-I752 PolarHBondContact OG-N 2.81Å; S749-R753 WeakPolarHBondContact O-CB 3.21Å; S749-R753 PolarHBondContact O-N 3.33Å
750K87.4Confident89.7Confident152 Ų15262.2 Ų62.266%0.66129%0.285SS*.Hα-helixtrans-58.3-31.4174.3-70.5-172.7179.7-177.60112.7Q720 Q748 K754Q720-K750 PolarHBondContact NE2-O 2.89Å; Q748-K750 PolarHBondContact O-N 2.81Å; K750-K754 WeakPolarHBondContact O-CB 3.27Å; K750-K754 PolarHBondContact O-N 3.08Å
751L88.2Confident89.5Confident44 Ų4462.8 Ų62.823%0.2329%0.287CS..Hα-helixtrans-70-52.2179-175.5168.4000111S749 R753 K754 A755 L770 L771 N774S749-L751 PolarHBondContact O-N 3.32Å; S749-L751 PolarHBondContact OG-N 2.74Å; L751-R753 PolarHBondContact O-N 2.91Å; L751-K754 WeakPolarHBondContact O-CA 3.5Å; L751-K754 WeakPolarHBondContact O-CB 3.49Å; L751-K754 PolarHBondContact O-N 2.85Å; L751-A755 PolarHBondContact O-N 3.41Å; L751-L770 HydrophobicContact CD2-CG 4.47Å; L751-L771 HydrophobicContact CD2-CD2 3.99Å; L751-N774 HydrophobicContact CD1-CB 3.46Å; L751-N774 VanDerWaalsContact CD1-CB 3.46Å; L751-N774 VanDerWaalsContact CD1-OD1 3.31Å; L751-N774 WeakPolarHBondContact CD1-OD1 3.35Å
752I88.7Confident89.2Confident42 Ų4270.9 Ų70.922%0.21532%0.323CS..Hα-helixtrans-61.6-39.1178.1-60.6175.7000109.7I747 S749 K754 A755 E756 L779I747-I752 HydrophobicContact CD1-CG2 4.41Å; I747-I752 HydrophobicContact CG2-CB 3.77Å; I747-I752 HydrophobicContact CG2-CG2 3.74Å; S749-I752 PolarHBondContact O-N 2.97Å; S749-I752 PolarHBondContact OG-N 2.81Å; I752-K754 VanDerWaalsContact C-N 3.34Å; I752-K754 PolarHBondContact O-N 3.33Å; I752-A755 PolarHBondContact O-N 3.34Å; I752-E756 HydrophobicContact CG2-CG 4.4Å; I752-E756 WeakPolarHBondContact O-CG 3.16Å; I752-E756 PolarHBondContact O-N 2.76Å; I752-L779 HydrophobicContact CD1-CD1 3.93Å; I752-L779 HydrophobicContact CG1-CD1 4.08Å
753R91.1Very high89.1Confident44 Ų4470 Ų7017%0.16632%0.319CS..Hα-helixtrans-59.3-45174.1-165.4-175.4-68.4171.90.1111.5L744 I747 S749 L751 E756 I757L744-R753 HydrophobicContact CB-CG 4.21Å; L744-R753 HydrophobicContact CD2-CG 3.75Å; L744-R753 HydrophobicContact CG-CG 4.42Å; L744-R753 PolarHBondContact O-NE 2.89Å; L744-R753 VanDerWaalsContact O-NE 3.13Å; L744-R753 PolarHBondContact O-NH2 2.98Å; I747-R753 HydrophobicContact CG2-CB 4.23Å; I747-R753 PolarHBondContact O-NE 2.8Å; I747-R753 PolarHBondContact O-NH2 2.77Å; S749-R753 WeakPolarHBondContact O-CB 3.21Å; S749-R753 PolarHBondContact O-N 3.33Å; L751-R753 PolarHBondContact O-N 2.91Å; R753-E756 PolarHBondContact O-N 3.46Å; R753-I757 HydrophobicContact CG-CD1 4.12Å; R753-I757 WeakPolarHBondContact O-CD1 3.48Å; R753-I757 WeakPolarHBondContact O-CG1 3.36Å; R753-I757 PolarHBondContact O-N 2.99Å
754K91.3Very high89Confident108 Ų10866.3 Ų66.347%0.4731%0.307SS..Hα-helixtrans-63.9-41176.1-170.6177.3-179.6-178.30111.9K750 L751 I752 I757 L758 L770K750-K754 WeakPolarHBondContact O-CB 3.27Å; K750-K754 PolarHBondContact O-N 3.08Å; L751-K754 WeakPolarHBondContact O-CA 3.5Å; L751-K754 WeakPolarHBondContact O-CB 3.49Å; L751-K754 PolarHBondContact O-N 2.85Å; I752-K754 VanDerWaalsContact C-N 3.34Å; I752-K754 PolarHBondContact O-N 3.33Å; K754-I757 PolarHBondContact O-N 3.43Å; K754-L758 WeakPolarHBondContact O-CG 3.5Å; K754-L758 PolarHBondContact O-N 3.32Å; K754-L770 HydrophobicContact CB-CD2 4Å; K754-L770 HydrophobicContact CD-CD2 4.06Å; K754-L770 HydrophobicContact CG-CD2 3.92Å
755A90.2Very high88.9Confident4 Ų471.5 Ų71.53%0.03334%0.335CS..Hα-helixtrans-61.6-48.717500000111.4L751 I752 I757 L758 V759 L770 L771L751-A755 PolarHBondContact O-N 3.41Å; I752-A755 PolarHBondContact O-N 3.34Å; A755-I757 VanDerWaalsContact C-N 3.28Å; A755-I757 PolarHBondContact O-N 3.04Å; A755-L758 WeakPolarHBondContact O-CB 3.39Å; A755-L758 PolarHBondContact O-N 3.43Å; A755-L758 VanDerWaalsContact O-N 3.13Å; A755-V759 VanDerWaalsContact O-CG2 3.24Å; A755-V759 WeakPolarHBondContact O-CG2 3.41Å; A755-V759 PolarHBondContact O-N 3.2Å; A755-L770 HydrophobicContact CB-CD2 4.14Å; A755-L771 HydrophobicContact CB-CD1 4.36Å; A755-L771 HydrophobicContact CB-CD2 3.98Å; A755-L771 HydrophobicContact CB-CG 4.05Å
756E90.7Very high88.9Confident21 Ų2170.9 Ų70.910%0.09834%0.336CS..Hα-helixtrans-62.4-33.4177-70.9-74.8155.100112.5R743 L744 I747 I752 R753 V759 Y760 R786R743-E756 IonicContact NH2-OE2 2.66Å; L744-E756 HydrophobicContact CD2-CB 3.97Å; I747-E756 HydrophobicContact CD1-CB 4.47Å; I747-E756 HydrophobicContact CD1-CG 3.91Å; I752-E756 HydrophobicContact CG2-CG 4.4Å; I752-E756 WeakPolarHBondContact O-CG 3.16Å; I752-E756 PolarHBondContact O-N 2.76Å; R753-E756 PolarHBondContact O-N 3.46Å; E756-V759 PolarHBondContact O-N 2.96Å; E756-Y760 WeakPolarHBondContact O-CB 3.5Å; E756-Y760 PolarHBondContact O-N 3.17Å; E756-R786 IonicContact OE1-CZ 3.43Å; E756-R786 IonicContact OE1-NH1 3.55Å; E756-R786 PolarHBondContact OE1-NH1 3.35Å; E756-R786 IonicContact OE1-NH2 3.54Å; E756-R786 PolarHBondContact OE1-NH2 2.89Å; E756-R786 IonicContact OE2-NH1 3.09Å
757I91.8Very high89Confident6 Ų664.3 Ų64.33%0.03130%0.301CS..Hα-helixtrans-66.3-44.2172.3-70.3162.3000111.4L717 Q720 F740 L744 R753 K754 A755 V759 Y760 F761L717-I757 HydrophobicContact CB-CG2 4.02Å; Q720-I757 HydrophobicContact CG-CD1 4.4Å; F740-I757 HydrophobicContact CE1-CG1 4.5Å; F740-I757 HydrophobicContact CZ-CG1 4.35Å; L744-I757 HydrophobicContact CD1-CD1 4.19Å; L744-I757 HydrophobicContact CD1-CG1 3.83Å; L744-I757 HydrophobicContact CD2-CG1 4.11Å; R753-I757 HydrophobicContact CG-CD1 4.12Å; R753-I757 WeakPolarHBondContact O-CD1 3.48Å; R753-I757 WeakPolarHBondContact O-CG1 3.36Å; R753-I757 PolarHBondContact O-N 2.99Å; K754-I757 PolarHBondContact O-N 3.43Å; A755-I757 VanDerWaalsContact C-N 3.28Å; A755-I757 PolarHBondContact O-N 3.04Å; I757-V759 VanDerWaalsContact C-N 3.28Å; I757-V759 PolarHBondContact O-N 3.48Å; I757-Y760 WeakPolarHBondContact O-CB 3.49Å; I757-Y760 PolarHBondContact O-N 3.18Å; I757-F761 HydrophobicContact CG2-CD2 3.91Å; I757-F761 HydrophobicContact CG2-CE2 3.39Å; I757-F761 HydrophobicContact CG2-CZ 4Å; I757-F761 WeakPolarHBondContact O-CD2 3.47Å; I757-F761 PolarHBondContact O-N 3.25Å
758L91.3Very high89.1Confident21 Ų2163.3 Ų63.311%0.1130%0.296CS..Hα-helixtrans-61.5-39.4175-71.1169.6000111.5K754 A755 Y760 F761 K762 K763 E766 A767 L770K754-L758 WeakPolarHBondContact O-CG 3.5Å; K754-L758 PolarHBondContact O-N 3.32Å; A755-L758 WeakPolarHBondContact O-CB 3.39Å; A755-L758 PolarHBondContact O-N 3.43Å; A755-L758 VanDerWaalsContact O-N 3.13Å; L758-Y760 VanDerWaalsContact C-N 3.34Å; L758-F761 CarbonylContact O-C 3.58Å; L758-F761 PolarHBondContact O-N 3.09Å; L758-K762 PolarHBondContact O-N 3.49Å; L758-K763 HydrophobicContact CB-CB 4.43Å; L758-K763 HydrophobicContact CD2-CB 4.31Å; L758-K763 HydrophobicContact CD2-CD 4.12Å; L758-K763 WeakPolarHBondContact O-CA 3.34Å; L758-K763 PolarHBondContact O-N 3.18Å; L758-E766 HydrophobicContact CD1-CB 4.13Å; L758-E766 HydrophobicContact CD2-CB 4.3Å; L758-A767 HydrophobicContact CB-CB 3.82Å; L758-L770 HydrophobicContact CD1-CD2 4.04Å
759V89.9Confident89.5Confident23 Ų2357.7 Ų57.714%0.13928%0.275CS..Hα-helixtrans-62.9-41.4174.31750000111.3A755 E756 I757 F761 K762 A767 L783A755-V759 VanDerWaalsContact O-CG2 3.24Å; A755-V759 WeakPolarHBondContact O-CG2 3.41Å; A755-V759 PolarHBondContact O-N 3.2Å; E756-V759 PolarHBondContact O-N 2.96Å; I757-V759 VanDerWaalsContact C-N 3.28Å; I757-V759 PolarHBondContact O-N 3.48Å; V759-F761 VanDerWaalsContact C-N 3.29Å; V759-F761 PolarHBondContact O-N 3.46Å; V759-K762 PolarHBondContact O-N 3Å; V759-A767 HydrophobicContact CG2-CB 3.59Å; V759-L783 HydrophobicContact CB-CD1 4.29Å; V759-L783 HydrophobicContact CG1-CD1 3.9Å; V759-L783 HydrophobicContact CG2-CD1 3.35Å; V759-L783 HydrophobicContact CG2-CD2 3.82Å; V759-L783 HydrophobicContact CG2-CG 4.22Å
760Y88.7Confident89.7Confident81 Ų8157.2 Ų57.232%0.31827%0.268SS..Hα-helixtrans-60.1-38.6174.5-178.2-94.5000112.3L717 F729 F740 E756 I757 L758 K762L717-Y760 HydrophobicContact CD1-CD1 4.05Å; L717-Y760 HydrophobicContact CD1-CE1 4.02Å; F729-Y760 WeakPolarHBondContact CE1-OH 3.43Å; F729-Y760 HydrophobicContact CZ-CE1 4.39Å; F729-Y760 WeakPolarHBondContact CZ-OH 3.26Å; F740-Y760 HydrophobicContact CB-CE2 4.38Å; F740-Y760 HydrophobicContact CD1-CD1 4.44Å; F740-Y760 AromaticContact CD1-CD2 3.6Å; F740-Y760 HydrophobicContact CD1-CD2 3.6Å; F740-Y760 AromaticContact CD1-CE2 3.86Å; F740-Y760 HydrophobicContact CD1-CE2 3.86Å; F740-Y760 AromaticContact CD1-CG 3.93Å; F740-Y760 HydrophobicContact CD1-CG 3.93Å; F740-Y760 HydrophobicContact CD2-CD2 4.03Å; F740-Y760 HydrophobicContact CE1-CD1 4.04Å; F740-Y760 AromaticContact CE1-CD2 3.66Å; F740-Y760 HydrophobicContact CE1-CD2 3.66Å; F740-Y760 HydrophobicContact CE1-CE2 4.31Å; F740-Y760 AromaticContact CE1-CG 3.51Å; F740-Y760 HydrophobicContact CE1-CG 3.51Å; F740-Y760 HydrophobicContact CE2-CD2 4.1Å; F740-Y760 HydrophobicContact CE2-CG 4.35Å; F740-Y760 AromaticContact CG-CD2 3.8Å; F740-Y760 HydrophobicContact CG-CD2 3.8Å; F740-Y760 HydrophobicContact CG-CE2 4.07Å; F740-Y760 HydrophobicContact CG-CG 4.49Å; F740-Y760 VanDerWaalsContact CZ-CB 3.41Å; F740-Y760 AromaticContact CZ-CD2 3.93Å; F740-Y760 HydrophobicContact CZ-CD2 3.93Å; F740-Y760 AromaticContact CZ-CG 3.76Å; F740-Y760 HydrophobicContact CZ-CG 3.76Å; E756-Y760 WeakPolarHBondContact O-CB 3.5Å; E756-Y760 PolarHBondContact O-N 3.17Å; I757-Y760 WeakPolarHBondContact O-CB 3.49Å; I757-Y760 PolarHBondContact O-N 3.18Å; L758-Y760 VanDerWaalsContact C-N 3.34Å; Y760-K762 PolarHBondContact O-N 3.16Å
761F87.6Confident89.8Confident35 Ų3550.3 Ų50.315%0.15424%0.239CC..THydrogen-bonded Turntrans-77.19173.6-61.4-39.1000114.8E714 L717 E718 I757 L758 V759 K763E714-F761 HydrophobicContact CB-CE1 4.05Å; E714-F761 HydrophobicContact CB-CZ 4.09Å; E714-F761 HydrophobicContact CG-CD1 4.22Å; E714-F761 HydrophobicContact CG-CE1 3.61Å; E714-F761 HydrophobicContact CG-CZ 4.18Å; L717-F761 HydrophobicContact CB-CE2 4.36Å; L717-F761 HydrophobicContact CB-CZ 3.68Å; L717-F761 HydrophobicContact CD1-CE1 3.92Å; L717-F761 HydrophobicContact CD1-CZ 3.89Å; L717-F761 HydrophobicContact CG-CZ 4.45Å; E718-F761 HydrophobicContact CG-CE2 3.87Å; E718-F761 HydrophobicContact CG-CZ 4.47Å; I757-F761 HydrophobicContact CG2-CD2 3.91Å; I757-F761 HydrophobicContact CG2-CE2 3.39Å; I757-F761 HydrophobicContact CG2-CZ 4Å; I757-F761 WeakPolarHBondContact O-CD2 3.47Å; I757-F761 PolarHBondContact O-N 3.25Å; L758-F761 CarbonylContact O-C 3.58Å; L758-F761 PolarHBondContact O-N 3.09Å; V759-F761 VanDerWaalsContact C-N 3.29Å; V759-F761 PolarHBondContact O-N 3.46Å; F761-K763 HydrophobicContact CB-CD 4.36Å; F761-K763 HydrophobicContact CB-CG 4.16Å; F761-K763 PolarHBondContact O-N 3.42Å; F761-K763 VanDerWaalsContact O-N 3.16Å
762K85.4Confident89.8Confident171 Ų17150.8 Ų50.874%0.74324%0.241SC*.THydrogen-bonded Turntrans59.619.4-175.5-51.8-179.8180-179.60113.8L758 V759 Y760 H764L758-K762 PolarHBondContact O-N 3.49Å; V759-K762 PolarHBondContact O-N 3Å; Y760-K762 PolarHBondContact O-N 3.16Å; K762-H764 VanDerWaalsContact C-N 3.27Å; K762-H764 PolarHBondContact O-N 3.47Å
763K87.9Confident89.9Confident78 Ų7855 Ų5534%0.33926%0.264SS..  trans-90.362.7175-62.3-177.6178.6-177.80109.8L758 F761 D765 E766 A767L758-K763 HydrophobicContact CB-CB 4.43Å; L758-K763 HydrophobicContact CD2-CB 4.31Å; L758-K763 HydrophobicContact CD2-CD 4.12Å; L758-K763 WeakPolarHBondContact O-CA 3.34Å; L758-K763 PolarHBondContact O-N 3.18Å; F761-K763 HydrophobicContact CB-CD 4.36Å; F761-K763 HydrophobicContact CB-CG 4.16Å; F761-K763 PolarHBondContact O-N 3.42Å; F761-K763 VanDerWaalsContact O-N 3.16Å; K763-D765 PolarHBondContact O-N 3.14Å; K763-E766 HydrophobicContact CB-CB 4.24Å; K763-E766 HydrophobicContact CB-CG 4.45Å; K763-E766 PolarHBondContact O-N 2.92Å; K763-A767 PolarHBondContact O-N 2.9Å; K763-A767 VanDerWaalsContact O-N 3.11Å
764H89.3Confident89.8Confident49 Ų4956.6 Ų56.623%0.22728%0.276CS..Hα-helixtrans-64.7-38.1-171.6-56.3-52.8000112.9K762 A767 E768 L787K762-H764 VanDerWaalsContact C-N 3.27Å; K762-H764 PolarHBondContact O-N 3.47Å; H764-A767 PolarHBondContact O-N 3.28Å; H764-E768 WeakPolarHBondContact O-CB 3.22Å; H764-E768 PolarHBondContact O-N 3.16Å; H764-L787 HydrophobicContact CB-CD1 3.88Å; H764-L787 VanDerWaalsContact CE1-CD2 3.47Å; H764-L787 WeakPolarHBondContact CE1-CD2 3.48Å; H764-L787 WeakPolarHBondContact ND1-CD1 3.17Å
765D88.8Confident89.4Confident110 Ų11058.6 Ų58.659%0.58829%0.292SS*.Hα-helixtrans-67.8-39.3179.5-57.7-35.3000112K763 A767 E768 T769 R784K763-D765 PolarHBondContact O-N 3.14Å; D765-A767 VanDerWaalsContact C-N 3.33Å; D765-E768 PolarHBondContact O-N 2.91Å; D765-T769 WeakPolarHBondContact O-CB 3.47Å; D765-T769 WeakPolarHBondContact O-CG2 3.48Å; D765-T769 PolarHBondContact O-N 3.38Å; D765-T769 PolarHBondContact O-OG1 3.02Å; D765-R784 IonicContact OD1-CZ 2.86Å; D765-R784 IonicContact OD1-NH1 3.63Å; D765-R784 IonicContact OD1-NH2 3.64Å; D765-R784 PolarHBondContact OD1-NH2 3.07Å
766E90.2Very high89.3Confident100 Ų10062.9 Ų62.947%0.46731%0.307SS..Hα-helixtrans-66.2-36.6174.2-67.3-178.6-151.600111.5L758 K763 T769 L770L758-E766 HydrophobicContact CD1-CB 4.13Å; L758-E766 HydrophobicContact CD2-CB 4.3Å; K763-E766 HydrophobicContact CB-CB 4.24Å; K763-E766 HydrophobicContact CB-CG 4.45Å; K763-E766 PolarHBondContact O-N 2.92Å; E766-T769 WeakPolarHBondContact CA-OG1 3.36Å; E766-T769 PolarHBondContact O-OG1 2.92Å; E766-L770 VanDerWaalsContact O-CB 3.29Å; E766-L770 WeakPolarHBondContact O-CB 3.35Å; E766-L770 PolarHBondContact O-N 2.76Å
767A91.1Very high89.1Confident0 Ų063.8 Ų63.80%032%0.316CS..Hα-helixtrans-67.6-43.2175.300000111.9L758 V759 K763 H764 D765 L770 L771 L783L758-A767 HydrophobicContact CB-CB 3.82Å; V759-A767 HydrophobicContact CG2-CB 3.59Å; K763-A767 PolarHBondContact O-N 2.9Å; K763-A767 VanDerWaalsContact O-N 3.11Å; H764-A767 PolarHBondContact O-N 3.28Å; D765-A767 VanDerWaalsContact C-N 3.33Å; A767-L770 PolarHBondContact O-N 2.78Å; A767-L771 WeakPolarHBondContact O-CG 3.4Å; A767-L771 PolarHBondContact O-N 3.21Å; A767-L771 VanDerWaalsContact O-N 3.08Å; A767-L783 HydrophobicContact CB-CD2 3.93Å
768E91.1Very high88.9Confident7 Ų767.1 Ų67.13%0.03333%0.333CS..Hα-helixtrans-61.4-50.5176.6-176.8-172117.700111.2H764 D765 L770 L771 L772 A780 R784 R792H764-E768 WeakPolarHBondContact O-CB 3.22Å; H764-E768 PolarHBondContact O-N 3.16Å; D765-E768 PolarHBondContact O-N 2.91Å; E768-L770 VanDerWaalsContact C-N 3.29Å; E768-L770 PolarHBondContact O-N 3.38Å; E768-L771 PolarHBondContact O-N 3.45Å; E768-L771 VanDerWaalsContact O-N 3.08Å; E768-L772 HydrophobicContact CG-CD1 3.85Å; E768-L772 HydrophobicContact CG-CG 4.27Å; E768-L772 WeakPolarHBondContact O-CG 3.48Å; E768-L772 PolarHBondContact O-N 3.09Å; E768-A780 HydrophobicContact CG-CB 4.3Å; E768-R784 IonicContact OE2-CZ 3.33Å; E768-R784 IonicContact OE2-NE 2.78Å; E768-R784 PolarHBondContact OE2-NE 3Å; E768-R784 IonicContact OE2-NH2 3.98Å; E768-R784 PolarHBondContact OE2-NH2 3.31Å; E768-R792 IonicContact OE1-CZ 2.86Å; E768-R792 VanDerWaalsContact OE1-CZ 3.31Å; E768-R792 IonicContact OE1-NE 2.91Å; E768-R792 PolarHBondContact OE1-NE 2.84Å; E768-R792 VanDerWaalsContact OE1-NE 3.11Å; E768-R792 IonicContact OE1-NH2 3.16Å; E768-R792 PolarHBondContact OE1-NH2 3.25Å; E768-R792 IonicContact OE2-NE 3.97Å; E768-R792 PolarHBondContact OE2-NE 2.85Å
769T91.4Very high88.8Confident69 Ų6967.6 Ų67.642%0.42334%0.336SS..Hα-helixtrans-61-38.1178.4490000111.9D765 E766 L771 N773D765-T769 WeakPolarHBondContact O-CB 3.47Å; D765-T769 WeakPolarHBondContact O-CG2 3.48Å; D765-T769 PolarHBondContact O-N 3.38Å; D765-T769 PolarHBondContact O-OG1 3.02Å; E766-T769 WeakPolarHBondContact CA-OG1 3.36Å; E766-T769 PolarHBondContact O-OG1 2.92Å; T769-L771 PolarHBondContact O-N 2.93Å; T769-N773 VanDerWaalsContact O-CB 3.23Å; T769-N773 WeakPolarHBondContact O-CB 3.37Å; T769-N773 PolarHBondContact O-N 3.14Å; T769-N773 PolarHBondContact O-ND2 3.26Å
770L90.7Very high88.7Confident36 Ų3666.5 Ų66.519%0.18833%0.33CS..Hα-helixtrans-61.3-41.4173.5-17669.8000112.2L751 K754 A755 L758 E766 A767 E768 N774L751-L770 HydrophobicContact CD2-CG 4.47Å; K754-L770 HydrophobicContact CB-CD2 4Å; K754-L770 HydrophobicContact CD-CD2 4.06Å; K754-L770 HydrophobicContact CG-CD2 3.92Å; A755-L770 HydrophobicContact CB-CD2 4.14Å; L758-L770 HydrophobicContact CD1-CD2 4.04Å; E766-L770 VanDerWaalsContact O-CB 3.29Å; E766-L770 WeakPolarHBondContact O-CB 3.35Å; E766-L770 PolarHBondContact O-N 2.76Å; A767-L770 PolarHBondContact O-N 2.78Å; E768-L770 VanDerWaalsContact C-N 3.29Å; E768-L770 PolarHBondContact O-N 3.38Å; L770-N774 PolarHBondContact O-ND2 3.46Å
771L90Very high88.7Confident7 Ų763.6 Ų63.64%0.03732%0.32CS..Hα-helixtrans-71.4-43.3178.7-69.3170.1000112L751 A755 A767 E768 T769 N774 D775 R776 L779 A780 L783L751-L771 HydrophobicContact CD2-CD2 3.99Å; A755-L771 HydrophobicContact CB-CD1 4.36Å; A755-L771 HydrophobicContact CB-CD2 3.98Å; A755-L771 HydrophobicContact CB-CG 4.05Å; A767-L771 WeakPolarHBondContact O-CG 3.4Å; A767-L771 PolarHBondContact O-N 3.21Å; A767-L771 VanDerWaalsContact O-N 3.08Å; E768-L771 PolarHBondContact O-N 3.45Å; E768-L771 VanDerWaalsContact O-N 3.08Å; T769-L771 PolarHBondContact O-N 2.93Å; L771-N774 CarbonylContact O-C 3.54Å; L771-N774 PolarHBondContact O-N 3Å; L771-D775 PolarHBondContact O-N 3.46Å; L771-R776 HydrophobicContact CB-CB 4.45Å; L771-R776 HydrophobicContact CD2-CB 4.29Å; L771-R776 PolarHBondContact O-N 2.89Å; L771-L779 HydrophobicContact CD1-CB 4.06Å; L771-L779 HydrophobicContact CD2-CB 4.07Å; L771-L779 HydrophobicContact CD2-CD1 4.11Å; L771-A780 HydrophobicContact CB-CB 4.23Å; L771-L783 HydrophobicContact CD1-CD2 4.19Å
772L89.3Confident88.8Confident54 Ų5466.9 Ų66.928%0.28334%0.336SS..Hα-helixtrans-63.9-43.1177.8-69.8175.3000112.1E768 N774 D775 A780 L796E768-L772 HydrophobicContact CG-CD1 3.85Å; E768-L772 HydrophobicContact CG-CG 4.27Å; E768-L772 WeakPolarHBondContact O-CG 3.48Å; E768-L772 PolarHBondContact O-N 3.09Å; L772-N774 PolarHBondContact O-N 3.26Å; L772-N774 VanDerWaalsContact O-N 3.08Å; L772-D775 PolarHBondContact O-N 2.91Å; L772-D775 VanDerWaalsContact O-N 3.14Å; L772-A780 HydrophobicContact CD2-CB 4.05Å; L772-A780 HydrophobicContact CG-CB 4.25Å; L772-L796 HydrophobicContact CD1-CD2 4.26Å
773N89.9Confident89Confident132 Ų13258.9 Ų58.971%0.70630%0.301SS*.THydrogen-bonded Turntrans-65.4-11178.2-72.8-17.2000113.9T769T769-N773 VanDerWaalsContact O-CB 3.23Å; T769-N773 WeakPolarHBondContact O-CB 3.37Å; T769-N773 PolarHBondContact O-N 3.14Å; T769-N773 PolarHBondContact O-ND2 3.26Å
774N88.2Confident89.1Confident77 Ų7756.1 Ų56.141%0.41229%0.289SS..THydrogen-bonded Turntrans-119.226.5178.3-69.3-91.7000111.9L751 L770 L771 L772 R776L751-N774 HydrophobicContact CD1-CB 3.46Å; L751-N774 VanDerWaalsContact CD1-CB 3.46Å; L751-N774 VanDerWaalsContact CD1-OD1 3.31Å; L751-N774 WeakPolarHBondContact CD1-OD1 3.35Å; L770-N774 PolarHBondContact O-ND2 3.46Å; L771-N774 CarbonylContact O-C 3.54Å; L771-N774 PolarHBondContact O-N 3Å; L772-N774 PolarHBondContact O-N 3.26Å; L772-N774 VanDerWaalsContact O-N 3.08Å; N774-R776 VanDerWaalsContact C-N 3.26Å; N774-R776 PolarHBondContact O-N 3.49Å
775D84.6Confident89.1Confident149 Ų14957.4 Ų57.480%0.79729%0.294SS*.THydrogen-bonded Turntrans5830.3174.7-56.2-38.5000114.7L771 L772L771-D775 PolarHBondContact O-N 3.46Å; L772-D775 PolarHBondContact O-N 2.91Å; L772-D775 VanDerWaalsContact O-N 3.14Å
776R87.4Confident89.1Confident95 Ų9557.5 Ų57.536%0.35829%0.286SS..  trans-108.657.5176.4-62.6-56.7-59.9-111.42.1112.1L771 N774 D778 L779 A780L771-R776 HydrophobicContact CB-CB 4.45Å; L771-R776 HydrophobicContact CD2-CB 4.29Å; L771-R776 PolarHBondContact O-N 2.89Å; N774-R776 VanDerWaalsContact C-N 3.26Å; N774-R776 PolarHBondContact O-N 3.49Å; R776-D778 VanDerWaalsContact C-N 3.27Å; R776-D778 VanDerWaalsContact C-OD1 3.25Å; R776-D778 WeakPolarHBondContact CA-OD1 3.2Å; R776-D778 IonicContact CZ-OD1 3.82Å; R776-D778 IonicContact CZ-OD2 2.71Å; R776-D778 IonicContact NE-OD1 2.71Å; R776-D778 PolarHBondContact NE-OD1 2.88Å; R776-D778 VanDerWaalsContact NE-OD1 3.14Å; R776-D778 IonicContact NE-OD2 2.74Å; R776-D778 IonicContact NH2-OD1 3.89Å; R776-D778 IonicContact NH2-OD2 2.69Å; R776-D778 PolarHBondContact NH2-OD2 2.92Å; R776-D778 PolarHBondContact O-N 2.97Å; R776-L779 HydrophobicContact CB-CB 4.34Å; R776-L779 HydrophobicContact CB-CD1 4.15Å; R776-L779 HydrophobicContact CB-CG 4.4Å; R776-L779 HydrophobicContact CG-CD1 4.36Å; R776-L779 PolarHBondContact O-N 3.15Å; R776-A780 PolarHBondContact O-N 2.95Å
777S86.6Confident88.9Confident39 Ų3956 Ų5627%0.27328%0.281SS..Hα-helixtrans-63.2-31.8177.9520000113.1L779 A780 V781S777-L779 PolarHBondContact O-N 2.79Å; S777-A780 PolarHBondContact O-N 2.85Å; S777-V781 WeakPolarHBondContact O-CG2 3.28Å; S777-V781 PolarHBondContact O-N 3.11Å
778D87.4Confident88.7Confident76 Ų7657.9 Ų57.941%0.40630%0.3SS..Hα-helixtrans-52.4-52.417262.3-37.7000111.8R776 A780 V781 E782R776-D778 VanDerWaalsContact C-N 3.27Å; R776-D778 VanDerWaalsContact C-OD1 3.25Å; R776-D778 WeakPolarHBondContact CA-OD1 3.2Å; R776-D778 IonicContact CZ-OD1 3.82Å; R776-D778 IonicContact CZ-OD2 2.71Å; R776-D778 IonicContact NE-OD1 2.71Å; R776-D778 PolarHBondContact NE-OD1 2.88Å; R776-D778 VanDerWaalsContact NE-OD1 3.14Å; R776-D778 IonicContact NE-OD2 2.74Å; R776-D778 IonicContact NH2-OD1 3.89Å; R776-D778 IonicContact NH2-OD2 2.69Å; R776-D778 PolarHBondContact NH2-OD2 2.92Å; R776-D778 PolarHBondContact O-N 2.97Å; D778-A780 VanDerWaalsContact C-N 3.34Å; D778-A780 PolarHBondContact O-N 2.9Å; D778-V781 PolarHBondContact O-N 3.05Å; D778-E782 PolarHBondContact O-N 2.99Å
779L88.7Confident88.5Confident32 Ų3259.8 Ų59.817%0.16831%0.31CS..Hα-helixtrans-71-30.3-179.5-64.5-179.3000112.3I752 L771 R776 S777 L783I752-L779 HydrophobicContact CD1-CD1 3.93Å; I752-L779 HydrophobicContact CG1-CD1 4.08Å; L771-L779 HydrophobicContact CD1-CB 4.06Å; L771-L779 HydrophobicContact CD2-CB 4.07Å; L771-L779 HydrophobicContact CD2-CD1 4.11Å; R776-L779 HydrophobicContact CB-CB 4.34Å; R776-L779 HydrophobicContact CB-CD1 4.15Å; R776-L779 HydrophobicContact CB-CG 4.4Å; R776-L779 HydrophobicContact CG-CD1 4.36Å; R776-L779 PolarHBondContact O-N 3.15Å; S777-L779 PolarHBondContact O-N 2.79Å; L779-L783 WeakPolarHBondContact O-CB 3.24Å; L779-L783 PolarHBondContact O-N 2.86Å
780A88.9Confident88.5Confident0 Ų058.8 Ų58.80%030%0.299CS..Hα-helixtrans-67.6-42.3175.800000111.6E768 L771 L772 R776 S777 D778 L783 R784E768-A780 HydrophobicContact CG-CB 4.3Å; L771-A780 HydrophobicContact CB-CB 4.23Å; L772-A780 HydrophobicContact CD2-CB 4.05Å; L772-A780 HydrophobicContact CG-CB 4.25Å; R776-A780 PolarHBondContact O-N 2.95Å; S777-A780 PolarHBondContact O-N 2.85Å; D778-A780 VanDerWaalsContact C-N 3.34Å; D778-A780 PolarHBondContact O-N 2.9Å; A780-L783 PolarHBondContact O-N 3.34Å; A780-R784 PolarHBondContact O-N 2.89Å; A780-R784 VanDerWaalsContact O-N 3.14Å
781V88.8Confident88.5Confident20 Ų2060.4 Ų60.412%0.12130%0.304CS..Hα-helixtrans-65.2-46.7174173.20000110.7S777 D778 L783 R784 K785 V793 L796 T797 I802S777-V781 WeakPolarHBondContact O-CG2 3.28Å; S777-V781 PolarHBondContact O-N 3.11Å; D778-V781 PolarHBondContact O-N 3.05Å; V781-L783 VanDerWaalsContact C-N 3.29Å; V781-L783 PolarHBondContact O-N 3.31Å; V781-R784 PolarHBondContact O-N 2.99Å; V781-K785 WeakPolarHBondContact O-CB 3.49Å; V781-K785 PolarHBondContact O-N 3.29Å; V781-V793 HydrophobicContact CG1-CG1 4.24Å; V781-L796 HydrophobicContact CG2-CB 3.86Å; V781-T797 HydrophobicContact CG1-CG2 4.05Å; V781-T797 HydrophobicContact CG2-CG2 4.3Å; V781-I802 HydrophobicContact CG2-CD1 4.02Å
782E88.7Confident88.4Confident103 Ų10363 Ų6348%0.48131%0.314SS..Hα-helixtrans-61.3-38.1177.1-171-176.7175.700112D778 K785 R786D778-E782 PolarHBondContact O-N 2.99Å; E782-K785 PolarHBondContact O-N 2.72Å; E782-R786 WeakPolarHBondContact O-CG 3.2Å; E782-R786 PolarHBondContact O-N 2.82Å
783L89.3Confident88.4Confident4 Ų460.6 Ų60.62%0.02130%0.301CS..Hα-helixtrans-59.4-51.5175.2173.661.6000111.4V759 A767 L771 L779 A780 V781 K785 R786 L787V759-L783 HydrophobicContact CB-CD1 4.29Å; V759-L783 HydrophobicContact CG1-CD1 3.9Å; V759-L783 HydrophobicContact CG2-CD1 3.35Å; V759-L783 HydrophobicContact CG2-CD2 3.82Å; V759-L783 HydrophobicContact CG2-CG 4.22Å; A767-L783 HydrophobicContact CB-CD2 3.93Å; L771-L783 HydrophobicContact CD1-CD2 4.19Å; L779-L783 WeakPolarHBondContact O-CB 3.24Å; L779-L783 PolarHBondContact O-N 2.86Å; A780-L783 PolarHBondContact O-N 3.34Å; V781-L783 VanDerWaalsContact C-N 3.29Å; V781-L783 PolarHBondContact O-N 3.31Å; L783-K785 VanDerWaalsContact C-N 3.32Å; L783-K785 PolarHBondContact O-N 2.66Å; L783-R786 PolarHBondContact O-N 2.85Å; L783-L787 HydrophobicContact CD1-CD1 4.28Å; L783-L787 HydrophobicContact CG-CD1 4.3Å; L783-L787 WeakPolarHBondContact O-CG 3.49Å; L783-L787 PolarHBondContact O-N 3.18Å; L783-L787 VanDerWaalsContact O-N 3.14Å
784R91Very high88.4Confident19 Ų1955.6 Ų55.67%0.07228%0.278CS..Hα-helixtrans-66.5-35.3179.5-72-69.7-175169-3112.5D765 E768 A780 V781 L787 G788 D789 R792 V793 L796D765-R784 IonicContact OD1-CZ 2.86Å; D765-R784 IonicContact OD1-NH1 3.63Å; D765-R784 IonicContact OD1-NH2 3.64Å; D765-R784 PolarHBondContact OD1-NH2 3.07Å; E768-R784 IonicContact OE2-CZ 3.33Å; E768-R784 IonicContact OE2-NE 2.78Å; E768-R784 PolarHBondContact OE2-NE 3Å; E768-R784 IonicContact OE2-NH2 3.98Å; E768-R784 PolarHBondContact OE2-NH2 3.31Å; A780-R784 PolarHBondContact O-N 2.89Å; A780-R784 VanDerWaalsContact O-N 3.14Å; V781-R784 PolarHBondContact O-N 2.99Å; R784-L787 PolarHBondContact O-N 3.45Å; R784-G788 PolarHBondContact O-N 3.37Å; R784-G788 VanDerWaalsContact O-N 3.16Å; R784-D789 IonicContact CZ-OD2 2.88Å; R784-D789 IonicContact NE-OD2 2.8Å; R784-D789 IonicContact NH1-OD2 3.34Å; R784-D789 PolarHBondContact NH1-OD2 3.4Å; R784-D789 PolarHBondContact O-N 2.83Å; R784-D789 VanDerWaalsContact O-N 3.09Å; R784-R792 HydrophobicContact CG-CB 4.25Å; R784-R792 HydrophobicContact CG-CG 3.89Å; R784-V793 HydrophobicContact CB-CG2 3.6Å; R784-L796 HydrophobicContact CB-CD1 4.45Å; R784-L796 HydrophobicContact CG-CD1 3.86Å
785K89.6Confident88.4Confident77 Ų7756.4 Ų56.434%0.33528%0.28SS..Hα-helixtrans-61.5-44172.8-170.1174.1-178.9174.30111.5V781 E782 L783 L787 G788 W790 V793 E811V781-K785 WeakPolarHBondContact O-CB 3.49Å; V781-K785 PolarHBondContact O-N 3.29Å; E782-K785 PolarHBondContact O-N 2.72Å; L783-K785 VanDerWaalsContact C-N 3.32Å; L783-K785 PolarHBondContact O-N 2.66Å; K785-L787 VanDerWaalsContact C-N 3.26Å; K785-L787 PolarHBondContact O-N 3Å; K785-G788 PolarHBondContact O-N 3.27Å; K785-G788 VanDerWaalsContact O-N 3.11Å; K785-W790 HydrophobicContact CD-CH2 4.47Å; K785-W790 HydrophobicContact CD-CZ3 4.36Å; K785-W790 HydrophobicContact CG-CH2 3.91Å; K785-W790 HydrophobicContact CG-CZ3 3.91Å; K785-V793 HydrophobicContact CB-CG2 4.15Å; K785-E811 WeakPolarHBondContact CE-OE1 3.36Å; K785-E811 IonicContact NZ-OE1 3.16Å; K785-E811 PolarHBondContact NZ-OE1 2.67Å; K785-E811 IonicContact NZ-OE2 2.6Å; K785-E811 PolarHBondContact NZ-OE2 2.72Å
786R89Confident88.5Confident111 Ų11149.5 Ų49.542%0.41924%0.243SC..Hα-helixtrans-62.5-30.1174.2-77.4-169.7-72.4160-13.5113.4R743 E756 E782 L783 G788R743-R786 VanDerWaalsContact NH2-NH1 3.16Å; E756-R786 IonicContact OE1-CZ 3.43Å; E756-R786 IonicContact OE1-NH1 3.55Å; E756-R786 PolarHBondContact OE1-NH1 3.35Å; E756-R786 IonicContact OE1-NH2 3.54Å; E756-R786 PolarHBondContact OE1-NH2 2.89Å; E756-R786 IonicContact OE2-NH1 3.09Å; E782-R786 WeakPolarHBondContact O-CG 3.2Å; E782-R786 PolarHBondContact O-N 2.82Å; L783-R786 PolarHBondContact O-N 2.85Å; R786-G788 VanDerWaalsContact C-N 3.32Å
787L85.6Confident88.5Confident70 Ų7045.8 Ų45.837%0.36623%0.23SC..Hα-helixtrans-81.6-10176.8-65.7169.8000113.2H764 L783 R784 K785 D789H764-L787 HydrophobicContact CB-CD1 3.88Å; H764-L787 VanDerWaalsContact CE1-CD2 3.47Å; H764-L787 WeakPolarHBondContact CE1-CD2 3.48Å; H764-L787 WeakPolarHBondContact ND1-CD1 3.17Å; L783-L787 HydrophobicContact CD1-CD1 4.28Å; L783-L787 HydrophobicContact CG-CD1 4.3Å; L783-L787 WeakPolarHBondContact O-CG 3.49Å; L783-L787 PolarHBondContact O-N 3.18Å; L783-L787 VanDerWaalsContact O-N 3.14Å; R784-L787 PolarHBondContact O-N 3.45Å; K785-L787 VanDerWaalsContact C-N 3.26Å; K785-L787 PolarHBondContact O-N 3Å; L787-D789 VanDerWaalsContact C-N 3.27Å; L787-D789 PolarHBondContact O-N 3.18Å
788G86Confident88.4Confident38 Ų3852.3 Ų52.339%0.39225%0.254SS..THydrogen-bonded Turntrans73.116-174.400000114.1R784 K785 R786 W790R784-G788 PolarHBondContact O-N 3.37Å; R784-G788 VanDerWaalsContact O-N 3.16Å; K785-G788 PolarHBondContact O-N 3.27Å; K785-G788 VanDerWaalsContact O-N 3.11Å; R786-G788 VanDerWaalsContact C-N 3.32Å; G788-W790 VanDerWaalsContact C-N 3.26Å; G788-W790 PolarHBondContact O-N 2.86Å
789D88Confident88.3Confident48 Ų4853.8 Ų53.826%0.25726%0.262SS..  trans-84.369.7179.2-173.7-3.8000110.6R784 L787 F791 R792 V793R784-D789 IonicContact CZ-OD2 2.88Å; R784-D789 IonicContact NE-OD2 2.8Å; R784-D789 IonicContact NH1-OD2 3.34Å; R784-D789 PolarHBondContact NH1-OD2 3.4Å; R784-D789 PolarHBondContact O-N 2.83Å; R784-D789 VanDerWaalsContact O-N 3.09Å; L787-D789 VanDerWaalsContact C-N 3.27Å; L787-D789 PolarHBondContact O-N 3.18Å; D789-F791 PolarHBondContact O-N 3.48Å; D789-R792 HydrophobicContact CB-CB 4.41Å; D789-R792 VanDerWaalsContact CG-CB 3.45Å; D789-R792 PolarHBondContact O-N 2.82Å; D789-R792 WeakPolarHBondContact OD1-CB 3.15Å; D789-R792 PolarHBondContact OD1-N 2.88Å; D789-R792 VanDerWaalsContact OD2-CB 3.29Å; D789-R792 WeakPolarHBondContact OD2-CB 3.4Å; D789-V793 WeakPolarHBondContact O-CG2 3.47Å; D789-V793 PolarHBondContact O-N 2.56Å
790W90.4Very high87.8Confident47 Ų4754.7 Ų54.718%0.17827%0.269CS..Hα-helixtrans-63.1-27.6-173.4-61.3108000113.6K785 G788 V793 A794 E811 I812 G815 I816K785-W790 HydrophobicContact CD-CH2 4.47Å; K785-W790 HydrophobicContact CD-CZ3 4.36Å; K785-W790 HydrophobicContact CG-CH2 3.91Å; K785-W790 HydrophobicContact CG-CZ3 3.91Å; G788-W790 VanDerWaalsContact C-N 3.26Å; G788-W790 PolarHBondContact O-N 2.86Å; W790-V793 PolarHBondContact O-N 3.45Å; W790-A794 WeakPolarHBondContact O-CB 3.38Å; W790-A794 PolarHBondContact O-N 3.37Å; W790-E811 HydrophobicContact CH2-CG 4.01Å; W790-E811 HydrophobicContact CZ3-CG 4.26Å; W790-I812 HydrophobicContact CE3-CG1 4.38Å; W790-G815 VanDerWaalsContact CD1-CA 3.5Å; W790-G815 VanDerWaalsContact CD1-O 3.3Å; W790-I816 HydrophobicContact CB-CG1 3.66Å
791F91Very high87.2Confident70 Ų7057.6 Ų57.631%0.30730%0.299SS..Hα-helixtrans-65.4-48.4174-65.7-83.4000111.2D789 V793 A794 Q795 I816 Y819 Y820D789-F791 PolarHBondContact O-N 3.48Å; F791-V793 VanDerWaalsContact C-N 3.31Å; F791-V793 PolarHBondContact O-N 2.7Å; F791-A794 PolarHBondContact O-N 3.31Å; F791-Q795 PolarHBondContact O-N 3.32Å; F791-Q795 VanDerWaalsContact O-N 3.08Å; F791-I816 HydrophobicContact CD1-CD1 4.46Å; F791-I816 HydrophobicContact CD1-CG2 4.46Å; F791-I816 HydrophobicContact CE1-CG2 3.71Å; F791-I816 HydrophobicContact CE2-CG2 4.5Å; F791-I816 HydrophobicContact CZ-CG2 3.73Å; F791-Y819 AromaticContact CE2-CD1 3.42Å; F791-Y819 HydrophobicContact CE2-CD1 3.42Å; F791-Y819 VanDerWaalsContact CE2-CD1 3.42Å; F791-Y819 HydrophobicContact CE2-CD2 4.15Å; F791-Y819 AromaticContact CE2-CE1 3.61Å; F791-Y819 HydrophobicContact CE2-CE1 3.61Å; F791-Y819 HydrophobicContact CE2-CE2 4.31Å; F791-Y819 AromaticContact CE2-CG 3.69Å; F791-Y819 HydrophobicContact CE2-CG 3.69Å; F791-Y819 AromaticContact CZ-CD1 3.64Å; F791-Y819 HydrophobicContact CZ-CD1 3.64Å; F791-Y819 AromaticContact CZ-CE1 3.87Å; F791-Y819 HydrophobicContact CZ-CE1 3.87Å; F791-Y819 HydrophobicContact CZ-CG 4.3Å; F791-Y820 HydrophobicContact CE1-CE2 4.03Å; F791-Y820 AromaticContact CZ-CE2 3.66Å; F791-Y820 HydrophobicContact CZ-CE2 3.66Å; F791-Y820 AromaticContact CZ-CZ 3.78Å
792R88.8Confident86.5Confident62 Ų6259.7 Ų59.723%0.23431%0.309CS..Hα-helixtrans-68.2-33.1177.3-169.759.9177.7162.73.8111.7E768 R784 D789 Q795 L796E768-R792 IonicContact OE1-CZ 2.86Å; E768-R792 VanDerWaalsContact OE1-CZ 3.31Å; E768-R792 IonicContact OE1-NE 2.91Å; E768-R792 PolarHBondContact OE1-NE 2.84Å; E768-R792 VanDerWaalsContact OE1-NE 3.11Å; E768-R792 IonicContact OE1-NH2 3.16Å; E768-R792 PolarHBondContact OE1-NH2 3.25Å; E768-R792 IonicContact OE2-NE 3.97Å; E768-R792 PolarHBondContact OE2-NE 2.85Å; R784-R792 HydrophobicContact CG-CB 4.25Å; R784-R792 HydrophobicContact CG-CG 3.89Å; D789-R792 HydrophobicContact CB-CB 4.41Å; D789-R792 VanDerWaalsContact CG-CB 3.45Å; D789-R792 PolarHBondContact O-N 2.82Å; D789-R792 WeakPolarHBondContact OD1-CB 3.15Å; D789-R792 PolarHBondContact OD1-N 2.88Å; D789-R792 VanDerWaalsContact OD2-CB 3.29Å; D789-R792 WeakPolarHBondContact OD2-CB 3.4Å; R792-Q795 PolarHBondContact O-N 2.99Å; R792-L796 HydrophobicContact CG-CD1 4.05Å; R792-L796 HydrophobicContact CG-CG 4.22Å; R792-L796 WeakPolarHBondContact O-CB 3.32Å; R792-L796 VanDerWaalsContact O-CG 3.3Å; R792-L796 WeakPolarHBondContact O-CG 3.27Å; R792-L796 PolarHBondContact O-N 2.86Å
793V89.6Confident85.7Confident3 Ų363.1 Ų63.12%0.01833%0.329CS..Hα-helixtrans-60.1-47.3172.11730000111.4V781 R784 K785 D789 W790 F791 Q795 L796 T797 I812V781-V793 HydrophobicContact CG1-CG1 4.24Å; R784-V793 HydrophobicContact CB-CG2 3.6Å; K785-V793 HydrophobicContact CB-CG2 4.15Å; D789-V793 WeakPolarHBondContact O-CG2 3.47Å; D789-V793 PolarHBondContact O-N 2.56Å; W790-V793 PolarHBondContact O-N 3.45Å; F791-V793 VanDerWaalsContact C-N 3.31Å; F791-V793 PolarHBondContact O-N 2.7Å; V793-Q795 VanDerWaalsContact C-N 3.29Å; V793-Q795 PolarHBondContact O-N 2.82Å; V793-L796 PolarHBondContact O-N 2.56Å; V793-T797 WeakPolarHBondContact O-CB 3.47Å; V793-T797 WeakPolarHBondContact O-CG2 3.43Å; V793-T797 PolarHBondContact O-N 2.51Å; V793-T797 PolarHBondContact O-OG1 3.36Å; V793-I812 HydrophobicContact CG1-CD1 3.78Å; V793-I812 HydrophobicContact CG1-CG1 3.94Å
794A88.4Confident84.9Confident28 Ų2865.7 Ų65.723%0.23134%0.342CS..Hα-helixtrans-61.6-37.9177.400000112.2W790 F791 T797 K798 I812 I816W790-A794 WeakPolarHBondContact O-CB 3.38Å; W790-A794 PolarHBondContact O-N 3.37Å; F791-A794 PolarHBondContact O-N 3.31Å; A794-T797 WeakPolarHBondContact CA-OG1 3.04Å; A794-T797 PolarHBondContact O-OG1 3.3Å; A794-T797 VanDerWaalsContact O-OG1 3.04Å; A794-K798 WeakPolarHBondContact O-CB 3.42Å; A794-K798 PolarHBondContact O-N 2.71Å; A794-I812 HydrophobicContact CB-CG2 3.78Å; A794-I816 HydrophobicContact CB-CD1 4.34Å
795Q89Confident84.5Confident94 Ų9472 Ų7244%0.43937%0.37SS..Hα-helixtrans-70.6-48.3176.7-171.7177.87.900112.1F791 R792 V793 T797 K798 D799F791-Q795 PolarHBondContact O-N 3.32Å; F791-Q795 VanDerWaalsContact O-N 3.08Å; R792-Q795 PolarHBondContact O-N 2.99Å; V793-Q795 VanDerWaalsContact C-N 3.29Å; V793-Q795 PolarHBondContact O-N 2.82Å; Q795-T797 PolarHBondContact O-N 2.95Å; Q795-K798 PolarHBondContact O-N 2.86Å; Q795-D799 WeakPolarHBondContact CG-OD2 3.47Å; Q795-D799 WeakPolarHBondContact O-CB 3.39Å; Q795-D799 VanDerWaalsContact O-CG 3.29Å; Q795-D799 PolarHBondContact O-N 3.48Å
796L86.7Confident84.1Confident4 Ų474.8 Ų74.82%0.02139%0.389CS..Hα-helixtrans-62.3-41.8-179.3-75173000111.9L772 V781 R784 R792 V793 K798 D799 T800L772-L796 HydrophobicContact CD1-CD2 4.26Å; V781-L796 HydrophobicContact CG2-CB 3.86Å; R784-L796 HydrophobicContact CB-CD1 4.45Å; R784-L796 HydrophobicContact CG-CD1 3.86Å; R792-L796 HydrophobicContact CG-CD1 4.05Å; R792-L796 HydrophobicContact CG-CG 4.22Å; R792-L796 WeakPolarHBondContact O-CB 3.32Å; R792-L796 VanDerWaalsContact O-CG 3.3Å; R792-L796 WeakPolarHBondContact O-CG 3.27Å; R792-L796 PolarHBondContact O-N 2.86Å; V793-L796 PolarHBondContact O-N 2.56Å; L796-K798 VanDerWaalsContact C-N 3.3Å; L796-K798 PolarHBondContact O-N 3.32Å; L796-D799 PolarHBondContact O-N 2.84Å; L796-T800 VanDerWaalsContact O-CB 3.31Å; L796-T800 WeakPolarHBondContact O-CB 3.21Å; L796-T800 VanDerWaalsContact O-CG2 3.32Å; L796-T800 WeakPolarHBondContact O-CG2 3.45Å; L796-T800 PolarHBondContact O-N 3.41Å; L796-T800 PolarHBondContact O-OG1 3.25Å
797T86.2Confident83.9Confident16 Ų1676.6 Ų76.610%0.09841%0.406CS..Hα-helixtrans-62.3-38.2176.944.80000111.9V781 V793 A794 Q795 G801 I802 M804 I812V781-T797 HydrophobicContact CG1-CG2 4.05Å; V781-T797 HydrophobicContact CG2-CG2 4.3Å; V793-T797 WeakPolarHBondContact O-CB 3.47Å; V793-T797 WeakPolarHBondContact O-CG2 3.43Å; V793-T797 PolarHBondContact O-N 2.51Å; V793-T797 PolarHBondContact O-OG1 3.36Å; A794-T797 WeakPolarHBondContact CA-OG1 3.04Å; A794-T797 PolarHBondContact O-OG1 3.3Å; A794-T797 VanDerWaalsContact O-OG1 3.04Å; Q795-T797 PolarHBondContact O-N 2.95Å; T797-G801 PolarHBondContact O-N 2.61Å; T797-I802 PolarHBondContact O-N 2.89Å; T797-M804 HydrophobicContact CG2-CE 4.27Å; T797-M804 HydrophobicContact CG2-CG 4.18Å; T797-M804 HydrophobicContact CG2-SD 3.86Å; T797-I812 HydrophobicContact CG2-CD1 4.44Å
798K85.5Confident83.7Confident177 Ų17776.7 Ų76.777%0.7740%0.404SS*.Hα-helixtrans-69.1-45174.4-170.7179.3180-178.60112.9A794 Q795 L796A794-K798 WeakPolarHBondContact O-CB 3.42Å; A794-K798 PolarHBondContact O-N 2.71Å; Q795-K798 PolarHBondContact O-N 2.86Å; L796-K798 VanDerWaalsContact C-N 3.3Å; L796-K798 PolarHBondContact O-N 3.32Å
799D84.7Confident83.7Confident107 Ų10779.5 Ų79.557%0.57241%0.407SS*.Hα-helixtrans-73.4-32.9-175.1-69.7-11000112.3Q795 L796Q795-D799 WeakPolarHBondContact CG-OD2 3.47Å; Q795-D799 WeakPolarHBondContact O-CB 3.39Å; Q795-D799 VanDerWaalsContact O-CG 3.29Å; Q795-D799 PolarHBondContact O-N 3.48Å; L796-D799 PolarHBondContact O-N 2.84Å
800T78.7Confident83.8Confident50 Ų5078.4 Ų78.431%0.30741%0.405SS..Hα-helixtrans-90.8-10.3-177.759.50000113.8L796 I802L796-T800 VanDerWaalsContact O-CB 3.31Å; L796-T800 WeakPolarHBondContact O-CB 3.21Å; L796-T800 VanDerWaalsContact O-CG2 3.32Å; L796-T800 WeakPolarHBondContact O-CG2 3.45Å; L796-T800 PolarHBondContact O-N 3.41Å; L796-T800 PolarHBondContact O-OG1 3.25Å; T800-I802 VanDerWaalsContact C-N 3.34Å; T800-I802 PolarHBondContact O-N 2.92Å; T800-I802 VanDerWaalsContact OG1-CD1 3.31Å; T800-I802 WeakPolarHBondContact OG1-CD1 3.49Å; T800-I802 WeakPolarHBondContact OG1-CG1 3.48Å
801G76.7Confident83.8Confident62 Ų6279.9 Ų79.964%0.63941%0.414SS*.THydrogen-bonded Turntrans70.823.3178.400000114.8T797 L803T797-G801 PolarHBondContact O-N 2.61Å; G801-L803 PolarHBondContact O-N 3.11Å
802I73.6Confident83.8Confident63 Ų6377 Ų7732%0.32340%0.402SS..  trans-69.8119.7178.2-64.6168.1000109.3V781 T797 T800 M804V781-I802 HydrophobicContact CG2-CD1 4.02Å; T797-I802 PolarHBondContact O-N 2.89Å; T800-I802 VanDerWaalsContact C-N 3.34Å; T800-I802 PolarHBondContact O-N 2.92Å; T800-I802 VanDerWaalsContact OG1-CD1 3.31Å; T800-I802 WeakPolarHBondContact OG1-CD1 3.49Å; T800-I802 WeakPolarHBondContact OG1-CG1 3.48Å; I802-M804 PolarHBondContact O-N 3.39Å
803L72.4Confident84.1Confident175 Ų17577.3 Ų77.392%0.91640%0.403SS*.  trans-68.7111.5174.5-85.3149.3000110.3G801G801-L803 PolarHBondContact O-N 3.11Å
804M72.7Confident84.2Confident58 Ų5878.4 Ų78.429%0.28641%0.409SS..  trans-97.6146-179.4-68.6-92.9-69.200111T797 I802 E808 I812T797-M804 HydrophobicContact CG2-CE 4.27Å; T797-M804 HydrophobicContact CG2-CG 4.18Å; T797-M804 HydrophobicContact CG2-SD 3.86Å; I802-M804 PolarHBondContact O-N 3.39Å; M804-E808 HydrophobicContact CE-CB 3.52Å; M804-E808 HydrophobicContact SD-CB 4.08Å; M804-I812 HydrophobicContact CE-CD1 3.26Å; M804-I812 HydrophobicContact CE-CG1 4.05Å
805K81.3Confident84.3Confident151 Ų15177.3 Ų77.366%0.65740%0.4SS*.  trans-77.3153170.7-65.1175.1-176.6170.60110.2L807 E808 Q809K805-L807 PolarHBondContact O-N 2.99Å; K805-E808 HydrophobicContact CB-CG 4.4Å; K805-E808 PolarHBondContact N-OE2 3.42Å; K805-E808 VanDerWaalsContact N-OE2 3.14Å; K805-E808 WeakPolarHBondContact O-CA 3.24Å; K805-E808 WeakPolarHBondContact O-CB 3.31Å; K805-E808 PolarHBondContact O-N 3.42Å; K805-Q809 PolarHBondContact O-N 3.24Å
806D81.7Confident84.5Confident137 Ų13773 Ų7373%0.73338%0.38SS*.Hα-helixtrans-51.6-37.3179.1-62.5-14.1000113Q809 A810D806-Q809 PolarHBondContact O-N 3.48Å; D806-A810 WeakPolarHBondContact O-CB 3.18Å; D806-A810 PolarHBondContact O-N 2.64Å
807L84.6Confident84.8Confident148 Ų14872.8 Ų72.878%0.77538%0.379SS*.Hα-helixtrans-64.6-40.5176.9-167.973.7000112.6K805 Q809 A810 E811K805-L807 PolarHBondContact O-N 2.99Å; L807-Q809 VanDerWaalsContact C-N 3.35Å; L807-A810 PolarHBondContact O-N 3.28Å; L807-E811 PolarHBondContact O-N 2.8Å
808E82.9Confident85.1Confident73 Ų7375 Ų7534%0.34139%0.39SS..Hα-helixtrans-73.1-32.4178.8-62.8171.216200110.7M804 K805 E811 I812M804-E808 HydrophobicContact CE-CB 3.52Å; M804-E808 HydrophobicContact SD-CB 4.08Å; K805-E808 HydrophobicContact CB-CG 4.4Å; K805-E808 PolarHBondContact N-OE2 3.42Å; K805-E808 VanDerWaalsContact N-OE2 3.14Å; K805-E808 WeakPolarHBondContact O-CA 3.24Å; K805-E808 WeakPolarHBondContact O-CB 3.31Å; K805-E808 PolarHBondContact O-N 3.42Å; E808-E811 WeakPolarHBondContact O-CB 3.28Å; E808-E811 PolarHBondContact O-N 2.79Å; E808-I812 WeakPolarHBondContact O-CG1 3.12Å; E808-I812 PolarHBondContact O-N 3.44Å
809Q86Confident85.3Confident96 Ų9671.6 Ų71.645%0.44937%0.373SS..Hα-helixtrans-68.7-42.5173.3-171.4174.42.300111.6K805 D806 L807 E811 I812 W813K805-Q809 PolarHBondContact O-N 3.24Å; D806-Q809 PolarHBondContact O-N 3.48Å; L807-Q809 VanDerWaalsContact C-N 3.35Å; Q809-E811 VanDerWaalsContact C-N 3.27Å; Q809-E811 PolarHBondContact O-N 3.14Å; Q809-I812 PolarHBondContact O-N 3.4Å; Q809-W813 PolarHBondContact O-N 2.86Å
810A89.8Confident85.6Confident25 Ų2568.2 Ų68.221%0.20735%0.352CS..Hα-helixtrans-60.7-37.9173.100000111.7D806 L807 W813 N814D806-A810 WeakPolarHBondContact O-CB 3.18Å; D806-A810 PolarHBondContact O-N 2.64Å; L807-A810 PolarHBondContact O-N 3.28Å; A810-W813 PolarHBondContact O-N 3.49Å; A810-N814 WeakPolarHBondContact O-CB 3.47Å; A810-N814 VanDerWaalsContact O-CG 3.3Å; A810-N814 PolarHBondContact O-N 2.98Å; A810-N814 PolarHBondContact O-ND2 3.31Å
811E90.7Very high86.2Confident79 Ų7970.3 Ų70.337%0.36936%0.355SS..Hα-helixtrans-61.1-42.7175.4-166-174.4173.800112.3K785 W790 L807 E808 Q809 G815K785-E811 WeakPolarHBondContact CE-OE1 3.36Å; K785-E811 IonicContact NZ-OE1 3.16Å; K785-E811 PolarHBondContact NZ-OE1 2.67Å; K785-E811 IonicContact NZ-OE2 2.6Å; K785-E811 PolarHBondContact NZ-OE2 2.72Å; W790-E811 HydrophobicContact CH2-CG 4.01Å; W790-E811 HydrophobicContact CZ3-CG 4.26Å; L807-E811 PolarHBondContact O-N 2.8Å; E808-E811 WeakPolarHBondContact O-CB 3.28Å; E808-E811 PolarHBondContact O-N 2.79Å; Q809-E811 VanDerWaalsContact C-N 3.27Å; Q809-E811 PolarHBondContact O-N 3.14Å; E811-G815 PolarHBondContact O-N 2.94Å
812I91Very high86.6Confident10 Ų1071.7 Ų71.75%0.05136%0.355CS..Hα-helixtrans-61.1-48.6175.5-67.7176.4000110.9W790 V793 A794 T797 M804 E808 Q809 G815 I816W790-I812 HydrophobicContact CE3-CG1 4.38Å; V793-I812 HydrophobicContact CG1-CD1 3.78Å; V793-I812 HydrophobicContact CG1-CG1 3.94Å; A794-I812 HydrophobicContact CB-CG2 3.78Å; T797-I812 HydrophobicContact CG2-CD1 4.44Å; M804-I812 HydrophobicContact CE-CD1 3.26Å; M804-I812 HydrophobicContact CE-CG1 4.05Å; E808-I812 WeakPolarHBondContact O-CG1 3.12Å; E808-I812 PolarHBondContact O-N 3.44Å; Q809-I812 PolarHBondContact O-N 3.4Å; I812-G815 PolarHBondContact O-N 3.22Å; I812-I816 HydrophobicContact CG2-CD1 4.06Å; I812-I816 WeakPolarHBondContact O-CG1 3.46Å; I812-I816 PolarHBondContact O-N 2.86Å
813W93.4Very high87.2Confident67 Ų6772.6 Ų72.625%0.25436%0.357SS..Hα-helixtrans-64-43.8-179-65130.8000112Q809 A810 G815 I816 G817 Y832 Q835Q809-W813 PolarHBondContact O-N 2.86Å; A810-W813 PolarHBondContact O-N 3.49Å; W813-G815 VanDerWaalsContact C-N 3.3Å; W813-G815 PolarHBondContact O-N 2.88Å; W813-I816 HydrophobicContact CE3-CD1 4.05Å; W813-I816 HydrophobicContact CZ3-CD1 4.16Å; W813-I816 PolarHBondContact O-N 2.76Å; W813-G817 PolarHBondContact O-N 2.85Å; W813-Y832 AromaticContact CE3-CD1 3.58Å; W813-Y832 HydrophobicContact CE3-CD1 3.58Å; W813-Y832 AromaticContact CE3-CE1 3.82Å; W813-Y832 HydrophobicContact CE3-CE1 3.82Å; W813-Y832 HydrophobicContact CZ3-CD1 4Å; W813-Y832 AromaticContact CZ3-CE1 3.73Å; W813-Y832 HydrophobicContact CZ3-CE1 3.73Å; W813-Q835 HydrophobicContact CB-CB 4.31Å; W813-Q835 HydrophobicContact CD2-CB 4.35Å; W813-Q835 HydrophobicContact CG-CB 4.01Å
814N92.6Very high87.8Confident27 Ų2770.9 Ų70.914%0.14435%0.346CS..Hα-helixtrans-63.9-35.8175.8-71.8-30.5000111.9A810 G817 D818 G836A810-N814 WeakPolarHBondContact O-CB 3.47Å; A810-N814 VanDerWaalsContact O-CG 3.3Å; A810-N814 PolarHBondContact O-N 2.98Å; A810-N814 PolarHBondContact O-ND2 3.31Å; N814-G817 PolarHBondContact O-N 3.14Å; N814-D818 WeakPolarHBondContact O-CB 3.47Å; N814-D818 PolarHBondContact O-N 3.31Å; N814-G836 PolarHBondContact ND2-O 3.32Å; N814-G836 WeakPolarHBondContact OD1-CA 3.23Å
815G91.3Very high88.6Confident4 Ų470.9 Ų70.94%0.04135%0.347CS..Hα-helixtrans-65.1-39.4173.800000113.7W790 E811 I812 W813 D818 Y819W790-G815 VanDerWaalsContact CD1-CA 3.5Å; W790-G815 VanDerWaalsContact CD1-O 3.3Å; E811-G815 PolarHBondContact O-N 2.94Å; I812-G815 PolarHBondContact O-N 3.22Å; W813-G815 VanDerWaalsContact C-N 3.3Å; W813-G815 PolarHBondContact O-N 2.88Å; G815-D818 PolarHBondContact O-N 3.25Å; G815-Y819 PolarHBondContact O-N 3.09Å; G815-Y819 VanDerWaalsContact O-N 3.12Å
816I92.7Very high89Confident4 Ų466.1 Ų66.12%0.02133%0.325CS..Hα-helixtrans-68.3-39.5172.2-64.3171.8000110.6W790 F791 A794 I812 W813 Y819 Y820 Y832W790-I816 HydrophobicContact CB-CG1 3.66Å; F791-I816 HydrophobicContact CD1-CD1 4.46Å; F791-I816 HydrophobicContact CD1-CG2 4.46Å; F791-I816 HydrophobicContact CE1-CG2 3.71Å; F791-I816 HydrophobicContact CE2-CG2 4.5Å; F791-I816 HydrophobicContact CZ-CG2 3.73Å; A794-I816 HydrophobicContact CB-CD1 4.34Å; I812-I816 HydrophobicContact CG2-CD1 4.06Å; I812-I816 WeakPolarHBondContact O-CG1 3.46Å; I812-I816 PolarHBondContact O-N 2.86Å; W813-I816 HydrophobicContact CE3-CD1 4.05Å; W813-I816 HydrophobicContact CZ3-CD1 4.16Å; W813-I816 PolarHBondContact O-N 2.76Å; I816-Y819 WeakPolarHBondContact O-CB 3.5Å; I816-Y819 PolarHBondContact O-N 3.16Å; I816-Y820 HydrophobicContact CG2-CD2 3.92Å; I816-Y820 HydrophobicContact CG2-CE2 3.67Å; I816-Y820 VanDerWaalsContact O-CD2 3.31Å; I816-Y820 WeakPolarHBondContact O-CD2 3.39Å; I816-Y820 PolarHBondContact O-N 3.24Å; I816-Y820 VanDerWaalsContact O-N 3.13Å; I816-Y832 HydrophobicContact CB-CD1 4.25Å; I816-Y832 HydrophobicContact CB-CG 4.31Å; I816-Y832 HydrophobicContact CG2-CD1 3.82Å; I816-Y832 HydrophobicContact CG2-CD2 3.71Å; I816-Y832 HydrophobicContact CG2-CE1 3.76Å; I816-Y832 HydrophobicContact CG2-CE2 3.7Å; I816-Y832 HydrophobicContact CG2-CG 3.78Å
817G92.5Very high89.4Confident0 Ų063.6 Ų63.60%031%0.311CS..Hα-helixtrans-58.4-45.8172.700000112.1W813 N814 Y819 Y820 R821 Y833W813-G817 PolarHBondContact O-N 2.85Å; N814-G817 PolarHBondContact O-N 3.14Å; G817-Y819 VanDerWaalsContact C-N 3.29Å; G817-Y819 PolarHBondContact O-N 2.83Å; G817-Y820 PolarHBondContact O-N 2.8Å; G817-Y820 VanDerWaalsContact O-N 3.16Å; G817-R821 WeakPolarHBondContact O-CB 3.34Å; G817-R821 PolarHBondContact O-N 2.88Å; G817-Y833 VanDerWaalsContact C-CZ 3.43Å; G817-Y833 PolarHBondContact O-OH 2.78Å
818D92.2Very high89.7Confident63 Ų6360.8 Ų60.834%0.33729%0.293SS..Hα-helixtrans-61.6-36.1176.7-71.5-18.7000112N814 G815 R821 S822 Y833 K841N814-D818 WeakPolarHBondContact O-CB 3.47Å; N814-D818 PolarHBondContact O-N 3.31Å; G815-D818 PolarHBondContact O-N 3.25Å; D818-R821 PolarHBondContact O-N 2.81Å; D818-S822 WeakPolarHBondContact O-CB 3.46Å; D818-S822 PolarHBondContact O-N 3.42Å; D818-Y833 VanDerWaalsContact CA-OH 3.27Å; D818-Y833 WeakPolarHBondContact CA-OH 3.46Å; D818-Y833 PolarHBondContact N-OH 2.92Å; D818-Y833 WeakPolarHBondContact OD1-CE1 3.19Å; D818-Y833 PolarHBondContact OD1-OH 3.38Å; D818-K841 VanDerWaalsContact CG-NZ 3.34Å; D818-K841 IonicContact OD1-NZ 3.28Å; D818-K841 PolarHBondContact OD1-NZ 3.26Å; D818-K841 IonicContact OD2-NZ 3.79Å; D818-K841 PolarHBondContact OD2-NZ 3.14Å
819Y90.1Very high90.1Very high104 Ų10457.3 Ų57.341%0.40828%0.277SS..Hα-helixtrans-61.3-49.8172175.1-90.5000111.9F791 G815 I816 G817 S822 Q823F791-Y819 AromaticContact CE2-CD1 3.42Å; F791-Y819 HydrophobicContact CE2-CD1 3.42Å; F791-Y819 VanDerWaalsContact CE2-CD1 3.42Å; F791-Y819 HydrophobicContact CE2-CD2 4.15Å; F791-Y819 AromaticContact CE2-CE1 3.61Å; F791-Y819 HydrophobicContact CE2-CE1 3.61Å; F791-Y819 HydrophobicContact CE2-CE2 4.31Å; F791-Y819 AromaticContact CE2-CG 3.69Å; F791-Y819 HydrophobicContact CE2-CG 3.69Å; F791-Y819 AromaticContact CZ-CD1 3.64Å; F791-Y819 HydrophobicContact CZ-CD1 3.64Å; F791-Y819 AromaticContact CZ-CE1 3.87Å; F791-Y819 HydrophobicContact CZ-CE1 3.87Å; F791-Y819 HydrophobicContact CZ-CG 4.3Å; G815-Y819 PolarHBondContact O-N 3.09Å; G815-Y819 VanDerWaalsContact O-N 3.12Å; I816-Y819 WeakPolarHBondContact O-CB 3.5Å; I816-Y819 PolarHBondContact O-N 3.16Å; G817-Y819 VanDerWaalsContact C-N 3.29Å; G817-Y819 PolarHBondContact O-N 2.83Å; Y819-S822 PolarHBondContact O-N 3.45Å; Y819-S822 PolarHBondContact O-OG 3.19Å; Y819-Q823 VanDerWaalsContact CE1-NE2 3.3Å; Y819-Q823 PolarHBondContact O-N 2.83Å; Y819-Q823 PolarHBondContact OH-NE2 3.08Å
820Y91.1Very high90.4Very high37 Ų3753.4 Ų53.415%0.14526%0.26CS..Hα-helixtrans-67.5-36.4178.3-74.4-64.7000112.7F791 I816 G817 S822 Q823 M824 L825 K828 Y832F791-Y820 HydrophobicContact CE1-CE2 4.03Å; F791-Y820 AromaticContact CZ-CE2 3.66Å; F791-Y820 HydrophobicContact CZ-CE2 3.66Å; F791-Y820 AromaticContact CZ-CZ 3.78Å; I816-Y820 HydrophobicContact CG2-CD2 3.92Å; I816-Y820 HydrophobicContact CG2-CE2 3.67Å; I816-Y820 VanDerWaalsContact O-CD2 3.31Å; I816-Y820 WeakPolarHBondContact O-CD2 3.39Å; I816-Y820 PolarHBondContact O-N 3.24Å; I816-Y820 VanDerWaalsContact O-N 3.13Å; G817-Y820 PolarHBondContact O-N 2.8Å; G817-Y820 VanDerWaalsContact O-N 3.16Å; Y820-S822 VanDerWaalsContact C-N 3.32Å; Y820-S822 PolarHBondContact O-N 3Å; Y820-Q823 CarbonylContact O-C 3.58Å; Y820-Q823 PolarHBondContact O-N 2.92Å; Y820-Q823 VanDerWaalsContact O-N 3.1Å; Y820-M824 PolarHBondContact O-N 3.03Å; Y820-L825 HydrophobicContact CD1-CB 4.14Å; Y820-L825 HydrophobicContact CD1-CD1 3.9Å; Y820-L825 HydrophobicContact CE1-CD1 4.31Å; Y820-L825 PolarHBondContact O-N 3.05Å; Y820-K828 HydrophobicContact CD1-CB 3.85Å; Y820-K828 HydrophobicContact CD1-CD 3.88Å; Y820-K828 HydrophobicContact CD2-CB 4.07Å; Y820-K828 HydrophobicContact CE1-CB 4.25Å; Y820-K828 HydrophobicContact CE1-CD 3.61Å; Y820-K828 HydrophobicContact CE2-CB 4.44Å; Y820-K828 HydrophobicContact CG-CB 3.76Å; Y820-Y832 AromaticContact CD2-CD2 3.57Å; Y820-Y832 HydrophobicContact CD2-CD2 3.57Å; Y820-Y832 AromaticContact CD2-CE2 3.54Å; Y820-Y832 HydrophobicContact CD2-CE2 3.54Å; Y820-Y832 AromaticContact CE2-CD2 3.75Å; Y820-Y832 HydrophobicContact CE2-CD2 3.75Å; Y820-Y832 AromaticContact CE2-CE2 3.2Å; Y820-Y832 HydrophobicContact CE2-CE2 3.2Å
821R90.6Very high90.6Very high94 Ų9456.8 Ų56.836%0.35528%0.275SS..Hα-helixtrans-58.4-43.3171.8-179.3173.1179.5-88.5-1.4111.3G817 D818 Q823 M824 W826 A829 Y833 E844G817-R821 WeakPolarHBondContact O-CB 3.34Å; G817-R821 PolarHBondContact O-N 2.88Å; D818-R821 PolarHBondContact O-N 2.81Å; R821-Q823 PolarHBondContact O-N 3.4Å; R821-M824 PolarHBondContact O-N 3Å; R821-W826 HydrophobicContact CG-CH2 4.41Å; R821-W826 HydrophobicContact CG-CZ3 3.83Å; R821-A829 HydrophobicContact CB-CB 4.3Å; R821-Y833 HydrophobicContact CB-CE2 4.33Å; R821-Y833 WeakPolarHBondContact CB-OH 3.22Å; R821-Y833 WeakPolarHBondContact CD-OH 3.35Å; R821-E844 IonicContact CZ-OE1 3.72Å; R821-E844 IonicContact CZ-OE2 3.83Å; R821-E844 IonicContact NE-OE1 3.62Å; R821-E844 IonicContact NE-OE2 3.46Å; R821-E844 PolarHBondContact NE-OE2 2.77Å; R821-E844 IonicContact NH2-OE1 2.76Å; R821-E844 PolarHBondContact NH2-OE1 3.4Å; R821-E844 IonicContact NH2-OE2 3.87Å; R821-E844 PolarHBondContact NH2-OE2 3.36Å; R821-E844 VanDerWaalsContact NH2-OE2 3.16Å
822S86.2Confident90.7Very high91 Ų9155.6 Ų55.664%0.63627%0.267SS*.Hα-helixtrans-63.5-21.9177.1790000114D818 Y819 Y820D818-S822 WeakPolarHBondContact O-CB 3.46Å; D818-S822 PolarHBondContact O-N 3.42Å; Y819-S822 PolarHBondContact O-N 3.45Å; Y819-S822 PolarHBondContact O-OG 3.19Å; Y820-S822 VanDerWaalsContact C-N 3.32Å; Y820-S822 PolarHBondContact O-N 3Å
823Q85.8Confident90.9Very high81 Ų8155.1 Ų55.138%0.37927%0.265SS..THydrogen-bonded Turntrans-97.14.6176.5-62.8-170.59.600113.4Y819 Y820 R821 L825Y819-Q823 VanDerWaalsContact CE1-NE2 3.3Å; Y819-Q823 PolarHBondContact O-N 2.83Å; Y819-Q823 PolarHBondContact OH-NE2 3.08Å; Y820-Q823 CarbonylContact O-C 3.58Å; Y820-Q823 PolarHBondContact O-N 2.92Å; Y820-Q823 VanDerWaalsContact O-N 3.1Å; R821-Q823 PolarHBondContact O-N 3.4Å; Q823-L825 HydrophobicContact CB-CD1 4.24Å; Q823-L825 HydrophobicContact CB-CG 4.26Å; Q823-L825 PolarHBondContact O-N 3.41Å
824M85.4Confident90.8Very high140 Ų14058.7 Ų58.769%0.6928%0.282SS*.THydrogen-bonded Turntrans59.125.9-174.4-54.7-174.8175.300113.8Y820 R821 W826Y820-M824 PolarHBondContact O-N 3.03Å; R821-M824 PolarHBondContact O-N 3Å; M824-W826 HydrophobicContact CB-CZ2 4.36Å; M824-W826 HydrophobicContact CG-CZ2 4.31Å; M824-W826 VanDerWaalsContact O-CD1 3.26Å; M824-W826 PolarHBondContact O-N 2.89Å; M824-W826 PolarHBondContact O-NE1 3.15Å
825L87.8Confident90.7Very high58 Ų5862.6 Ų62.630%0.30430%0.299SS..  trans-91.574173.4-68173.2000109.2Y820 Q823 D827 K828 A829Y820-L825 HydrophobicContact CD1-CB 4.14Å; Y820-L825 HydrophobicContact CD1-CD1 3.9Å; Y820-L825 HydrophobicContact CE1-CD1 4.31Å; Y820-L825 PolarHBondContact O-N 3.05Å; Q823-L825 HydrophobicContact CB-CD1 4.24Å; Q823-L825 HydrophobicContact CB-CG 4.26Å; Q823-L825 PolarHBondContact O-N 3.41Å; L825-D827 VanDerWaalsContact C-N 3.32Å; L825-D827 PolarHBondContact O-N 3.18Å; L825-K828 PolarHBondContact O-N 3.4Å; L825-A829 WeakPolarHBondContact O-CB 3.38Å; L825-A829 PolarHBondContact O-N 3.41Å
826W90.6Very high90.6Very high51 Ų5162.6 Ų62.619%0.19330%0.3CS..Hα-helixtrans-64.9-32.7-170.6-53.8109000113.6R821 M824 S830 Q848 L849R821-W826 HydrophobicContact CG-CH2 4.41Å; R821-W826 HydrophobicContact CG-CZ3 3.83Å; M824-W826 HydrophobicContact CB-CZ2 4.36Å; M824-W826 HydrophobicContact CG-CZ2 4.31Å; M824-W826 VanDerWaalsContact O-CD1 3.26Å; M824-W826 PolarHBondContact O-N 2.89Å; M824-W826 PolarHBondContact O-NE1 3.15Å; W826-S830 WeakPolarHBondContact O-CB 3.45Å; W826-S830 PolarHBondContact O-N 2.94Å; W826-Q848 HydrophobicContact CD2-CB 3.63Å; W826-Q848 HydrophobicContact CD2-CG 4.01Å; W826-Q848 HydrophobicContact CE3-CB 3.96Å; W826-Q848 HydrophobicContact CE3-CG 3.95Å; W826-Q848 HydrophobicContact CG-CB 3.91Å; W826-Q848 HydrophobicContact CH2-CG 3.87Å; W826-Q848 HydrophobicContact CZ2-CB 4.26Å; W826-Q848 HydrophobicContact CZ2-CG 3.92Å; W826-Q848 HydrophobicContact CZ3-CB 4.39Å; W826-Q848 HydrophobicContact CZ3-CG 3.87Å; W826-L849 HydrophobicContact CB-CD1 4.16Å; W826-L849 HydrophobicContact CB-CD2 3.69Å; W826-L849 HydrophobicContact CB-CG 3.64Å
827D89.6Confident90.3Very high83 Ų8368.5 Ų68.544%0.44433%0.331SS..Hα-helixtrans-58.7-54.417662.2-34.3000110.8L825 S830 D831L825-D827 VanDerWaalsContact C-N 3.32Å; L825-D827 PolarHBondContact O-N 3.18Å; D827-S830 WeakPolarHBondContact O-CB 3.48Å; D827-S830 PolarHBondContact O-N 3.41Å; D827-S830 PolarHBondContact O-OG 3.11Å; D827-D831 PolarHBondContact O-N 2.99Å
828K90.5Very high90.1Very high90 Ų9070.6 Ų70.639%0.39134%0.343SS..Hα-helixtrans-67.9-42179.5-64.8-178.8-175.6176.80111.4Y820 L825 S830 D831 Y832Y820-K828 HydrophobicContact CD1-CB 3.85Å; Y820-K828 HydrophobicContact CD1-CD 3.88Å; Y820-K828 HydrophobicContact CD2-CB 4.07Å; Y820-K828 HydrophobicContact CE1-CB 4.25Å; Y820-K828 HydrophobicContact CE1-CD 3.61Å; Y820-K828 HydrophobicContact CE2-CB 4.44Å; Y820-K828 HydrophobicContact CG-CB 3.76Å; L825-K828 PolarHBondContact O-N 3.4Å; K828-S830 PolarHBondContact O-N 3.46Å; K828-D831 PolarHBondContact O-N 3.05Å; K828-Y832 WeakPolarHBondContact O-CD2 3.3Å; K828-Y832 PolarHBondContact O-N 3.18Å
829A93.2Very high89.8Confident0 Ų071.3 Ų71.30%035%0.346CS..Hα-helixtrans-57.4-40.2176.900000111.3R821 L825 D831 Y832 Y833R821-A829 HydrophobicContact CB-CB 4.3Å; L825-A829 WeakPolarHBondContact O-CB 3.38Å; L825-A829 PolarHBondContact O-N 3.41Å; A829-D831 PolarHBondContact O-N 3.06Å; A829-Y832 PolarHBondContact O-N 2.72Å; A829-Y833 HydrophobicContact CB-CD2 4.3Å; A829-Y833 HydrophobicContact CB-CE2 3.95Å; A829-Y833 WeakPolarHBondContact O-CD2 3.47Å; A829-Y833 PolarHBondContact O-N 3.48Å
830S92.3Very high89.7Confident13 Ų1371.1 Ų71.19%0.09135%0.352CS..Hα-helixtrans-60.9-42.7179.882.30000113W826 D827 K828 Y832 Y833 K834 F842W826-S830 WeakPolarHBondContact O-CB 3.45Å; W826-S830 PolarHBondContact O-N 2.94Å; D827-S830 WeakPolarHBondContact O-CB 3.48Å; D827-S830 PolarHBondContact O-N 3.41Å; D827-S830 PolarHBondContact O-OG 3.11Å; K828-S830 PolarHBondContact O-N 3.46Å; S830-Y832 VanDerWaalsContact C-N 3.34Å; S830-Y832 PolarHBondContact O-N 2.85Å; S830-Y833 PolarHBondContact O-N 3.16Å; S830-K834 WeakPolarHBondContact O-CB 3.34Å; S830-K834 PolarHBondContact O-N 3.29Å; S830-F842 WeakPolarHBondContact O-CD2 3.45Å
831D92.5Very high89.6Confident97 Ų9772 Ų7252%0.51936%0.356SS..Hα-helixtrans-63.1-40.5179-75.6-28.2000111.9D827 K828 A829 Q835D827-D831 PolarHBondContact O-N 2.99Å; K828-D831 PolarHBondContact O-N 3.05Å; A829-D831 PolarHBondContact O-N 3.06Å; D831-Q835 WeakPolarHBondContact O-CG 3.28Å; D831-Q835 PolarHBondContact O-N 2.84Å; D831-Q835 VanDerWaalsContact O-N 3.17Å
832Y93.9Very high89.6Confident53 Ų5369 Ų6921%0.20835%0.346CS..Hα-helixtrans-74.7-39.3179.8-71.2-66.5000112.9W813 I816 Y820 K828 A829 S830 K834 Q835 G836W813-Y832 AromaticContact CE3-CD1 3.58Å; W813-Y832 HydrophobicContact CE3-CD1 3.58Å; W813-Y832 AromaticContact CE3-CE1 3.82Å; W813-Y832 HydrophobicContact CE3-CE1 3.82Å; W813-Y832 HydrophobicContact CZ3-CD1 4Å; W813-Y832 AromaticContact CZ3-CE1 3.73Å; W813-Y832 HydrophobicContact CZ3-CE1 3.73Å; I816-Y832 HydrophobicContact CB-CD1 4.25Å; I816-Y832 HydrophobicContact CB-CG 4.31Å; I816-Y832 HydrophobicContact CG2-CD1 3.82Å; I816-Y832 HydrophobicContact CG2-CD2 3.71Å; I816-Y832 HydrophobicContact CG2-CE1 3.76Å; I816-Y832 HydrophobicContact CG2-CE2 3.7Å; I816-Y832 HydrophobicContact CG2-CG 3.78Å; Y820-Y832 AromaticContact CD2-CD2 3.57Å; Y820-Y832 HydrophobicContact CD2-CD2 3.57Å; Y820-Y832 AromaticContact CD2-CE2 3.54Å; Y820-Y832 HydrophobicContact CD2-CE2 3.54Å; Y820-Y832 AromaticContact CE2-CD2 3.75Å; Y820-Y832 HydrophobicContact CE2-CD2 3.75Å; Y820-Y832 AromaticContact CE2-CE2 3.2Å; Y820-Y832 HydrophobicContact CE2-CE2 3.2Å; K828-Y832 WeakPolarHBondContact O-CD2 3.3Å; K828-Y832 PolarHBondContact O-N 3.18Å; A829-Y832 PolarHBondContact O-N 2.72Å; S830-Y832 VanDerWaalsContact C-N 3.34Å; S830-Y832 PolarHBondContact O-N 2.85Å; Y832-K834 VanDerWaalsContact C-N 3.28Å; Y832-K834 PolarHBondContact O-N 2.95Å; Y832-Q835 PolarHBondContact O-N 3.22Å; Y832-G836 PolarHBondContact O-N 2.97Å
833Y94.3Very high89.7Confident0 Ų064.7 Ų64.70%032%0.316CS..Hα-helixtrans-65.9-33.3174.1-67.3-45.8000112.5G817 D818 R821 A829 S830 G836 N837 D838 K841 C845G817-Y833 VanDerWaalsContact C-CZ 3.43Å; G817-Y833 PolarHBondContact O-OH 2.78Å; D818-Y833 VanDerWaalsContact CA-OH 3.27Å; D818-Y833 WeakPolarHBondContact CA-OH 3.46Å; D818-Y833 PolarHBondContact N-OH 2.92Å; D818-Y833 WeakPolarHBondContact OD1-CE1 3.19Å; D818-Y833 PolarHBondContact OD1-OH 3.38Å; R821-Y833 HydrophobicContact CB-CE2 4.33Å; R821-Y833 WeakPolarHBondContact CB-OH 3.22Å; R821-Y833 WeakPolarHBondContact CD-OH 3.35Å; A829-Y833 HydrophobicContact CB-CD2 4.3Å; A829-Y833 HydrophobicContact CB-CE2 3.95Å; A829-Y833 WeakPolarHBondContact O-CD2 3.47Å; A829-Y833 PolarHBondContact O-N 3.48Å; S830-Y833 PolarHBondContact O-N 3.16Å; Y833-G836 CarbonylContact O-C 3.56Å; Y833-G836 PolarHBondContact O-N 3.04Å; Y833-N837 PolarHBondContact O-N 3.2Å; Y833-D838 PolarHBondContact O-N 3.23Å; Y833-D838 VanDerWaalsContact O-N 3.13Å; Y833-K841 HydrophobicContact CD1-CB 3.87Å; Y833-K841 HydrophobicContact CD1-CD 3.81Å; Y833-K841 HydrophobicContact CD2-CB 3.8Å; Y833-K841 HydrophobicContact CE1-CB 3.99Å; Y833-K841 HydrophobicContact CE1-CD 3.32Å; Y833-K841 HydrophobicContact CE1-CG 4.31Å; Y833-K841 HydrophobicContact CE2-CB 3.89Å; Y833-K841 HydrophobicContact CE2-CD 4.4Å; Y833-K841 HydrophobicContact CG-CB 3.77Å; Y833-C845 VanDerWaalsContact CD2-SG 3.53Å; Y833-C845 VanDerWaalsContact CE2-SG 3.55Å
834K91.5Very high89.8Confident143 Ų14363 Ų6362%0.62231%0.308SS*.Hα-helixtrans-63.1-41.1171.5-172.8178.4-179179.40111.7S830 Y832 N837 F842S830-K834 WeakPolarHBondContact O-CB 3.34Å; S830-K834 PolarHBondContact O-N 3.29Å; Y832-K834 VanDerWaalsContact C-N 3.28Å; Y832-K834 PolarHBondContact O-N 2.95Å; K834-N837 PolarHBondContact O-N 3.46Å; K834-F842 HydrophobicContact CB-CD2 4.25Å; K834-F842 HydrophobicContact CB-CE2 4.21Å; K834-F842 HydrophobicContact CD-CZ 4.39Å
835Q90.2Very high90.1Very high108 Ų10856.3 Ų56.351%0.50528%0.275SS..Hα-helixtrans-70.1-33.6174.8-70.3175.935.800113W813 D831 Y832 N837W813-Q835 HydrophobicContact CB-CB 4.31Å; W813-Q835 HydrophobicContact CD2-CB 4.35Å; W813-Q835 HydrophobicContact CG-CB 4.01Å; D831-Q835 WeakPolarHBondContact O-CG 3.28Å; D831-Q835 PolarHBondContact O-N 2.84Å; D831-Q835 VanDerWaalsContact O-N 3.17Å; Y832-Q835 PolarHBondContact O-N 3.22Å; Q835-N837 VanDerWaalsContact C-N 3.28Å; Q835-N837 PolarHBondContact O-N 3.3Å
836G88.8Confident90.2Very high5 Ų554 Ų545%0.05226%0.263CS..THydrogen-bonded Turntrans-80.8-1.1175.600000115N814 Y832 Y833 D838N814-G836 PolarHBondContact ND2-O 3.32Å; N814-G836 WeakPolarHBondContact OD1-CA 3.23Å; Y832-G836 PolarHBondContact O-N 2.97Å; Y833-G836 CarbonylContact O-C 3.56Å; Y833-G836 PolarHBondContact O-N 3.04Å; G836-D838 VanDerWaalsContact C-N 3.27Å; G836-D838 PolarHBondContact O-N 3Å
837N87.7Confident90.1Very high128 Ų12854.5 Ų54.568%0.68427%0.265SS*.THydrogen-bonded Turntrans55.932.8-179.4-159.533.5000114.6Y833 K834 Q835Y833-N837 PolarHBondContact O-N 3.2Å; K834-N837 PolarHBondContact O-N 3.46Å; Q835-N837 VanDerWaalsContact C-N 3.28Å; Q835-N837 PolarHBondContact O-N 3.3Å
838D88.3Confident90.1Very high44 Ų4454.9 Ų54.924%0.23526%0.264CS..  trans-97.288.9174.4-169.2-25.4000110.4Y833 G836 L840 K841 F842Y833-D838 PolarHBondContact O-N 3.23Å; Y833-D838 VanDerWaalsContact O-N 3.13Å; G836-D838 VanDerWaalsContact C-N 3.27Å; G836-D838 PolarHBondContact O-N 3Å; D838-L840 VanDerWaalsContact C-N 3.31Å; D838-L840 PolarHBondContact O-N 3.12Å; D838-L840 PolarHBondContact OD1-N 3.46Å; D838-K841 HydrophobicContact CB-CB 4.39Å; D838-K841 PolarHBondContact O-N 3.46Å; D838-K841 PolarHBondContact OD1-N 3.28Å; D838-K841 WeakPolarHBondContact OD2-CD 3.41Å; D838-K841 VanDerWaalsContact OD2-CE 3.25Å; D838-K841 WeakPolarHBondContact OD2-CE 3.16Å; D838-K841 WeakPolarHBondContact OD2-CG 3.37Å; D838-K841 IonicContact OD2-NZ 2.98Å; D838-F842 VanDerWaalsContact O-CB 3.32Å; D838-F842 WeakPolarHBondContact O-CB 3.41Å; D838-F842 PolarHBondContact O-N 3.24Å
839L85.5Confident90Very high78 Ų7854.1 Ų54.141%0.40826%0.264SS..Hα-helixtrans-63.9-31-174.1-64.9176.2000113.6A843 L862L839-A843 WeakPolarHBondContact O-CB 3.3Å; L839-A843 PolarHBondContact O-N 3.27Å; L839-L862 HydrophobicContact CD1-CD2 4.49Å
840L87Confident89.8Confident100 Ų10060.8 Ų60.852%0.52430%0.295SS..Hα-helixtrans-72.9-46.4-178.9-71.7174.6000111D838 F842 A843 E844 A868D838-L840 VanDerWaalsContact C-N 3.31Å; D838-L840 PolarHBondContact O-N 3.12Å; D838-L840 PolarHBondContact OD1-N 3.46Å; L840-F842 VanDerWaalsContact C-N 3.31Å; L840-A843 PolarHBondContact O-N 2.81Å; L840-E844 PolarHBondContact O-N 2.99Å; L840-A868 HydrophobicContact CD2-CB 3.97Å
841K90Very high89.7Confident54 Ų5463.3 Ų63.324%0.23531%0.308CS..Hα-helixtrans-66.2-35.7174.7-66.8-172.1-171.7-178.50111.8D818 Y833 D838 E844 C845D818-K841 VanDerWaalsContact CG-NZ 3.34Å; D818-K841 IonicContact OD1-NZ 3.28Å; D818-K841 PolarHBondContact OD1-NZ 3.26Å; D818-K841 IonicContact OD2-NZ 3.79Å; D818-K841 PolarHBondContact OD2-NZ 3.14Å; Y833-K841 HydrophobicContact CD1-CB 3.87Å; Y833-K841 HydrophobicContact CD1-CD 3.81Å; Y833-K841 HydrophobicContact CD2-CB 3.8Å; Y833-K841 HydrophobicContact CE1-CB 3.99Å; Y833-K841 HydrophobicContact CE1-CD 3.32Å; Y833-K841 HydrophobicContact CE1-CG 4.31Å; Y833-K841 HydrophobicContact CE2-CB 3.89Å; Y833-K841 HydrophobicContact CE2-CD 4.4Å; Y833-K841 HydrophobicContact CG-CB 3.77Å; D838-K841 HydrophobicContact CB-CB 4.39Å; D838-K841 PolarHBondContact O-N 3.46Å; D838-K841 PolarHBondContact OD1-N 3.28Å; D838-K841 WeakPolarHBondContact OD2-CD 3.41Å; D838-K841 VanDerWaalsContact OD2-CE 3.25Å; D838-K841 WeakPolarHBondContact OD2-CE 3.16Å; D838-K841 WeakPolarHBondContact OD2-CG 3.37Å; D838-K841 IonicContact OD2-NZ 2.98Å; K841-E844 PolarHBondContact O-N 3.36Å; K841-C845 PolarHBondContact O-N 3.49Å; K841-C845 PolarHBondContact O-SG 3.02Å
842F91.6Very high89.5Confident32 Ų3261.5 Ų61.514%0.1429%0.294CS..Hα-helixtrans-62.2-47.8173.4-179-123.1000111.7S830 K834 D838 L840 E844 C845 L846 I858S830-F842 WeakPolarHBondContact O-CD2 3.45Å; K834-F842 HydrophobicContact CB-CD2 4.25Å; K834-F842 HydrophobicContact CB-CE2 4.21Å; K834-F842 HydrophobicContact CD-CZ 4.39Å; D838-F842 VanDerWaalsContact O-CB 3.32Å; D838-F842 WeakPolarHBondContact O-CB 3.41Å; D838-F842 PolarHBondContact O-N 3.24Å; L840-F842 VanDerWaalsContact C-N 3.31Å; F842-E844 VanDerWaalsContact C-N 3.32Å; F842-E844 PolarHBondContact O-N 3.16Å; F842-C845 WeakPolarHBondContact O-CB 3.31Å; F842-C845 PolarHBondContact O-N 2.98Å; F842-C845 VanDerWaalsContact O-N 3.14Å; F842-L846 HydrophobicContact CD1-CD1 4.19Å; F842-L846 HydrophobicContact CE1-CD1 3.74Å; F842-L846 HydrophobicContact CE1-CG 4.45Å; F842-L846 HydrophobicContact CE2-CD1 4.41Å; F842-L846 HydrophobicContact CE2-CD2 4.27Å; F842-L846 HydrophobicContact CE2-CG 4.28Å; F842-L846 HydrophobicContact CZ-CD1 3.85Å; F842-L846 HydrophobicContact CZ-CD2 4.19Å; F842-L846 HydrophobicContact CZ-CG 4.19Å; F842-L846 WeakPolarHBondContact O-CG 3.33Å; F842-L846 PolarHBondContact O-N 3.09Å; F842-I858 HydrophobicContact CD1-CD1 3.73Å; F842-I858 HydrophobicContact CE1-CD1 3.86Å; F842-I858 HydrophobicContact CE1-CG1 4.49Å
843A87.1Confident89.3Confident1 Ų166 Ų661%0.00832%0.315CS..Hα-helixtrans-64.7-33.4176.500000113L839 L840 L846 Y847 I858 F872L839-A843 WeakPolarHBondContact O-CB 3.3Å; L839-A843 PolarHBondContact O-N 3.27Å; L840-A843 PolarHBondContact O-N 2.81Å; A843-L846 PolarHBondContact O-N 3.25Å; A843-Y847 WeakPolarHBondContact O-CB 3.29Å; A843-Y847 PolarHBondContact O-N 3.14Å; A843-I858 HydrophobicContact CB-CD1 4.18Å; A843-F872 HydrophobicContact CB-CD1 4.49Å; A843-F872 HydrophobicContact CB-CE1 3.42Å; A843-F872 VanDerWaalsContact CB-CE1 3.42Å; A843-F872 HydrophobicContact CB-CZ 3.63Å
844E88.2Confident89Confident44 Ų4466.3 Ų66.321%0.20632%0.318CS..Hα-helixtrans-61.5-44.6170.9-169.8-171.3-179.500111.3R821 L840 K841 F842 Y847 Q848R821-E844 IonicContact CZ-OE1 3.72Å; R821-E844 IonicContact CZ-OE2 3.83Å; R821-E844 IonicContact NE-OE1 3.62Å; R821-E844 IonicContact NE-OE2 3.46Å; R821-E844 PolarHBondContact NE-OE2 2.77Å; R821-E844 IonicContact NH2-OE1 2.76Å; R821-E844 PolarHBondContact NH2-OE1 3.4Å; R821-E844 IonicContact NH2-OE2 3.87Å; R821-E844 PolarHBondContact NH2-OE2 3.36Å; R821-E844 VanDerWaalsContact NH2-OE2 3.16Å; L840-E844 PolarHBondContact O-N 2.99Å; K841-E844 PolarHBondContact O-N 3.36Å; F842-E844 VanDerWaalsContact C-N 3.32Å; F842-E844 PolarHBondContact O-N 3.16Å; E844-Y847 WeakPolarHBondContact O-CB 3.31Å; E844-Y847 PolarHBondContact O-N 3.2Å; E844-Q848 WeakPolarHBondContact O-CG 3.46Å; E844-Q848 PolarHBondContact O-N 2.95Å
845C91.1Very high88.9Confident0 Ų059.7 Ų59.70%029%0.289CS..Hα-helixtrans-62.5-43.9176.3-64.40000111.7Y833 K841 F842 Y847 Q848 L849Y833-C845 VanDerWaalsContact CD2-SG 3.53Å; Y833-C845 VanDerWaalsContact CE2-SG 3.55Å; K841-C845 PolarHBondContact O-N 3.49Å; K841-C845 PolarHBondContact O-SG 3.02Å; F842-C845 WeakPolarHBondContact O-CB 3.31Å; F842-C845 PolarHBondContact O-N 2.98Å; F842-C845 VanDerWaalsContact O-N 3.14Å; C845-Y847 VanDerWaalsContact C-N 3.3Å; C845-Y847 PolarHBondContact O-N 3.23Å; C845-Q848 PolarHBondContact O-N 2.86Å; C845-L849 WeakPolarHBondContact O-CB 3.13Å; C845-L849 VanDerWaalsContact O-CG 3.29Å; C845-L849 WeakPolarHBondContact O-CG 3.07Å; C845-L849 PolarHBondContact O-N 3.42Å
846L90.4Very high88.8Confident10 Ų1058 Ų585%0.05228%0.281CS..Hα-helixtrans-62.4-37.9176-65.8176.8000112.2F842 A843 L849 E850 D851 I855 I858F842-L846 HydrophobicContact CD1-CD1 4.19Å; F842-L846 HydrophobicContact CE1-CD1 3.74Å; F842-L846 HydrophobicContact CE1-CG 4.45Å; F842-L846 HydrophobicContact CE2-CD1 4.41Å; F842-L846 HydrophobicContact CE2-CD2 4.27Å; F842-L846 HydrophobicContact CE2-CG 4.28Å; F842-L846 HydrophobicContact CZ-CD1 3.85Å; F842-L846 HydrophobicContact CZ-CD2 4.19Å; F842-L846 HydrophobicContact CZ-CG 4.19Å; F842-L846 WeakPolarHBondContact O-CG 3.33Å; F842-L846 PolarHBondContact O-N 3.09Å; A843-L846 PolarHBondContact O-N 3.25Å; L846-L849 CarbonylContact O-C 3.42Å; L846-L849 PolarHBondContact O-N 2.86Å; L846-E850 PolarHBondContact O-N 3.36Å; L846-E850 VanDerWaalsContact O-N 3.1Å; L846-D851 HydrophobicContact CD2-CB 4.13Å; L846-D851 PolarHBondContact O-N 3.13Å; L846-I855 HydrophobicContact CB-CD1 4.48Å; L846-I855 HydrophobicContact CB-CG1 3.94Å; L846-I855 HydrophobicContact CD1-CG1 4.44Å; L846-I858 HydrophobicContact CD1-CD1 3.64Å
847Y88.6Confident88.8Confident61 Ų6165.2 Ų65.224%0.23931%0.307CS..Hα-helixtrans-63.8-41.8175.4-176-90.8000112A843 E844 C845 E850 I855 R875 L879A843-Y847 WeakPolarHBondContact O-CB 3.29Å; A843-Y847 PolarHBondContact O-N 3.14Å; E844-Y847 WeakPolarHBondContact O-CB 3.31Å; E844-Y847 PolarHBondContact O-N 3.2Å; C845-Y847 VanDerWaalsContact C-N 3.3Å; C845-Y847 PolarHBondContact O-N 3.23Å; Y847-E850 PolarHBondContact O-N 2.86Å; Y847-I855 HydrophobicContact CD2-CD1 4.24Å; Y847-R875 HydrophobicContact CD2-CB 4.21Å; Y847-R875 HydrophobicContact CD2-CG 4.38Å; Y847-R875 HydrophobicContact CE2-CB 3.83Å; Y847-R875 HydrophobicContact CE2-CG 4.13Å; Y847-L879 HydrophobicContact CD2-CD1 4.42Å; Y847-L879 HydrophobicContact CE2-CD1 3.67Å; Y847-L879 HydrophobicContact CE2-CG 4.2Å
848Q89Confident88.8Confident92 Ų9259.7 Ų59.743%0.4328%0.277SS..Hα-helixtrans-71.4-28.6176.3-64.3-64.8-17.700113.1W826 E844 C845W826-Q848 HydrophobicContact CD2-CB 3.63Å; W826-Q848 HydrophobicContact CD2-CG 4.01Å; W826-Q848 HydrophobicContact CE3-CB 3.96Å; W826-Q848 HydrophobicContact CE3-CG 3.95Å; W826-Q848 HydrophobicContact CG-CB 3.91Å; W826-Q848 HydrophobicContact CH2-CG 3.87Å; W826-Q848 HydrophobicContact CZ2-CB 4.26Å; W826-Q848 HydrophobicContact CZ2-CG 3.92Å; W826-Q848 HydrophobicContact CZ3-CB 4.39Å; W826-Q848 HydrophobicContact CZ3-CG 3.87Å; E844-Q848 WeakPolarHBondContact O-CG 3.46Å; E844-Q848 PolarHBondContact O-N 2.95Å; C845-Q848 PolarHBondContact O-N 2.86Å
849L89.8Confident88.7Confident73 Ų7357.9 Ų57.938%0.38227%0.267SS..THydrogen-bonded Turntrans-80.7-2.3172.6-71.4170000113.3W826 C845 L846 D851W826-L849 HydrophobicContact CB-CD1 4.16Å; W826-L849 HydrophobicContact CB-CD2 3.69Å; W826-L849 HydrophobicContact CB-CG 3.64Å; C845-L849 WeakPolarHBondContact O-CB 3.13Å; C845-L849 VanDerWaalsContact O-CG 3.29Å; C845-L849 WeakPolarHBondContact O-CG 3.07Å; C845-L849 PolarHBondContact O-N 3.42Å; L846-L849 CarbonylContact O-C 3.42Å; L846-L849 PolarHBondContact O-N 2.86Å; L849-D851 PolarHBondContact O-N 3.14Å
850E88.8Confident88.8Confident141 Ų14160.1 Ų60.166%0.65928%0.276SS*.THydrogen-bonded Turntrans57.523.3-173.8-55.1-178.2170.300113.8L846 Y847 Y852L846-E850 PolarHBondContact O-N 3.36Å; L846-E850 VanDerWaalsContact O-N 3.1Å; Y847-E850 PolarHBondContact O-N 2.86Å; E850-Y852 VanDerWaalsContact C-N 3.28Å; E850-Y852 HydrophobicContact CB-CE2 4.13Å; E850-Y852 WeakPolarHBondContact O-CD2 3.34Å; E850-Y852 PolarHBondContact O-N 2.97Å
851D89.1Confident88.8Confident66 Ų6663 Ų6335%0.35329%0.287SS..  trans-84.271.7174.6-173.18.7000111.1L846 L849 K853 G854 I855L846-D851 HydrophobicContact CD2-CB 4.13Å; L846-D851 PolarHBondContact O-N 3.13Å; L849-D851 PolarHBondContact O-N 3.14Å; D851-K853 PolarHBondContact O-N 2.78Å; D851-K853 PolarHBondContact OD1-N 2.88Å; D851-G854 PolarHBondContact O-N 3.38Å; D851-G854 VanDerWaalsContact O-N 3.12Å; D851-G854 PolarHBondContact OD1-N 2.9Å; D851-I855 PolarHBondContact O-N 2.9Å
852Y89.3Confident88.6Confident58 Ų5861.3 Ų61.323%0.22728%0.28CS..Hα-helixtrans-64.6-27.7179.7-55.3-48.2000113.3E850 G854 I855 E856 F876 L879 M881E850-Y852 VanDerWaalsContact C-N 3.28Å; E850-Y852 HydrophobicContact CB-CE2 4.13Å; E850-Y852 WeakPolarHBondContact O-CD2 3.34Å; E850-Y852 PolarHBondContact O-N 2.97Å; Y852-G854 VanDerWaalsContact C-N 3.33Å; Y852-I855 PolarHBondContact O-N 3.27Å; Y852-E856 PolarHBondContact O-N 3.2Å; Y852-F876 HydrophobicContact CD1-CE1 4.24Å; Y852-F876 HydrophobicContact CG-CE1 4.38Å; Y852-L879 HydrophobicContact CD1-CD1 3.94Å; Y852-L879 HydrophobicContact CE1-CD1 3.37Å; Y852-M881 HydrophobicContact CD2-CE 4.5Å; Y852-M881 HydrophobicContact CD2-SD 4.07Å; Y852-M881 HydrophobicContact CG-SD 4.09Å
853K88.8Confident88.3Confident148 Ų14863.9 Ų63.964%0.64330%0.3SS*.Hα-helixtrans-68.9-35.4174.3-68.6-177179.9177.90111.1D851 I855 E856 R857D851-K853 PolarHBondContact O-N 2.78Å; D851-K853 PolarHBondContact OD1-N 2.88Å; K853-I855 VanDerWaalsContact C-N 3.34Å; K853-E856 PolarHBondContact O-N 3.01Å; K853-R857 WeakPolarHBondContact O-CG 3.27Å; K853-R857 PolarHBondContact O-N 2.82Å; K853-R857 VanDerWaalsContact O-N 3.15Å
854G87.3Confident88.2Confident7 Ų769.4 Ų69.47%0.07233%0.329CS..Hα-helixtrans-59.3-44171.400000112.1D851 Y852 R857 I858D851-G854 PolarHBondContact O-N 3.38Å; D851-G854 VanDerWaalsContact O-N 3.12Å; D851-G854 PolarHBondContact OD1-N 2.9Å; Y852-G854 VanDerWaalsContact C-N 3.33Å; G854-R857 PolarHBondContact O-N 2.68Å; G854-I858 WeakPolarHBondContact O-CG1 3.44Å; G854-I858 PolarHBondContact O-N 3.2Å
855I89.4Confident88Confident3 Ų371.1 Ų71.12%0.01535%0.345CS..Hα-helixtrans-65.9-39.5176.5-58.1175.1000111.4L846 Y847 D851 Y852 K853 R857 I858 I859 F872 F876L846-I855 HydrophobicContact CB-CD1 4.48Å; L846-I855 HydrophobicContact CB-CG1 3.94Å; L846-I855 HydrophobicContact CD1-CG1 4.44Å; Y847-I855 HydrophobicContact CD2-CD1 4.24Å; D851-I855 PolarHBondContact O-N 2.9Å; Y852-I855 PolarHBondContact O-N 3.27Å; K853-I855 VanDerWaalsContact C-N 3.34Å; I855-R857 VanDerWaalsContact C-N 3.33Å; I855-R857 PolarHBondContact O-N 3.22Å; I855-I858 WeakPolarHBondContact O-CB 3.5Å; I855-I858 PolarHBondContact O-N 2.87Å; I855-I858 VanDerWaalsContact O-N 3.16Å; I855-I859 HydrophobicContact CG2-CD1 4.32Å; I855-I859 WeakPolarHBondContact O-CG1 3.29Å; I855-I859 PolarHBondContact O-N 3.25Å; I855-F872 HydrophobicContact CG2-CB 4.35Å; I855-F872 HydrophobicContact CG2-CD1 4.28Å; I855-F872 HydrophobicContact CG2-CG 4.2Å; I855-F876 HydrophobicContact CB-CZ 4.03Å; I855-F876 HydrophobicContact CG2-CE2 3.95Å; I855-F876 HydrophobicContact CG2-CZ 3.84Å
856E88.3Confident87.8Confident73 Ų7374.6 Ų74.634%0.34136%0.362SS..Hα-helixtrans-58.9-41.8176.2-169.2171.4-154.900112Y852 K853 I858 I859 E860Y852-E856 PolarHBondContact O-N 3.2Å; K853-E856 PolarHBondContact O-N 3.01Å; E856-I858 PolarHBondContact O-N 3.48Å; E856-I859 WeakPolarHBondContact O-CB 3.39Å; E856-I859 PolarHBondContact O-N 3.23Å; E856-E860 WeakPolarHBondContact O-CG 3.47Å; E856-E860 PolarHBondContact O-N 2.83Å
857R88.8Confident87.5Confident157 Ų15781.2 Ų81.259%0.59240%0.397SS*.Hα-helixtrans-62.3-40.7174-66.9176.2-167.7159.34.9112.6K853 G854 I855 I859 E860 E861K853-R857 WeakPolarHBondContact O-CG 3.27Å; K853-R857 PolarHBondContact O-N 2.82Å; K853-R857 VanDerWaalsContact O-N 3.15Å; G854-R857 PolarHBondContact O-N 2.68Å; I855-R857 VanDerWaalsContact C-N 3.33Å; I855-R857 PolarHBondContact O-N 3.22Å; R857-I859 VanDerWaalsContact C-N 3.32Å; R857-I859 PolarHBondContact O-N 3.32Å; R857-E860 PolarHBondContact O-N 2.93Å; R857-E861 WeakPolarHBondContact O-CG 3.37Å; R857-E861 PolarHBondContact O-N 2.99Å
858I87.7Confident87.3Confident12 Ų1278.9 Ų78.96%0.06239%0.39CS..Hα-helixtrans-62.6-42.7175.2-62.2170.4000109.9F842 A843 L846 G854 I855 E856 E860 E861 L862 F872F842-I858 HydrophobicContact CD1-CD1 3.73Å; F842-I858 HydrophobicContact CE1-CD1 3.86Å; F842-I858 HydrophobicContact CE1-CG1 4.49Å; A843-I858 HydrophobicContact CB-CD1 4.18Å; L846-I858 HydrophobicContact CD1-CD1 3.64Å; G854-I858 WeakPolarHBondContact O-CG1 3.44Å; G854-I858 PolarHBondContact O-N 3.2Å; I855-I858 WeakPolarHBondContact O-CB 3.5Å; I855-I858 PolarHBondContact O-N 2.87Å; I855-I858 VanDerWaalsContact O-N 3.16Å; E856-I858 PolarHBondContact O-N 3.48Å; I858-E860 VanDerWaalsContact C-N 3.32Å; I858-E860 PolarHBondContact O-N 2.55Å; I858-E861 PolarHBondContact O-N 3.3Å; I858-L862 HydrophobicContact CG2-CD1 4.04Å; I858-L862 HydrophobicContact CG2-CG 4.3Å; I858-L862 VanDerWaalsContact O-CG 3.26Å; I858-L862 WeakPolarHBondContact O-CG 3.45Å; I858-L862 PolarHBondContact O-N 3.28Å; I858-F872 HydrophobicContact CG2-CE2 3.87Å; I858-F872 HydrophobicContact CG2-CZ 4.23Å
859I87.6Confident87.3Confident5 Ų574.5 Ų74.53%0.02637%0.37CS..Hα-helixtrans-60.6-41.3176.2-71.6174000111.2I855 E856 R857 L869 F872 F876 A888 K891I855-I859 HydrophobicContact CG2-CD1 4.32Å; I855-I859 WeakPolarHBondContact O-CG1 3.29Å; I855-I859 PolarHBondContact O-N 3.25Å; E856-I859 WeakPolarHBondContact O-CB 3.39Å; E856-I859 PolarHBondContact O-N 3.23Å; R857-I859 VanDerWaalsContact C-N 3.32Å; R857-I859 PolarHBondContact O-N 3.32Å; I859-L869 HydrophobicContact CB-CD2 4.2Å; I859-L869 HydrophobicContact CG1-CD2 4.12Å; I859-L869 HydrophobicContact CG2-CD2 3.8Å; I859-F872 HydrophobicContact CD1-CB 3.78Å; I859-F872 HydrophobicContact CD1-CD2 4.36Å; I859-F872 HydrophobicContact CD1-CG 4.46Å; I859-F872 HydrophobicContact CG1-CB 4.07Å; I859-F872 HydrophobicContact CG1-CD2 3.7Å; I859-F872 HydrophobicContact CG1-CG 4.27Å; I859-F876 HydrophobicContact CD1-CD2 4.14Å; I859-F876 HydrophobicContact CD1-CE2 3.56Å; I859-A888 HydrophobicContact CD1-CB 4.16Å; I859-K891 HydrophobicContact CG2-CD 4.27Å; I859-K891 PolarHBondContact O-NZ 3.16Å
860E87.5Confident87.2Confident125 Ų12575.2 Ų75.258%0.58437%0.368SS*.Hα-helixtrans-64.1-42.9177.8-73.3-179.517100112.5E856 R857 I858 K891E856-E860 WeakPolarHBondContact O-CG 3.47Å; E856-E860 PolarHBondContact O-N 2.83Å; R857-E860 PolarHBondContact O-N 2.93Å; I858-E860 VanDerWaalsContact C-N 3.32Å; I858-E860 PolarHBondContact O-N 2.55Å; E860-K891 PolarHBondContact O-NZ 2.89Å
861E85.9Confident87.1Confident162 Ų16271.3 Ų71.376%0.75735%0.351SS*.Hα-helixtrans-72-26.7-179.6-71.2177.6-17600113.6R857 I858R857-E861 WeakPolarHBondContact O-CG 3.37Å; R857-E861 PolarHBondContact O-N 2.99Å; I858-E861 PolarHBondContact O-N 3.3Å
862L85.9Confident87.2Confident17 Ų1768.3 Ų68.39%0.08934%0.335CS..SBendtrans-70.2142.3179.2-76.5173.7000112.2L839 I858 H866 A868 L869 F872 K891L839-L862 HydrophobicContact CD1-CD2 4.49Å; I858-L862 HydrophobicContact CG2-CD1 4.04Å; I858-L862 HydrophobicContact CG2-CG 4.3Å; I858-L862 VanDerWaalsContact O-CG 3.26Å; I858-L862 WeakPolarHBondContact O-CG 3.45Å; I858-L862 PolarHBondContact O-N 3.28Å; L862-H866 HydrophobicContact CB-CB 4.32Å; L862-A868 HydrophobicContact CD1-CB 4.27Å; L862-L869 HydrophobicContact CB-CD2 4.19Å; L862-L869 HydrophobicContact CD1-CD2 4.13Å; L862-L869 HydrophobicContact CD1-CG 4.44Å; L862-F872 HydrophobicContact CD1-CD2 4.3Å; L862-F872 HydrophobicContact CD1-CE2 3.7Å; L862-K891 WeakPolarHBondContact O-CE 3.47Å; L862-K891 PolarHBondContact O-NZ 3.34Å
863P86.4Confident87.1Confident86 Ų8665.6 Ų65.656%0.55833%0.325SS*.PPolyproline II helixtrans-59.3149172.6-19.830.4000112.3H866 L869P863-H866 VanDerWaalsContact O-CB 3.28Å; P863-H866 WeakPolarHBondContact O-CB 3.42Å; P863-H866 PolarHBondContact O-N 3.19Å; P863-H866 VanDerWaalsContact O-N 3.17Å; P863-L869 WeakPolarHBondContact O-CD1 3.5Å
864D84.7Confident87.1Confident117 Ų11761.2 Ų61.263%0.62631%0.308SS*.THydrogen-bonded Turntrans-53.7141.7169.5-67.9-6.4000110H866 K891D864-H866 VanDerWaalsContact C-N 3.29Å; D864-H866 PolarHBondContact O-N 3.23Å; D864-K891 WeakPolarHBondContact OD1-CE 3.49Å; D864-K891 WeakPolarHBondContact OD1-CG 3.4Å
865C83.3Confident87.1Confident80 Ų8063.7 Ų63.754%0.54132%0.315SS..THydrogen-bonded Turntrans64.116.7-175.4-55.20000116.6K891C865-K891 PolarHBondContact N-O 3.37Å
866H86.8Confident87.2Confident74 Ų7463.8 Ų63.834%0.34332%0.316SS..  trans-66136.7172.1-172.4-82.7000112.3L862 P863 D864 A868 L869L862-H866 HydrophobicContact CB-CB 4.32Å; P863-H866 VanDerWaalsContact O-CB 3.28Å; P863-H866 WeakPolarHBondContact O-CB 3.42Å; P863-H866 PolarHBondContact O-N 3.19Å; P863-H866 VanDerWaalsContact O-N 3.17Å; D864-H866 VanDerWaalsContact C-N 3.29Å; D864-H866 PolarHBondContact O-N 3.23Å; H866-A868 VanDerWaalsContact C-N 3.28Å; H866-A868 WeakPolarHBondContact ND1-CB 3.37Å; H866-A868 PolarHBondContact ND1-N 2.88Å; H866-A868 VanDerWaalsContact ND1-N 3.17Å; H866-A868 PolarHBondContact O-N 3.16Å; H866-A868 VanDerWaalsContact O-N 3.17Å; H866-L869 HydrophobicContact CB-CD1 4.16Å; H866-L869 HydrophobicContact CB-CG 4.2Å; H866-L869 VanDerWaalsContact O-CB 3.3Å; H866-L869 WeakPolarHBondContact O-CB 3.38Å; H866-L869 PolarHBondContact O-N 3.04Å
867D84.2Confident87.2Confident149 Ų14960.6 Ų60.680%0.79730%0.302SS*.THydrogen-bonded Turntrans-56.4-37.4-173.2-70.1-23.8000113.6L869 Y870D867-L869 VanDerWaalsContact C-N 3.26Å; D867-L869 PolarHBondContact O-N 2.95Å; D867-Y870 PolarHBondContact O-N 3.08Å
868A84.9Confident87.1Confident12 Ų1258.5 Ų58.510%0.09930%0.302CS..Hα-helixtrans-65.2-23.4178.800000114.3L840 L862 H866 Y870 D871 F872L840-A868 HydrophobicContact CD2-CB 3.97Å; L862-A868 HydrophobicContact CD1-CB 4.27Å; H866-A868 VanDerWaalsContact C-N 3.28Å; H866-A868 WeakPolarHBondContact ND1-CB 3.37Å; H866-A868 PolarHBondContact ND1-N 2.88Å; H866-A868 VanDerWaalsContact ND1-N 3.17Å; H866-A868 PolarHBondContact O-N 3.16Å; H866-A868 VanDerWaalsContact O-N 3.17Å; A868-Y870 PolarHBondContact O-N 2.91Å; A868-D871 PolarHBondContact O-N 3.41Å; A868-F872 HydrophobicContact CB-CE2 3.98Å; A868-F872 HydrophobicContact CB-CZ 4.14Å; A868-F872 WeakPolarHBondContact O-CD2 3.38Å; A868-F872 WeakPolarHBondContact O-CG 3.45Å; A868-F872 PolarHBondContact O-N 3.08Å; A868-F872 VanDerWaalsContact O-N 3.13Å
869L88.3Confident87Confident0 Ų061 Ų610%032%0.315CS..Hα-helixtrans-61.2-34.1-179.1-70.1172.7000111.9I859 L862 P863 H866 D867 F872 G873 K891 C892I859-L869 HydrophobicContact CB-CD2 4.2Å; I859-L869 HydrophobicContact CG1-CD2 4.12Å; I859-L869 HydrophobicContact CG2-CD2 3.8Å; L862-L869 HydrophobicContact CB-CD2 4.19Å; L862-L869 HydrophobicContact CD1-CD2 4.13Å; L862-L869 HydrophobicContact CD1-CG 4.44Å; P863-L869 WeakPolarHBondContact O-CD1 3.5Å; H866-L869 HydrophobicContact CB-CD1 4.16Å; H866-L869 HydrophobicContact CB-CG 4.2Å; H866-L869 VanDerWaalsContact O-CB 3.3Å; H866-L869 WeakPolarHBondContact O-CB 3.38Å; H866-L869 PolarHBondContact O-N 3.04Å; D867-L869 VanDerWaalsContact C-N 3.26Å; D867-L869 PolarHBondContact O-N 2.95Å; L869-F872 PolarHBondContact O-N 3.36Å; L869-G873 PolarHBondContact O-N 3.04Å; L869-K891 HydrophobicContact CD1-CB 4.37Å; L869-K891 HydrophobicContact CD1-CD 4.22Å; L869-K891 HydrophobicContact CD1-CG 4.01Å; L869-K891 HydrophobicContact CD2-CD 4.37Å; L869-C892 HydrophobicContact CB-CB 4.25Å
870Y89Confident86.8Confident88 Ų8862.5 Ų62.535%0.34533%0.333SS..Hα-helixtrans-65.6-42.8177.6-176.9-92.9000111.7D867 A868 G873 L874 F889D867-Y870 PolarHBondContact O-N 3.08Å; A868-Y870 PolarHBondContact O-N 2.91Å; Y870-G873 PolarHBondContact O-N 3.46Å; Y870-L874 PolarHBondContact O-N 3.12Å; Y870-F889 HydrophobicContact CD2-CD1 4.44Å; Y870-F889 HydrophobicContact CD2-CE1 4.07Å; Y870-F889 HydrophobicContact CE2-CE1 4.08Å
871D86.9Confident86.8Confident58 Ų5858.9 Ų58.931%0.3132%0.316SS..Hα-helixtrans-65.2-41.6177.9-167.947.1000111A868 L874 R875A868-D871 PolarHBondContact O-N 3.41Å; D871-L874 PolarHBondContact O-N 3.36Å; D871-R875 WeakPolarHBondContact O-CG 3.47Å; D871-R875 PolarHBondContact O-N 3.14Å; D871-R875 IonicContact OD1-NE 2.7Å; D871-R875 IonicContact OD2-CZ 3.75Å; D871-R875 IonicContact OD2-NE 3.69Å; D871-R875 PolarHBondContact OD2-NE 2.84Å; D871-R875 IonicContact OD2-NH2 2.72Å; D871-R875 PolarHBondContact OD2-NH2 3.41Å
872F89.3Confident86.8Confident4 Ų452.7 Ų52.72%0.01829%0.288CS..Hα-helixtrans-65-40.7175.6-56.6-31.8000112.6A843 I855 I858 I859 L862 A868 L869 L874 R875 F876A843-F872 HydrophobicContact CB-CD1 4.49Å; A843-F872 HydrophobicContact CB-CE1 3.42Å; A843-F872 VanDerWaalsContact CB-CE1 3.42Å; A843-F872 HydrophobicContact CB-CZ 3.63Å; I855-F872 HydrophobicContact CG2-CB 4.35Å; I855-F872 HydrophobicContact CG2-CD1 4.28Å; I855-F872 HydrophobicContact CG2-CG 4.2Å; I858-F872 HydrophobicContact CG2-CE2 3.87Å; I858-F872 HydrophobicContact CG2-CZ 4.23Å; I859-F872 HydrophobicContact CD1-CB 3.78Å; I859-F872 HydrophobicContact CD1-CD2 4.36Å; I859-F872 HydrophobicContact CD1-CG 4.46Å; I859-F872 HydrophobicContact CG1-CB 4.07Å; I859-F872 HydrophobicContact CG1-CD2 3.7Å; I859-F872 HydrophobicContact CG1-CG 4.27Å; L862-F872 HydrophobicContact CD1-CD2 4.3Å; L862-F872 HydrophobicContact CD1-CE2 3.7Å; A868-F872 HydrophobicContact CB-CE2 3.98Å; A868-F872 HydrophobicContact CB-CZ 4.14Å; A868-F872 WeakPolarHBondContact O-CD2 3.38Å; A868-F872 WeakPolarHBondContact O-CG 3.45Å; A868-F872 PolarHBondContact O-N 3.08Å; A868-F872 VanDerWaalsContact O-N 3.13Å; L869-F872 PolarHBondContact O-N 3.36Å; F872-L874 VanDerWaalsContact C-N 3.33Å; F872-L874 PolarHBondContact O-N 2.87Å; F872-R875 PolarHBondContact O-N 3.18Å; F872-F876 WeakPolarHBondContact O-CD2 3.46Å; F872-F876 PolarHBondContact O-N 3.4Å
873G88Confident86.9Confident0 Ų060.2 Ų60.20%032%0.32CS..Hα-helixtrans-61-40.4174.100000112.8L869 Y870 F876 A877 F889L869-G873 PolarHBondContact O-N 3.04Å; Y870-G873 PolarHBondContact O-N 3.46Å; G873-F876 PolarHBondContact O-N 3.45Å; G873-A877 WeakPolarHBondContact O-CB 3.43Å; G873-A877 PolarHBondContact O-N 3.11Å; G873-F889 VanDerWaalsContact C-CZ 3.41Å
874L89Confident87Confident57 Ų5758.5 Ų58.530%0.29831%0.305SS..Hα-helixtrans-68.4-41.2176.4-168.968.3000112.2Y870 D871 F872 A877 N878Y870-L874 PolarHBondContact O-N 3.12Å; D871-L874 PolarHBondContact O-N 3.36Å; F872-L874 VanDerWaalsContact C-N 3.33Å; F872-L874 PolarHBondContact O-N 2.87Å; L874-A877 PolarHBondContact O-N 2.92Å; L874-N878 VanDerWaalsContact O-CG 3.25Å; L874-N878 PolarHBondContact O-N 3.33Å; L874-N878 PolarHBondContact O-ND2 3.19Å
875R87.8Confident87.3Confident59 Ų5953 Ų5322%0.22328%0.275CS..Hα-helixtrans-59.4-46.4174.1-73.2176.6-166.4-125.55.7111.4Y847 D871 F872 A877 N878 L879Y847-R875 HydrophobicContact CD2-CB 4.21Å; Y847-R875 HydrophobicContact CD2-CG 4.38Å; Y847-R875 HydrophobicContact CE2-CB 3.83Å; Y847-R875 HydrophobicContact CE2-CG 4.13Å; D871-R875 WeakPolarHBondContact O-CG 3.47Å; D871-R875 PolarHBondContact O-N 3.14Å; D871-R875 IonicContact OD1-NE 2.7Å; D871-R875 IonicContact OD2-CZ 3.75Å; D871-R875 IonicContact OD2-NE 3.69Å; D871-R875 PolarHBondContact OD2-NE 2.84Å; D871-R875 IonicContact OD2-NH2 2.72Å; D871-R875 PolarHBondContact OD2-NH2 3.41Å; F872-R875 PolarHBondContact O-N 3.18Å; R875-A877 PolarHBondContact O-N 3.13Å; R875-N878 PolarHBondContact O-N 2.88Å; R875-L879 WeakPolarHBondContact O-CG 3.47Å; R875-L879 PolarHBondContact O-N 3.25Å; R875-L879 VanDerWaalsContact O-N 3.14Å
876F90.7Very high87.5Confident5 Ų549.9 Ų49.92%0.02225%0.253CS..Hα-helixtrans-64.6-37.7175-76.2-47.6000113Y852 I855 I859 F872 G873 L879 G880 M881 Q884 A885Y852-F876 HydrophobicContact CD1-CE1 4.24Å; Y852-F876 HydrophobicContact CG-CE1 4.38Å; I855-F876 HydrophobicContact CB-CZ 4.03Å; I855-F876 HydrophobicContact CG2-CE2 3.95Å; I855-F876 HydrophobicContact CG2-CZ 3.84Å; I859-F876 HydrophobicContact CD1-CD2 4.14Å; I859-F876 HydrophobicContact CD1-CE2 3.56Å; F872-F876 WeakPolarHBondContact O-CD2 3.46Å; F872-F876 PolarHBondContact O-N 3.4Å; G873-F876 PolarHBondContact O-N 3.45Å; F876-L879 HydrophobicContact CD1-CD1 4.49Å; F876-L879 PolarHBondContact O-N 3.29Å; F876-G880 PolarHBondContact O-N 3.18Å; F876-M881 HydrophobicContact CB-CB 4.26Å; F876-M881 HydrophobicContact CD1-CB 4.1Å; F876-M881 HydrophobicContact CD1-SD 3.78Å; F876-M881 HydrophobicContact CE1-CE 4.43Å; F876-M881 HydrophobicContact CE1-SD 4.01Å; F876-M881 PolarHBondContact O-N 2.92Å; F876-Q884 HydrophobicContact CB-CB 4.24Å; F876-Q884 HydrophobicContact CD1-CB 4.09Å; F876-Q884 HydrophobicContact CD2-CB 3.71Å; F876-Q884 HydrophobicContact CE1-CB 4.38Å; F876-Q884 HydrophobicContact CE2-CB 3.98Å; F876-Q884 HydrophobicContact CG-CB 3.76Å; F876-Q884 HydrophobicContact CZ-CB 4.32Å; F876-A885 HydrophobicContact CB-CB 3.88Å
877A87.8Confident87.7Confident6 Ų650.7 Ų50.75%0.0526%0.257CS..Hα-helixtrans-64-39.7175.800000112.2G873 L874 R875 L879 G880 A885 F889 V901G873-A877 WeakPolarHBondContact O-CB 3.43Å; G873-A877 PolarHBondContact O-N 3.11Å; L874-A877 PolarHBondContact O-N 2.92Å; R875-A877 PolarHBondContact O-N 3.13Å; A877-L879 VanDerWaalsContact C-N 3.3Å; A877-L879 PolarHBondContact O-N 3.41Å; A877-G880 PolarHBondContact O-N 3.16Å; A877-G880 VanDerWaalsContact O-N 3.11Å; A877-A885 HydrophobicContact CB-CB 4.06Å; A877-F889 HydrophobicContact CB-CE2 4.24Å; A877-V901 HydrophobicContact CB-CG1 3.91Å; A877-V901 HydrophobicContact CB-CG2 4.05Å
878N86.8Confident88Confident113 Ų11343.6 Ų43.660%0.60422%0.219SC*.Hα-helixtrans-68.1-29177.1-69.6-17000112.7L874 R875 G880L874-N878 VanDerWaalsContact O-CG 3.25Å; L874-N878 PolarHBondContact O-N 3.33Å; L874-N878 PolarHBondContact O-ND2 3.19Å; R875-N878 PolarHBondContact O-N 2.88Å; N878-G880 VanDerWaalsContact C-N 3.28Å
879L86.6Confident88.2Confident63 Ų6343.2 Ų43.233%0.3322%0.215SC..THydrogen-bonded Turntrans-80.2-4.4172.7-68.1169.7000113.3Y847 Y852 R875 F876 A877 M881Y847-L879 HydrophobicContact CD2-CD1 4.42Å; Y847-L879 HydrophobicContact CE2-CD1 3.67Å; Y847-L879 HydrophobicContact CE2-CG 4.2Å; Y852-L879 HydrophobicContact CD1-CD1 3.94Å; Y852-L879 HydrophobicContact CE1-CD1 3.37Å; R875-L879 WeakPolarHBondContact O-CG 3.47Å; R875-L879 PolarHBondContact O-N 3.25Å; R875-L879 VanDerWaalsContact O-N 3.14Å; F876-L879 HydrophobicContact CD1-CD1 4.49Å; F876-L879 PolarHBondContact O-N 3.29Å; A877-L879 VanDerWaalsContact C-N 3.3Å; A877-L879 PolarHBondContact O-N 3.41Å; L879-M881 VanDerWaalsContact C-N 3.26Å; L879-M881 HydrophobicContact CB-CG 4.12Å; L879-M881 HydrophobicContact CB-SD 4.47Å; L879-M881 HydrophobicContact CD1-SD 4.4Å; L879-M881 PolarHBondContact O-N 3.33Å
880G83.2Confident88.2Confident38 Ų3846.5 Ų46.539%0.39223%0.232SC..THydrogen-bonded Turntrans7411.8-174.800000114.4F876 A877 N878 I882F876-G880 PolarHBondContact O-N 3.18Å; A877-G880 PolarHBondContact O-N 3.16Å; A877-G880 VanDerWaalsContact O-N 3.11Å; N878-G880 VanDerWaalsContact C-N 3.28Å; G880-I882 VanDerWaalsContact C-N 3.34Å; G880-I882 PolarHBondContact O-N 3.28Å
881M87.1Confident88.2Confident49 Ų4944 Ų4424%0.24122%0.223CC..  trans-82.376179.6-66.2-174.876.500111Y852 F876 L879 K883 Q884 A885Y852-M881 HydrophobicContact CD2-CE 4.5Å; Y852-M881 HydrophobicContact CD2-SD 4.07Å; Y852-M881 HydrophobicContact CG-SD 4.09Å; F876-M881 HydrophobicContact CB-CB 4.26Å; F876-M881 HydrophobicContact CD1-CB 4.1Å; F876-M881 HydrophobicContact CD1-SD 3.78Å; F876-M881 HydrophobicContact CE1-CE 4.43Å; F876-M881 HydrophobicContact CE1-SD 4.01Å; F876-M881 PolarHBondContact O-N 2.92Å; L879-M881 VanDerWaalsContact C-N 3.26Å; L879-M881 HydrophobicContact CB-CG 4.12Å; L879-M881 HydrophobicContact CB-SD 4.47Å; L879-M881 HydrophobicContact CD1-SD 4.4Å; L879-M881 PolarHBondContact O-N 3.33Å; M881-K883 PolarHBondContact O-N 2.89Å; M881-Q884 HydrophobicContact CB-CB 4.49Å; M881-Q884 HydrophobicContact CE-CG 4.24Å; M881-Q884 PolarHBondContact O-N 3.38Å; M881-A885 VanDerWaalsContact O-CB 3.31Å; M881-A885 WeakPolarHBondContact O-CB 3.28Å; M881-A885 PolarHBondContact O-N 2.84Å
882I85.3Confident88.2Confident31 Ų3142.2 Ų42.216%0.15922%0.215CC..Hα-helixtrans-60.9-42.9-169-64.5164.3000112.6G880 Q884 A885 V886 L905 E907G880-I882 VanDerWaalsContact C-N 3.34Å; G880-I882 PolarHBondContact O-N 3.28Å; I882-Q884 PolarHBondContact O-N 3.29Å; I882-A885 PolarHBondContact O-N 2.99Å; I882-V886 HydrophobicContact CG2-CG2 3.98Å; I882-V886 VanDerWaalsContact O-CB 3.25Å; I882-V886 WeakPolarHBondContact O-CB 3.2Å; I882-V886 WeakPolarHBondContact O-CG2 3.08Å; I882-V886 PolarHBondContact O-N 2.94Å; I882-L905 HydrophobicContact CD1-CB 3.8Å; I882-L905 HydrophobicContact CD1-CD1 3.94Å; I882-L905 HydrophobicContact CG1-CB 4.24Å; I882-L905 HydrophobicContact CG1-CD1 3.42Å; I882-L905 VanDerWaalsContact CG1-CD1 3.42Å; I882-L905 HydrophobicContact CG1-CG 4.46Å; I882-E907 HydrophobicContact CD1-CB 4.23Å; I882-E907 HydrophobicContact CD1-CG 3.37Å
883K87.9Confident88Confident176 Ų17647.8 Ų47.877%0.76525%0.245SC*.Hα-helixtrans-62.1-45.7-177-66.6-177.8-179.3178.60111.7M881 H887M881-K883 PolarHBondContact O-N 2.89Å; K883-H887 WeakPolarHBondContact O-CB 3.45Å; K883-H887 PolarHBondContact O-N 3.18Å
884Q89.6Confident87.8Confident50 Ų5052.7 Ų52.723%0.23426%0.263CS..Hα-helixtrans-71.4-41.4179.6-65.279.9-2.900111.4F876 M881 I882 H887 A888F876-Q884 HydrophobicContact CB-CB 4.24Å; F876-Q884 HydrophobicContact CD1-CB 4.09Å; F876-Q884 HydrophobicContact CD2-CB 3.71Å; F876-Q884 HydrophobicContact CE1-CB 4.38Å; F876-Q884 HydrophobicContact CE2-CB 3.98Å; F876-Q884 HydrophobicContact CG-CB 3.76Å; F876-Q884 HydrophobicContact CZ-CB 4.32Å; M881-Q884 HydrophobicContact CB-CB 4.49Å; M881-Q884 HydrophobicContact CE-CG 4.24Å; M881-Q884 PolarHBondContact O-N 3.38Å; I882-Q884 PolarHBondContact O-N 3.29Å; Q884-H887 PolarHBondContact O-N 3.01Å; Q884-A888 WeakPolarHBondContact O-CB 3.24Å; Q884-A888 PolarHBondContact O-N 3.5Å
885A90.4Very high87.6Confident0 Ų055 Ų550%027%0.268CS..Hα-helixtrans-60.5-49.6174.900000111.2F876 A877 M881 I882 H887 A888 F889F876-A885 HydrophobicContact CB-CB 3.88Å; A877-A885 HydrophobicContact CB-CB 4.06Å; M881-A885 VanDerWaalsContact O-CB 3.31Å; M881-A885 WeakPolarHBondContact O-CB 3.28Å; M881-A885 PolarHBondContact O-N 2.84Å; I882-A885 PolarHBondContact O-N 2.99Å; A885-H887 VanDerWaalsContact C-N 3.33Å; A885-H887 PolarHBondContact O-N 2.71Å; A885-A888 PolarHBondContact O-N 3.38Å; A885-F889 HydrophobicContact CB-CD2 4.41Å; A885-F889 HydrophobicContact CB-CE2 4.21Å; A885-F889 WeakPolarHBondContact O-CB 3.46Å; A885-F889 WeakPolarHBondContact O-CD2 3.45Å; A885-F889 WeakPolarHBondContact O-CG 3.26Å; A885-F889 PolarHBondContact O-N 3.17Å
886V88.9Confident87.5Confident15 Ų1558.7 Ų58.79%0.09129%0.286CS..Hα-helixtrans-61.1-41.5177.21700000110.6I882 F889 I890 A898 L914I882-V886 HydrophobicContact CG2-CG2 3.98Å; I882-V886 VanDerWaalsContact O-CB 3.25Å; I882-V886 WeakPolarHBondContact O-CB 3.2Å; I882-V886 WeakPolarHBondContact O-CG2 3.08Å; I882-V886 PolarHBondContact O-N 2.94Å; V886-F889 PolarHBondContact O-N 3.21Å; V886-I890 HydrophobicContact CG1-CD1 3.54Å; V886-I890 HydrophobicContact CG1-CG1 4.23Å; V886-I890 WeakPolarHBondContact O-CB 3.4Å; V886-I890 WeakPolarHBondContact O-CG1 3.38Å; V886-I890 PolarHBondContact O-N 3.27Å; V886-A898 HydrophobicContact CG1-CB 4.26Å; V886-A898 HydrophobicContact CG2-CB 4.26Å; V886-L914 HydrophobicContact CG1-CD1 4.23Å; V886-L914 HydrophobicContact CG1-CD2 4.28Å; V886-L914 HydrophobicContact CG2-CD1 4.42Å
887H90.1Very high87.2Confident92 Ų9261.1 Ų61.143%0.42630%0.297SS..Hα-helixtrans-61.3-47.8175.7-174.564.5000112.3K883 Q884 A885 F889 I890 K891K883-H887 WeakPolarHBondContact O-CB 3.45Å; K883-H887 PolarHBondContact O-N 3.18Å; Q884-H887 PolarHBondContact O-N 3.01Å; A885-H887 VanDerWaalsContact C-N 3.33Å; A885-H887 PolarHBondContact O-N 2.71Å; H887-F889 PolarHBondContact O-N 2.65Å; H887-I890 PolarHBondContact O-N 3.13Å; H887-K891 WeakPolarHBondContact O-CB 3.38Å; H887-K891 PolarHBondContact O-N 3.04Å
888A90.3Very high87.2Confident0 Ų060.9 Ų60.90%030%0.295CS..Hα-helixtrans-61.9-43.2177.400000112.2I859 Q884 A885 K891 C892I859-A888 HydrophobicContact CD1-CB 4.16Å; Q884-A888 WeakPolarHBondContact O-CB 3.24Å; Q884-A888 PolarHBondContact O-N 3.5Å; A885-A888 PolarHBondContact O-N 3.38Å; A888-K891 PolarHBondContact O-N 3.48Å; A888-C892 WeakPolarHBondContact O-CB 3.31Å; A888-C892 PolarHBondContact O-N 2.93Å
889F90.3Very high87Confident4 Ų455.8 Ų55.82%0.01827%0.268CS..Hα-helixtrans-67.9-37.3176.8-71.9-52.8000112.7Y870 G873 A877 A885 V886 H887 C892 N893 R894 E897 A898 V901Y870-F889 HydrophobicContact CD2-CD1 4.44Å; Y870-F889 HydrophobicContact CD2-CE1 4.07Å; Y870-F889 HydrophobicContact CE2-CE1 4.08Å; G873-F889 VanDerWaalsContact C-CZ 3.41Å; A877-F889 HydrophobicContact CB-CE2 4.24Å; A885-F889 HydrophobicContact CB-CD2 4.41Å; A885-F889 HydrophobicContact CB-CE2 4.21Å; A885-F889 WeakPolarHBondContact O-CB 3.46Å; A885-F889 WeakPolarHBondContact O-CD2 3.45Å; A885-F889 WeakPolarHBondContact O-CG 3.26Å; A885-F889 PolarHBondContact O-N 3.17Å; V886-F889 PolarHBondContact O-N 3.21Å; H887-F889 PolarHBondContact O-N 2.65Å; F889-C892 CarbonylContact O-C 3.58Å; F889-C892 PolarHBondContact O-N 3.22Å; F889-N893 PolarHBondContact O-N 3.04Å; F889-R894 HydrophobicContact CB-CB 4.45Å; F889-R894 HydrophobicContact CD1-CB 4.41Å; F889-R894 WeakPolarHBondContact O-CA 3.48Å; F889-R894 PolarHBondContact O-N 2.93Å; F889-E897 HydrophobicContact CD1-CB 4.28Å; F889-E897 HydrophobicContact CG-CB 4.47Å; F889-A898 HydrophobicContact CB-CB 4.05Å; F889-V901 HydrophobicContact CD2-CG2 4.5Å; F889-V901 HydrophobicContact CE2-CG2 3.87Å
890I87.8Confident87Confident68 Ų6855.4 Ų55.435%0.34927%0.266SS..Hα-helixtrans-64.7-42.9173.6-70.3169.2000110.4V886 H887 C892 N893 R895 L914V886-I890 HydrophobicContact CG1-CD1 3.54Å; V886-I890 HydrophobicContact CG1-CG1 4.23Å; V886-I890 WeakPolarHBondContact O-CB 3.4Å; V886-I890 WeakPolarHBondContact O-CG1 3.38Å; V886-I890 PolarHBondContact O-N 3.27Å; H887-I890 PolarHBondContact O-N 3.13Å; I890-C892 VanDerWaalsContact C-N 3.26Å; I890-C892 PolarHBondContact O-N 3.22Å; I890-N893 WeakPolarHBondContact O-CA 3.3Å; I890-N893 PolarHBondContact O-N 3.18Å; I890-R895 HydrophobicContact CG1-CG 4.49Å; I890-L914 HydrophobicContact CD1-CD2 4.49Å
891K88.8Confident87.1Confident37 Ų3753.8 Ų53.816%0.16125%0.249CC..Hα-helixtrans-66.5-26.3177-160.4176.4179.7-178.90113I859 E860 L862 D864 C865 L869 H887 A888 N893I859-K891 HydrophobicContact CG2-CD 4.27Å; I859-K891 PolarHBondContact O-NZ 3.16Å; E860-K891 PolarHBondContact O-NZ 2.89Å; L862-K891 WeakPolarHBondContact O-CE 3.47Å; L862-K891 PolarHBondContact O-NZ 3.34Å; D864-K891 WeakPolarHBondContact OD1-CE 3.49Å; D864-K891 WeakPolarHBondContact OD1-CG 3.4Å; C865-K891 PolarHBondContact N-O 3.37Å; L869-K891 HydrophobicContact CD1-CB 4.37Å; L869-K891 HydrophobicContact CD1-CD 4.22Å; L869-K891 HydrophobicContact CD1-CG 4.01Å; L869-K891 HydrophobicContact CD2-CD 4.37Å; H887-K891 WeakPolarHBondContact O-CB 3.38Å; H887-K891 PolarHBondContact O-N 3.04Å; A888-K891 PolarHBondContact O-N 3.48Å; K891-N893 VanDerWaalsContact C-N 3.29Å
892C87.2Confident87Confident20 Ų2051.5 Ų51.514%0.13524%0.237CC..THydrogen-bonded Turntrans-84.94.2171.1-164.20000113.3L869 A888 F889 I890 R894L869-C892 HydrophobicContact CB-CB 4.25Å; A888-C892 WeakPolarHBondContact O-CB 3.31Å; A888-C892 PolarHBondContact O-N 2.93Å; F889-C892 CarbonylContact O-C 3.58Å; F889-C892 PolarHBondContact O-N 3.22Å; I890-C892 VanDerWaalsContact C-N 3.26Å; I890-C892 PolarHBondContact O-N 3.22Å; C892-R894 VanDerWaalsContact C-N 3.32Å; C892-R894 HydrophobicContact CB-CG 4.19Å; C892-R894 WeakPolarHBondContact O-CG 3.38Å; C892-R894 PolarHBondContact O-N 3.42Å
893N85.1Confident86.9Confident121 Ų12151 Ų5165%0.64724%0.235SC*.THydrogen-bonded Turntrans56.637.5-175.9-159.923.6000114.7F889 I890 K891F889-N893 PolarHBondContact O-N 3.04Å; I890-N893 WeakPolarHBondContact O-CA 3.3Å; I890-N893 PolarHBondContact O-N 3.18Å; K891-N893 VanDerWaalsContact C-N 3.29Å
894R84.2Confident86.6Confident103 Ų10350.3 Ų50.339%0.38923%0.228SC..  trans-118.659.3-174.2-67.8-107.6-169.4162.74.7111.3F889 C892 K896 E897 A898F889-R894 HydrophobicContact CB-CB 4.45Å; F889-R894 HydrophobicContact CD1-CB 4.41Å; F889-R894 WeakPolarHBondContact O-CA 3.48Å; F889-R894 PolarHBondContact O-N 2.93Å; C892-R894 VanDerWaalsContact C-N 3.32Å; C892-R894 HydrophobicContact CB-CG 4.19Å; C892-R894 WeakPolarHBondContact O-CG 3.38Å; C892-R894 PolarHBondContact O-N 3.42Å; R894-K896 PolarHBondContact O-N 2.96Å; R894-E897 WeakPolarHBondContact CA-OE2 3.48Å; R894-E897 HydrophobicContact CB-CB 4.36Å; R894-E897 HydrophobicContact CB-CG 4.46Å; R894-E897 WeakPolarHBondContact CB-OE2 3.49Å; R894-E897 VanDerWaalsContact CD-CD 3.4Å; R894-E897 WeakPolarHBondContact CD-OE1 3.3Å; R894-E897 IonicContact CZ-OE1 3.19Å; R894-E897 IonicContact NE-OE1 2.79Å; R894-E897 IonicContact NH1-OE1 3.62Å; R894-E897 PolarHBondContact NH1-OE1 3.34Å; R894-E897 PolarHBondContact O-N 3.44Å; R894-A898 PolarHBondContact O-N 2.98Å
895R84.2Confident86.2Confident104 Ų10450.9 Ų50.939%0.39223%0.232SC..Hα-helixtrans-67.1-30.7-174.2-67.9-175.3-1751632.8114I890 E897 A898 I899I890-R895 HydrophobicContact CG1-CG 4.49Å; R895-E897 VanDerWaalsContact C-N 3.34Å; R895-A898 WeakPolarHBondContact O-CB 3.37Å; R895-A898 PolarHBondContact O-N 3.43Å; R895-I899 PolarHBondContact O-N 2.8Å
896K84.6Confident85.5Confident138 Ų13854.8 Ų54.860%0.625%0.253SS*.Hα-helixtrans-63.3-44.1176.7-74.7-178.2178.91750110.5R894 A898 I899 D900R894-K896 PolarHBondContact O-N 2.96Å; K896-A898 VanDerWaalsContact C-N 3.3Å; K896-A898 PolarHBondContact O-N 2.88Å; K896-I899 PolarHBondContact O-N 3.48Å; K896-D900 PolarHBondContact O-N 3.23Å
897E85.7Confident85Confident55 Ų5557.6 Ų57.626%0.25727%0.265SS..Hα-helixtrans-62.1-37.5174.7-6688.7154.300111.8F889 R894 R895 D900 V901F889-E897 HydrophobicContact CD1-CB 4.28Å; F889-E897 HydrophobicContact CG-CB 4.47Å; R894-E897 WeakPolarHBondContact CA-OE2 3.48Å; R894-E897 HydrophobicContact CB-CB 4.36Å; R894-E897 HydrophobicContact CB-CG 4.46Å; R894-E897 WeakPolarHBondContact CB-OE2 3.49Å; R894-E897 VanDerWaalsContact CD-CD 3.4Å; R894-E897 WeakPolarHBondContact CD-OE1 3.3Å; R894-E897 IonicContact CZ-OE1 3.19Å; R894-E897 IonicContact NE-OE1 2.79Å; R894-E897 IonicContact NH1-OE1 3.62Å; R894-E897 PolarHBondContact NH1-OE1 3.34Å; R894-E897 PolarHBondContact O-N 3.44Å; R895-E897 VanDerWaalsContact C-N 3.34Å; E897-D900 PolarHBondContact O-N 2.6Å; E897-V901 WeakPolarHBondContact O-CB 3.33Å; E897-V901 VanDerWaalsContact O-CG2 3.26Å; E897-V901 WeakPolarHBondContact O-CG2 3.41Å; E897-V901 PolarHBondContact O-N 2.84Å
898A86.8Confident84.3Confident1 Ų154 Ų541%0.00825%0.248CC..Hα-helixtrans-61.5-43.6173.600000112.6V886 F889 R894 R895 K896 V901 C902V886-A898 HydrophobicContact CG1-CB 4.26Å; V886-A898 HydrophobicContact CG2-CB 4.26Å; F889-A898 HydrophobicContact CB-CB 4.05Å; R894-A898 PolarHBondContact O-N 2.98Å; R895-A898 WeakPolarHBondContact O-CB 3.37Å; R895-A898 PolarHBondContact O-N 3.43Å; K896-A898 VanDerWaalsContact C-N 3.3Å; K896-A898 PolarHBondContact O-N 2.88Å; A898-V901 PolarHBondContact O-N 3.46Å; A898-C902 PolarHBondContact O-N 2.97Å; A898-C902 VanDerWaalsContact O-N 3.09Å; A898-C902 PolarHBondContact O-SG 2.93Å
899I84Confident83.7Confident6 Ų662.2 Ų62.23%0.03128%0.279CS..Hα-helixtrans-66.3-44.7175.7-65.6169.8000110.6R895 K896 V901 C902 L903 L914 I918R895-I899 PolarHBondContact O-N 2.8Å; K896-I899 PolarHBondContact O-N 3.48Å; I899-V901 VanDerWaalsContact C-N 3.3Å; I899-V901 PolarHBondContact O-N 3.5Å; I899-C902 WeakPolarHBondContact O-CB 3.4Å; I899-C902 PolarHBondContact O-N 3.23Å; I899-C902 VanDerWaalsContact O-N 3.12Å; I899-L903 HydrophobicContact CG2-CD1 4Å; I899-L903 HydrophobicContact CG2-CG 4.31Å; I899-L903 WeakPolarHBondContact O-CG 2.8Å; I899-L903 PolarHBondContact O-N 3.02Å; I899-L914 HydrophobicContact CG1-CB 3.97Å; I899-L914 HydrophobicContact CG1-CD1 4.43Å; I899-I918 HydrophobicContact CD1-CD1 3.94Å
900D85.9Confident83.2Confident56 Ų5664.2 Ų64.230%0.29929%0.291SS..Hα-helixtrans-64.2-34.9179.7-72.7-24.7000111.7K896 E897 L903 R904 R934K896-D900 PolarHBondContact O-N 3.23Å; E897-D900 PolarHBondContact O-N 2.6Å; D900-L903 PolarHBondContact O-N 3.15Å; D900-R904 WeakPolarHBondContact O-CB 3.45Å; D900-R904 PolarHBondContact O-N 3.01Å; D900-R934 IonicContact OD1-NH2 3.14Å; D900-R934 PolarHBondContact OD1-NH2 3.02Å
901V86Confident82.9Confident4 Ų461 Ų612%0.02427%0.274CS..Hα-helixtrans-66.3-42.4172.1168.30000110.9A877 F889 E897 A898 I899 L903 R904 L905A877-V901 HydrophobicContact CB-CG1 3.91Å; A877-V901 HydrophobicContact CB-CG2 4.05Å; F889-V901 HydrophobicContact CD2-CG2 4.5Å; F889-V901 HydrophobicContact CE2-CG2 3.87Å; E897-V901 WeakPolarHBondContact O-CB 3.33Å; E897-V901 VanDerWaalsContact O-CG2 3.26Å; E897-V901 WeakPolarHBondContact O-CG2 3.41Å; E897-V901 PolarHBondContact O-N 2.84Å; A898-V901 PolarHBondContact O-N 3.46Å; I899-V901 VanDerWaalsContact C-N 3.3Å; I899-V901 PolarHBondContact O-N 3.5Å; V901-L903 PolarHBondContact O-N 3.1Å; V901-R904 PolarHBondContact O-N 2.97Å; V901-L905 HydrophobicContact CG1-CD1 3.67Å; V901-L905 HydrophobicContact CG1-CG 4.43Å; V901-L905 WeakPolarHBondContact O-CB 3.27Å; V901-L905 WeakPolarHBondContact O-CG 3.34Å; V901-L905 PolarHBondContact O-N 3.48Å
902C84.7Confident82.3Confident0 Ų061.2 Ų61.20%028%0.275CS..Hα-helixtrans-61.8-42.9175.2-64.80000111.8A898 I899 L905 N906 E907 A911A898-C902 PolarHBondContact O-N 2.97Å; A898-C902 VanDerWaalsContact O-N 3.09Å; A898-C902 PolarHBondContact O-SG 2.93Å; I899-C902 WeakPolarHBondContact O-CB 3.4Å; I899-C902 PolarHBondContact O-N 3.23Å; I899-C902 VanDerWaalsContact O-N 3.12Å; C902-L905 CarbonylContact O-C 3.54Å; C902-L905 PolarHBondContact O-N 3.13Å; C902-N906 PolarHBondContact O-N 3.43Å; C902-N906 VanDerWaalsContact O-N 3.15Å; C902-E907 PolarHBondContact O-N 3.29Å; C902-A911 HydrophobicContact CB-CB 4.04Å
903L82.9Confident81.9Confident21 Ų2165.2 Ų65.211%0.1129%0.291CS..Hα-helixtrans-65.3-42.4176-68.8172.9000111.8I899 D900 V901 L905 N906 W908 A911 I935 L938I899-L903 HydrophobicContact CG2-CD1 4Å; I899-L903 HydrophobicContact CG2-CG 4.31Å; I899-L903 WeakPolarHBondContact O-CG 2.8Å; I899-L903 PolarHBondContact O-N 3.02Å; D900-L903 PolarHBondContact O-N 3.15Å; V901-L903 PolarHBondContact O-N 3.1Å; L903-L905 VanDerWaalsContact C-N 3.28Å; L903-L905 PolarHBondContact O-N 3.31Å; L903-N906 PolarHBondContact O-N 2.89Å; L903-W908 HydrophobicContact CD2-CD2 4.39Å; L903-W908 HydrophobicContact CD2-CE3 3.78Å; L903-W908 HydrophobicContact CD2-CH2 4.32Å; L903-W908 HydrophobicContact CD2-CZ3 3.74Å; L903-A911 HydrophobicContact CD2-CB 3.8Å; L903-A911 HydrophobicContact CG-CB 4.13Å; L903-I935 HydrophobicContact CD2-CG1 4.38Å; L903-I935 HydrophobicContact CD2-CG2 4.35Å; L903-L938 HydrophobicContact CD1-CD1 4.45Å
904R81.8Confident81.7Confident161 Ų16160.7 Ų60.761%0.60827%0.267SS*.Hα-helixtrans-66.3-31.8179-160.1-171-47.5155.87112.3D900 V901 N906D900-R904 WeakPolarHBondContact O-CB 3.45Å; D900-R904 PolarHBondContact O-N 3.01Å; V901-R904 PolarHBondContact O-N 2.97Å; R904-N906 VanDerWaalsContact C-N 3.35Å
905L81Confident81.3Confident62 Ų6255.8 Ų55.833%0.32525%0.249SC..THydrogen-bonded Turntrans-94.214.1177-62.6173.1000112.8I882 V901 C902 L903 E907I882-L905 HydrophobicContact CD1-CB 3.8Å; I882-L905 HydrophobicContact CD1-CD1 3.94Å; I882-L905 HydrophobicContact CG1-CB 4.24Å; I882-L905 HydrophobicContact CG1-CD1 3.42Å; I882-L905 VanDerWaalsContact CG1-CD1 3.42Å; I882-L905 HydrophobicContact CG1-CG 4.46Å; V901-L905 HydrophobicContact CG1-CD1 3.67Å; V901-L905 HydrophobicContact CG1-CG 4.43Å; V901-L905 WeakPolarHBondContact O-CB 3.27Å; V901-L905 WeakPolarHBondContact O-CG 3.34Å; V901-L905 PolarHBondContact O-N 3.48Å; C902-L905 CarbonylContact O-C 3.54Å; C902-L905 PolarHBondContact O-N 3.13Å; L903-L905 VanDerWaalsContact C-N 3.28Å; L903-L905 PolarHBondContact O-N 3.31Å; L905-E907 PolarHBondContact O-N 2.96Å
906N75.1Confident80.8Confident83 Ų8356.9 Ų56.944%0.44426%0.256SS..THydrogen-bonded Turntrans57.123.5176.9-76.6-33.7000116C902 L903 R904 W908C902-N906 PolarHBondContact O-N 3.43Å; C902-N906 VanDerWaalsContact O-N 3.15Å; L903-N906 PolarHBondContact O-N 2.89Å; R904-N906 VanDerWaalsContact C-N 3.35Å; N906-W908 VanDerWaalsContact C-N 3.27Å; N906-W908 PolarHBondContact O-N 2.83Å; N906-W908 VanDerWaalsContact O-N 3.1Å; N906-W908 PolarHBondContact OD1-NE1 2.91Å
907E78Confident80.1Confident74 Ų7453.3 Ų53.335%0.34625%0.249SC..  trans-88.464.4172.5-74.5-61.5164.600111I882 C902 L905 R909 V910 A911I882-E907 HydrophobicContact CD1-CB 4.23Å; I882-E907 HydrophobicContact CD1-CG 3.37Å; C902-E907 PolarHBondContact O-N 3.29Å; L905-E907 PolarHBondContact O-N 2.96Å; E907-R909 PolarHBondContact O-N 2.81Å; E907-V910 HydrophobicContact CB-CB 4.25Å; E907-V910 HydrophobicContact CB-CG2 4.22Å; E907-V910 PolarHBondContact O-N 2.96Å; E907-V910 VanDerWaalsContact O-N 3.14Å; E907-A911 PolarHBondContact O-N 3Å
908W77.1Confident79.2Confident16 Ų1652.6 Ų52.66%0.06125%0.246CC..Hα-helixtrans-57.3-33.8-176.4-63.688.1000112.8L903 N906 A911 Y912 I935 L938 L939L903-W908 HydrophobicContact CD2-CD2 4.39Å; L903-W908 HydrophobicContact CD2-CE3 3.78Å; L903-W908 HydrophobicContact CD2-CH2 4.32Å; L903-W908 HydrophobicContact CD2-CZ3 3.74Å; N906-W908 VanDerWaalsContact C-N 3.27Å; N906-W908 PolarHBondContact O-N 2.83Å; N906-W908 VanDerWaalsContact O-N 3.1Å; N906-W908 PolarHBondContact OD1-NE1 2.91Å; W908-A911 PolarHBondContact O-N 3.02Å; W908-Y912 WeakPolarHBondContact O-CD2 3.39Å; W908-Y912 PolarHBondContact O-N 3.03Å; W908-I935 HydrophobicContact CE3-CG2 3.69Å; W908-I935 HydrophobicContact CZ3-CG2 3.99Å; W908-L938 HydrophobicContact CH2-CB 3.93Å; W908-L938 HydrophobicContact CZ3-CB 4Å; W908-L939 HydrophobicContact CD2-CD1 4.04Å; W908-L939 HydrophobicContact CE3-CB 4.25Å; W908-L939 HydrophobicContact CE3-CD1 4.21Å; W908-L939 HydrophobicContact CG-CD1 4.44Å; W908-L939 HydrophobicContact CH2-CB 4.47Å; W908-L939 HydrophobicContact CZ3-CB 4.02Å
909R76.1Confident77.4Confident172 Ų17256 Ų5665%0.64926%0.264SS*.Hα-helixtrans-65.4-47.7176.7-177.3179.2172.3161.5-0.1112.1E907 A911 Y912 E913E907-R909 PolarHBondContact O-N 2.81Å; R909-A911 VanDerWaalsContact C-N 3.29Å; R909-A911 PolarHBondContact O-N 3.39Å; R909-Y912 WeakPolarHBondContact O-CB 3.48Å; R909-Y912 PolarHBondContact O-N 2.89Å; R909-E913 IonicContact CZ-OE1 3.61Å; R909-E913 IonicContact NE-OE1 2.71Å; R909-E913 PolarHBondContact NE-OE1 3.1Å; R909-E913 VanDerWaalsContact NE-OE1 3.11Å; R909-E913 IonicContact NH2-OE1 3.33Å; R909-E913 WeakPolarHBondContact O-CG 3.44Å; R909-E913 PolarHBondContact O-N 2.88Å
910V80.4Confident75.9Confident46 Ų4660.9 Ų60.928%0.27930%0.299SS..Hα-helixtrans-65.9-36.4177.3-176.50000110.1E907 Y912 E913 L914E907-V910 HydrophobicContact CB-CB 4.25Å; E907-V910 HydrophobicContact CB-CG2 4.22Å; E907-V910 PolarHBondContact O-N 2.96Å; E907-V910 VanDerWaalsContact O-N 3.14Å; V910-Y912 PolarHBondContact O-N 2.89Å; V910-E913 PolarHBondContact O-N 2.88Å; V910-L914 HydrophobicContact CG1-CD1 3.93Å; V910-L914 HydrophobicContact CG1-CG 4.21Å; V910-L914 VanDerWaalsContact O-CB 3.29Å; V910-L914 WeakPolarHBondContact O-CB 3.09Å; V910-L914 WeakPolarHBondContact O-CG 3.26Å; V910-L914 PolarHBondContact O-N 3.49Å
911A80.8Confident74.3Confident0 Ų066 Ų660%032%0.321CS..Hα-helixtrans-60.9-42.4172.100000112.1C902 L903 E907 W908 R909 A915 I935C902-A911 HydrophobicContact CB-CB 4.04Å; L903-A911 HydrophobicContact CD2-CB 3.8Å; L903-A911 HydrophobicContact CG-CB 4.13Å; E907-A911 PolarHBondContact O-N 3Å; W908-A911 PolarHBondContact O-N 3.02Å; R909-A911 VanDerWaalsContact C-N 3.29Å; R909-A911 PolarHBondContact O-N 3.39Å; A911-A915 WeakPolarHBondContact O-CB 3.33Å; A911-A915 PolarHBondContact O-N 2.79Å; A911-I935 HydrophobicContact CB-CD1 4.43Å
912Y77.1Confident72.5Confident43 Ų4371.4 Ų71.417%0.16935%0.35CS..Hα-helixtrans-65.9-40.7173.8-98.1-74.2000112.8W908 R909 V910 K916 E932 I935 D936W908-Y912 WeakPolarHBondContact O-CD2 3.39Å; W908-Y912 PolarHBondContact O-N 3.03Å; R909-Y912 WeakPolarHBondContact O-CB 3.48Å; R909-Y912 PolarHBondContact O-N 2.89Å; V910-Y912 PolarHBondContact O-N 2.89Å; Y912-K916 WeakPolarHBondContact O-CB 3.47Å; Y912-K916 WeakPolarHBondContact O-CG 3.39Å; Y912-K916 PolarHBondContact O-N 3.21Å; Y912-E932 HydrophobicContact CD1-CG 4.21Å; Y912-E932 HydrophobicContact CE1-CB 4.22Å; Y912-E932 HydrophobicContact CE1-CG 4Å; Y912-I935 HydrophobicContact CD2-CG2 3.79Å; Y912-I935 HydrophobicContact CE2-CB 4.21Å; Y912-I935 HydrophobicContact CE2-CG2 3.35Å; Y912-D936 PolarHBondContact OH-OD1 3.44Å; Y912-D936 VanDerWaalsContact OH-OD1 3.05Å; Y912-D936 PolarHBondContact OH-OD2 3.39Å
913E79.3Confident70.9Confident103 Ų10376.4 Ų76.448%0.48139%0.391SS..Hα-helixtrans-67.3-43.1177.2-72.1174.8-168.400111.4R909 V910 K916 S917R909-E913 IonicContact CZ-OE1 3.61Å; R909-E913 IonicContact NE-OE1 2.71Å; R909-E913 PolarHBondContact NE-OE1 3.1Å; R909-E913 VanDerWaalsContact NE-OE1 3.11Å; R909-E913 IonicContact NH2-OE1 3.33Å; R909-E913 WeakPolarHBondContact O-CG 3.44Å; R909-E913 PolarHBondContact O-N 2.88Å; V910-E913 PolarHBondContact O-N 2.88Å; E913-K916 PolarHBondContact O-N 3.23Å; E913-S917 WeakPolarHBondContact O-CB 3.41Å; E913-S917 PolarHBondContact O-N 2.77Å
914L79.4Confident69.4Low27 Ų2780.5 Ų80.514%0.14141%0.413CS..Hα-helixtrans-64.5-44.9174.3-77.3170.9000111.4V886 I890 I899 V910 K916 S917V886-L914 HydrophobicContact CG1-CD1 4.23Å; V886-L914 HydrophobicContact CG1-CD2 4.28Å; V886-L914 HydrophobicContact CG2-CD1 4.42Å; I890-L914 HydrophobicContact CD1-CD2 4.49Å; I899-L914 HydrophobicContact CG1-CB 3.97Å; I899-L914 HydrophobicContact CG1-CD1 4.43Å; V910-L914 HydrophobicContact CG1-CD1 3.93Å; V910-L914 HydrophobicContact CG1-CG 4.21Å; V910-L914 VanDerWaalsContact O-CB 3.29Å; V910-L914 WeakPolarHBondContact O-CB 3.09Å; V910-L914 WeakPolarHBondContact O-CG 3.26Å; V910-L914 PolarHBondContact O-N 3.49Å; L914-K916 PolarHBondContact O-N 3.38Å; L914-S917 WeakPolarHBondContact CA-OG 3.49Å; L914-S917 PolarHBondContact O-N 3.28Å; L914-S917 VanDerWaalsContact O-N 3.07Å; L914-S917 PolarHBondContact O-OG 3.17Å
915A76.3Confident67.9Low0 Ų079.9 Ų79.90%042%0.417CS..Hα-helixtrans-60.4-35.8174.400000111.5A911 S917 H928 Q931 I935A911-A915 WeakPolarHBondContact O-CB 3.33Å; A911-A915 PolarHBondContact O-N 2.79Å; A915-S917 VanDerWaalsContact C-N 3.32Å; A915-H928 PolarHBondContact O-CE1 3.48Å; A915-H928 PolarHBondContact O-NE2 2.96Å; A915-Q931 HydrophobicContact CB-CB 4.38Å; A915-I935 HydrophobicContact CB-CD1 3.79Å
916K73Confident66.6Low126 Ų12684.3 Ų84.355%0.54844%0.436SS..Hα-helixtrans-70.9-24.7174.6-83.2-178.9-179.6177.80114.5Y912 E913 L914 H928 E932Y912-K916 WeakPolarHBondContact O-CB 3.47Å; Y912-K916 WeakPolarHBondContact O-CG 3.39Å; Y912-K916 PolarHBondContact O-N 3.21Å; E913-K916 PolarHBondContact O-N 3.23Å; L914-K916 PolarHBondContact O-N 3.38Å; K916-H928 VanDerWaalsContact C-CE1 3.5Å; K916-H928 WeakPolarHBondContact CA-CE1 3.35Å; K916-H928 PolarHBondContact O-CE1 3.11Å; K916-H928 PolarHBondContact O-NE2 3.36Å; K916-E932 WeakPolarHBondContact CE-OE1 3.32Å
917S71.4Confident65.9Low63 Ų6385 Ų8544%0.44144%0.436SS..THydrogen-bonded Turntrans-86.6-2.7-177.472.50000114.2E913 L914 A915 D919E913-S917 WeakPolarHBondContact O-CB 3.41Å; E913-S917 PolarHBondContact O-N 2.77Å; L914-S917 WeakPolarHBondContact CA-OG 3.49Å; L914-S917 PolarHBondContact O-N 3.28Å; L914-S917 VanDerWaalsContact O-N 3.07Å; L914-S917 PolarHBondContact O-OG 3.17Å; A915-S917 VanDerWaalsContact C-N 3.32Å; S917-D919 PolarHBondContact O-N 2.75Å
918I65.2Low64.9Low41 Ų4182.8 Ų82.821%0.2143%0.426CS..THydrogen-bonded Turntrans-63.8-21.4179.3-62.8176.9000111I899 S920I899-I918 HydrophobicContact CD1-CD1 3.94Å; I918-S920 PolarHBondContact O-N 3.06Å
919D50.9Low64.2Low71 Ų7188.1 Ų88.138%0.3845%0.451SS..THydrogen-bonded Turntrans-73.7102173.7-84.2-11.6000113.4S917 H925 H928S917-D919 PolarHBondContact O-N 2.75Å; D919-H925 IonicContact OD1-ND1 3.82Å; D919-H925 IonicContact OD2-CE1 2.68Å; D919-H925 IonicContact OD2-ND1 3.76Å; D919-H928 VanDerWaalsContact CG-CD2 3.49Å; D919-H928 PolarHBondContact N-NE2 2.66Å; D919-H928 IonicContact OD1-CD2 3.58Å; D919-H928 PolarHBondContact OD1-CD2 3.25Å; D919-H928 IonicContact OD1-NE2 3.73Å; D919-H928 IonicContact OD2-CD2 3.63Å; D919-H928 IonicContact OD2-CE1 3.52Å; D919-H928 IonicContact OD2-NE2 3.46Å
920S51.7Low63.9Low109 Ų10985.7 Ų85.776%0.76245%0.447SS*.THydrogen-bonded Turntrans-172.5-12.2136.647.80000114.2I918I918-S920 PolarHBondContact O-N 3.06Å
921Q52.2Low63.4Low163 Ų16384.8 Ų84.876%0.76244%0.44SS*.THydrogen-bonded Turntrans-124.3-18.2-174.4-68.3-174-12.300115.6
922D48.8Very low62.9Low119 Ų11987.3 Ų87.364%0.63645%0.452SS*.  trans-108.1128.6178.4-68.4-36.4000110.9D924D922-D924 PolarHBondContact O-N 3.44Å
923A49.6Very low63Low105 Ų10591.4 Ų91.487%0.86847%0.471SS*.SBendtrans-7214-170.800000115.2
924D51.3Low63.1Low107 Ų10791.9 Ų91.957%0.57247%0.468SS*.  trans-110.578.1-172.4-73.8-25.3000112D922 H926 H927D922-D924 PolarHBondContact O-N 3.44Å; D924-H926 PolarHBondContact O-N 3.36Å; D924-H927 PolarHBondContact O-N 2.89Å; D924-H927 VanDerWaalsContact O-N 3.08Å
925H50.5Low63.1Low147 Ų14790.6 Ų90.668%0.68146%0.461SS*.THydrogen-bonded Turntrans-53.8-17170.3-90.9-47000113.9D919D919-H925 IonicContact OD1-ND1 3.82Å; D919-H925 IonicContact OD2-CE1 2.68Å; D919-H925 IonicContact OD2-ND1 3.76Å
926H55.2Low63.2Low155 Ų15592.7 Ų92.772%0.71847%0.472SS*.Hα-helixtrans-68.3-29.3176.7-102.1-68.4000113.9D924 H928D924-H926 PolarHBondContact O-N 3.36Å; H926-H928 VanDerWaalsContact C-N 3.31Å; H926-H928 PolarHBondContact O-N 3.25Å
927H59.7Low63.7Low99 Ų9991.2 Ų91.246%0.45847%0.47SS..Hα-helixtrans-72.9-23.1-177.4-89.59.4000113.8D924 E930 Q931D924-H927 PolarHBondContact O-N 2.89Å; D924-H927 VanDerWaalsContact O-N 3.08Å; H927-E930 IonicContact ND1-OE2 3.31Å; H927-Q931 WeakPolarHBondContact O-CG 3.32Å; H927-Q931 PolarHBondContact O-N 3.14Å
928H56.4Low64.3Low27 Ų2791 Ų9113%0.12546%0.464CS..Hα-helixtrans-69.7-50.6-176.1-130.3-98.7000112.6A915 K916 D919 H926 E930 Q931 E932A915-H928 PolarHBondContact O-CE1 3.48Å; A915-H928 PolarHBondContact O-NE2 2.96Å; K916-H928 VanDerWaalsContact C-CE1 3.5Å; K916-H928 WeakPolarHBondContact CA-CE1 3.35Å; K916-H928 PolarHBondContact O-CE1 3.11Å; K916-H928 PolarHBondContact O-NE2 3.36Å; D919-H928 VanDerWaalsContact CG-CD2 3.49Å; D919-H928 PolarHBondContact N-NE2 2.66Å; D919-H928 IonicContact OD1-CD2 3.58Å; D919-H928 PolarHBondContact OD1-CD2 3.25Å; D919-H928 IonicContact OD1-NE2 3.73Å; D919-H928 IonicContact OD2-CD2 3.63Å; D919-H928 IonicContact OD2-CE1 3.52Å; D919-H928 IonicContact OD2-NE2 3.46Å; H926-H928 VanDerWaalsContact C-N 3.31Å; H926-H928 PolarHBondContact O-N 3.25Å; H928-E930 VanDerWaalsContact C-N 3.29Å; H928-E930 PolarHBondContact O-N 2.98Å; H928-Q931 PolarHBondContact O-N 3.22Å; H928-E932 PolarHBondContact O-N 3.35Å
929Q61.9Low65.1Low128 Ų12889.2 Ų89.260%0.59846%0.455SS*.Hα-helixtrans-68.5-29.6177.9-75.1-174-0.500112.4K933Q929-K933 VanDerWaalsContact O-CB 3.23Å; Q929-K933 WeakPolarHBondContact O-CB 3.37Å; Q929-K933 WeakPolarHBondContact O-CG 3.32Å; Q929-K933 PolarHBondContact O-N 3.23Å
930E70.4Confident66.6Low120 Ų12091.2 Ų91.256%0.56146%0.46SS*.Hα-helixtrans-69-43.3174.2-82-173.2146.400112H927 H928 K933 R934H927-E930 IonicContact ND1-OE2 3.31Å; H928-E930 VanDerWaalsContact C-N 3.29Å; H928-E930 PolarHBondContact O-N 2.98Å; E930-K933 PolarHBondContact O-N 2.8Å; E930-R934 WeakPolarHBondContact O-CB 3.42Å; E930-R934 PolarHBondContact O-N 2.87Å
931Q69.3Low68.1Low28 Ų2892.1 Ų92.113%0.13145%0.452CS..Hα-helixtrans-64.2-46.8175.5-78.2-84.20.400111.5A915 H927 H928 K933 R934 I935A915-Q931 HydrophobicContact CB-CB 4.38Å; H927-Q931 WeakPolarHBondContact O-CG 3.32Å; H927-Q931 PolarHBondContact O-N 3.14Å; H928-Q931 PolarHBondContact O-N 3.22Å; Q931-K933 PolarHBondContact O-N 3.28Å; Q931-R934 WeakPolarHBondContact O-CB 3.34Å; Q931-R934 PolarHBondContact O-N 2.95Å; Q931-I935 VanDerWaalsContact O-CG1 3.29Å; Q931-I935 WeakPolarHBondContact O-CG1 3.33Å; Q931-I935 PolarHBondContact O-N 3.49Å
932E71.9Confident69.4Low53 Ų5385.7 Ų85.725%0.24843%0.426CS..Hα-helixtrans-62-43176.6-76.7-169.3150.900112.1Y912 K916 H928 R934 I935 D936Y912-E932 HydrophobicContact CD1-CG 4.21Å; Y912-E932 HydrophobicContact CE1-CB 4.22Å; Y912-E932 HydrophobicContact CE1-CG 4Å; K916-E932 WeakPolarHBondContact CE-OE1 3.32Å; H928-E932 PolarHBondContact O-N 3.35Å; E932-R934 VanDerWaalsContact C-N 3.33Å; E932-R934 PolarHBondContact O-N 2.9Å; E932-I935 PolarHBondContact O-N 2.88Å; E932-D936 PolarHBondContact O-N 3.1Å
933K77.7Confident71Confident129 Ų12980 Ų8056%0.56140%0.395SS*.Hα-helixtrans-64.7-35.9174.2-77.7175.3-178.7171.90112.4Q929 E930 Q931 N937Q929-K933 VanDerWaalsContact O-CB 3.23Å; Q929-K933 WeakPolarHBondContact O-CB 3.37Å; Q929-K933 WeakPolarHBondContact O-CG 3.32Å; Q929-K933 PolarHBondContact O-N 3.23Å; E930-K933 PolarHBondContact O-N 2.8Å; Q931-K933 PolarHBondContact O-N 3.28Å; K933-N937 VanDerWaalsContact O-CB 3.28Å; K933-N937 WeakPolarHBondContact O-CB 3.34Å; K933-N937 VanDerWaalsContact O-CG 3.31Å; K933-N937 PolarHBondContact O-N 3.33Å; K933-N937 PolarHBondContact O-ND2 2.84Å
934R81.9Confident72.7Confident112 Ų11278.3 Ų78.342%0.42337%0.374SS..Hα-helixtrans-62.4-46.8174.6178.9-178.9171.3-151.2-7.7110D900 E930 Q931 E932 N937 L938D900-R934 IonicContact OD1-NH2 3.14Å; D900-R934 PolarHBondContact OD1-NH2 3.02Å; E930-R934 WeakPolarHBondContact O-CB 3.42Å; E930-R934 PolarHBondContact O-N 2.87Å; Q931-R934 WeakPolarHBondContact O-CB 3.34Å; Q931-R934 PolarHBondContact O-N 2.95Å; E932-R934 VanDerWaalsContact C-N 3.33Å; E932-R934 PolarHBondContact O-N 2.9Å; R934-N937 PolarHBondContact O-N 2.8Å; R934-L938 HydrophobicContact CG-CD1 3.97Å; R934-L938 WeakPolarHBondContact O-CB 3.44Å; R934-L938 WeakPolarHBondContact O-CG 3.41Å; R934-L938 PolarHBondContact O-N 2.85Å
935I79.5Confident74.1Confident0 Ų075.8 Ų75.80%036%0.364CS..Hα-helixtrans-63.8-45.8177.7-61.6168.3000110.7L903 W908 A911 Y912 A915 Q931 E932 N937 L938 L939L903-I935 HydrophobicContact CD2-CG1 4.38Å; L903-I935 HydrophobicContact CD2-CG2 4.35Å; W908-I935 HydrophobicContact CE3-CG2 3.69Å; W908-I935 HydrophobicContact CZ3-CG2 3.99Å; A911-I935 HydrophobicContact CB-CD1 4.43Å; Y912-I935 HydrophobicContact CD2-CG2 3.79Å; Y912-I935 HydrophobicContact CE2-CB 4.21Å; Y912-I935 HydrophobicContact CE2-CG2 3.35Å; A915-I935 HydrophobicContact CB-CD1 3.79Å; Q931-I935 VanDerWaalsContact O-CG1 3.29Å; Q931-I935 WeakPolarHBondContact O-CG1 3.33Å; Q931-I935 PolarHBondContact O-N 3.49Å; E932-I935 PolarHBondContact O-N 2.88Å; I935-N937 PolarHBondContact O-N 2.99Å; I935-L938 PolarHBondContact O-N 3.11Å; I935-L939 WeakPolarHBondContact O-CB 3.48Å; I935-L939 PolarHBondContact O-N 3.18Å
936D79.6Confident75.5Confident45 Ų4570.9 Ų70.924%0.24134%0.341CS..Hα-helixtrans-62.7-40.6178.5-106.7-31.8000112.9Y912 E932 K940 R964Y912-D936 PolarHBondContact OH-OD1 3.44Å; Y912-D936 VanDerWaalsContact OH-OD1 3.05Å; Y912-D936 PolarHBondContact OH-OD2 3.39Å; E932-D936 PolarHBondContact O-N 3.1Å; D936-K940 PolarHBondContact O-N 2.78Å; D936-R964 IonicContact OD1-CZ 3.68Å; D936-R964 IonicContact OD1-NH1 3.76Å; D936-R964 IonicContact OD1-NH2 3.87Å; D936-R964 PolarHBondContact OD1-NH2 3.05Å
937N83.6Confident76.9Confident94 Ų9466.7 Ų66.750%0.50332%0.323SS..Hα-helixtrans-68.5-42176.6-79.2-19.6000111.5K933 R934 I935 L939 K940 Q941K933-N937 VanDerWaalsContact O-CB 3.28Å; K933-N937 WeakPolarHBondContact O-CB 3.34Å; K933-N937 VanDerWaalsContact O-CG 3.31Å; K933-N937 PolarHBondContact O-N 3.33Å; K933-N937 PolarHBondContact O-ND2 2.84Å; R934-N937 PolarHBondContact O-N 2.8Å; I935-N937 PolarHBondContact O-N 2.99Å; N937-L939 VanDerWaalsContact C-N 3.33Å; N937-L939 PolarHBondContact O-N 3.03Å; N937-K940 PolarHBondContact O-N 3.25Å; N937-Q941 WeakPolarHBondContact O-CB 3.45Å; N937-Q941 VanDerWaalsContact O-CG 3.26Å; N937-Q941 WeakPolarHBondContact O-CG 3.47Å; N937-Q941 PolarHBondContact O-N 3.04Å
938L82.4Confident77.9Confident60 Ų6069.4 Ų69.431%0.31434%0.336SS..Hα-helixtrans-62.7-40.3175.6-73.9170.9000111.3L903 W908 R934 I935 Q941 S942L903-L938 HydrophobicContact CD1-CD1 4.45Å; W908-L938 HydrophobicContact CH2-CB 3.93Å; W908-L938 HydrophobicContact CZ3-CB 4Å; R934-L938 HydrophobicContact CG-CD1 3.97Å; R934-L938 WeakPolarHBondContact O-CB 3.44Å; R934-L938 WeakPolarHBondContact O-CG 3.41Å; R934-L938 PolarHBondContact O-N 2.85Å; I935-L938 PolarHBondContact O-N 3.11Å; L938-Q941 PolarHBondContact O-N 2.81Å; L938-S942 WeakPolarHBondContact O-CB 3.49Å; L938-S942 PolarHBondContact O-N 2.78Å; L938-S942 PolarHBondContact O-OG 3.46Å
939L82.7Confident79Confident2 Ų273.6 Ų73.61%0.0136%0.355CS..Hα-helixtrans-63.2-46175.4-176.674.2000111.7W908 I935 N937 Q941 S942 V943 L958 A962W908-L939 HydrophobicContact CD2-CD1 4.04Å; W908-L939 HydrophobicContact CE3-CB 4.25Å; W908-L939 HydrophobicContact CE3-CD1 4.21Å; W908-L939 HydrophobicContact CG-CD1 4.44Å; W908-L939 HydrophobicContact CH2-CB 4.47Å; W908-L939 HydrophobicContact CZ3-CB 4.02Å; I935-L939 WeakPolarHBondContact O-CB 3.48Å; I935-L939 PolarHBondContact O-N 3.18Å; N937-L939 VanDerWaalsContact C-N 3.33Å; N937-L939 PolarHBondContact O-N 3.03Å; L939-Q941 VanDerWaalsContact C-N 3.35Å; L939-Q941 PolarHBondContact O-N 3.37Å; L939-S942 WeakPolarHBondContact CA-OG 3.3Å; L939-S942 PolarHBondContact O-N 3.09Å; L939-S942 PolarHBondContact O-OG 3Å; L939-V943 VanDerWaalsContact O-CG2 3.29Å; L939-V943 WeakPolarHBondContact O-CG2 3.34Å; L939-V943 PolarHBondContact O-N 2.79Å; L939-L958 HydrophobicContact CD1-CD2 3.95Å; L939-L958 HydrophobicContact CD1-CG 3.88Å; L939-A962 HydrophobicContact CD1-CB 3.75Å; L939-A962 HydrophobicContact CD2-CB 3.44Å; L939-A962 VanDerWaalsContact CD2-CB 3.44Å; L939-A962 HydrophobicContact CG-CB 4.26Å
940K82.5Confident79.7Confident113 Ų11370.1 Ų70.149%0.49135%0.354SS..Hα-helixtrans-64.2-40.9177.3-76177.7-179.2173.10111.8D936 N937 V944D936-K940 PolarHBondContact O-N 2.78Å; N937-K940 PolarHBondContact O-N 3.25Å; K940-V944 WeakPolarHBondContact O-CB 3.28Å; K940-V944 VanDerWaalsContact O-CG2 3.24Å; K940-V944 WeakPolarHBondContact O-CG2 3.42Å; K940-V944 PolarHBondContact O-N 2.94Å
941Q82.8Confident80.3Confident128 Ų12869.6 Ų69.660%0.59835%0.347SS*.Hα-helixtrans-64.5-43177.3-75.7174.5-9.100111.9N937 L938 L939 V944 C945N937-Q941 WeakPolarHBondContact O-CB 3.45Å; N937-Q941 VanDerWaalsContact O-CG 3.26Å; N937-Q941 WeakPolarHBondContact O-CG 3.47Å; N937-Q941 PolarHBondContact O-N 3.04Å; L938-Q941 PolarHBondContact O-N 2.81Å; L939-Q941 VanDerWaalsContact C-N 3.35Å; L939-Q941 PolarHBondContact O-N 3.37Å; Q941-V944 PolarHBondContact O-N 2.68Å; Q941-C945 VanDerWaalsContact O-CB 3.26Å; Q941-C945 WeakPolarHBondContact O-CB 3.33Å; Q941-C945 PolarHBondContact O-N 2.97Å
942S79.9Confident81.1Confident29 Ų2969.5 Ų69.520%0.20335%0.347CS..Hα-helixtrans-67.6-41.3178.655.70000111.9L938 L939 C945 F946 L958L938-S942 WeakPolarHBondContact O-CB 3.49Å; L938-S942 PolarHBondContact O-N 2.78Å; L938-S942 PolarHBondContact O-OG 3.46Å; L939-S942 WeakPolarHBondContact CA-OG 3.3Å; L939-S942 PolarHBondContact O-N 3.09Å; L939-S942 PolarHBondContact O-OG 3Å; S942-C945 WeakPolarHBondContact O-CB 3.35Å; S942-C945 PolarHBondContact O-N 3.08Å; S942-F946 WeakPolarHBondContact O-CD2 3.3Å; S942-F946 PolarHBondContact O-N 2.81Å; S942-L958 WeakPolarHBondContact OG-CD2 3.08Å
943V83Confident81.7Confident0 Ų069.5 Ų69.50%035%0.348CS..Hα-helixtrans-63.6-46.7174.1175.60000111.3L939 C945 F946 I947 A955 L958 Y959L939-V943 VanDerWaalsContact O-CG2 3.29Å; L939-V943 WeakPolarHBondContact O-CG2 3.34Å; L939-V943 PolarHBondContact O-N 2.79Å; V943-C945 VanDerWaalsContact C-N 3.29Å; V943-C945 PolarHBondContact O-N 3.14Å; V943-F946 PolarHBondContact O-N 2.97Å; V943-I947 HydrophobicContact CG1-CD1 3.62Å; V943-I947 HydrophobicContact CG1-CG1 4.28Å; V943-I947 VanDerWaalsContact O-CG1 3.3Å; V943-I947 WeakPolarHBondContact O-CG1 3.48Å; V943-I947 PolarHBondContact O-N 3.14Å; V943-A955 HydrophobicContact CG1-CB 3.84Å; V943-L958 HydrophobicContact CB-CD2 4.48Å; V943-L958 HydrophobicContact CG2-CB 4.31Å; V943-L958 HydrophobicContact CG2-CD2 3.44Å; V943-L958 VanDerWaalsContact CG2-CD2 3.44Å; V943-L958 HydrophobicContact CG2-CG 4.3Å; V943-Y959 HydrophobicContact CB-CE1 4.27Å; V943-Y959 HydrophobicContact CB-CE2 4.11Å; V943-Y959 HydrophobicContact CG1-CD2 3.88Å; V943-Y959 HydrophobicContact CG1-CE1 4.23Å; V943-Y959 HydrophobicContact CG1-CE2 3.19Å; V943-Y959 WeakPolarHBondContact CG1-OH 2.95Å; V943-Y959 HydrophobicContact CG2-CD1 3.92Å; V943-Y959 HydrophobicContact CG2-CD2 4.19Å; V943-Y959 HydrophobicContact CG2-CE1 3.68Å; V943-Y959 HydrophobicContact CG2-CE2 4Å; V943-Y959 HydrophobicContact CG2-CG 4.15Å
944V84.8Confident81.9Confident68 Ų6866.2 Ų66.241%0.41234%0.335SS..Hα-helixtrans-59.7-42.8177.7170.10000110.9K940 Q941 F946 I947 E948K940-V944 WeakPolarHBondContact O-CB 3.28Å; K940-V944 VanDerWaalsContact O-CG2 3.24Å; K940-V944 WeakPolarHBondContact O-CG2 3.42Å; K940-V944 PolarHBondContact O-N 2.94Å; Q941-V944 PolarHBondContact O-N 2.68Å; V944-F946 PolarHBondContact O-N 3Å; V944-I947 PolarHBondContact O-N 3.08Å; V944-E948 HydrophobicContact CG1-CG 4.23Å; V944-E948 WeakPolarHBondContact O-CB 3.4Å; V944-E948 WeakPolarHBondContact O-CG 3.23Å; V944-E948 PolarHBondContact O-N 3.14Å
945C79.5Confident82Confident54 Ų5460.9 Ų60.937%0.36532%0.315SS..Hα-helixtrans-59.1-44.7175.6-173.70000111.9Q941 S942 V943 I947 E948 Q949Q941-C945 VanDerWaalsContact O-CB 3.26Å; Q941-C945 WeakPolarHBondContact O-CB 3.33Å; Q941-C945 PolarHBondContact O-N 2.97Å; S942-C945 WeakPolarHBondContact O-CB 3.35Å; S942-C945 PolarHBondContact O-N 3.08Å; V943-C945 VanDerWaalsContact C-N 3.29Å; V943-C945 PolarHBondContact O-N 3.14Å; C945-I947 PolarHBondContact O-N 2.93Å; C945-E948 PolarHBondContact O-N 2.94Å; C945-Q949 WeakPolarHBondContact O-CB 3.27Å; C945-Q949 VanDerWaalsContact O-CG 3.26Å; C945-Q949 WeakPolarHBondContact O-CG 3.26Å; C945-Q949 PolarHBondContact O-N 2.77Å; C945-Q949 PolarHBondContact SG-NE2 3.44Å; C945-Q949 VanDerWaalsContact SG-NE2 3.35Å
946F81.9Confident82.4Confident44 Ų4461.1 Ų61.119%0.19332%0.316CS..Hα-helixtrans-63.1-41.3175-78-54.4000112.4S942 V943 V944 Q949 G950 R951 E954 A955 L958S942-F946 WeakPolarHBondContact O-CD2 3.3Å; S942-F946 PolarHBondContact O-N 2.81Å; V943-F946 PolarHBondContact O-N 2.97Å; V944-F946 PolarHBondContact O-N 3Å; F946-Q949 PolarHBondContact O-N 3.49Å; F946-G950 PolarHBondContact O-N 2.73Å; F946-R951 HydrophobicContact CB-CB 4.23Å; F946-R951 HydrophobicContact CD1-CB 3.88Å; F946-R951 CarbonylContact O-C 3.53Å; F946-R951 WeakPolarHBondContact O-CA 3.08Å; F946-R951 WeakPolarHBondContact O-CB 3.17Å; F946-R951 PolarHBondContact O-N 3.3Å; F946-E954 HydrophobicContact CD1-CB 4Å; F946-E954 HydrophobicContact CE1-CB 4.1Å; F946-E954 HydrophobicContact CG-CB 4.24Å; F946-E954 HydrophobicContact CZ-CB 4.42Å; F946-A955 HydrophobicContact CB-CB 3.85Å; F946-L958 HydrophobicContact CD2-CD2 4.18Å; F946-L958 HydrophobicContact CE2-CD2 4.15Å
947I82.6Confident82.6Confident67 Ų6761.8 Ų61.834%0.34432%0.318SS..Hα-helixtrans-64.3-43.6176.8-65.1162.1000111.1V943 V944 C945 Q949 G950 A955 L971V943-I947 HydrophobicContact CG1-CD1 3.62Å; V943-I947 HydrophobicContact CG1-CG1 4.28Å; V943-I947 VanDerWaalsContact O-CG1 3.3Å; V943-I947 WeakPolarHBondContact O-CG1 3.48Å; V943-I947 PolarHBondContact O-N 3.14Å; V944-I947 PolarHBondContact O-N 3.08Å; C945-I947 PolarHBondContact O-N 2.93Å; I947-Q949 VanDerWaalsContact C-N 3.28Å; I947-Q949 PolarHBondContact O-N 2.75Å; I947-G950 PolarHBondContact O-N 2.91Å; I947-A955 HydrophobicContact CG1-CB 3.95Å; I947-L971 HydrophobicContact CD1-CD1 3.45Å; I947-L971 VanDerWaalsContact CD1-CD1 3.45Å; I947-L971 HydrophobicContact CD1-CD2 4.35Å; I947-L971 HydrophobicContact CG1-CD1 4Å; I947-L971 HydrophobicContact CG1-CD2 4.22Å
948E82.3Confident82.6Confident156 Ų15657.9 Ų57.973%0.72930%0.297SS*.Hα-helixtrans-64.2-32.5177.6-74.5177.5173.700112.3V944 C945 G950V944-E948 HydrophobicContact CG1-CG 4.23Å; V944-E948 WeakPolarHBondContact O-CB 3.4Å; V944-E948 WeakPolarHBondContact O-CG 3.23Å; V944-E948 PolarHBondContact O-N 3.14Å; C945-E948 PolarHBondContact O-N 2.94Å; E948-G950 VanDerWaalsContact C-N 3.25Å; E948-G950 PolarHBondContact O-N 2.91Å
949Q79.2Confident82.8Confident115 Ų11556.6 Ų56.654%0.53729%0.288SS..THydrogen-bonded Turntrans-78.5-1.2173.7-69.9175.5800113.9C945 F946 I947 R951C945-Q949 WeakPolarHBondContact O-CB 3.27Å; C945-Q949 VanDerWaalsContact O-CG 3.26Å; C945-Q949 WeakPolarHBondContact O-CG 3.26Å; C945-Q949 PolarHBondContact O-N 2.77Å; C945-Q949 PolarHBondContact SG-NE2 3.44Å; C945-Q949 VanDerWaalsContact SG-NE2 3.35Å; F946-Q949 PolarHBondContact O-N 3.49Å; I947-Q949 VanDerWaalsContact C-N 3.28Å; I947-Q949 PolarHBondContact O-N 2.75Å; Q949-R951 HydrophobicContact CB-CB 4.44Å; Q949-R951 HydrophobicContact CB-CG 4.19Å; Q949-R951 PolarHBondContact O-N 2.94Å
950G77.3Confident82.9Confident56 Ų5657.9 Ų57.958%0.57729%0.294SS*.THydrogen-bonded Turntrans75.18.8-174.300000114.5F946 I947 E948 I952F946-G950 PolarHBondContact O-N 2.73Å; I947-G950 PolarHBondContact O-N 2.91Å; E948-G950 VanDerWaalsContact C-N 3.25Å; E948-G950 PolarHBondContact O-N 2.91Å; G950-I952 VanDerWaalsContact C-N 3.31Å; G950-I952 PolarHBondContact O-N 3.1Å; G950-I952 VanDerWaalsContact O-N 3.17Å
951R82.6Confident82.7Confident109 Ų10956.7 Ų56.741%0.41129%0.29SS..  trans-89.258.7-178-72.8-171.677-176.14.2111.6F946 Q949 I953 E954 A955F946-R951 HydrophobicContact CB-CB 4.23Å; F946-R951 HydrophobicContact CD1-CB 3.88Å; F946-R951 CarbonylContact O-C 3.53Å; F946-R951 WeakPolarHBondContact O-CA 3.08Å; F946-R951 WeakPolarHBondContact O-CB 3.17Å; F946-R951 PolarHBondContact O-N 3.3Å; Q949-R951 HydrophobicContact CB-CB 4.44Å; Q949-R951 HydrophobicContact CB-CG 4.19Å; Q949-R951 PolarHBondContact O-N 2.94Å; R951-I953 PolarHBondContact O-N 2.94Å; R951-E954 VanDerWaalsContact C-OE2 3.3Å; R951-E954 VanDerWaalsContact CA-OE2 3.26Å; R951-E954 WeakPolarHBondContact CA-OE2 3.26Å; R951-E954 WeakPolarHBondContact CB-OE2 3.49Å; R951-E954 IonicContact CZ-OE1 3.66Å; R951-E954 IonicContact NE-OE1 3.93Å; R951-E954 PolarHBondContact NE-OE1 3.04Å; R951-E954 IonicContact NE-OE2 3.87Å; R951-E954 IonicContact NH2-OE1 2.8Å; R951-E954 PolarHBondContact NH2-OE1 2.99Å; R951-E954 PolarHBondContact O-N 3.04Å; R951-A955 PolarHBondContact O-N 3.04Å
952I85.2Confident82.5Confident25 Ų2551.9 Ų51.913%0.12827%0.271CS..Hα-helixtrans-68.6-34.6-170.5-66.5173.6000111.8G950 A955 V956 L971 E975G950-I952 VanDerWaalsContact C-N 3.31Å; G950-I952 PolarHBondContact O-N 3.1Å; G950-I952 VanDerWaalsContact O-N 3.17Å; I952-A955 WeakPolarHBondContact O-CB 3.25Å; I952-A955 PolarHBondContact O-N 2.85Å; I952-V956 WeakPolarHBondContact O-CG2 3.42Å; I952-V956 PolarHBondContact O-N 2.79Å; I952-L971 HydrophobicContact CG2-CD2 3.64Å; I952-L971 HydrophobicContact CG2-CG 4.12Å; I952-E975 HydrophobicContact CD1-CB 4.27Å; I952-E975 HydrophobicContact CD1-CG 3.75Å; I952-E975 WeakPolarHBondContact CD1-OE2 3.09Å; I952-E975 HydrophobicContact CG2-CB 4.2Å; I952-E975 HydrophobicContact CG2-CG 4.27Å
953I84.3Confident82.5Confident53 Ų5351.6 Ų51.627%0.27227%0.273SS..Hα-helixtrans-67.5-42.7179.2-65.9167.3000110.3R951 A955 V956 E957 M993 L1036R951-I953 PolarHBondContact O-N 2.94Å; I953-A955 VanDerWaalsContact C-N 3.29Å; I953-A955 PolarHBondContact O-N 3.48Å; I953-V956 WeakPolarHBondContact O-CB 3.45Å; I953-V956 PolarHBondContact O-N 2.82Å; I953-E957 PolarHBondContact O-N 3.06Å; I953-M993 HydrophobicContact CD1-CE 4.39Å; I953-M993 HydrophobicContact CG1-CE 4.49Å; I953-L1036 HydrophobicContact CD1-CD1 3.97Å; I953-L1036 HydrophobicContact CD1-CD2 3.84Å; I953-L1036 HydrophobicContact CD1-CG 4.49Å; I953-L1036 HydrophobicContact CG1-CD1 4.4Å; I953-L1036 HydrophobicContact CG2-CD1 3.65Å
954E82.4Confident82.6Confident61 Ų6155.5 Ų55.529%0.28529%0.288SS..Hα-helixtrans-64.8-35.2175.6-63.898.2150.200111.9F946 R951 E957 L958F946-E954 HydrophobicContact CD1-CB 4Å; F946-E954 HydrophobicContact CE1-CB 4.1Å; F946-E954 HydrophobicContact CG-CB 4.24Å; F946-E954 HydrophobicContact CZ-CB 4.42Å; R951-E954 VanDerWaalsContact C-OE2 3.3Å; R951-E954 VanDerWaalsContact CA-OE2 3.26Å; R951-E954 WeakPolarHBondContact CA-OE2 3.26Å; R951-E954 WeakPolarHBondContact CB-OE2 3.49Å; R951-E954 IonicContact CZ-OE1 3.66Å; R951-E954 IonicContact NE-OE1 3.93Å; R951-E954 PolarHBondContact NE-OE1 3.04Å; R951-E954 IonicContact NE-OE2 3.87Å; R951-E954 IonicContact NH2-OE1 2.8Å; R951-E954 PolarHBondContact NH2-OE1 2.99Å; R951-E954 PolarHBondContact O-N 3.04Å; E954-E957 PolarHBondContact O-N 3.06Å; E954-L958 VanDerWaalsContact O-CB 3.3Å; E954-L958 WeakPolarHBondContact O-CB 3.31Å; E954-L958 PolarHBondContact O-N 3.03Å
955A84.9Confident82.7Confident0 Ų053.9 Ų53.90%028%0.275CS..Hα-helixtrans-62.1-42172.600000112.4V943 F946 I947 R951 I952 I953 L958 Y959 L971V943-A955 HydrophobicContact CG1-CB 3.84Å; F946-A955 HydrophobicContact CB-CB 3.85Å; I947-A955 HydrophobicContact CG1-CB 3.95Å; R951-A955 PolarHBondContact O-N 3.04Å; I952-A955 WeakPolarHBondContact O-CB 3.25Å; I952-A955 PolarHBondContact O-N 2.85Å; I953-A955 VanDerWaalsContact C-N 3.29Å; I953-A955 PolarHBondContact O-N 3.48Å; A955-L958 PolarHBondContact O-N 3.21Å; A955-Y959 PolarHBondContact O-N 3.06Å; A955-L971 HydrophobicContact CB-CD2 3.81Å
956V86.4Confident83.1Confident4 Ų453.3 Ų53.32%0.02427%0.268CS..Hα-helixtrans-63-44.4175.7171.20000110.6I952 I953 Y959 K960 A968 L971 L972 L1000I952-V956 WeakPolarHBondContact O-CG2 3.42Å; I952-V956 PolarHBondContact O-N 2.79Å; I953-V956 WeakPolarHBondContact O-CB 3.45Å; I953-V956 PolarHBondContact O-N 2.82Å; V956-Y959 PolarHBondContact O-N 2.84Å; V956-K960 WeakPolarHBondContact O-CB 3.15Å; V956-K960 PolarHBondContact O-N 3.26Å; V956-A968 HydrophobicContact CG1-CB 3.98Å; V956-L971 HydrophobicContact CG2-CB 4.33Å; V956-L971 HydrophobicContact CG2-CD2 3.72Å; V956-L972 HydrophobicContact CB-CD1 4.47Å; V956-L972 HydrophobicContact CG1-CD1 3.59Å; V956-L972 HydrophobicContact CG1-CG 4.24Å; V956-L972 HydrophobicContact CG2-CD1 4.05Å; V956-L972 HydrophobicContact CG2-CG 3.76Å; V956-L1000 HydrophobicContact CG1-CD1 3.93Å
957E83.6Confident83.3Confident60 Ų6054.1 Ų54.128%0.2828%0.275SS..Hα-helixtrans-66.5-41-179.7-168.1161.2-14300111.3I953 E954 Y959 K960 H961 L1032I953-E957 PolarHBondContact O-N 3.06Å; E954-E957 PolarHBondContact O-N 3.06Å; E957-Y959 PolarHBondContact O-N 3.35Å; E957-K960 WeakPolarHBondContact O-CB 3.45Å; E957-K960 PolarHBondContact O-N 3.4Å; E957-H961 PolarHBondContact O-CD2 3.43Å; E957-H961 PolarHBondContact O-N 3.2Å; E957-L1032 HydrophobicContact CG-CD2 4.38Å
958L83.9Confident83.6Confident11 Ų1151 Ų516%0.05826%0.259CS..Hα-helixtrans-60.3-45.4173.5-16279.3000111.8L939 S942 V943 F946 E954 A955 K960 H961 A962L939-L958 HydrophobicContact CD1-CD2 3.95Å; L939-L958 HydrophobicContact CD1-CG 3.88Å; S942-L958 WeakPolarHBondContact OG-CD2 3.08Å; V943-L958 HydrophobicContact CB-CD2 4.48Å; V943-L958 HydrophobicContact CG2-CB 4.31Å; V943-L958 HydrophobicContact CG2-CD2 3.44Å; V943-L958 VanDerWaalsContact CG2-CD2 3.44Å; V943-L958 HydrophobicContact CG2-CG 4.3Å; F946-L958 HydrophobicContact CD2-CD2 4.18Å; F946-L958 HydrophobicContact CE2-CD2 4.15Å; E954-L958 VanDerWaalsContact O-CB 3.3Å; E954-L958 WeakPolarHBondContact O-CB 3.31Å; E954-L958 PolarHBondContact O-N 3.03Å; A955-L958 PolarHBondContact O-N 3.21Å; L958-K960 VanDerWaalsContact C-N 3.34Å; L958-K960 PolarHBondContact O-N 3.24Å; L958-H961 PolarHBondContact O-N 2.87Å; L958-A962 WeakPolarHBondContact O-CB 3.15Å; L958-A962 PolarHBondContact O-N 3.33Å
959Y86.6Confident83.9Confident33 Ų3343.5 Ų43.513%0.12922%0.224CC..Hα-helixtrans-63.3-39.6173.9-85-40.9000112.4V943 A955 V956 E957 A962 G963 R964 D967V943-Y959 HydrophobicContact CB-CE1 4.27Å; V943-Y959 HydrophobicContact CB-CE2 4.11Å; V943-Y959 HydrophobicContact CG1-CD2 3.88Å; V943-Y959 HydrophobicContact CG1-CE1 4.23Å; V943-Y959 HydrophobicContact CG1-CE2 3.19Å; V943-Y959 WeakPolarHBondContact CG1-OH 2.95Å; V943-Y959 HydrophobicContact CG2-CD1 3.92Å; V943-Y959 HydrophobicContact CG2-CD2 4.19Å; V943-Y959 HydrophobicContact CG2-CE1 3.68Å; V943-Y959 HydrophobicContact CG2-CE2 4Å; V943-Y959 HydrophobicContact CG2-CG 4.15Å; A955-Y959 PolarHBondContact O-N 3.06Å; V956-Y959 PolarHBondContact O-N 2.84Å; E957-Y959 PolarHBondContact O-N 3.35Å; Y959-A962 CarbonylContact O-C 3.55Å; Y959-A962 PolarHBondContact O-N 3.13Å; Y959-G963 PolarHBondContact O-N 3.25Å; Y959-G963 VanDerWaalsContact O-N 3.11Å; Y959-R964 HydrophobicContact CD1-CB 3.95Å; Y959-R964 HydrophobicContact CD1-CG 4.35Å; Y959-R964 HydrophobicContact CG-CB 4.39Å; Y959-R964 PolarHBondContact O-N 3.27Å; Y959-D967 HydrophobicContact CD1-CB 4.5Å; Y959-D967 HydrophobicContact CD2-CB 4.14Å; Y959-D967 HydrophobicContact CE2-CB 4.14Å; Y959-D967 HydrophobicContact CG-CB 4.33Å
960K84.4Confident84.3Confident30 Ų3040 Ų4013%0.1321%0.208CC..Hα-helixtrans-61.8-46.4175.3-174.9-171.9174.3-175.50111.2V956 E957 L958 A962 G963 F965 L1000 A1028V956-K960 WeakPolarHBondContact O-CB 3.15Å; V956-K960 PolarHBondContact O-N 3.26Å; E957-K960 WeakPolarHBondContact O-CB 3.45Å; E957-K960 PolarHBondContact O-N 3.4Å; L958-K960 VanDerWaalsContact C-N 3.34Å; L958-K960 PolarHBondContact O-N 3.24Å; K960-A962 VanDerWaalsContact C-N 3.27Å; K960-A962 PolarHBondContact O-N 2.9Å; K960-G963 PolarHBondContact O-N 2.85Å; K960-F965 HydrophobicContact CG-CD1 4.1Å; K960-F965 HydrophobicContact CG-CE1 3.83Å; K960-L1000 HydrophobicContact CD-CD2 4.39Å; K960-L1000 HydrophobicContact CG-CD2 4.3Å; K960-A1028 PolarHBondContact NZ-O 3Å
961H79.2Confident84.9Confident88 Ų8838.8 Ų38.841%0.40719%0.187SC..Hα-helixtrans-64.4-30.4176.4-83.2-76000113E957 L958 G963E957-H961 PolarHBondContact O-CD2 3.43Å; E957-H961 PolarHBondContact O-N 3.2Å; L958-H961 PolarHBondContact O-N 2.87Å; H961-G963 VanDerWaalsContact C-N 3.29Å
962A77.9Confident85.1Confident26 Ų2633.7 Ų33.722%0.21517%0.169CC..THydrogen-bonded Turntrans-80.4-3.217200000114.2L939 L958 Y959 K960L939-A962 HydrophobicContact CD1-CB 3.75Å; L939-A962 HydrophobicContact CD2-CB 3.44Å; L939-A962 VanDerWaalsContact CD2-CB 3.44Å; L939-A962 HydrophobicContact CG-CB 4.26Å; L958-A962 WeakPolarHBondContact O-CB 3.15Å; L958-A962 PolarHBondContact O-N 3.33Å; Y959-A962 CarbonylContact O-C 3.55Å; Y959-A962 PolarHBondContact O-N 3.13Å; K960-A962 VanDerWaalsContact C-N 3.27Å; K960-A962 PolarHBondContact O-N 2.9Å
963G80.9Confident85.3Confident23 Ų2334.6 Ų34.624%0.23717%0.17CC..THydrogen-bonded Turntrans76.323.6179.900000115.3Y959 K960 H961 Q1007Y959-G963 PolarHBondContact O-N 3.25Å; Y959-G963 VanDerWaalsContact O-N 3.11Å; K960-G963 PolarHBondContact O-N 2.85Å; H961-G963 VanDerWaalsContact C-N 3.29Å; G963-Q1007 PolarHBondContact O-NE2 3Å; G963-Q1007 PolarHBondContact O-OE1 2.9Å
964R84.9Confident85.4Confident83 Ų8337.1 Ų37.131%0.31318%0.18SC..  trans-10364179.9-65.6-85.7-130.4-93.4-13.3111.3D936 Y959 L966 D967 A968D936-R964 IonicContact OD1-CZ 3.68Å; D936-R964 IonicContact OD1-NH1 3.76Å; D936-R964 IonicContact OD1-NH2 3.87Å; D936-R964 PolarHBondContact OD1-NH2 3.05Å; Y959-R964 HydrophobicContact CD1-CB 3.95Å; Y959-R964 HydrophobicContact CD1-CG 4.35Å; Y959-R964 HydrophobicContact CG-CB 4.39Å; Y959-R964 PolarHBondContact O-N 3.27Å; R964-L966 PolarHBondContact O-N 2.99Å; R964-D967 HydrophobicContact CB-CB 4.36Å; R964-D967 IonicContact NE-OD2 3.25Å; R964-D967 PolarHBondContact O-N 2.84Å; R964-A968 PolarHBondContact O-N 3.09Å
965F87.3Confident85.6Confident33 Ų3336.2 Ų36.215%0.14518%0.175CC..Hα-helixtrans-66.8-34.5-170.2-52.5-63.9000115K960 A968 A969 L1000 Q1003 Q1007K960-F965 HydrophobicContact CG-CD1 4.1Å; K960-F965 HydrophobicContact CG-CE1 3.83Å; F965-A968 WeakPolarHBondContact O-CB 3.49Å; F965-A968 PolarHBondContact O-N 3.07Å; F965-A969 PolarHBondContact O-N 2.96Å; F965-L1000 HydrophobicContact CD1-CD2 4.2Å; F965-Q1003 HydrophobicContact CD1-CB 4.07Å; F965-Q1003 HydrophobicContact CD2-CB 4.1Å; F965-Q1003 HydrophobicContact CE1-CB 4.3Å; F965-Q1003 VanDerWaalsContact CE1-OE1 3.31Å; F965-Q1003 HydrophobicContact CE2-CB 4.34Å; F965-Q1003 HydrophobicContact CG-CB 3.97Å; F965-Q1003 HydrophobicContact CZ-CB 4.44Å; F965-Q1007 HydrophobicContact CD2-CB 4.4Å; F965-Q1007 HydrophobicContact CE2-CB 4.28Å; F965-Q1007 HydrophobicContact CE2-CG 4.47Å; F965-Q1007 VanDerWaalsContact CE2-OE1 3.24Å
966L87Confident85.7Confident42 Ų4236.2 Ų36.222%0.2218%0.175CC..Hα-helixtrans-65.7-43.4178.4-169.176.9000111.5R964 A968 A969 E970 M1001 Y1004 M1080R964-L966 PolarHBondContact O-N 2.99Å; L966-A968 VanDerWaalsContact C-N 3.31Å; L966-A968 PolarHBondContact O-N 3.38Å; L966-A969 PolarHBondContact O-N 3.41Å; L966-E970 PolarHBondContact O-N 3.23Å; L966-M1001 HydrophobicContact CD1-CE 4.11Å; L966-M1001 HydrophobicContact CD1-SD 3.97Å; L966-Y1004 HydrophobicContact CB-CD2 3.89Å; L966-Y1004 HydrophobicContact CB-CE2 3.92Å; L966-Y1004 HydrophobicContact CB-CG 4.42Å; L966-Y1004 HydrophobicContact CD1-CD1 4.13Å; L966-Y1004 HydrophobicContact CD1-CD2 4.45Å; L966-Y1004 HydrophobicContact CD1-CE1 3.97Å; L966-Y1004 HydrophobicContact CD1-CE2 4.3Å; L966-Y1004 HydrophobicContact CD1-CG 4.36Å; L966-Y1004 HydrophobicContact CD2-CE2 4.33Å; L966-Y1004 HydrophobicContact CG-CE2 4.42Å; L966-M1080 HydrophobicContact CD2-CE 4.27Å; L966-M1080 HydrophobicContact CG-CE 4.37Å
967D86.7Confident85.6Confident62 Ų6239.2 Ų39.233%0.33219%0.189SC..Hα-helixtrans-63-40.2177.5-63.8-28.4000110.7Y959 R964 L971Y959-D967 HydrophobicContact CD1-CB 4.5Å; Y959-D967 HydrophobicContact CD2-CB 4.14Å; Y959-D967 HydrophobicContact CE2-CB 4.14Å; Y959-D967 HydrophobicContact CG-CB 4.33Å; R964-D967 HydrophobicContact CB-CB 4.36Å; R964-D967 IonicContact NE-OD2 3.25Å; R964-D967 PolarHBondContact O-N 2.84Å; D967-L971 WeakPolarHBondContact O-CB 3.37Å; D967-L971 PolarHBondContact O-N 2.91Å
968A88.4Confident85.6Confident0 Ų042.7 Ų42.70%020%0.203CC..Hα-helixtrans-62.6-43.6174.800000112.4V956 R964 F965 L966 L971 L972 L1000V956-A968 HydrophobicContact CG1-CB 3.98Å; R964-A968 PolarHBondContact O-N 3.09Å; F965-A968 WeakPolarHBondContact O-CB 3.49Å; F965-A968 PolarHBondContact O-N 3.07Å; L966-A968 VanDerWaalsContact C-N 3.31Å; L966-A968 PolarHBondContact O-N 3.38Å; A968-L971 PolarHBondContact O-N 2.78Å; A968-L972 PolarHBondContact O-N 3.09Å; A968-L1000 HydrophobicContact CB-CD1 3.91Å; A968-L1000 HydrophobicContact CB-CD2 4.13Å
969A89.2Confident85.5Confident0 Ų042.6 Ų42.60%020%0.203CC..Hα-helixtrans-67.6-40.7178.400000112.4F965 L966 L971 L972 Y973 L1000 M1001F965-A969 PolarHBondContact O-N 2.96Å; L966-A969 PolarHBondContact O-N 3.41Å; A969-L971 VanDerWaalsContact C-N 3.34Å; A969-L971 PolarHBondContact O-N 3.03Å; A969-L972 PolarHBondContact O-N 2.96Å; A969-Y973 PolarHBondContact O-N 2.72Å; A969-L1000 HydrophobicContact CB-CB 3.99Å; A969-L1000 HydrophobicContact CB-CD1 4.42Å; A969-M1001 HydrophobicContact CB-CG 4.2Å; A969-M1001 HydrophobicContact CB-SD 3.86Å
970E87.6Confident85Confident42 Ų4244.1 Ų44.120%0.19621%0.21CC..Hα-helixtrans-64-39.9176.7-166.7-171.1156.900111.4L966 Y973 K974 M1080L966-E970 PolarHBondContact O-N 3.23Å; E970-Y973 PolarHBondContact O-N 2.91Å; E970-K974 WeakPolarHBondContact O-CG 3.35Å; E970-K974 PolarHBondContact O-N 3.37Å; E970-K974 WeakPolarHBondContact OE1-CE 3.48Å; E970-K974 IonicContact OE1-NZ 3.09Å; E970-K974 PolarHBondContact OE1-NZ 2.83Å; E970-M1080 HydrophobicContact CB-CE 4.43Å; E970-M1080 HydrophobicContact CG-CE 4.21Å; E970-M1080 VanDerWaalsContact OE2-CE 3.32Å; E970-M1080 WeakPolarHBondContact OE2-CE 3.36Å
971L88.7Confident84.5Confident29 Ų2950.7 Ų50.715%0.15224%0.241CC..Hα-helixtrans-62.1-48.8177.4-160.988.8000111.5I947 I952 A955 V956 D967 A968 A969 Y973 K974 E975I947-L971 HydrophobicContact CD1-CD1 3.45Å; I947-L971 VanDerWaalsContact CD1-CD1 3.45Å; I947-L971 HydrophobicContact CD1-CD2 4.35Å; I947-L971 HydrophobicContact CG1-CD1 4Å; I947-L971 HydrophobicContact CG1-CD2 4.22Å; I952-L971 HydrophobicContact CG2-CD2 3.64Å; I952-L971 HydrophobicContact CG2-CG 4.12Å; A955-L971 HydrophobicContact CB-CD2 3.81Å; V956-L971 HydrophobicContact CG2-CB 4.33Å; V956-L971 HydrophobicContact CG2-CD2 3.72Å; D967-L971 WeakPolarHBondContact O-CB 3.37Å; D967-L971 PolarHBondContact O-N 2.91Å; A968-L971 PolarHBondContact O-N 2.78Å; A969-L971 VanDerWaalsContact C-N 3.34Å; A969-L971 PolarHBondContact O-N 3.03Å; L971-Y973 VanDerWaalsContact C-N 3.34Å; L971-Y973 PolarHBondContact O-N 3.38Å; L971-K974 PolarHBondContact O-N 2.89Å; L971-E975 PolarHBondContact O-N 3.44Å; L971-E975 VanDerWaalsContact O-N 3.14Å
972L88.4Confident83.8Confident3 Ų349.9 Ų49.92%0.01625%0.245CC..Hα-helixtrans-59.2-43.6176.7-94.5159.2000112V956 A968 A969 E975 V976 M993 L996 I997 L1000V956-L972 HydrophobicContact CB-CD1 4.47Å; V956-L972 HydrophobicContact CG1-CD1 3.59Å; V956-L972 HydrophobicContact CG1-CG 4.24Å; V956-L972 HydrophobicContact CG2-CD1 4.05Å; V956-L972 HydrophobicContact CG2-CG 3.76Å; A968-L972 PolarHBondContact O-N 3.09Å; A969-L972 PolarHBondContact O-N 2.96Å; L972-E975 PolarHBondContact O-N 3.3Å; L972-V976 WeakPolarHBondContact O-CG2 3.49Å; L972-V976 PolarHBondContact O-N 2.97Å; L972-M993 HydrophobicContact CD2-CE 4.15Å; L972-M993 HydrophobicContact CD2-SD 3.23Å; L972-M993 WeakPolarHBondContact CD2-SD 3.44Å; L972-L996 HydrophobicContact CD1-CB 4.06Å; L972-I997 HydrophobicContact CB-CD1 3.97Å; L972-I997 HydrophobicContact CB-CG1 3.55Å; L972-I997 HydrophobicContact CD1-CG1 4.37Å; L972-I997 HydrophobicContact CG-CG1 4.47Å; L972-L1000 HydrophobicContact CD1-CD1 3.49Å; L972-L1000 VanDerWaalsContact CD1-CD1 3.49Å
973Y88.6Confident82.8Confident43 Ų4353.9 Ų53.917%0.16927%0.272CS..Hα-helixtrans-67.1-39.1-178.9-170.3-95.6000112.9A969 E970 L971 E975 V976 Q977 Y994 I997 V1079 L1083A969-Y973 PolarHBondContact O-N 2.72Å; E970-Y973 PolarHBondContact O-N 2.91Å; L971-Y973 VanDerWaalsContact C-N 3.34Å; L971-Y973 PolarHBondContact O-N 3.38Å; Y973-E975 PolarHBondContact O-N 3.18Å; Y973-V976 PolarHBondContact O-N 3.35Å; Y973-Q977 HydrophobicContact CD1-CG 4.08Å; Y973-Q977 HydrophobicContact CE1-CG 3.82Å; Y973-Q977 VanDerWaalsContact CZ-NE2 3.26Å; Y973-Q977 WeakPolarHBondContact O-CG 3.49Å; Y973-Q977 PolarHBondContact O-N 2.94Å; Y973-Q977 PolarHBondContact OH-NE2 2.84Å; Y973-Q977 VanDerWaalsContact OH-NE2 3.13Å; Y973-Y994 HydrophobicContact CD2-CE1 4.15Å; Y973-Y994 AromaticContact CE2-CE1 3.93Å; Y973-Y994 HydrophobicContact CE2-CE1 3.93Å; Y973-I997 HydrophobicContact CD2-CD1 4.04Å; Y973-I997 HydrophobicContact CG-CD1 4.48Å; Y973-V1079 HydrophobicContact CD1-CG1 3.92Å; Y973-V1079 HydrophobicContact CE1-CG1 3.34Å; Y973-L1083 VanDerWaalsContact CB-CD1 3.41Å; Y973-L1083 HydrophobicContact CD1-CD1 3.67Å; Y973-L1083 HydrophobicContact CD2-CD1 3.16Å; Y973-L1083 HydrophobicContact CD2-CG 4.2Å; Y973-L1083 HydrophobicContact CE1-CD1 4.17Å; Y973-L1083 HydrophobicContact CE2-CD1 3.69Å; Y973-L1083 HydrophobicContact CE2-CG 4.49Å; Y973-L1083 HydrophobicContact CG-CD1 3.11Å; Y973-L1083 HydrophobicContact CG-CG 4.49Å
974K86.9Confident82Confident107 Ų10760.6 Ų60.647%0.46530%0.302SS..Hα-helixtrans-58.4-40.5172.1-77.5175.1-174.8156.70111.2E970 L971 Q977 K978E970-K974 WeakPolarHBondContact O-CG 3.35Å; E970-K974 PolarHBondContact O-N 3.37Å; E970-K974 WeakPolarHBondContact OE1-CE 3.48Å; E970-K974 IonicContact OE1-NZ 3.09Å; E970-K974 PolarHBondContact OE1-NZ 2.83Å; L971-K974 PolarHBondContact O-N 2.89Å; K974-Q977 PolarHBondContact O-N 3.47Å; K974-K978 PolarHBondContact O-N 2.74Å
975E86.1Confident81.3Confident41 Ų4163 Ų6319%0.19231%0.311CS..Hα-helixtrans-67.9-39178.3-167.956.5-165.200112.3I952 L971 L972 Y973 Q977 K978 I979I952-E975 HydrophobicContact CD1-CB 4.27Å; I952-E975 HydrophobicContact CD1-CG 3.75Å; I952-E975 WeakPolarHBondContact CD1-OE2 3.09Å; I952-E975 HydrophobicContact CG2-CB 4.2Å; I952-E975 HydrophobicContact CG2-CG 4.27Å; L971-E975 PolarHBondContact O-N 3.44Å; L971-E975 VanDerWaalsContact O-N 3.14Å; L972-E975 PolarHBondContact O-N 3.3Å; Y973-E975 PolarHBondContact O-N 3.18Å; E975-Q977 VanDerWaalsContact C-N 3.31Å; E975-Q977 PolarHBondContact O-N 2.82Å; E975-K978 WeakPolarHBondContact O-CB 3.49Å; E975-K978 PolarHBondContact O-N 3.48Å; E975-K978 VanDerWaalsContact O-N 3.15Å; E975-I979 HydrophobicContact CG-CD1 4.01Å; E975-I979 WeakPolarHBondContact O-CD1 3.45Å; E975-I979 VanDerWaalsContact O-CG1 3.28Å; E975-I979 WeakPolarHBondContact O-CG1 3.17Å; E975-I979 PolarHBondContact O-N 3.44Å
976V86.7Confident81.1Confident0 Ų064 Ų640%032%0.322CS..Hα-helixtrans-61.3-38.7173.4173.90000112.2L972 Y973 I979 K980 M990 M993 Y994 I997L972-V976 WeakPolarHBondContact O-CG2 3.49Å; L972-V976 PolarHBondContact O-N 2.97Å; Y973-V976 PolarHBondContact O-N 3.35Å; V976-I979 PolarHBondContact O-N 2.57Å; V976-K980 PolarHBondContact O-N 2.72Å; V976-M990 HydrophobicContact CG1-CE 3.82Å; V976-M993 HydrophobicContact CG2-CB 3.54Å; V976-M993 HydrophobicContact CG2-CG 4.19Å; V976-Y994 HydrophobicContact CG1-CD2 4.34Å; V976-Y994 HydrophobicContact CG1-CE1 3.99Å; V976-Y994 HydrophobicContact CG1-CE2 3.52Å; V976-Y994 VanDerWaalsContact CG1-OH 3.23Å; V976-Y994 WeakPolarHBondContact CG1-OH 3.28Å; V976-I997 HydrophobicContact CG2-CD1 4.15Å
977Q84.4Confident80.9Confident67 Ų6764.4 Ų64.431%0.31333%0.328SS..Hα-helixtrans-67.1-37.5174.9-65.9-62.8-20.500112.1Y973 K974 E975 K980Y973-Q977 HydrophobicContact CD1-CG 4.08Å; Y973-Q977 HydrophobicContact CE1-CG 3.82Å; Y973-Q977 VanDerWaalsContact CZ-NE2 3.26Å; Y973-Q977 WeakPolarHBondContact O-CG 3.49Å; Y973-Q977 PolarHBondContact O-N 2.94Å; Y973-Q977 PolarHBondContact OH-NE2 2.84Å; Y973-Q977 VanDerWaalsContact OH-NE2 3.13Å; K974-Q977 PolarHBondContact O-N 3.47Å; E975-Q977 VanDerWaalsContact C-N 3.31Å; E975-Q977 PolarHBondContact O-N 2.82Å; Q977-K980 WeakPolarHBondContact O-CB 3.2Å; Q977-K980 PolarHBondContact O-N 3.01Å
978K83.2Confident81Confident133 Ų13364.2 Ų64.258%0.57833%0.326SS*.Hα-helixtrans-62.9-47.8173.8-128.8-178.4-179-174.70111.2K974 E975 K980 Q981 S982K974-K978 PolarHBondContact O-N 2.74Å; E975-K978 WeakPolarHBondContact O-CB 3.49Å; E975-K978 PolarHBondContact O-N 3.48Å; E975-K978 VanDerWaalsContact O-N 3.15Å; K978-K980 VanDerWaalsContact C-N 3.29Å; K978-K980 PolarHBondContact O-N 2.89Å; K978-Q981 PolarHBondContact O-N 2.82Å; K978-Q981 VanDerWaalsContact O-N 3.13Å; K978-S982 PolarHBondContact O-N 2.71Å; K978-S982 PolarHBondContact O-OG 3.46Å
979I82.3Confident81Confident10 Ų1066.2 Ų66.25%0.05133%0.334CS..Hα-helixtrans-62.2-36.4179.6-67.1159.5000111.5E975 V976 Q981 S982 R985 Y989 M990E975-I979 HydrophobicContact CG-CD1 4.01Å; E975-I979 WeakPolarHBondContact O-CD1 3.45Å; E975-I979 VanDerWaalsContact O-CG1 3.28Å; E975-I979 WeakPolarHBondContact O-CG1 3.17Å; E975-I979 PolarHBondContact O-N 3.44Å; V976-I979 PolarHBondContact O-N 2.57Å; I979-Q981 PolarHBondContact O-N 2.83Å; I979-S982 WeakPolarHBondContact CA-OG 3.42Å; I979-S982 CarbonylContact O-C 3.57Å; I979-S982 PolarHBondContact O-N 2.85Å; I979-S982 VanDerWaalsContact O-N 3.16Å; I979-S982 PolarHBondContact O-OG 3.26Å; I979-R985 HydrophobicContact CG2-CB 4Å; I979-R985 HydrophobicContact CG2-CG 3.91Å; I979-Y989 HydrophobicContact CD1-CE1 3.85Å; I979-M990 HydrophobicContact CB-SD 4.33Å; I979-M990 HydrophobicContact CG2-CE 4.38Å; I979-M990 HydrophobicContact CG2-SD 3.65Å
980K76.7Confident81Confident65 Ų6566.5 Ų66.528%0.28334%0.335SS..Hα-helixtrans-58.6-31.7176.5-108.5179.5173.4-175.90113.7V976 Q977 K978 M990 I1125V976-K980 PolarHBondContact O-N 2.72Å; Q977-K980 WeakPolarHBondContact O-CB 3.2Å; Q977-K980 PolarHBondContact O-N 3.01Å; K978-K980 VanDerWaalsContact C-N 3.29Å; K978-K980 PolarHBondContact O-N 2.89Å; K980-M990 HydrophobicContact CG-CE 3.88Å; K980-I1125 WeakPolarHBondContact CE-O 3.4Å; K980-I1125 PolarHBondContact NZ-O 2.69Å
981Q72.5Confident81.1Confident167 Ų16765.1 Ų65.178%0.7833%0.329SS*.Hα-helixtrans-80.6-28.3179.4-64.8176-3.700112K978 I979 S983K978-Q981 PolarHBondContact O-N 2.82Å; K978-Q981 VanDerWaalsContact O-N 3.13Å; I979-Q981 PolarHBondContact O-N 2.83Å; Q981-S983 PolarHBondContact O-N 3.23Å
982S66.5Low81.2Confident71 Ų7165.1 Ų65.150%0.49733%0.328SS..SBendtrans-92.786.1174.954.90000110.4K978 I979 N984K978-S982 PolarHBondContact O-N 2.71Å; K978-S982 PolarHBondContact O-OG 3.46Å; I979-S982 WeakPolarHBondContact CA-OG 3.42Å; I979-S982 CarbonylContact O-C 3.57Å; I979-S982 PolarHBondContact O-N 2.85Å; I979-S982 VanDerWaalsContact O-N 3.16Å; I979-S982 PolarHBondContact O-OG 3.26Å; S982-N984 PolarHBondContact O-N 3.14Å
983S56.4Low81.3Confident111 Ų11165.1 Ų65.178%0.77633%0.328SS*.THydrogen-bonded Turntrans-59.4105.6-176.666.30000112.6Q981Q981-S983 PolarHBondContact O-N 3.23Å
984N62.7Low81.4Confident163 Ų16363.5 Ų63.587%0.87232%0.321SS*.THydrogen-bonded Turntrans176.39.7140.4-123.9-10000116.4S982S982-N984 PolarHBondContact O-N 3.14Å
985R71.4Confident81.7Confident134 Ų13458.6 Ų58.651%0.50630%0.3SS..  trans-75.5147-178.1-69.5-148.1-173.1-161.66.6113.1I979 Y989I979-R985 HydrophobicContact CG2-CB 4Å; I979-R985 HydrophobicContact CG2-CG 3.91Å; R985-Y989 HydrophobicContact CB-CD1 4.48Å; R985-Y989 PolarHBondContact NH1-OH 2.87Å
986S81.9Confident81.9Confident53 Ų5357 Ų5737%0.37129%0.293SS..  trans-60.7144.3-177.871.90000111.9L988 Y989 M990S986-L988 PolarHBondContact O-N 3.44Å; S986-Y989 PolarHBondContact O-N 2.95Å; S986-Y989 VanDerWaalsContact O-N 3.12Å; S986-Y989 PolarHBondContact OG-N 3.3Å; S986-M990 PolarHBondContact O-N 3.24Å
987P84Confident82.1Confident51 Ų5157.1 Ų57.133%0.33129%0.293SS..Hα-helixtrans-54-33.5173.9-28.435.5000113.5M990 K991 Y1094 I1097 M1098P987-M990 PolarHBondContact O-N 2.85Å; P987-K991 PolarHBondContact O-N 3.45Å; P987-Y1094 HydrophobicContact CB-CD1 4Å; P987-I1097 HydrophobicContact CB-CG2 4.49Å; P987-M1098 HydrophobicContact CB-CG 3.96Å; P987-M1098 HydrophobicContact CB-SD 4.42Å
988L89.2Confident82.3Confident58 Ų5853.9 Ų53.930%0.30428%0.279SS..Hα-helixtrans-64.6-43.6177.8175.862.1000111.9S986 M990 K991 K992 E1039 M1098S986-L988 PolarHBondContact O-N 3.44Å; L988-M990 VanDerWaalsContact C-N 3.34Å; L988-M990 PolarHBondContact O-N 2.85Å; L988-K991 PolarHBondContact O-N 2.84Å; L988-K992 HydrophobicContact CD1-CG 4.34Å; L988-K992 HydrophobicContact CG-CD 4.43Å; L988-K992 WeakPolarHBondContact O-CG 3.4Å; L988-K992 PolarHBondContact O-N 3.48Å; L988-E1039 VanDerWaalsContact CD2-OE1 3.24Å; L988-E1039 WeakPolarHBondContact CD2-OE1 3.4Å; L988-M1098 HydrophobicContact CB-CE 3.89Å; L988-M1098 HydrophobicContact CB-SD 4.15Å; L988-M1098 HydrophobicContact CD1-CE 3.81Å; L988-M1098 HydrophobicContact CD1-SD 4.38Å; L988-M1098 HydrophobicContact CG-CE 4.36Å
989Y88.2Confident82.7Confident43 Ų4350 Ų5017%0.16926%0.264CS..Hα-helixtrans-62.7-43.1177.5-174.4-98.6000111.5I979 R985 S986 K991 K992 M993 L1036I979-Y989 HydrophobicContact CD1-CE1 3.85Å; R985-Y989 HydrophobicContact CB-CD1 4.48Å; R985-Y989 PolarHBondContact NH1-OH 2.87Å; S986-Y989 PolarHBondContact O-N 2.95Å; S986-Y989 VanDerWaalsContact O-N 3.12Å; S986-Y989 PolarHBondContact OG-N 3.3Å; Y989-K991 VanDerWaalsContact C-N 3.35Å; Y989-K991 PolarHBondContact O-N 2.98Å; Y989-K992 PolarHBondContact O-N 3.16Å; Y989-M993 HydrophobicContact CD1-CG 4.23Å; Y989-M993 HydrophobicContact CE1-CE 3.72Å; Y989-M993 HydrophobicContact CE1-CG 3.92Å; Y989-M993 HydrophobicContact CE2-CE 4.19Å; Y989-M993 WeakPolarHBondContact O-CG 3.3Å; Y989-M993 PolarHBondContact O-N 3.13Å; Y989-M993 WeakPolarHBondContact OH-CE 3.38Å; Y989-L1036 HydrophobicContact CE2-CD2 4.43Å
990M88.7Confident83.1Confident5 Ų549.7 Ų49.73%0.02526%0.262CS..Hα-helixtrans-62.2-42.9176.1-65.1-62.5-83.600111.4V976 I979 K980 S986 P987 L988 M993 Y994 Y1094V976-M990 HydrophobicContact CG1-CE 3.82Å; I979-M990 HydrophobicContact CB-SD 4.33Å; I979-M990 HydrophobicContact CG2-CE 4.38Å; I979-M990 HydrophobicContact CG2-SD 3.65Å; K980-M990 HydrophobicContact CG-CE 3.88Å; S986-M990 PolarHBondContact O-N 3.24Å; P987-M990 PolarHBondContact O-N 2.85Å; L988-M990 VanDerWaalsContact C-N 3.34Å; L988-M990 PolarHBondContact O-N 2.85Å; M990-M993 PolarHBondContact O-N 3.34Å; M990-Y994 VanDerWaalsContact O-CD2 3.24Å; M990-Y994 WeakPolarHBondContact O-CD2 3.23Å; M990-Y994 PolarHBondContact O-N 3.02Å; M990-Y994 VanDerWaalsContact O-N 3.08Å; M990-Y1094 HydrophobicContact CB-CD1 3.76Å; M990-Y1094 HydrophobicContact CB-CD2 3.92Å; M990-Y1094 HydrophobicContact CB-CE1 3.56Å; M990-Y1094 HydrophobicContact CB-CE2 3.76Å; M990-Y1094 HydrophobicContact CB-CG 3.93Å; M990-Y1094 HydrophobicContact CE-CE2 4.37Å; M990-Y1094 WeakPolarHBondContact CE-OH 3.46Å; M990-Y1094 HydrophobicContact CG-CD1 4.49Å; M990-Y1094 HydrophobicContact CG-CE1 3.86Å; M990-Y1094 HydrophobicContact CG-CE2 4.43Å
991K90.5Very high83.7Confident14 Ų1446.6 Ų46.66%0.06125%0.249CC..Hα-helixtrans-59.4-48.2173.3-175.1-179.7171.8-177.60111.6P987 L988 Y989 M993 Y994 V995 H1095 M1098 P1241P987-K991 PolarHBondContact O-N 3.45Å; L988-K991 PolarHBondContact O-N 2.84Å; Y989-K991 VanDerWaalsContact C-N 3.35Å; Y989-K991 PolarHBondContact O-N 2.98Å; K991-M993 VanDerWaalsContact C-N 3.31Å; K991-M993 PolarHBondContact O-N 3.35Å; K991-Y994 PolarHBondContact O-N 3.1Å; K991-V995 HydrophobicContact CG-CG2 4.29Å; K991-V995 VanDerWaalsContact O-CG2 3.29Å; K991-V995 WeakPolarHBondContact O-CG2 3.41Å; K991-V995 PolarHBondContact O-N 2.81Å; K991-H1095 HydrophobicContact CD-CB 4.03Å; K991-H1095 PolarHBondContact NZ-ND1 3.33Å; K991-M1098 HydrophobicContact CB-SD 4.42Å; K991-M1098 HydrophobicContact CD-SD 4.05Å; K991-P1241 PolarHBondContact NZ-O 3.18Å
992K90.7Very high84.5Confident28 Ų2841 Ų4112%0.12222%0.223CC..Hα-helixtrans-55.8-45177.9-74.5178178179.70111.3L988 Y989 V995 L996 L1035 E1039L988-K992 HydrophobicContact CD1-CG 4.34Å; L988-K992 HydrophobicContact CG-CD 4.43Å; L988-K992 WeakPolarHBondContact O-CG 3.4Å; L988-K992 PolarHBondContact O-N 3.48Å; Y989-K992 PolarHBondContact O-N 3.16Å; K992-V995 PolarHBondContact O-N 2.9Å; K992-L996 WeakPolarHBondContact O-CG 3.46Å; K992-L996 PolarHBondContact O-N 3.13Å; K992-L1035 WeakPolarHBondContact CE-O 3.13Å; K992-L1035 PolarHBondContact NZ-O 3.01Å; K992-E1039 IonicContact NZ-OE1 2.67Å; K992-E1039 PolarHBondContact NZ-OE1 3.31Å
993M89.6Confident85.5Confident4 Ų439.6 Ų39.62%0.0221%0.208CC..Hα-helixtrans-61.9-47.1177.5-73.2-62.8-161.600113.1I953 L972 V976 Y989 M990 K991 V995 L996 I997I953-M993 HydrophobicContact CD1-CE 4.39Å; I953-M993 HydrophobicContact CG1-CE 4.49Å; L972-M993 HydrophobicContact CD2-CE 4.15Å; L972-M993 HydrophobicContact CD2-SD 3.23Å; L972-M993 WeakPolarHBondContact CD2-SD 3.44Å; V976-M993 HydrophobicContact CG2-CB 3.54Å; V976-M993 HydrophobicContact CG2-CG 4.19Å; Y989-M993 HydrophobicContact CD1-CG 4.23Å; Y989-M993 HydrophobicContact CE1-CE 3.72Å; Y989-M993 HydrophobicContact CE1-CG 3.92Å; Y989-M993 HydrophobicContact CE2-CE 4.19Å; Y989-M993 WeakPolarHBondContact O-CG 3.3Å; Y989-M993 PolarHBondContact O-N 3.13Å; Y989-M993 WeakPolarHBondContact OH-CE 3.38Å; M990-M993 PolarHBondContact O-N 3.34Å; K991-M993 VanDerWaalsContact C-N 3.31Å; K991-M993 PolarHBondContact O-N 3.35Å; M993-V995 VanDerWaalsContact C-N 3.33Å; M993-V995 PolarHBondContact O-N 3.27Å; M993-L996 WeakPolarHBondContact O-CB 3.44Å; M993-L996 PolarHBondContact O-N 2.83Å; M993-L996 HydrophobicContact SD-CD1 4.4Å; M993-I997 WeakPolarHBondContact O-CG1 3.3Å; M993-I997 PolarHBondContact O-N 2.9Å
994Y91.1Very high87Confident9 Ų937.2 Ų37.24%0.03518%0.183CC..Hα-helixtrans-67.3-32.4176.8-77.8-69.7000113.1Y973 V976 M990 K991 I997 G998 A1091 Y1094Y973-Y994 HydrophobicContact CD2-CE1 4.15Å; Y973-Y994 AromaticContact CE2-CE1 3.93Å; Y973-Y994 HydrophobicContact CE2-CE1 3.93Å; V976-Y994 HydrophobicContact CG1-CD2 4.34Å; V976-Y994 HydrophobicContact CG1-CE1 3.99Å; V976-Y994 HydrophobicContact CG1-CE2 3.52Å; V976-Y994 VanDerWaalsContact CG1-OH 3.23Å; V976-Y994 WeakPolarHBondContact CG1-OH 3.28Å; M990-Y994 VanDerWaalsContact O-CD2 3.24Å; M990-Y994 WeakPolarHBondContact O-CD2 3.23Å; M990-Y994 PolarHBondContact O-N 3.02Å; M990-Y994 VanDerWaalsContact O-N 3.08Å; K991-Y994 PolarHBondContact O-N 3.1Å; Y994-I997 HydrophobicContact CD1-CD1 4.28Å; Y994-I997 PolarHBondContact O-N 2.8Å; Y994-G998 PolarHBondContact O-N 3.06Å; Y994-A1091 VanDerWaalsContact CB-N 3.32Å; Y994-Y1094 HydrophobicContact CD2-CD2 4.14Å; Y994-Y1094 HydrophobicContact CD2-CE2 4.3Å; Y994-Y1094 HydrophobicContact CE2-CD2 4.1Å; Y994-Y1094 AromaticContact CE2-CE2 3.81Å; Y994-Y1094 HydrophobicContact CE2-CE2 3.81Å
995V92Very high88Confident4 Ų432.6 Ų32.62%0.02415%0.154CC..Hα-helixtrans-64.8-42.6173169.70000110.8K991 K992 M993 I997 G998 L999 W1088 A1091 L1242K991-V995 HydrophobicContact CG-CG2 4.29Å; K991-V995 VanDerWaalsContact O-CG2 3.29Å; K991-V995 WeakPolarHBondContact O-CG2 3.41Å; K991-V995 PolarHBondContact O-N 2.81Å; K992-V995 PolarHBondContact O-N 2.9Å; M993-V995 VanDerWaalsContact C-N 3.33Å; M993-V995 PolarHBondContact O-N 3.27Å; V995-I997 VanDerWaalsContact C-N 3.33Å; V995-I997 PolarHBondContact O-N 2.8Å; V995-G998 PolarHBondContact O-N 3.04Å; V995-L999 HydrophobicContact CG1-CD1 4.12Å; V995-L999 HydrophobicContact CG1-CG 4.44Å; V995-L999 WeakPolarHBondContact O-CG 3.5Å; V995-L999 PolarHBondContact O-N 2.85Å; V995-W1088 HydrophobicContact CB-CZ3 4.5Å; V995-W1088 HydrophobicContact CG1-CZ3 4.21Å; V995-W1088 HydrophobicContact CG2-CZ3 4.47Å; V995-A1091 HydrophobicContact CG2-CB 3.74Å; V995-L1242 VanDerWaalsContact CG2-O 3.24Å; V995-L1242 WeakPolarHBondContact CG2-O 3.29Å
996L90.7Very high88.6Confident8 Ų832.2 Ų32.24%0.04216%0.157CC..Hα-helixtrans-60.3-42.7174.9-74.2169.3000112L972 K992 M993 L999 L1000 L1032 L1036L972-L996 HydrophobicContact CD1-CB 4.06Å; K992-L996 WeakPolarHBondContact O-CG 3.46Å; K992-L996 PolarHBondContact O-N 3.13Å; M993-L996 WeakPolarHBondContact O-CB 3.44Å; M993-L996 PolarHBondContact O-N 2.83Å; M993-L996 HydrophobicContact SD-CD1 4.4Å; L996-L999 PolarHBondContact O-N 3.23Å; L996-L1000 WeakPolarHBondContact O-CG 3.47Å; L996-L1000 PolarHBondContact O-N 3.49Å; L996-L1032 HydrophobicContact CD2-CD1 3.31Å; L996-L1032 HydrophobicContact CD2-CG 3.91Å; L996-L1036 HydrophobicContact CD1-CD1 4.2Å
997I90.5Very high88.5Confident1 Ų132.6 Ų32.61%0.00515%0.153CC..Hα-helixtrans-60.7-47174.2-66166.1000110.3L972 Y973 V976 M993 Y994 V995 L999 L1000 M1001 L1083L972-I997 HydrophobicContact CB-CD1 3.97Å; L972-I997 HydrophobicContact CB-CG1 3.55Å; L972-I997 HydrophobicContact CD1-CG1 4.37Å; L972-I997 HydrophobicContact CG-CG1 4.47Å; Y973-I997 HydrophobicContact CD2-CD1 4.04Å; Y973-I997 HydrophobicContact CG-CD1 4.48Å; V976-I997 HydrophobicContact CG2-CD1 4.15Å; M993-I997 WeakPolarHBondContact O-CG1 3.3Å; M993-I997 PolarHBondContact O-N 2.9Å; Y994-I997 HydrophobicContact CD1-CD1 4.28Å; Y994-I997 PolarHBondContact O-N 2.8Å; V995-I997 VanDerWaalsContact C-N 3.33Å; V995-I997 PolarHBondContact O-N 2.8Å; I997-L999 VanDerWaalsContact C-N 3.35Å; I997-L999 PolarHBondContact O-N 3.29Å; I997-L1000 PolarHBondContact O-N 3.28Å; I997-M1001 WeakPolarHBondContact O-CG 3.31Å; I997-M1001 PolarHBondContact O-N 2.96Å; I997-L1083 HydrophobicContact CG2-CD1 4.4Å; I997-L1083 HydrophobicContact CG2-CD2 3.75Å; I997-L1083 HydrophobicContact CG2-CG 4.23Å
998G90.2Very high88.1Confident0 Ų032.9 Ų32.90%015%0.152CC..Hα-helixtrans-56.8-44.717600000113Y994 V995 M1001 E1002Y994-G998 PolarHBondContact O-N 3.06Å; V995-G998 PolarHBondContact O-N 3.04Å; G998-M1001 PolarHBondContact O-N 3.1Å; G998-E1002 WeakPolarHBondContact O-CG 3.25Å; G998-E1002 PolarHBondContact O-N 3.28Å
999L91.6Very high87.4Confident50 Ų5037.1 Ų37.126%0.26217%0.168SC..Hα-helixtrans-67.1-41.2178.5-69.6173.1000113.2V995 L996 I997 M1001 E1002 Q1003 W1088 T1224V995-L999 HydrophobicContact CG1-CD1 4.12Å; V995-L999 HydrophobicContact CG1-CG 4.44Å; V995-L999 WeakPolarHBondContact O-CG 3.5Å; V995-L999 PolarHBondContact O-N 2.85Å; L996-L999 PolarHBondContact O-N 3.23Å; I997-L999 VanDerWaalsContact C-N 3.35Å; I997-L999 PolarHBondContact O-N 3.29Å; L999-M1001 VanDerWaalsContact C-N 3.29Å; L999-M1001 PolarHBondContact O-N 3.48Å; L999-E1002 PolarHBondContact O-N 3.22Å; L999-Q1003 WeakPolarHBondContact O-CG 2.97Å; L999-Q1003 PolarHBondContact O-N 3.01Å; L999-W1088 HydrophobicContact CD2-CH2 3.96Å; L999-W1088 HydrophobicContact CG-CH2 4.07Å; L999-T1224 HydrophobicContact CD2-CG2 3.76Å
1000L90.4Very high86.1Confident4 Ų441.6 Ų41.62%0.02119%0.194CC..Hα-helixtrans-63.8-37.3175.7-73.9167.6000111.6V956 K960 F965 A968 A969 L972 L996 I997 Q1003 Y1004V956-L1000 HydrophobicContact CG1-CD1 3.93Å; K960-L1000 HydrophobicContact CD-CD2 4.39Å; K960-L1000 HydrophobicContact CG-CD2 4.3Å; F965-L1000 HydrophobicContact CD1-CD2 4.2Å; A968-L1000 HydrophobicContact CB-CD1 3.91Å; A968-L1000 HydrophobicContact CB-CD2 4.13Å; A969-L1000 HydrophobicContact CB-CB 3.99Å; A969-L1000 HydrophobicContact CB-CD1 4.42Å; L972-L1000 HydrophobicContact CD1-CD1 3.49Å; L972-L1000 VanDerWaalsContact CD1-CD1 3.49Å; L996-L1000 WeakPolarHBondContact O-CG 3.47Å; L996-L1000 PolarHBondContact O-N 3.49Å; I997-L1000 PolarHBondContact O-N 3.28Å; L1000-Q1003 PolarHBondContact O-N 2.86Å; L1000-Y1004 WeakPolarHBondContact O-CB 3.32Å; L1000-Y1004 PolarHBondContact O-N 2.82Å
1001M89.5Confident84.6Confident0 Ų048.3 Ų48.30%023%0.226CC..Hα-helixtrans-68.2-38.7175.4-69.8-57.9-64.200112.3L966 A969 I997 G998 L999 Y1004 Y1005 L1083 I1084 P1087L966-M1001 HydrophobicContact CD1-CE 4.11Å; L966-M1001 HydrophobicContact CD1-SD 3.97Å; A969-M1001 HydrophobicContact CB-CG 4.2Å; A969-M1001 HydrophobicContact CB-SD 3.86Å; I997-M1001 WeakPolarHBondContact O-CG 3.31Å; I997-M1001 PolarHBondContact O-N 2.96Å; G998-M1001 PolarHBondContact O-N 3.1Å; L999-M1001 VanDerWaalsContact C-N 3.29Å; L999-M1001 PolarHBondContact O-N 3.48Å; M1001-Y1004 HydrophobicContact CE-CD1 4.21Å; M1001-Y1004 WeakPolarHBondContact O-CB 3.3Å; M1001-Y1004 PolarHBondContact O-N 3.12Å; M1001-Y1005 HydrophobicContact CB-CE2 4.39Å; M1001-Y1005 HydrophobicContact CE-CE1 4.27Å; M1001-Y1005 WeakPolarHBondContact O-CD2 3.27Å; M1001-Y1005 VanDerWaalsContact O-CG 3.27Å; M1001-Y1005 PolarHBondContact O-N 3.48Å; M1001-L1083 HydrophobicContact CE-CD2 4.46Å; M1001-L1083 HydrophobicContact CG-CD2 3.87Å; M1001-L1083 HydrophobicContact SD-CD2 3.86Å; M1001-I1084 HydrophobicContact CE-CG1 3.95Å; M1001-P1087 HydrophobicContact CB-CB 4.17Å; M1001-P1087 HydrophobicContact CG-CB 4.32Å
1002E88.3Confident82.9Confident50 Ų5051.6 Ų51.623%0.23426%0.255CS..Hα-helixtrans-61.9-41.9171.6-69.5-61.7158.300111.6G998 L999 Y1004 Y1005 E1006 W1088 T1224G998-E1002 WeakPolarHBondContact O-CG 3.25Å; G998-E1002 PolarHBondContact O-N 3.28Å; L999-E1002 PolarHBondContact O-N 3.22Å; E1002-Y1004 VanDerWaalsContact C-N 3.33Å; E1002-Y1004 PolarHBondContact O-N 3.01Å; E1002-Y1005 PolarHBondContact O-N 3.29Å; E1002-E1006 PolarHBondContact O-N 2.59Å; E1002-W1088 HydrophobicContact CG-CZ2 4.03Å; E1002-W1088 PolarHBondContact OE1-NE1 3.07Å; E1002-T1224 HydrophobicContact CG-CG2 4.2Å
1003Q87.4Confident80.5Confident42 Ų4255.5 Ų55.520%0.19628%0.277CS..Hα-helixtrans-63.2-38.4174.8-71.6-173.6-21.100112.4F965 L999 L1000 E1006 Q1007F965-Q1003 HydrophobicContact CD1-CB 4.07Å; F965-Q1003 HydrophobicContact CD2-CB 4.1Å; F965-Q1003 HydrophobicContact CE1-CB 4.3Å; F965-Q1003 VanDerWaalsContact CE1-OE1 3.31Å; F965-Q1003 HydrophobicContact CE2-CB 4.34Å; F965-Q1003 HydrophobicContact CG-CB 3.97Å; F965-Q1003 HydrophobicContact CZ-CB 4.44Å; L999-Q1003 WeakPolarHBondContact O-CG 2.97Å; L999-Q1003 PolarHBondContact O-N 3.01Å; L1000-Q1003 PolarHBondContact O-N 2.86Å; Q1003-E1006 PolarHBondContact O-N 3.07Å; Q1003-Q1007 WeakPolarHBondContact O-CB 2.94Å; Q1003-Q1007 PolarHBondContact O-N 2.81Å
1004Y87.3Confident77.9Confident61 Ų6161 Ų6124%0.23931%0.311CS..Hα-helixtrans-62.5-44172.3174.2-106.8000111.8L966 L1000 M1001 E1002 E1006 Q1007 N1008L966-Y1004 HydrophobicContact CB-CD2 3.89Å; L966-Y1004 HydrophobicContact CB-CE2 3.92Å; L966-Y1004 HydrophobicContact CB-CG 4.42Å; L966-Y1004 HydrophobicContact CD1-CD1 4.13Å; L966-Y1004 HydrophobicContact CD1-CD2 4.45Å; L966-Y1004 HydrophobicContact CD1-CE1 3.97Å; L966-Y1004 HydrophobicContact CD1-CE2 4.3Å; L966-Y1004 HydrophobicContact CD1-CG 4.36Å; L966-Y1004 HydrophobicContact CD2-CE2 4.33Å; L966-Y1004 HydrophobicContact CG-CE2 4.42Å; L1000-Y1004 WeakPolarHBondContact O-CB 3.32Å; L1000-Y1004 PolarHBondContact O-N 2.82Å; M1001-Y1004 HydrophobicContact CE-CD1 4.21Å; M1001-Y1004 WeakPolarHBondContact O-CB 3.3Å; M1001-Y1004 PolarHBondContact O-N 3.12Å; E1002-Y1004 VanDerWaalsContact C-N 3.33Å; E1002-Y1004 PolarHBondContact O-N 3.01Å; Y1004-E1006 PolarHBondContact O-N 3.09Å; Y1004-Q1007 PolarHBondContact O-N 2.79Å; Y1004-N1008 VanDerWaalsContact CE1-ND2 3.32Å; Y1004-N1008 WeakPolarHBondContact CE1-ND2 3.37Å; Y1004-N1008 WeakPolarHBondContact CE2-ND2 3.3Å; Y1004-N1008 WeakPolarHBondContact O-CB 3.49Å; Y1004-N1008 PolarHBondContact O-N 3.07Å; Y1004-N1008 PolarHBondContact OH-ND2 3.1Å
1005Y85.5Confident75Confident66 Ų6669.4 Ų69.426%0.25935%0.348SS..Hα-helixtrans-64.5-36.9176.3-65.2-35.5000112.8M1001 E1002 K1009 I1084M1001-Y1005 HydrophobicContact CB-CE2 4.39Å; M1001-Y1005 HydrophobicContact CE-CE1 4.27Å; M1001-Y1005 WeakPolarHBondContact O-CD2 3.27Å; M1001-Y1005 VanDerWaalsContact O-CG 3.27Å; M1001-Y1005 PolarHBondContact O-N 3.48Å; E1002-Y1005 PolarHBondContact O-N 3.29Å; Y1005-K1009 WeakPolarHBondContact O-CB 3.45Å; Y1005-K1009 WeakPolarHBondContact O-CG 3.05Å; Y1005-K1009 PolarHBondContact O-N 2.86Å; Y1005-I1084 WeakPolarHBondContact OH-CA 3.48Å; Y1005-I1084 WeakPolarHBondContact OH-CG2 3.36Å; Y1005-I1084 PolarHBondContact OH-O 2.94Å
1006E82.6Confident72.2Confident125 Ų12575.6 Ų75.658%0.58439%0.388SS*.Hα-helixtrans-68.3-45.6173.8-76-174.9165.600112.7E1002 Q1003 Y1004 N1008 K1009 L1010E1002-E1006 PolarHBondContact O-N 2.59Å; Q1003-E1006 PolarHBondContact O-N 3.07Å; Y1004-E1006 PolarHBondContact O-N 3.09Å; E1006-N1008 VanDerWaalsContact C-N 3.29Å; E1006-N1008 PolarHBondContact O-N 2.96Å; E1006-K1009 PolarHBondContact O-N 3.2Å; E1006-K1009 VanDerWaalsContact O-N 3.16Å; E1006-L1010 PolarHBondContact O-N 2.82Å
1007Q79.7Confident69.2Low61 Ų6186.4 Ų86.429%0.28543%0.428SS..Hα-helixtrans-59.8-41.7177.6-169.5-177.816.100111.2G963 F965 Q1003 Y1004 L1010 Q1011G963-Q1007 PolarHBondContact O-NE2 3Å; G963-Q1007 PolarHBondContact O-OE1 2.9Å; F965-Q1007 HydrophobicContact CD2-CB 4.4Å; F965-Q1007 HydrophobicContact CE2-CB 4.28Å; F965-Q1007 HydrophobicContact CE2-CG 4.47Å; F965-Q1007 VanDerWaalsContact CE2-OE1 3.24Å; Q1003-Q1007 WeakPolarHBondContact O-CB 2.94Å; Q1003-Q1007 PolarHBondContact O-N 2.81Å; Y1004-Q1007 PolarHBondContact O-N 2.79Å; Q1007-L1010 PolarHBondContact O-N 2.88Å; Q1007-Q1011 PolarHBondContact O-N 2.84Å; Q1007-Q1011 VanDerWaalsContact O-N 3.1Å
1008N76.7Confident66.2Low58 Ų5893.3 Ų93.331%0.3147%0.465SS..Hα-helixtrans-71.6-32.9176.5-74.8-14.1000112.9Y1004 E1006 Q1011 A1012Y1004-N1008 VanDerWaalsContact CE1-ND2 3.32Å; Y1004-N1008 WeakPolarHBondContact CE1-ND2 3.37Å; Y1004-N1008 WeakPolarHBondContact CE2-ND2 3.3Å; Y1004-N1008 WeakPolarHBondContact O-CB 3.49Å; Y1004-N1008 PolarHBondContact O-N 3.07Å; Y1004-N1008 PolarHBondContact OH-ND2 3.1Å; E1006-N1008 VanDerWaalsContact C-N 3.29Å; E1006-N1008 PolarHBondContact O-N 2.96Å; N1008-Q1011 PolarHBondContact O-N 3.07Å; N1008-A1012 WeakPolarHBondContact O-CB 3.38Å; N1008-A1012 PolarHBondContact O-N 2.8Å
1009K73.8Confident63.4Low146 Ų146100 Ų10064%0.63551%0.508SS*.Hα-helixtrans-63.4-39.9170.5-87176.9178.4170.60111.9Y1005 E1006 Q1011 A1012 N1013Y1005-K1009 WeakPolarHBondContact O-CB 3.45Å; Y1005-K1009 WeakPolarHBondContact O-CG 3.05Å; Y1005-K1009 PolarHBondContact O-N 2.86Å; E1006-K1009 PolarHBondContact O-N 3.2Å; E1006-K1009 VanDerWaalsContact O-N 3.16Å; K1009-Q1011 VanDerWaalsContact C-N 3.3Å; K1009-Q1011 PolarHBondContact O-N 3.05Å; K1009-A1012 PolarHBondContact O-N 3.35Å; K1009-N1013 WeakPolarHBondContact O-CB 3.48Å; K1009-N1013 PolarHBondContact O-N 3.05Å
1010L61.6Low60.6Low137 Ų137102 Ų10272%0.71753%0.532SS*.Hα-helixtrans-67.9-28.9176-74.3163.7000112.7E1006 Q1007 N1013E1006-L1010 PolarHBondContact O-N 2.82Å; Q1007-L1010 PolarHBondContact O-N 2.88Å; L1010-N1013 VanDerWaalsContact O-O 3.12Å
1011Q57.2Low57.5Low147 Ų147108.3 Ų108.369%0.68758%0.575SS**Hα-helixtrans-78.2-30172-70.3-176.16.400112.8Q1007 N1008 K1009Q1007-Q1011 PolarHBondContact O-N 2.84Å; Q1007-Q1011 VanDerWaalsContact O-N 3.1Å; N1008-Q1011 PolarHBondContact O-N 3.07Å; K1009-Q1011 VanDerWaalsContact C-N 3.3Å; K1009-Q1011 PolarHBondContact O-N 3.05Å
1012A54.3Low54.6Low82 Ų82111 Ų11168%0.67860%0.603SS**Hα-helixtrans-80.4-25.8177.500000113.7N1008 K1009N1008-A1012 WeakPolarHBondContact O-CB 3.38Å; N1008-A1012 PolarHBondContact O-N 2.8Å; K1009-A1012 PolarHBondContact O-N 3.35Å
1013N41.4Very low51.9Low110 Ų110117.7 Ų117.759%0.58863%0.634SS**SBendtrans-120.6122.5-177.3-89-29.6000111.4K1009 L1010K1009-N1013 WeakPolarHBondContact O-CB 3.48Å; K1009-N1013 PolarHBondContact O-N 3.05Å; L1010-N1013 VanDerWaalsContact O-O 3.12Å
1014V35.1Very low49.2Very low120 Ų120119 Ų11973%0.72766%0.659SS**  trans89.9109.7142-179.20000116.5
1015K29.5Very low46.7Very low185 Ų185121.5 Ų121.580%0.80468%0.68SS**SBendtrans-12.9136.6140.6-70.7174.2173.4176.90114R1017K1015-R1017 PolarHBondContact O-N 2.79Å; K1015-R1017 VanDerWaalsContact O-N 3.16Å
1016P33.9Very low44.3Very low134 Ų134125 Ų12587%0.8770%0.703SS**  trans-63.2120.5-175.327.7-33.3000110.8
1017R26.7Very low41.9Very low236 Ų236126.1 Ų126.189%0.89171%0.71SS**  trans-121121.5161-93.9-175.6169.9177.7-2.9108.4K1015K1015-R1017 PolarHBondContact O-N 2.79Å; K1015-R1017 VanDerWaalsContact O-N 3.16Å
1018N27.9Very low39.8Very low146 Ų146125.1 Ų125.178%0.78171%0.712SS**  trans30.3115.5164.9-79.9-1.1000119.7A1020N1018-A1020 VanDerWaalsContact C-N 3.34Å; N1018-A1020 PolarHBondContact O-N 3.22Å
1019P30.6Very low37.8Very low140 Ų140124.8 Ų124.891%0.90971%0.714SS**SBendtrans-78.384.4164.132.9-28.6000109.3
1020A32.4Very low36.3Very low92 Ų92121.5 Ų121.576%0.7671%0.709SS**  trans-139.814170.300000112.7N1018N1018-A1020 VanDerWaalsContact C-N 3.34Å; N1018-A1020 PolarHBondContact O-N 3.22Å
1021C26.5Very low35.3Very low136 Ų136117.9 Ų117.992%0.91969%0.693SS**  trans-144.491.2-177.8-1470000109.2
1022G29.1Very low34.6Very low57 Ų57111.6 Ų111.659%0.58866%0.664SS**  trans-149.510.9-176.200000114.9G1024G1022-G1024 PolarHBondContact O-N 2.89Å
1023E29.9Very low33.9Very low191 Ų191109.6 Ų109.689%0.89365%0.647SS**THydrogen-bonded Turntrans-73.3-10.1-178.8-75.1-179.6152.600113.7
1024G31.7Very low33.9Very low69 Ų69105.9 Ų105.971%0.71164%0.636SS**THydrogen-bonded Turntrans-79-14.5-179.700000116.1G1022G1022-G1024 PolarHBondContact O-N 2.89Å
1025V35.3Very low34.3Very low114 Ų114101.6 Ų101.669%0.69161%0.608SS**THydrogen-bonded Turntrans-87.7-14.6-165.9-176.70000113.5
1026L34.8Very low34.9Very low140 Ų14094.5 Ų94.573%0.73358%0.579SS**THydrogen-bonded Turntrans-77.2-20.7-177.5-81.7159.8000114.5A1028 S1029L1026-A1028 VanDerWaalsContact C-N 3.31Å; L1026-A1028 PolarHBondContact O-N 3.17Å; L1026-S1029 PolarHBondContact O-N 2.89Å
1027M32.6Very low35.4Very low148 Ų14893.2 Ų93.273%0.72956%0.564SS**Hα-helixtrans-72-20.6-177.9-78.2-154.1-179.300114.5S1030 T1031M1027-S1030 PolarHBondContact O-OG 2.75Å; M1027-T1031 PolarHBondContact O-OG1 3.03Å
1028A33.9Very low36Very low40 Ų4086.3 Ų86.333%0.33155%0.549SS..Hα-helixtrans-82.9-11.1179.500000113.8K960 L1026 T1031K960-A1028 PolarHBondContact NZ-O 3Å; L1026-A1028 VanDerWaalsContact C-N 3.31Å; L1026-A1028 PolarHBondContact O-N 3.17Å; A1028-T1031 WeakPolarHBondContact CA-OG1 3.32Å
1029S36.6Very low36.3Very low51 Ų5184 Ų8436%0.35753%0.533SS..Hα-helixtrans-83.3-45.1174.5161.10000110.6L1026 T1031 L1032 A1033L1026-S1029 PolarHBondContact O-N 2.89Å; S1029-T1031 VanDerWaalsContact C-N 3.29Å; S1029-T1031 PolarHBondContact O-N 2.83Å; S1029-L1032 PolarHBondContact O-N 3.44Å; S1029-A1033 PolarHBondContact O-N 2.83Å
1030S41.4Very low36.6Very low76 Ų7684.7 Ų84.753%0.53152%0.524SS..Hα-helixtrans-66.2-29.7178.8610000113.2M1027 G1034M1027-S1030 PolarHBondContact O-OG 2.75Å; S1030-G1034 PolarHBondContact O-N 3.43Å
1031T40.6Very low36.5Very low61 Ų6187 Ų8737%0.37452%0.524SS..Hα-helixtrans-69.3-32.2175.89.50000112.6M1027 A1028 S1029 G1034 L1035M1027-T1031 PolarHBondContact O-OG1 3.03Å; A1028-T1031 WeakPolarHBondContact CA-OG1 3.32Å; S1029-T1031 VanDerWaalsContact C-N 3.29Å; S1029-T1031 PolarHBondContact O-N 2.83Å; T1031-G1034 PolarHBondContact O-N 2.65Å; T1031-L1035 VanDerWaalsContact O-CB 3.26Å; T1031-L1035 WeakPolarHBondContact O-CB 3.3Å; T1031-L1035 WeakPolarHBondContact O-CD1 3.1Å; T1031-L1035 VanDerWaalsContact O-CG 3.29Å; T1031-L1035 WeakPolarHBondContact O-CG 3.4Å; T1031-L1035 PolarHBondContact O-N 2.97Å
1032L43.1Very low36.7Very low15 Ų1588.5 Ų88.58%0.07952%0.517CS..Hα-helixtrans-68.5-45.9-180-151.6109.1000110.8E957 L996 S1029E957-L1032 HydrophobicContact CG-CD2 4.38Å; L996-L1032 HydrophobicContact CD2-CD1 3.31Å; L996-L1032 HydrophobicContact CD2-CG 3.91Å; S1029-L1032 PolarHBondContact O-N 3.44Å
1033A39.8Very low36.6Very low40 Ų4091.5 Ų91.533%0.33152%0.524SS..Hα-helixtrans-64.7-45.6173.100000111.1S1029 L1035 L1036 L1037S1029-A1033 PolarHBondContact O-N 2.83Å; A1033-L1035 PolarHBondContact O-N 3.26Å; A1033-L1036 PolarHBondContact O-N 2.98Å; A1033-L1037 HydrophobicContact CB-CD1 3.91Å; A1033-L1037 WeakPolarHBondContact O-CB 3.35Å; A1033-L1037 WeakPolarHBondContact O-CD1 3.4Å; A1033-L1037 WeakPolarHBondContact O-CG 3.35Å; A1033-L1037 PolarHBondContact O-N 2.68Å
1034G41.1Very low36.5Very low33 Ų3390 Ų9034%0.3452%0.521SS..Hα-helixtrans-64.9-36.2-179.300000114.8S1030 T1031 T1038S1030-G1034 PolarHBondContact O-N 3.43Å; T1031-G1034 PolarHBondContact O-N 2.65Å; G1034-T1038 WeakPolarHBondContact O-CG2 3.49Å; G1034-T1038 PolarHBondContact O-OG1 2.89Å
1035L43.5Very low36.2Very low29 Ų2995.4 Ų95.415%0.15253%0.527CS..Hα-helixtrans-73.4-27-177.4-82.1162.6000113.6K992 T1031 A1033K992-L1035 WeakPolarHBondContact CE-O 3.13Å; K992-L1035 PolarHBondContact NZ-O 3.01Å; T1031-L1035 VanDerWaalsContact O-CB 3.26Å; T1031-L1035 WeakPolarHBondContact O-CB 3.3Å; T1031-L1035 WeakPolarHBondContact O-CD1 3.1Å; T1031-L1035 VanDerWaalsContact O-CG 3.29Å; T1031-L1035 WeakPolarHBondContact O-CG 3.4Å; T1031-L1035 PolarHBondContact O-N 2.97Å; A1033-L1035 PolarHBondContact O-N 3.26Å
1036L42.5Very low35.8Very low37 Ų3796.6 Ų96.619%0.19453%0.529CS..Hα-helixtrans-100.1-31.1-178-75.1161.8000113.1I953 Y989 L996 A1033I953-L1036 HydrophobicContact CD1-CD1 3.97Å; I953-L1036 HydrophobicContact CD1-CD2 3.84Å; I953-L1036 HydrophobicContact CD1-CG 4.49Å; I953-L1036 HydrophobicContact CG1-CD1 4.4Å; I953-L1036 HydrophobicContact CG2-CD1 3.65Å; Y989-L1036 HydrophobicContact CE2-CD2 4.43Å; L996-L1036 HydrophobicContact CD1-CD1 4.2Å; A1033-L1036 PolarHBondContact O-N 2.98Å
1037L42.5Very low35.4Very low106 Ų10696.3 Ų96.356%0.55553%0.528SS*.Hα-helixtrans-81.8-18.1-176.7-66.1168.1000113.9A1033 E1039A1033-L1037 HydrophobicContact CB-CD1 3.91Å; A1033-L1037 WeakPolarHBondContact O-CB 3.35Å; A1033-L1037 WeakPolarHBondContact O-CD1 3.4Å; A1033-L1037 WeakPolarHBondContact O-CG 3.35Å; A1033-L1037 PolarHBondContact O-N 2.68Å; L1037-E1039 VanDerWaalsContact C-N 3.33Å; L1037-E1039 PolarHBondContact O-N 2.69Å
1038T39.6Very low35.2Very low92 Ų9295.9 Ų95.956%0.56453%0.529SS*.THydrogen-bonded Turntrans-78.5-2.2-170.843.30000116.4G1034G1034-T1038 WeakPolarHBondContact O-CG2 3.49Å; G1034-T1038 PolarHBondContact O-OG1 2.89Å
1039E35.1Very low34.9Very low97 Ų97101.2 Ų101.245%0.45355%0.552SS.*THydrogen-bonded Turntrans-113-7.3177.2-85.5171.1-137.100114.7L988 K992 L1037L988-E1039 VanDerWaalsContact CD2-OE1 3.24Å; L988-E1039 WeakPolarHBondContact CD2-OE1 3.4Å; K992-E1039 IonicContact NZ-OE1 2.67Å; K992-E1039 PolarHBondContact NZ-OE1 3.31Å; L1037-E1039 VanDerWaalsContact C-N 3.33Å; L1037-E1039 PolarHBondContact O-N 2.69Å
1040Q35.9Very low34.5Very low155 Ų155102 Ų10272%0.72457%0.568SS**THydrogen-bonded Turntrans-82.5-17.8179.7-74.9-172.4-26.300114.2
1041D31.5Very low33.9Very low140 Ų140106 Ų10675%0.74958%0.582SS**SBendtrans-101.74.3-172.1-71.6-23.9000116
1042H29.2Very low33.4Very low168 Ų168109.2 Ų109.278%0.77860%0.595SS**SBendtrans-121.36.5-173-75.8-35.8000118
1043T27.6Very low32.8Very low119 Ų119116.3 Ų116.373%0.7363%0.633SS**  trans-145.161.1178.556.10000113.9
1044I28Very low32.6Very low161 Ų161121.9 Ų121.983%0.82665%0.65SS**  trans-139.767.6160.1-48.5178.5000109.6
1045H26.4Very low32.2Very low182 Ų182127.4 Ų127.484%0.84367%0.667SS**  trans-136.890.9156.6-104.4-56.3000106.9
1046N26.6Very low31.7Very low139 Ų139131.4 Ų131.474%0.74370%0.697SS**SBendtrans155.1123143.6-84.1-22.5000110.5
1047N25.8Very low31.3Very low133 Ų133137 Ų13771%0.71172%0.722SS**  trans58.9105.9145.9-59.7-14.9000117.4
1048N29.4Very low30.8Very low140 Ų140138 Ų13875%0.74973%0.727SS**  162.3111.3122.3-81.5-29.4000107.2
1049N27.4Very low30.5Very low151 Ų151141.4 Ų141.481%0.80774%0.741SS**  67.8128.499.5-75.9-23.4000112.7
1050G28Very low30.5Very low67 Ų67145.1 Ų145.169%0.69176%0.758SS**  trans-51.2150.4-176.900000114.2
1051I29.2Very low30.3Very low161 Ų161144.7 Ų144.783%0.82676%0.761SS**  trans170.477.8146.8-78.1143.1000104.1
1052I30.1Very low30.2Very low128 Ų128147.3 Ų147.366%0.65676%0.762SS**  trans-145.361.8155.3-48.3-179.8000107.9E1055I1052-E1055 HydrophobicContact CG2-CG 4.06Å
1053N30.5Very low30.2Very low164 Ų164147.2 Ų147.288%0.87777%0.767SS**SBendtrans-114.777.7152.3-87.7-16.2000105.1
1054K35.6Very low30.2Very low157 Ų157146.4 Ų146.468%0.68377%0.766SS**  trans-166.10.2171.4-113.2172-173.3-173.90116S1056K1054-S1056 VanDerWaalsContact C-N 3.29Å; K1054-S1056 PolarHBondContact O-N 2.49Å
1055E31Very low30.2Very low150 Ų150143.9 Ų143.970%0.70175%0.753SS**THydrogen-bonded Turntrans-81.3-2.1-179.1-72.9-175.8150.200114.5I1052I1052-E1055 HydrophobicContact CG2-CG 4.06Å
1056S34.5Very low30.2Very low112 Ų112144.4 Ų144.478%0.78376%0.756SS**THydrogen-bonded Turntrans-85.9-1.617647.20000115.5K1054K1054-S1056 VanDerWaalsContact C-N 3.29Å; K1054-S1056 PolarHBondContact O-N 2.49Å
1057E34Very low30.3Very low154 Ų154146.3 Ų146.372%0.7275%0.754SS**SBendtrans-109.2-6.4-177.1-78.1-176.3155.600115.8
1058I32.4Very low30.3Very low128 Ų128144.5 Ų144.566%0.65675%0.752SS**G310 helixtrans-91.7-7.7-173.9-61.7173.7000113.2Q1060I1058-Q1060 VanDerWaalsContact C-N 3.29Å; I1058-Q1060 PolarHBondContact O-N 3.12Å
1059L32.3Very low30.3Very low163 Ų163144.6 Ų144.685%0.85375%0.752SS**G310 helixtrans-776.3-176.5-93.4152.5000116.3
1060Q35Very low30.6Very low176 Ų176141.7 Ų141.782%0.82274%0.744SS**G310 helixtrans-110.3-9.9-178.9-78.8-175.5-11.100116.5I1058I1058-Q1060 VanDerWaalsContact C-N 3.29Å; I1058-Q1060 PolarHBondContact O-N 3.12Å
1061N31.6Very low30.9Very low145 Ų145144.6 Ų144.678%0.77574%0.743SS**SBendtrans-104.42.5-169-85.5-18.8000117.4
1062Y29.8Very low31.2Very low196 Ų196140.9 Ų140.977%0.76972%0.724SS**  trans-934.2-176.5-101.7-86.3000116.3S1064Y1062-S1064 VanDerWaalsContact C-N 3.35Å; Y1062-S1064 PolarHBondContact O-N 3.48Å
1063N28.1Very low31.5Very low165 Ų165139.6 Ų139.688%0.88272%0.718SS**SBendtrans-84.923.8-175.1-88.8-22000116.5
1064S28.2Very low31.8Very low102 Ų102138.3 Ų138.371%0.71371%0.71SS**  trans-149.263.6179.759.10000114.7Y1062Y1062-S1064 VanDerWaalsContact C-N 3.35Å; Y1062-S1064 PolarHBondContact O-N 3.48Å
1065I27.5Very low32.3Very low108 Ų108135.6 Ų135.655%0.55470%0.702SS**  trans-130.886.6157.6-47.5176.9000109.6Y1067I1065-Y1067 HydrophobicContact CB-CD2 4.29Å; I1065-Y1067 HydrophobicContact CB-CE2 3.95Å; I1065-Y1067 HydrophobicContact CG2-CD1 4.38Å; I1065-Y1067 HydrophobicContact CG2-CD2 3.57Å; I1065-Y1067 HydrophobicContact CG2-CE1 4.08Å; I1065-Y1067 HydrophobicContact CG2-CE2 3.21Å; I1065-Y1067 HydrophobicContact CG2-CG 4.15Å; I1065-Y1067 VanDerWaalsContact CG2-CZ 3.49Å; I1065-Y1067 PolarHBondContact O-N 2.95Å; I1065-Y1067 VanDerWaalsContact O-N 3.1Å
1066Q26.4Very low32.9Very low194 Ų194133 Ų13391%0.90769%0.689SS**  trans-63.499.9159.7-78.2-179.7-26.300108.3S1068Q1066-S1068 PolarHBondContact O-N 3.2Å
1067Y28.7Very low33.9Very low178 Ų178131.3 Ų131.370%0.69867%0.674SS**  trans-79103.8167.7-80.6-75.9000109.4I1065I1065-Y1067 HydrophobicContact CB-CD2 4.29Å; I1065-Y1067 HydrophobicContact CB-CE2 3.95Å; I1065-Y1067 HydrophobicContact CG2-CD1 4.38Å; I1065-Y1067 HydrophobicContact CG2-CD2 3.57Å; I1065-Y1067 HydrophobicContact CG2-CE1 4.08Å; I1065-Y1067 HydrophobicContact CG2-CE2 3.21Å; I1065-Y1067 HydrophobicContact CG2-CG 4.15Å; I1065-Y1067 VanDerWaalsContact CG2-CZ 3.49Å; I1065-Y1067 PolarHBondContact O-N 2.95Å; I1065-Y1067 VanDerWaalsContact O-N 3.1Å
1068S27.1Very low35.1Very low95 Ų95129.2 Ų129.266%0.66467%0.668SS**  trans-59.4128.7170.746.30000111.1Q1066 S1070Q1066-S1068 PolarHBondContact O-N 3.2Å; S1068-S1070 PolarHBondContact O-N 2.87Å
1069N28.5Very low36.4Very low142 Ų142125.9 Ų125.976%0.75965%0.653SS**THydrogen-bonded Turntrans-82.811.2-158.6-116.9-18.4000116.3
1070S35Very low37.9Very low90 Ų90120.3 Ų120.363%0.62962%0.623SS**THydrogen-bonded Turntrans-103-30.3-172.943.50000114.9S1068S1068-S1070 PolarHBondContact O-N 2.87Å
1071N34.3Very low39.5Very low128 Ų128116 Ų11668%0.68461%0.606SS**SBendtrans-91.1-16.6-177.4-78.6-14.3000114.5
1072M34.1Very low41.3Very low84 Ų84116.7 Ų116.741%0.41460%0.598SS.*Hα-helixtrans-74.2-23.4-178.1-97.7-75.4-103.200114.3I1075 K1076M1072-I1075 PolarHBondContact O-N 3.01Å; M1072-K1076 VanDerWaalsContact O-CB 3.3Å; M1072-K1076 WeakPolarHBondContact O-CB 3.48Å; M1072-K1076 WeakPolarHBondContact O-CG 3.35Å; M1072-K1076 PolarHBondContact O-N 2.91Å
1073N37Very low43.4Very low101 Ų101107.9 Ų107.954%0.5456%0.564SS.*Hα-helixtrans-72.9-29.8-176.6-79-16.6000113.6T1077N1073-T1077 PolarHBondContact O-N 3.49Å; N1073-T1077 PolarHBondContact O-OG1 2.82Å
1074L37.5Very low45.6Very low136 Ų136102.9 Ų102.971%0.71254%0.537SS*.Hα-helixtrans-77.8-31.6172.1-93.296.8000112.7T1077 N1078L1074-T1077 WeakPolarHBondContact CA-OG1 3.48Å; L1074-T1077 PolarHBondContact O-OG1 2.99Å; L1074-N1078 PolarHBondContact O-N 3.48Å
1075I45.3Very low48Very low100 Ų100104.1 Ų104.151%0.51354%0.535SS..Hα-helixtrans-75.3-38.5177.7-59.4172.6000110.2M1072 T1077 V1079M1072-I1075 PolarHBondContact O-N 3.01Å; I1075-T1077 VanDerWaalsContact C-N 3.31Å; I1075-T1077 PolarHBondContact O-N 2.94Å; I1075-V1079 HydrophobicContact CG2-CG2 4.29Å; I1075-V1079 VanDerWaalsContact O-CG2 3.3Å; I1075-V1079 WeakPolarHBondContact O-CG2 3.24Å; I1075-V1079 PolarHBondContact O-N 2.82Å; I1075-V1079 VanDerWaalsContact O-N 3.14Å
1076K44.8Very low50.6Low95 Ų95104.3 Ų104.341%0.41353%0.534SS..Hα-helixtrans-59-39.3173.7-87-176.5171.6-176.80112.8M1072 M1080M1072-K1076 VanDerWaalsContact O-CB 3.3Å; M1072-K1076 WeakPolarHBondContact O-CB 3.48Å; M1072-K1076 WeakPolarHBondContact O-CG 3.35Å; M1072-K1076 PolarHBondContact O-N 2.91Å; K1076-M1080 VanDerWaalsContact O-CB 3.27Å; K1076-M1080 WeakPolarHBondContact O-CB 3.08Å; K1076-M1080 WeakPolarHBondContact O-CG 3.35Å; K1076-M1080 PolarHBondContact O-N 3.07Å; K1076-M1080 VanDerWaalsContact O-N 3.09Å
1077T54.6Low53.4Low77 Ų7795.9 Ų95.947%0.47250%0.496SS..Hα-helixtrans-73.5-42-178.1370000112.4N1073 L1074 I1075 N1081N1073-T1077 PolarHBondContact O-N 3.49Å; N1073-T1077 PolarHBondContact O-OG1 2.82Å; L1074-T1077 WeakPolarHBondContact CA-OG1 3.48Å; L1074-T1077 PolarHBondContact O-OG1 2.99Å; I1075-T1077 VanDerWaalsContact C-N 3.31Å; I1075-T1077 PolarHBondContact O-N 2.94Å; T1077-N1081 WeakPolarHBondContact O-CB 3.36Å; T1077-N1081 PolarHBondContact O-N 3.38Å; T1077-N1081 PolarHBondContact O-ND2 3.23Å; T1077-N1081 PolarHBondContact O-OD1 3.09Å
1078N58.4Low56.3Low111 Ų11188.2 Ų88.259%0.59447%0.466SS*.Hα-helixtrans-69.8-33.7178-96.8-12.5000113.7L1074 R1082L1074-N1078 PolarHBondContact O-N 3.48Å; N1078-R1082 PolarHBondContact O-N 3.47Å
1079V60.4Low59.3Low58 Ų5886.7 Ų86.735%0.35245%0.445SS..Hα-helixtrans-75.6-43.2178.4176.90000111.3Y973 I1075 R1082 L1083Y973-V1079 HydrophobicContact CD1-CG1 3.92Å; Y973-V1079 HydrophobicContact CE1-CG1 3.34Å; I1075-V1079 HydrophobicContact CG2-CG2 4.29Å; I1075-V1079 VanDerWaalsContact O-CG2 3.3Å; I1075-V1079 WeakPolarHBondContact O-CG2 3.24Å; I1075-V1079 PolarHBondContact O-N 2.82Å; I1075-V1079 VanDerWaalsContact O-N 3.14Å; V1079-R1082 PolarHBondContact O-N 3.35Å; V1079-L1083 PolarHBondContact O-N 2.84Å
1080M64.6Low62.2Low45 Ų4580.2 Ų80.222%0.22241%0.412CS..Hα-helixtrans-60.9-43.3174.9-86.8-72.5-142.600111.9L966 E970 K1076 R1082 L1083 I1084L966-M1080 HydrophobicContact CD2-CE 4.27Å; L966-M1080 HydrophobicContact CG-CE 4.37Å; E970-M1080 HydrophobicContact CB-CE 4.43Å; E970-M1080 HydrophobicContact CG-CE 4.21Å; E970-M1080 VanDerWaalsContact OE2-CE 3.32Å; E970-M1080 WeakPolarHBondContact OE2-CE 3.36Å; K1076-M1080 VanDerWaalsContact O-CB 3.27Å; K1076-M1080 WeakPolarHBondContact O-CB 3.08Å; K1076-M1080 WeakPolarHBondContact O-CG 3.35Å; K1076-M1080 PolarHBondContact O-N 3.07Å; K1076-M1080 VanDerWaalsContact O-N 3.09Å; M1080-R1082 VanDerWaalsContact C-N 3.33Å; M1080-R1082 PolarHBondContact O-N 3.21Å; M1080-L1083 PolarHBondContact O-N 3.09Å; M1080-L1083 VanDerWaalsContact O-N 3.13Å; M1080-I1084 HydrophobicContact CB-CD1 4.5Å; M1080-I1084 WeakPolarHBondContact O-CB 3.48Å; M1080-I1084 VanDerWaalsContact O-CG1 3.28Å; M1080-I1084 WeakPolarHBondContact O-CG1 3.37Å; M1080-I1084 PolarHBondContact O-N 2.9Å
1081N67.6Low64.9Low86 Ų8675.9 Ų75.946%0.4638%0.382SS..Hα-helixtrans-61.5-40.5-178.9-74-7.6000112.1T1077 L1083 I1084 D1085T1077-N1081 WeakPolarHBondContact O-CB 3.36Å; T1077-N1081 PolarHBondContact O-N 3.38Å; T1077-N1081 PolarHBondContact O-ND2 3.23Å; T1077-N1081 PolarHBondContact O-OD1 3.09Å; N1081-L1083 VanDerWaalsContact C-N 3.33Å; N1081-L1083 PolarHBondContact O-N 3.43Å; N1081-I1084 PolarHBondContact O-N 3Å; N1081-D1085 WeakPolarHBondContact O-CB 3.4Å; N1081-D1085 VanDerWaalsContact O-CG 3.31Å; N1081-D1085 PolarHBondContact O-N 3.17Å
1082R70.3Confident67.6Low160 Ų16071.3 Ų71.360%0.60436%0.356SS*.Hα-helixtrans-65.3-36.6175.7-72-174.5-170.7-177.33.4112.9N1078 V1079 M1080 Q1086N1078-R1082 PolarHBondContact O-N 3.47Å; V1079-R1082 PolarHBondContact O-N 3.35Å; M1080-R1082 VanDerWaalsContact C-N 3.33Å; M1080-R1082 PolarHBondContact O-N 3.21Å; R1082-Q1086 PolarHBondContact O-N 3.49Å
1083L73.4Confident70.4Confident11 Ų1167.3 Ų67.36%0.05834%0.336CS..Hα-helixtrans-71.9-36.2-178.8-152144.5000111.9Y973 I997 M1001 V1079 M1080 N1081 P1087Y973-L1083 VanDerWaalsContact CB-CD1 3.41Å; Y973-L1083 HydrophobicContact CD1-CD1 3.67Å; Y973-L1083 HydrophobicContact CD2-CD1 3.16Å; Y973-L1083 HydrophobicContact CD2-CG 4.2Å; Y973-L1083 HydrophobicContact CE1-CD1 4.17Å; Y973-L1083 HydrophobicContact CE2-CD1 3.69Å; Y973-L1083 HydrophobicContact CE2-CG 4.49Å; Y973-L1083 HydrophobicContact CG-CD1 3.11Å; Y973-L1083 HydrophobicContact CG-CG 4.49Å; I997-L1083 HydrophobicContact CG2-CD1 4.4Å; I997-L1083 HydrophobicContact CG2-CD2 3.75Å; I997-L1083 HydrophobicContact CG2-CG 4.23Å; M1001-L1083 HydrophobicContact CE-CD2 4.46Å; M1001-L1083 HydrophobicContact CG-CD2 3.87Å; M1001-L1083 HydrophobicContact SD-CD2 3.86Å; V1079-L1083 PolarHBondContact O-N 2.84Å; M1080-L1083 PolarHBondContact O-N 3.09Å; M1080-L1083 VanDerWaalsContact O-N 3.13Å; N1081-L1083 VanDerWaalsContact C-N 3.33Å; N1081-L1083 PolarHBondContact O-N 3.43Å; L1083-P1087 WeakPolarHBondContact O-CA 3.19Å; L1083-P1087 WeakPolarHBondContact O-CB 3.29Å
1084I74.6Confident73Confident60 Ų6063.8 Ų63.831%0.30832%0.316SS..Hα-helixtrans-70.1-46.7173.4-66.2166.9000110.2M1001 Y1005 M1080 N1081M1001-I1084 HydrophobicContact CE-CG1 3.95Å; Y1005-I1084 WeakPolarHBondContact OH-CA 3.48Å; Y1005-I1084 WeakPolarHBondContact OH-CG2 3.36Å; Y1005-I1084 PolarHBondContact OH-O 2.94Å; M1080-I1084 HydrophobicContact CB-CD1 4.5Å; M1080-I1084 WeakPolarHBondContact O-CB 3.48Å; M1080-I1084 VanDerWaalsContact O-CG1 3.28Å; M1080-I1084 WeakPolarHBondContact O-CG1 3.37Å; M1080-I1084 PolarHBondContact O-N 2.9Å; N1081-I1084 PolarHBondContact O-N 3Å
1085D77.4Confident75.7Confident128 Ų12858 Ų5868%0.68429%0.285SS*.Hα-helixtrans-75-35.7-174.2-73.1-19.5000114N1081N1081-D1085 WeakPolarHBondContact O-CB 3.4Å; N1081-D1085 VanDerWaalsContact O-CG 3.31Å; N1081-D1085 PolarHBondContact O-N 3.17Å
1086Q82.8Confident78Confident112 Ų11253.3 Ų53.352%0.52326%0.261SS..  trans-137.563.1-174.7-64.7-174.8-1300112.6R1082 W1088 R1089R1082-Q1086 PolarHBondContact O-N 3.49Å; Q1086-W1088 PolarHBondContact O-N 3.25Å; Q1086-W1088 VanDerWaalsContact O-N 3.14Å; Q1086-R1089 HydrophobicContact CB-CB 4.13Å; Q1086-R1089 PolarHBondContact O-N 2.93Å
1087P85Confident80.3Confident17 Ų1749.1 Ų49.111%0.1124%0.243CC..THydrogen-bonded Turntrans-61-29.9-171.821.6-32000113.6M1001 L1083M1001-P1087 HydrophobicContact CB-CB 4.17Å; M1001-P1087 HydrophobicContact CG-CB 4.32Å; L1083-P1087 WeakPolarHBondContact O-CA 3.19Å; L1083-P1087 WeakPolarHBondContact O-CB 3.29Å
1088W90.8Very high82.1Confident17 Ų1748.1 Ų48.16%0.06423%0.234CC..THydrogen-bonded Turntrans-89.4-11.1-175-63.2100.4000114.9V995 L999 E1002 Q1086 G1090 A1091 E1092 T1224 C1225 C1243V995-W1088 HydrophobicContact CB-CZ3 4.5Å; V995-W1088 HydrophobicContact CG1-CZ3 4.21Å; V995-W1088 HydrophobicContact CG2-CZ3 4.47Å; L999-W1088 HydrophobicContact CD2-CH2 3.96Å; L999-W1088 HydrophobicContact CG-CH2 4.07Å; E1002-W1088 HydrophobicContact CG-CZ2 4.03Å; E1002-W1088 PolarHBondContact OE1-NE1 3.07Å; Q1086-W1088 PolarHBondContact O-N 3.25Å; Q1086-W1088 VanDerWaalsContact O-N 3.14Å; W1088-G1090 VanDerWaalsContact C-N 3.29Å; W1088-G1090 PolarHBondContact O-N 2.95Å; W1088-A1091 WeakPolarHBondContact O-CB 3.19Å; W1088-A1091 PolarHBondContact O-N 2.85Å; W1088-E1092 PolarHBondContact O-N 3.27Å; W1088-T1224 HydrophobicContact CH2-CG2 4.33Å; W1088-T1224 HydrophobicContact CZ2-CG2 4.04Å; W1088-C1225 HydrophobicContact CD2-CB 3.61Å; W1088-C1225 HydrophobicContact CE3-CB 3.82Å; W1088-C1225 HydrophobicContact CG-CB 4.15Å; W1088-C1225 HydrophobicContact CH2-CB 4.1Å; W1088-C1225 HydrophobicContact CZ2-CB 3.89Å; W1088-C1225 HydrophobicContact CZ3-CB 4.06Å; W1088-C1243 HydrophobicContact CE3-CB 4.3Å; W1088-C1243 HydrophobicContact CH2-CB 3.46Å; W1088-C1243 VanDerWaalsContact CH2-CB 3.46Å; W1088-C1243 HydrophobicContact CZ2-CB 4.44Å; W1088-C1243 HydrophobicContact CZ3-CB 3.36Å
1089R90.2Very high83.8Confident63 Ų6343.7 Ų43.724%0.23821%0.21CC..Hα-helixtrans-62-33.4-170.3-169.4167.9172-101.7-3.3113.6Q1086 A1093 D1121 Y1122 D1124 I1125Q1086-R1089 HydrophobicContact CB-CB 4.13Å; Q1086-R1089 PolarHBondContact O-N 2.93Å; R1089-A1093 PolarHBondContact O-N 3.2Å; R1089-A1093 VanDerWaalsContact O-N 3.14Å; R1089-D1121 PolarHBondContact NH2-O 2.89Å; R1089-Y1122 HydrophobicContact CG-CD1 4.09Å; R1089-Y1122 HydrophobicContact CG-CE1 3.85Å; R1089-D1124 IonicContact CZ-OD1 3.32Å; R1089-D1124 IonicContact CZ-OD2 3.65Å; R1089-D1124 VanDerWaalsContact NH1-CG 3.3Å; R1089-D1124 IonicContact NH1-OD1 3.11Å; R1089-D1124 PolarHBondContact NH1-OD1 2.9Å; R1089-D1124 VanDerWaalsContact NH1-OD1 3.11Å; R1089-D1124 IonicContact NH1-OD2 2.72Å; R1089-D1124 PolarHBondContact NH1-OD2 2.84Å; R1089-D1124 IonicContact NH2-OD1 2.73Å; R1089-D1124 PolarHBondContact NH2-OD1 3.06Å; R1089-D1124 IonicContact NH2-OD2 3.64Å; R1089-I1125 HydrophobicContact CB-CD1 4.4Å; R1089-I1125 HydrophobicContact CG-CD1 3.86Å
1090G88.4Confident85.3Confident5 Ų540.9 Ų40.95%0.05219%0.193CC..Hα-helixtrans-67.6-40.5173.600000113.1W1088 E1092 Y1094W1088-G1090 VanDerWaalsContact C-N 3.29Å; W1088-G1090 PolarHBondContact O-N 2.95Å; G1090-E1092 VanDerWaalsContact C-N 3.34Å; G1090-Y1094 WeakPolarHBondContact O-CD2 3.24Å; G1090-Y1094 PolarHBondContact O-N 2.98Å
1091A91.6Very high86.6Confident0 Ų041.5 Ų41.50%020%0.197CC..Hα-helixtrans-67.5-38.9176.800000111.1Y994 V995 W1088 H1095 L1242Y994-A1091 VanDerWaalsContact CB-N 3.32Å; V995-A1091 HydrophobicContact CG2-CB 3.74Å; W1088-A1091 WeakPolarHBondContact O-CB 3.19Å; W1088-A1091 PolarHBondContact O-N 2.85Å; A1091-H1095 WeakPolarHBondContact O-CB 3.22Å; A1091-H1095 PolarHBondContact O-N 2.92Å; A1091-L1242 HydrophobicContact CB-CD1 3.91Å
1092E91.8Very high87.8Confident31 Ų3143.6 Ų43.615%0.14520%0.202CC..Hα-helixtrans-62.4-46.5178.4-166.8-176.2-163.700111.8W1088 G1090 Y1094 H1095 Y1096 Y1122 H1227W1088-E1092 PolarHBondContact O-N 3.27Å; G1090-E1092 VanDerWaalsContact C-N 3.34Å; E1092-Y1094 PolarHBondContact O-N 2.88Å; E1092-H1095 WeakPolarHBondContact O-CB 3.39Å; E1092-H1095 PolarHBondContact O-N 3.04Å; E1092-H1095 VanDerWaalsContact O-N 3.13Å; E1092-Y1096 HydrophobicContact CG-CD2 3.91Å; E1092-Y1096 HydrophobicContact CG-CE2 3.29Å; E1092-Y1096 PolarHBondContact O-N 3.22Å; E1092-Y1096 VanDerWaalsContact OE1-CE2 3.27Å; E1092-Y1096 WeakPolarHBondContact OE1-CE2 3.44Å; E1092-Y1096 PolarHBondContact OE1-OH 2.86Å; E1092-Y1122 HydrophobicContact CB-CE1 4.33Å; E1092-Y1122 HydrophobicContact CG-CE1 4.35Å; E1092-Y1122 PolarHBondContact OE1-OH 2.87Å; E1092-Y1122 PolarHBondContact OE2-OH 2.99Å; E1092-H1227 VanDerWaalsContact CD-NE2 3.35Å; E1092-H1227 IonicContact OE1-CD2 3.57Å; E1092-H1227 IonicContact OE1-NE2 3.98Å; E1092-H1227 IonicContact OE2-NE2 3.72Å
1093A91.4Very high88.9Confident0 Ų036.5 Ų36.50%018%0.175CC..Hα-helixtrans-56.3-52178.500000113R1089 H1095 Y1096 I1097 Y1122 I1125 L1126R1089-A1093 PolarHBondContact O-N 3.2Å; R1089-A1093 VanDerWaalsContact O-N 3.14Å; A1093-H1095 VanDerWaalsContact C-N 3.3Å; A1093-H1095 PolarHBondContact O-N 2.9Å; A1093-Y1096 PolarHBondContact O-N 3Å; A1093-I1097 PolarHBondContact O-N 3.21Å; A1093-Y1122 HydrophobicContact CB-CD1 3.54Å; A1093-Y1122 HydrophobicContact CB-CE1 4.28Å; A1093-Y1122 HydrophobicContact CB-CG 3.77Å; A1093-I1125 HydrophobicContact CB-CB 4.38Å; A1093-I1125 HydrophobicContact CB-CD1 4.49Å; A1093-I1125 HydrophobicContact CB-CG2 4.04Å; A1093-L1126 HydrophobicContact CB-CD1 3.86Å; A1093-L1126 HydrophobicContact CB-CD2 4.42Å; A1093-L1126 HydrophobicContact CB-CG 4.02Å
1094Y92Very high89.8Confident28 Ų2837.1 Ų37.111%0.1118%0.178CC..Hα-helixtrans-69.9-29178-77.7-84.4000112.1P987 M990 Y994 G1090 E1092 I1097 M1098 I1125 L1126P987-Y1094 HydrophobicContact CB-CD1 4Å; M990-Y1094 HydrophobicContact CB-CD1 3.76Å; M990-Y1094 HydrophobicContact CB-CD2 3.92Å; M990-Y1094 HydrophobicContact CB-CE1 3.56Å; M990-Y1094 HydrophobicContact CB-CE2 3.76Å; M990-Y1094 HydrophobicContact CB-CG 3.93Å; M990-Y1094 HydrophobicContact CE-CE2 4.37Å; M990-Y1094 WeakPolarHBondContact CE-OH 3.46Å; M990-Y1094 HydrophobicContact CG-CD1 4.49Å; M990-Y1094 HydrophobicContact CG-CE1 3.86Å; M990-Y1094 HydrophobicContact CG-CE2 4.43Å; Y994-Y1094 HydrophobicContact CD2-CD2 4.14Å; Y994-Y1094 HydrophobicContact CD2-CE2 4.3Å; Y994-Y1094 HydrophobicContact CE2-CD2 4.1Å; Y994-Y1094 AromaticContact CE2-CE2 3.81Å; Y994-Y1094 HydrophobicContact CE2-CE2 3.81Å; G1090-Y1094 WeakPolarHBondContact O-CD2 3.24Å; G1090-Y1094 PolarHBondContact O-N 2.98Å; E1092-Y1094 PolarHBondContact O-N 2.88Å; Y1094-I1097 PolarHBondContact O-N 3.01Å; Y1094-M1098 VanDerWaalsContact O-CG 3.28Å; Y1094-M1098 WeakPolarHBondContact O-CG 3.45Å; Y1094-M1098 PolarHBondContact O-N 3.18Å; Y1094-I1125 HydrophobicContact CE2-CG2 4.27Å; Y1094-L1126 HydrophobicContact CD1-CD2 4.21Å; Y1094-L1126 HydrophobicContact CD2-CD2 4.22Å; Y1094-L1126 HydrophobicContact CE1-CD2 3.94Å; Y1094-L1126 HydrophobicContact CE2-CD2 3.93Å; Y1094-L1126 HydrophobicContact CG-CD2 4.35Å
1095H94.3Very high90.6Very high14 Ų1443.8 Ų43.87%0.06520%0.201CC..Hα-helixtrans-63.6-46.5174.2-178.632000112.3K991 A1091 E1092 A1093 M1098 L1099 V1208 L1242K991-H1095 HydrophobicContact CD-CB 4.03Å; K991-H1095 PolarHBondContact NZ-ND1 3.33Å; A1091-H1095 WeakPolarHBondContact O-CB 3.22Å; A1091-H1095 PolarHBondContact O-N 2.92Å; E1092-H1095 WeakPolarHBondContact O-CB 3.39Å; E1092-H1095 PolarHBondContact O-N 3.04Å; E1092-H1095 VanDerWaalsContact O-N 3.13Å; A1093-H1095 VanDerWaalsContact C-N 3.3Å; A1093-H1095 PolarHBondContact O-N 2.9Å; H1095-M1098 PolarHBondContact O-N 2.91Å; H1095-L1099 WeakPolarHBondContact O-CB 3.23Å; H1095-L1099 PolarHBondContact O-N 3.37Å; H1095-V1208 VanDerWaalsContact CD2-CG2 3.45Å; H1095-V1208 WeakPolarHBondContact CD2-CG2 3.5Å; H1095-V1208 WeakPolarHBondContact NE2-CG2 3.36Å; H1095-V1208 PolarHBondContact NE2-O 3.34Å; H1095-L1242 HydrophobicContact CB-CD1 3.82Å
1096Y93.8Very high91.3Very high1 Ų142.7 Ų42.70%0.00420%0.195CC..Hα-helixtrans-68.3-31.4178.4-66.6-41.8000112.8E1092 A1093 L1099 T1100 T1115 L1118 Y1122 I1206E1092-Y1096 HydrophobicContact CG-CD2 3.91Å; E1092-Y1096 HydrophobicContact CG-CE2 3.29Å; E1092-Y1096 PolarHBondContact O-N 3.22Å; E1092-Y1096 VanDerWaalsContact OE1-CE2 3.27Å; E1092-Y1096 WeakPolarHBondContact OE1-CE2 3.44Å; E1092-Y1096 PolarHBondContact OE1-OH 2.86Å; A1093-Y1096 PolarHBondContact O-N 3Å; Y1096-L1099 HydrophobicContact CD1-CD2 4.45Å; Y1096-L1099 PolarHBondContact O-N 2.98Å; Y1096-T1100 WeakPolarHBondContact O-CB 3.26Å; Y1096-T1100 PolarHBondContact O-N 3.03Å; Y1096-T1100 PolarHBondContact O-OG1 2.92Å; Y1096-T1115 HydrophobicContact CD1-CG2 4.22Å; Y1096-L1118 HydrophobicContact CD1-CD1 4.33Å; Y1096-L1118 HydrophobicContact CD2-CB 4.39Å; Y1096-L1118 HydrophobicContact CD2-CD1 4.45Å; Y1096-L1118 HydrophobicContact CE1-CD1 4.24Å; Y1096-L1118 HydrophobicContact CE2-CD1 4.33Å; Y1096-L1118 HydrophobicContact CG-CD1 4.47Å; Y1096-Y1122 AromaticContact CD2-CE2 3.96Å; Y1096-Y1122 HydrophobicContact CD2-CE2 3.96Å; Y1096-Y1122 HydrophobicContact CE2-CE2 4.21Å; Y1096-I1206 HydrophobicContact CE1-CG2 4.34Å
1097I92.2Very high91.6Very high8 Ų839.1 Ų39.14%0.04119%0.189CC..Hα-helixtrans-58.7-53.2168.3-78.6-178.3000110.1P987 A1093 Y1094 L1099 T1100 I1101 L1119 L1126 I1130P987-I1097 HydrophobicContact CB-CG2 4.49Å; A1093-I1097 PolarHBondContact O-N 3.21Å; Y1094-I1097 PolarHBondContact O-N 3.01Å; I1097-L1099 VanDerWaalsContact C-N 3.3Å; I1097-L1099 PolarHBondContact O-N 2.97Å; I1097-T1100 PolarHBondContact O-N 3.31Å; I1097-I1101 HydrophobicContact CG2-CD1 3.75Å; I1097-I1101 WeakPolarHBondContact O-CG1 3.41Å; I1097-I1101 PolarHBondContact O-N 3.48Å; I1097-L1119 HydrophobicContact CG1-CD1 3.69Å; I1097-L1119 HydrophobicContact CG1-CD2 3.89Å; I1097-L1119 HydrophobicContact CG1-CG 4.47Å; I1097-L1126 HydrophobicContact CD1-CD1 3.45Å; I1097-L1126 VanDerWaalsContact CD1-CD1 3.45Å; I1097-L1126 HydrophobicContact CD1-CD2 3.45Å; I1097-L1126 VanDerWaalsContact CD1-CD2 3.45Å; I1097-L1126 HydrophobicContact CD1-CG 3.95Å; I1097-L1126 HydrophobicContact CG1-CD1 3.81Å; I1097-I1130 HydrophobicContact CD1-CG2 4.41Å
1098M92.7Very high91.9Very high56 Ų5642.3 Ų42.328%0.27620%0.204SC..Hα-helixtrans-64.4-37.6-177.4-69.2176.765.800111.9P987 L988 K991 Y1094 H1095 I1101 K1102P987-M1098 HydrophobicContact CB-CG 3.96Å; P987-M1098 HydrophobicContact CB-SD 4.42Å; L988-M1098 HydrophobicContact CB-CE 3.89Å; L988-M1098 HydrophobicContact CB-SD 4.15Å; L988-M1098 HydrophobicContact CD1-CE 3.81Å; L988-M1098 HydrophobicContact CD1-SD 4.38Å; L988-M1098 HydrophobicContact CG-CE 4.36Å; K991-M1098 HydrophobicContact CB-SD 4.42Å; K991-M1098 HydrophobicContact CD-SD 4.05Å; Y1094-M1098 VanDerWaalsContact O-CG 3.28Å; Y1094-M1098 WeakPolarHBondContact O-CG 3.45Å; Y1094-M1098 PolarHBondContact O-N 3.18Å; H1095-M1098 PolarHBondContact O-N 2.91Å; M1098-I1101 PolarHBondContact O-N 2.9Å; M1098-K1102 WeakPolarHBondContact O-CB 3.09Å; M1098-K1102 PolarHBondContact O-N 2.86Å
1099L93.6Very high91.9Very high17 Ų1745 Ų459%0.08922%0.216CC..Hα-helixtrans-66.2-43.9177-175.659.6000111.1H1095 Y1096 I1097 I1101 K1102 Q1103 T1115 V1209H1095-L1099 WeakPolarHBondContact O-CB 3.23Å; H1095-L1099 PolarHBondContact O-N 3.37Å; Y1096-L1099 HydrophobicContact CD1-CD2 4.45Å; Y1096-L1099 PolarHBondContact O-N 2.98Å; I1097-L1099 VanDerWaalsContact C-N 3.3Å; I1097-L1099 PolarHBondContact O-N 2.97Å; L1099-I1101 PolarHBondContact O-N 2.96Å; L1099-K1102 PolarHBondContact O-N 2.82Å; L1099-Q1103 HydrophobicContact CD1-CG 4.32Å; L1099-Q1103 HydrophobicContact CG-CG 4.48Å; L1099-Q1103 WeakPolarHBondContact O-CB 3.41Å; L1099-Q1103 VanDerWaalsContact O-CG 3.23Å; L1099-Q1103 WeakPolarHBondContact O-CG 3.36Å; L1099-Q1103 PolarHBondContact O-N 3.18Å; L1099-T1115 HydrophobicContact CB-CG2 4.27Å; L1099-T1115 HydrophobicContact CD2-CG2 4Å; L1099-T1115 HydrophobicContact CG-CG2 4.14Å; L1099-V1209 WeakPolarHBondContact CD1-O 3.45Å
1100T93.9Very high91.9Very high0 Ų046.3 Ų46.30%023%0.228CC..Hα-helixtrans-58.3-48.7174.7-58.90000111.1Y1096 I1097 K1102 Q1103 L1104 A1112 T1115 V1116Y1096-T1100 WeakPolarHBondContact O-CB 3.26Å; Y1096-T1100 PolarHBondContact O-N 3.03Å; Y1096-T1100 PolarHBondContact O-OG1 2.92Å; I1097-T1100 PolarHBondContact O-N 3.31Å; T1100-K1102 PolarHBondContact O-N 3.39Å; T1100-Q1103 PolarHBondContact O-N 3.4Å; T1100-L1104 HydrophobicContact CG2-CD1 4.33Å; T1100-L1104 PolarHBondContact O-N 3.32Å; T1100-A1112 HydrophobicContact CG2-CB 4.4Å; T1100-T1115 WeakPolarHBondContact OG1-CG2 3.5Å; T1100-V1116 HydrophobicContact CG2-CB 3.65Å; T1100-V1116 HydrophobicContact CG2-CG2 3.82Å
1101I91Very high91.9Very high58 Ų5851 Ų5130%0.29725%0.245SC..Hα-helixtrans-61.9-44.6178.7-67.1169000110.5I1097 M1098 L1099 Q1103 L1104 Y1105 L1134I1097-I1101 HydrophobicContact CG2-CD1 3.75Å; I1097-I1101 WeakPolarHBondContact O-CG1 3.41Å; I1097-I1101 PolarHBondContact O-N 3.48Å; M1098-I1101 PolarHBondContact O-N 2.9Å; L1099-I1101 PolarHBondContact O-N 2.96Å; I1101-Q1103 VanDerWaalsContact C-N 3.35Å; I1101-Q1103 PolarHBondContact O-N 3.18Å; I1101-L1104 WeakPolarHBondContact O-CB 3.42Å; I1101-L1104 PolarHBondContact O-N 3.01Å; I1101-Y1105 HydrophobicContact CG2-CD2 3.67Å; I1101-Y1105 HydrophobicContact CG2-CE2 3.59Å; I1101-Y1105 VanDerWaalsContact O-CD2 3.26Å; I1101-Y1105 WeakPolarHBondContact O-CD2 3.35Å; I1101-Y1105 PolarHBondContact O-N 3.42Å; I1101-L1134 HydrophobicContact CG1-CD2 4.32Å
1102K92.8Very high91.9Very high130 Ų13051 Ų5157%0.56525%0.245SC*.Hα-helixtrans-61.9-41.3176.9-172.4178.4-178.9-178.30112.1M1098 L1099 T1100 Y1105 N1106M1098-K1102 WeakPolarHBondContact O-CB 3.09Å; M1098-K1102 PolarHBondContact O-N 2.86Å; L1099-K1102 PolarHBondContact O-N 2.82Å; T1100-K1102 PolarHBondContact O-N 3.39Å; K1102-Y1105 PolarHBondContact O-N 3.35Å; K1102-N1106 WeakPolarHBondContact O-CB 3.47Å; K1102-N1106 VanDerWaalsContact O-CG 3.32Å; K1102-N1106 PolarHBondContact O-N 3.24Å
1103Q94.2Very high91.9Very high10 Ų1050.2 Ų50.25%0.04724%0.241CC..Hα-helixtrans-66-39.8177.2-72.8169.2-12.400111.9L1099 T1100 I1101 N1106 G1107 L1108 Y1111 A1112 T1115 T1210L1099-Q1103 HydrophobicContact CD1-CG 4.32Å; L1099-Q1103 HydrophobicContact CG-CG 4.48Å; L1099-Q1103 WeakPolarHBondContact O-CB 3.41Å; L1099-Q1103 VanDerWaalsContact O-CG 3.23Å; L1099-Q1103 WeakPolarHBondContact O-CG 3.36Å; L1099-Q1103 PolarHBondContact O-N 3.18Å; T1100-Q1103 PolarHBondContact O-N 3.4Å; I1101-Q1103 VanDerWaalsContact C-N 3.35Å; I1101-Q1103 PolarHBondContact O-N 3.18Å; Q1103-N1106 PolarHBondContact O-N 3.32Å; Q1103-G1107 PolarHBondContact O-N 3.12Å; Q1103-L1108 HydrophobicContact CB-CB 4.4Å; Q1103-L1108 PolarHBondContact O-N 3.09Å; Q1103-Y1111 VanDerWaalsContact OE1-C 3.23Å; Q1103-Y1111 PolarHBondContact OE1-O 3.24Å; Q1103-A1112 HydrophobicContact CB-CB 3.73Å; Q1103-A1112 VanDerWaalsContact OE1-CA 3.29Å; Q1103-T1115 PolarHBondContact NE2-OG1 2.77Å; Q1103-T1115 PolarHBondContact OE1-OG1 3.08Å; Q1103-T1210 PolarHBondContact NE2-O 2.91Å
1104L91.9Very high91.8Very high24 Ų2451.3 Ų51.313%0.12625%0.245CC..Hα-helixtrans-58.6-50.3172.2-90.1162.4000111.7T1100 I1101 N1106 G1107 F1109 A1112 L1134 L1137 Y1141T1100-L1104 HydrophobicContact CG2-CD1 4.33Å; T1100-L1104 PolarHBondContact O-N 3.32Å; I1101-L1104 WeakPolarHBondContact O-CB 3.42Å; I1101-L1104 PolarHBondContact O-N 3.01Å; L1104-N1106 VanDerWaalsContact C-N 3.3Å; L1104-N1106 PolarHBondContact O-N 2.84Å; L1104-G1107 PolarHBondContact O-N 3.45Å; L1104-G1107 VanDerWaalsContact O-N 3.12Å; L1104-F1109 HydrophobicContact CD2-CD1 4.29Å; L1104-A1112 HydrophobicContact CG-CB 3.9Å; L1104-L1134 HydrophobicContact CD1-CD2 4.37Å; L1104-L1137 HydrophobicContact CD1-CD2 4.17Å; L1104-Y1141 HydrophobicContact CD2-CD2 3.78Å; L1104-Y1141 HydrophobicContact CD2-CE2 4.25Å
1105Y91.4Very high91.7Very high200 Ų20050 Ų5078%0.78424%0.24SC*.Hα-helixtrans-65.3-31.4179.4-83.2-70.2000113.3I1101 K1102 G1107I1101-Y1105 HydrophobicContact CG2-CD2 3.67Å; I1101-Y1105 HydrophobicContact CG2-CE2 3.59Å; I1101-Y1105 VanDerWaalsContact O-CD2 3.26Å; I1101-Y1105 WeakPolarHBondContact O-CD2 3.35Å; I1101-Y1105 PolarHBondContact O-N 3.42Å; K1102-Y1105 PolarHBondContact O-N 3.35Å; Y1105-G1107 PolarHBondContact O-N 3.04Å
1106N92.2Very high91.6Very high106 Ų10649.3 Ų49.357%0.56724%0.237SC*.THydrogen-bonded Turntrans-79.81.8176-73-4.3000113.6K1102 Q1103 L1104 L1108K1102-N1106 WeakPolarHBondContact O-CB 3.47Å; K1102-N1106 VanDerWaalsContact O-CG 3.32Å; K1102-N1106 PolarHBondContact O-N 3.24Å; Q1103-N1106 PolarHBondContact O-N 3.32Å; L1104-N1106 VanDerWaalsContact C-N 3.3Å; L1104-N1106 PolarHBondContact O-N 2.84Å; N1106-L1108 VanDerWaalsContact C-N 3.26Å; N1106-L1108 HydrophobicContact CB-CD1 4.33Å; N1106-L1108 HydrophobicContact CB-CG 4.32Å; N1106-L1108 PolarHBondContact O-N 2.71Å
1107G89.1Confident91.4Very high37 Ų3750.9 Ų50.938%0.38124%0.244SC..THydrogen-bonded Turntrans73.412-178.700000114.7Q1103 L1104 Y1105 F1109Q1103-G1107 PolarHBondContact O-N 3.12Å; L1104-G1107 PolarHBondContact O-N 3.45Å; L1104-G1107 VanDerWaalsContact O-N 3.12Å; Y1105-G1107 PolarHBondContact O-N 3.04Å; G1107-F1109 WeakPolarHBondContact O-CD2 3.27Å; G1107-F1109 PolarHBondContact O-N 3.21Å
1108L91.4Very high91.2Very high83 Ų8351.2 Ų51.244%0.43525%0.246SC..  trans-86.560.5179.1-61.8172.4000110.3Q1103 N1106 N1110 Y1111 A1112Q1103-L1108 HydrophobicContact CB-CB 4.4Å; Q1103-L1108 PolarHBondContact O-N 3.09Å; N1106-L1108 VanDerWaalsContact C-N 3.26Å; N1106-L1108 HydrophobicContact CB-CD1 4.33Å; N1106-L1108 HydrophobicContact CB-CG 4.32Å; N1106-L1108 PolarHBondContact O-N 2.71Å; L1108-N1110 PolarHBondContact O-N 3.41Å; L1108-Y1111 PolarHBondContact O-N 3.09Å; L1108-Y1111 VanDerWaalsContact O-N 3.09Å; L1108-A1112 PolarHBondContact O-N 3.09Å
1109F90.6Very high91.1Very high73 Ų7348.5 Ų48.532%0.3223%0.233SC..Hα-helixtrans-59.3-40.3-168.3-53.4-56.8000113.8L1104 G1107 Y1111 A1112 F1113 Y1141 T1142L1104-F1109 HydrophobicContact CD2-CD1 4.29Å; G1107-F1109 WeakPolarHBondContact O-CD2 3.27Å; G1107-F1109 PolarHBondContact O-N 3.21Å; F1109-Y1111 PolarHBondContact O-N 2.58Å; F1109-A1112 PolarHBondContact O-N 3.15Å; F1109-F1113 WeakPolarHBondContact O-CB 3.27Å; F1109-F1113 PolarHBondContact O-N 3.47Å; F1109-Y1141 HydrophobicContact CD1-CD1 4.34Å; F1109-Y1141 AromaticContact CD1-CG 4Å; F1109-Y1141 HydrophobicContact CD1-CG 4Å; F1109-Y1141 AromaticContact CE1-CD1 3.94Å; F1109-Y1141 HydrophobicContact CE1-CD1 3.94Å; F1109-Y1141 HydrophobicContact CE1-CG 4.01Å; F1109-Y1141 HydrophobicContact CZ-CD1 4.21Å; F1109-T1142 VanDerWaalsContact C-CG2 3.47Å; F1109-T1142 HydrophobicContact CB-CG2 3.75Å; F1109-T1142 WeakPolarHBondContact O-CG2 3.39Å
1110N89Confident90.8Very high92 Ų9252 Ų5249%0.49225%0.247SC..Hα-helixtrans-65.4-38.3177.1-70.8-25.9000112.4L1108 F1113 R1114 T1142L1108-N1110 PolarHBondContact O-N 3.41Å; N1110-F1113 PolarHBondContact O-N 3.09Å; N1110-R1114 WeakPolarHBondContact O-CG 3.34Å; N1110-R1114 PolarHBondContact O-N 3.23Å; N1110-R1114 VanDerWaalsContact O-N 3.13Å; N1110-T1142 WeakPolarHBondContact OD1-CG2 3.45Å
1111Y89.6Confident90.5Very high102 Ų10257.8 Ų57.840%0.428%0.278SS..Hα-helixtrans-67.7-44.9176.4-79-119.9000110.1Q1103 L1108 F1109 F1113 R1114 T1115 Q1212Q1103-Y1111 VanDerWaalsContact OE1-C 3.23Å; Q1103-Y1111 PolarHBondContact OE1-O 3.24Å; L1108-Y1111 PolarHBondContact O-N 3.09Å; L1108-Y1111 VanDerWaalsContact O-N 3.09Å; F1109-Y1111 PolarHBondContact O-N 2.58Å; Y1111-F1113 VanDerWaalsContact C-N 3.33Å; Y1111-F1113 PolarHBondContact O-N 3.16Å; Y1111-R1114 PolarHBondContact O-N 3.33Å; Y1111-T1115 PolarHBondContact O-N 3.24Å; Y1111-T1115 PolarHBondContact O-OG1 2.96Å; Y1111-Q1212 HydrophobicContact CD1-CG 3.91Å; Y1111-Q1212 HydrophobicContact CE1-CG 3.89Å; Y1111-Q1212 PolarHBondContact O-NE2 3.36Å
1112A91.1Very high90.4Very high0 Ų056 Ų560%027%0.268CS..Hα-helixtrans-59.3-44.7176.200000111.7T1100 Q1103 L1104 L1108 F1109 R1114 T1115 V1116T1100-A1112 HydrophobicContact CG2-CB 4.4Å; Q1103-A1112 HydrophobicContact CB-CB 3.73Å; Q1103-A1112 VanDerWaalsContact OE1-CA 3.29Å; L1104-A1112 HydrophobicContact CG-CB 3.9Å; L1108-A1112 PolarHBondContact O-N 3.09Å; F1109-A1112 PolarHBondContact O-N 3.15Å; A1112-R1114 VanDerWaalsContact C-N 3.29Å; A1112-R1114 PolarHBondContact O-N 2.83Å; A1112-T1115 PolarHBondContact O-N 2.85Å; A1112-V1116 WeakPolarHBondContact O-CB 3.31Å; A1112-V1116 WeakPolarHBondContact O-CG1 3.47Å; A1112-V1116 PolarHBondContact O-N 3.19Å
1113F91.7Very high90Very high15 Ų1551.4 Ų51.47%0.06626%0.258CS..Hα-helixtrans-62.7-33.6178.5-177.3-107.1000112.9F1109 N1110 Y1111 V1116 Q1117 C1138 A1139 T1142 N1144 A1147F1109-F1113 WeakPolarHBondContact O-CB 3.27Å; F1109-F1113 PolarHBondContact O-N 3.47Å; N1110-F1113 PolarHBondContact O-N 3.09Å; Y1111-F1113 VanDerWaalsContact C-N 3.33Å; Y1111-F1113 PolarHBondContact O-N 3.16Å; F1113-V1116 VanDerWaalsContact O-CG1 3.29Å; F1113-V1116 WeakPolarHBondContact O-CG1 3.46Å; F1113-Q1117 VanDerWaalsContact CE2-NE2 3.34Å; F1113-Q1117 VanDerWaalsContact CZ-NE2 3.29Å; F1113-Q1117 WeakPolarHBondContact O-CG 3.46Å; F1113-C1138 HydrophobicContact CB-CB 4.04Å; F1113-C1138 HydrophobicContact CD2-CB 3.89Å; F1113-C1138 HydrophobicContact CG-CB 4.48Å; F1113-A1139 HydrophobicContact CD2-CB 4.24Å; F1113-A1139 HydrophobicContact CE2-CB 3.77Å; F1113-T1142 HydrophobicContact CB-CG2 3.81Å; F1113-T1142 HydrophobicContact CG-CG2 4.37Å; F1113-N1144 HydrophobicContact CZ-CB 4.47Å; F1113-A1147 HydrophobicContact CE2-CB 3.84Å; F1113-A1147 HydrophobicContact CZ-CB 3.52Å
1114R90Very high89.4Confident24 Ų2455 Ų559%0.09128%0.277CS..Hα-helixtrans-76.3-47.4175.1-72.8175-179.6163.2-2.7112.5N1110 Y1111 A1112 V1116 Q1117 S1191 M1194 D1195 L1198N1110-R1114 WeakPolarHBondContact O-CG 3.34Å; N1110-R1114 PolarHBondContact O-N 3.23Å; N1110-R1114 VanDerWaalsContact O-N 3.13Å; Y1111-R1114 PolarHBondContact O-N 3.33Å; A1112-R1114 VanDerWaalsContact C-N 3.29Å; A1112-R1114 PolarHBondContact O-N 2.83Å; R1114-V1116 PolarHBondContact O-N 2.87Å; R1114-Q1117 WeakPolarHBondContact O-CB 3.48Å; R1114-Q1117 PolarHBondContact O-N 2.77Å; R1114-Q1117 VanDerWaalsContact O-N 3.08Å; R1114-S1191 PolarHBondContact NH2-O 2.88Å; R1114-M1194 VanDerWaalsContact CZ-CB 3.48Å; R1114-M1194 PolarHBondContact NH1-SD 2.94Å; R1114-D1195 IonicContact CZ-OD1 3.85Å; R1114-D1195 IonicContact NE-OD1 2.56Å; R1114-D1195 PolarHBondContact NE-OD1 2.88Å; R1114-D1195 IonicContact NH2-OD1 2.8Å; R1114-D1195 PolarHBondContact NH2-OD1 2.95Å; R1114-L1198 HydrophobicContact CB-CD1 3.71Å; R1114-L1198 HydrophobicContact CG-CD1 3.76Å
1115T90.5Very high89.1Confident0 Ų054.8 Ų54.80%028%0.276CS..Hα-helixtrans-59.6-37.1178-520000111.5Y1096 L1099 T1100 Q1103 Y1111 A1112 Q1117 L1118 T1210Y1096-T1115 HydrophobicContact CD1-CG2 4.22Å; L1099-T1115 HydrophobicContact CB-CG2 4.27Å; L1099-T1115 HydrophobicContact CD2-CG2 4Å; L1099-T1115 HydrophobicContact CG-CG2 4.14Å; T1100-T1115 WeakPolarHBondContact OG1-CG2 3.5Å; Q1103-T1115 PolarHBondContact NE2-OG1 2.77Å; Q1103-T1115 PolarHBondContact OE1-OG1 3.08Å; Y1111-T1115 PolarHBondContact O-N 3.24Å; Y1111-T1115 PolarHBondContact O-OG1 2.96Å; A1112-T1115 PolarHBondContact O-N 2.85Å; T1115-Q1117 VanDerWaalsContact C-N 3.3Å; T1115-Q1117 PolarHBondContact O-N 2.98Å; T1115-L1118 VanDerWaalsContact O-CB 3.31Å; T1115-L1118 WeakPolarHBondContact O-CB 3.48Å; T1115-L1118 PolarHBondContact O-N 2.9Å; T1115-T1210 PolarHBondContact OG1-O 3.5Å
1116V91Very high88.8Confident0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-70.3-23.6179.281.90000112.9T1100 A1112 F1113 R1114 L1118 L1119 L1134 I1135 C1138T1100-V1116 HydrophobicContact CG2-CB 3.65Å; T1100-V1116 HydrophobicContact CG2-CG2 3.82Å; A1112-V1116 WeakPolarHBondContact O-CB 3.31Å; A1112-V1116 WeakPolarHBondContact O-CG1 3.47Å; A1112-V1116 PolarHBondContact O-N 3.19Å; F1113-V1116 VanDerWaalsContact O-CG1 3.29Å; F1113-V1116 WeakPolarHBondContact O-CG1 3.46Å; R1114-V1116 PolarHBondContact O-N 2.87Å; V1116-L1118 VanDerWaalsContact C-N 3.25Å; V1116-L1118 PolarHBondContact O-N 2.79Å; V1116-L1119 HydrophobicContact CG2-CD1 3.83Å; V1116-L1119 WeakPolarHBondContact O-CB 2.73Å; V1116-L1119 PolarHBondContact O-N 3.28Å; V1116-L1134 HydrophobicContact CG2-CB 3.57Å; V1116-I1135 HydrophobicContact CB-CG1 4.42Å; V1116-I1135 HydrophobicContact CG1-CB 4.4Å; V1116-I1135 HydrophobicContact CG1-CG1 3.87Å; V1116-I1135 HydrophobicContact CG2-CG1 3.87Å; V1116-C1138 HydrophobicContact CG1-CB 4.07Å
1117Q88.9Confident88.4Confident33 Ų3344.5 Ų44.515%0.15423%0.234CC..Hα-helixtrans-63.7-34.1174.2-62.1-54.7-37.700111.6F1113 R1114 T1115 L1119 K1120F1113-Q1117 VanDerWaalsContact CE2-NE2 3.34Å; F1113-Q1117 VanDerWaalsContact CZ-NE2 3.29Å; F1113-Q1117 WeakPolarHBondContact O-CG 3.46Å; R1114-Q1117 WeakPolarHBondContact O-CB 3.48Å; R1114-Q1117 PolarHBondContact O-N 2.77Å; R1114-Q1117 VanDerWaalsContact O-N 3.08Å; T1115-Q1117 VanDerWaalsContact C-N 3.3Å; T1115-Q1117 PolarHBondContact O-N 2.98Å; Q1117-L1119 PolarHBondContact O-N 2.88Å; Q1117-K1120 WeakPolarHBondContact O-CB 3.3Å; Q1117-K1120 WeakPolarHBondContact O-CG 3.47Å; Q1117-K1120 PolarHBondContact O-N 2.89Å; Q1117-K1120 VanDerWaalsContact O-N 3.17Å
1118L88.8Confident88.4Confident15 Ų1544.8 Ų44.88%0.07923%0.23CC..Hα-helixtrans-60.5-29.5177.7-57.8175.1000112.2Y1096 T1115 V1116 K1120 D1121 Y1122 L1198 I1206Y1096-L1118 HydrophobicContact CD1-CD1 4.33Å; Y1096-L1118 HydrophobicContact CD2-CB 4.39Å; Y1096-L1118 HydrophobicContact CD2-CD1 4.45Å; Y1096-L1118 HydrophobicContact CE1-CD1 4.24Å; Y1096-L1118 HydrophobicContact CE2-CD1 4.33Å; Y1096-L1118 HydrophobicContact CG-CD1 4.47Å; T1115-L1118 VanDerWaalsContact O-CB 3.31Å; T1115-L1118 WeakPolarHBondContact O-CB 3.48Å; T1115-L1118 PolarHBondContact O-N 2.9Å; V1116-L1118 VanDerWaalsContact C-N 3.25Å; V1116-L1118 PolarHBondContact O-N 2.79Å; L1118-K1120 PolarHBondContact O-N 3.43Å; L1118-K1120 VanDerWaalsContact O-N 3.12Å; L1118-D1121 PolarHBondContact O-N 3.49Å; L1118-Y1122 VanDerWaalsContact O-CD2 3.23Å; L1118-Y1122 WeakPolarHBondContact O-CD2 3.42Å; L1118-Y1122 VanDerWaalsContact O-CE2 3.32Å; L1118-Y1122 WeakPolarHBondContact O-CE2 3.45Å; L1118-L1198 HydrophobicContact CD2-CD2 3.41Å; L1118-L1198 VanDerWaalsContact CD2-CD2 3.41Å; L1118-L1198 HydrophobicContact CG-CD2 4.08Å; L1118-I1206 HydrophobicContact CD1-CD1 3.95Å; L1118-I1206 HydrophobicContact CD1-CG1 4.49Å; L1118-I1206 HydrophobicContact CD1-CG2 3.68Å; L1118-I1206 HydrophobicContact CD2-CD1 3.35Å; L1118-I1206 HydrophobicContact CD2-CG1 4.2Å; L1118-I1206 HydrophobicContact CG-CD1 4.24Å
1119L90.6Very high88.2Confident0 Ų042.6 Ų42.60%022%0.218CC..G310 helixtrans-64-17.8-179.5-64-179000113.3I1097 V1116 Q1117 D1121 Y1122 L1126 I1131 L1134I1097-L1119 HydrophobicContact CG1-CD1 3.69Å; I1097-L1119 HydrophobicContact CG1-CD2 3.89Å; I1097-L1119 HydrophobicContact CG1-CG 4.47Å; V1116-L1119 HydrophobicContact CG2-CD1 3.83Å; V1116-L1119 WeakPolarHBondContact O-CB 2.73Å; V1116-L1119 PolarHBondContact O-N 3.28Å; Q1117-L1119 PolarHBondContact O-N 2.88Å; L1119-D1121 PolarHBondContact O-N 3.11Å; L1119-Y1122 PolarHBondContact O-N 3.2Å; L1119-Y1122 VanDerWaalsContact O-N 3.15Å; L1119-L1126 HydrophobicContact CD2-CD1 3.84Å; L1119-I1131 HydrophobicContact CB-CG1 4.25Å; L1119-I1131 HydrophobicContact CB-CG2 3.91Å; L1119-I1131 WeakPolarHBondContact O-CD1 3.24Å; L1119-L1134 HydrophobicContact CD1-CD1 4.4Å
1120K87.9Confident88.1Confident89 Ų8943.1 Ų43.139%0.38722%0.223SC..G310 helixtrans-58.8-31.3175.8-68.7178.5-175.8168.30112.7Q1117 L1118 Y1122 I1135Q1117-K1120 WeakPolarHBondContact O-CB 3.3Å; Q1117-K1120 WeakPolarHBondContact O-CG 3.47Å; Q1117-K1120 PolarHBondContact O-N 2.89Å; Q1117-K1120 VanDerWaalsContact O-N 3.17Å; L1118-K1120 PolarHBondContact O-N 3.43Å; L1118-K1120 VanDerWaalsContact O-N 3.12Å; K1120-Y1122 VanDerWaalsContact C-N 3.28Å; K1120-Y1122 PolarHBondContact O-N 2.88Å; K1120-I1135 HydrophobicContact CG-CD1 3.94Å
1121D87Confident88.2Confident123 Ų12338.9 Ų38.966%0.65820%0.201SC*.G310 helixtrans-81.1-6.1-178.4-69.2-12000113.8R1089 L1118 L1119R1089-D1121 PolarHBondContact NH2-O 2.89Å; L1118-D1121 PolarHBondContact O-N 3.49Å; L1119-D1121 PolarHBondContact O-N 3.11Å
1122Y89.7Confident88.4Confident19 Ų1935.8 Ų35.88%0.07519%0.189CC..G310 helixtrans-110.921.6-178-56.9-88.6000112.5R1089 E1092 A1093 Y1096 L1118 L1119 K1120 D1124 I1125 L1126R1089-Y1122 HydrophobicContact CG-CD1 4.09Å; R1089-Y1122 HydrophobicContact CG-CE1 3.85Å; E1092-Y1122 HydrophobicContact CB-CE1 4.33Å; E1092-Y1122 HydrophobicContact CG-CE1 4.35Å; E1092-Y1122 PolarHBondContact OE1-OH 2.87Å; E1092-Y1122 PolarHBondContact OE2-OH 2.99Å; A1093-Y1122 HydrophobicContact CB-CD1 3.54Å; A1093-Y1122 HydrophobicContact CB-CE1 4.28Å; A1093-Y1122 HydrophobicContact CB-CG 3.77Å; Y1096-Y1122 AromaticContact CD2-CE2 3.96Å; Y1096-Y1122 HydrophobicContact CD2-CE2 3.96Å; Y1096-Y1122 HydrophobicContact CE2-CE2 4.21Å; L1118-Y1122 VanDerWaalsContact O-CD2 3.23Å; L1118-Y1122 WeakPolarHBondContact O-CD2 3.42Å; L1118-Y1122 VanDerWaalsContact O-CE2 3.32Å; L1118-Y1122 WeakPolarHBondContact O-CE2 3.45Å; L1119-Y1122 PolarHBondContact O-N 3.2Å; L1119-Y1122 VanDerWaalsContact O-N 3.15Å; K1120-Y1122 VanDerWaalsContact C-N 3.28Å; K1120-Y1122 PolarHBondContact O-N 2.88Å; Y1122-D1124 PolarHBondContact O-N 2.93Å; Y1122-I1125 HydrophobicContact CD1-CD1 4.46Å; Y1122-I1125 PolarHBondContact O-N 3.5Å; Y1122-L1126 PolarHBondContact O-N 2.8Å
1123G82.9Confident88.3Confident34 Ų3438.2 Ų38.235%0.35121%0.206SC..THydrogen-bonded Turntrans-63.2-15.7179.500000115.2
1124D83.2Confident88.3Confident85 Ų8538.5 Ų38.546%0.45521%0.208SC..THydrogen-bonded Turntrans-84.4-13171.167.2-43.8000113.1R1089 Y1122R1089-D1124 IonicContact CZ-OD1 3.32Å; R1089-D1124 IonicContact CZ-OD2 3.65Å; R1089-D1124 VanDerWaalsContact NH1-CG 3.3Å; R1089-D1124 IonicContact NH1-OD1 3.11Å; R1089-D1124 PolarHBondContact NH1-OD1 2.9Å; R1089-D1124 VanDerWaalsContact NH1-OD1 3.11Å; R1089-D1124 IonicContact NH1-OD2 2.72Å; R1089-D1124 PolarHBondContact NH1-OD2 2.84Å; R1089-D1124 IonicContact NH2-OD1 2.73Å; R1089-D1124 PolarHBondContact NH2-OD1 3.06Å; R1089-D1124 IonicContact NH2-OD2 3.64Å; Y1122-D1124 PolarHBondContact O-N 2.93Å
1125I84.4Confident88.4Confident20 Ų2037.7 Ų37.710%0.10321%0.205CC..THydrogen-bonded Turntrans-107.8-40.6177.8-58.9176.4000111.2K980 R1089 A1093 Y1094 Y1122K980-I1125 WeakPolarHBondContact CE-O 3.4Å; K980-I1125 PolarHBondContact NZ-O 2.69Å; R1089-I1125 HydrophobicContact CB-CD1 4.4Å; R1089-I1125 HydrophobicContact CG-CD1 3.86Å; A1093-I1125 HydrophobicContact CB-CB 4.38Å; A1093-I1125 HydrophobicContact CB-CD1 4.49Å; A1093-I1125 HydrophobicContact CB-CG2 4.04Å; Y1094-I1125 HydrophobicContact CE2-CG2 4.27Å; Y1122-I1125 HydrophobicContact CD1-CD1 4.46Å; Y1122-I1125 PolarHBondContact O-N 3.5Å
1126L86.1Confident88.4Confident8 Ų837.9 Ų37.94%0.04221%0.207CC..SBendtrans-108.5145.6-174.5-61.9171.1000110.7A1093 Y1094 I1097 L1119 Y1122 P1128 I1131A1093-L1126 HydrophobicContact CB-CD1 3.86Å; A1093-L1126 HydrophobicContact CB-CD2 4.42Å; A1093-L1126 HydrophobicContact CB-CG 4.02Å; Y1094-L1126 HydrophobicContact CD1-CD2 4.21Å; Y1094-L1126 HydrophobicContact CD2-CD2 4.22Å; Y1094-L1126 HydrophobicContact CE1-CD2 3.94Å; Y1094-L1126 HydrophobicContact CE2-CD2 3.93Å; Y1094-L1126 HydrophobicContact CG-CD2 4.35Å; I1097-L1126 HydrophobicContact CD1-CD1 3.45Å; I1097-L1126 VanDerWaalsContact CD1-CD1 3.45Å; I1097-L1126 HydrophobicContact CD1-CD2 3.45Å; I1097-L1126 VanDerWaalsContact CD1-CD2 3.45Å; I1097-L1126 HydrophobicContact CD1-CG 3.95Å; I1097-L1126 HydrophobicContact CG1-CD1 3.81Å; L1119-L1126 HydrophobicContact CD2-CD1 3.84Å; Y1122-L1126 PolarHBondContact O-N 2.8Å; L1126-P1128 WeakPolarHBondContact O-CD 3.44Å; L1126-I1131 HydrophobicContact CB-CD1 3.95Å; L1126-I1131 HydrophobicContact CB-CG1 4.11Å
1127N84Confident88.5Confident82 Ų8241.4 Ų41.444%0.43923%0.225SC..  trans-62.2122.8178.1-174.3-27.4000109.7L1129 I1130 I1131N1127-L1129 PolarHBondContact O-N 3.19Å; N1127-L1129 VanDerWaalsContact O-N 3.11Å; N1127-L1129 VanDerWaalsContact OD1-CB 3.3Å; N1127-L1129 WeakPolarHBondContact OD1-CB 3.25Å; N1127-L1129 PolarHBondContact OD1-N 3.2Å; N1127-I1130 HydrophobicContact CB-CD1 4.17Å; N1127-I1130 HydrophobicContact CB-CG1 4.28Å; N1127-I1130 PolarHBondContact O-N 2.86Å; N1127-I1131 PolarHBondContact O-N 3.22Å
1128P87.3Confident88.6Confident43 Ų4339.8 Ų39.828%0.27922%0.218SC..Hα-helixtrans-51.3-33.4177.6-29.136.2000114L1126 I1130 I1131 Y1132 L1158L1126-P1128 WeakPolarHBondContact O-CD 3.44Å; P1128-I1130 PolarHBondContact O-N 3.44Å; P1128-I1131 PolarHBondContact O-N 3.13Å; P1128-Y1132 HydrophobicContact CB-CD2 4.29Å; P1128-Y1132 HydrophobicContact CB-CE2 4.21Å; P1128-Y1132 WeakPolarHBondContact O-CD2 3.02Å; P1128-Y1132 PolarHBondContact O-N 3.32Å; P1128-L1158 HydrophobicContact CB-CD2 3.69Å
1129L88.2Confident88.7Confident38 Ų3839.1 Ų39.120%0.19921%0.214CC..Hα-helixtrans-55.7-49175.2-174.670.6000111.5N1127 S1133 L1155 L1158 I1161N1127-L1129 PolarHBondContact O-N 3.19Å; N1127-L1129 VanDerWaalsContact O-N 3.11Å; N1127-L1129 VanDerWaalsContact OD1-CB 3.3Å; N1127-L1129 WeakPolarHBondContact OD1-CB 3.25Å; N1127-L1129 PolarHBondContact OD1-N 3.2Å; L1129-S1133 WeakPolarHBondContact O-CB 3.42Å; L1129-S1133 PolarHBondContact O-N 2.78Å; L1129-S1133 PolarHBondContact O-OG 3.11Å; L1129-L1155 HydrophobicContact CD1-CD2 3.78Å; L1129-L1158 HydrophobicContact CB-CD1 3.98Å; L1129-L1158 HydrophobicContact CD1-CD1 3.71Å; L1129-L1158 HydrophobicContact CG-CD1 4.49Å; L1129-I1161 HydrophobicContact CD1-CD1 4.2Å; L1129-I1161 HydrophobicContact CD1-CG2 3.62Å; L1129-I1161 HydrophobicContact CD2-CG2 3.68Å; L1129-I1161 HydrophobicContact CG-CG2 4.26Å
1130I88.9Confident88.6Confident83 Ų8341.4 Ų41.443%0.42623%0.226SC..Hα-helixtrans-64.6-43.8-179.9-61.2174.4000110.5I1097 N1127 P1128 S1133 L1134I1097-I1130 HydrophobicContact CD1-CG2 4.41Å; N1127-I1130 HydrophobicContact CB-CD1 4.17Å; N1127-I1130 HydrophobicContact CB-CG1 4.28Å; N1127-I1130 PolarHBondContact O-N 2.86Å; P1128-I1130 PolarHBondContact O-N 3.44Å; I1130-S1133 PolarHBondContact O-N 2.97Å; I1130-L1134 HydrophobicContact CG2-CD1 3.98Å; I1130-L1134 WeakPolarHBondContact O-CB 3.49Å; I1130-L1134 WeakPolarHBondContact O-CG 3.29Å; I1130-L1134 PolarHBondContact O-N 2.74Å
1131I91.1Very high88.6Confident3 Ų343.2 Ų43.22%0.01523%0.231CC..Hα-helixtrans-58.4-56.6179.8-62167.2000110L1119 L1126 N1127 P1128 S1133 L1134 I1135L1119-I1131 HydrophobicContact CB-CG1 4.25Å; L1119-I1131 HydrophobicContact CB-CG2 3.91Å; L1119-I1131 WeakPolarHBondContact O-CD1 3.24Å; L1126-I1131 HydrophobicContact CB-CD1 3.95Å; L1126-I1131 HydrophobicContact CB-CG1 4.11Å; N1127-I1131 PolarHBondContact O-N 3.22Å; P1128-I1131 PolarHBondContact O-N 3.13Å; I1131-S1133 VanDerWaalsContact C-N 3.33Å; I1131-S1133 PolarHBondContact O-N 3.22Å; I1131-L1134 PolarHBondContact O-N 2.89Å; I1131-I1135 HydrophobicContact CG2-CD1 3.8Å; I1131-I1135 VanDerWaalsContact O-CG1 3.28Å; I1131-I1135 WeakPolarHBondContact O-CG1 3.37Å; I1131-I1135 PolarHBondContact O-N 3Å
1132Y92Very high88.7Confident37 Ų3738.8 Ų38.815%0.14521%0.209CC..Hα-helixtrans-72.3-25.6-175.4-66-69.1000113P1128 I1135 A1136 K1154P1128-Y1132 HydrophobicContact CB-CD2 4.29Å; P1128-Y1132 HydrophobicContact CB-CE2 4.21Å; P1128-Y1132 WeakPolarHBondContact O-CD2 3.02Å; P1128-Y1132 PolarHBondContact O-N 3.32Å; Y1132-I1135 HydrophobicContact CD1-CD1 3.97Å; Y1132-I1135 HydrophobicContact CE1-CD1 4.33Å; Y1132-I1135 PolarHBondContact O-N 2.7Å; Y1132-A1136 WeakPolarHBondContact O-CB 3.45Å; Y1132-A1136 PolarHBondContact O-N 2.75Å; Y1132-K1154 HydrophobicContact CD1-CB 3.72Å; Y1132-K1154 HydrophobicContact CD1-CD 4.35Å; Y1132-K1154 HydrophobicContact CD1-CG 3.93Å; Y1132-K1154 HydrophobicContact CD2-CB 4.05Å; Y1132-K1154 HydrophobicContact CE1-CB 3.97Å; Y1132-K1154 HydrophobicContact CE1-CD 3.7Å; Y1132-K1154 HydrophobicContact CE1-CG 3.71Å; Y1132-K1154 HydrophobicContact CE2-CB 4.32Å; Y1132-K1154 HydrophobicContact CE2-CD 4.12Å; Y1132-K1154 HydrophobicContact CG-CB 3.78Å; Y1132-K1154 HydrophobicContact CG-CG 4.45Å; Y1132-K1154 PolarHBondContact OH-NZ 3.05Å
1133S90.7Very high88.4Confident51 Ų5144.5 Ų44.536%0.35723%0.23SC..Hα-helixtrans-68.5-44173.1-57.90000111.7L1129 I1130 I1131 A1136 L1137 L1155L1129-S1133 WeakPolarHBondContact O-CB 3.42Å; L1129-S1133 PolarHBondContact O-N 2.78Å; L1129-S1133 PolarHBondContact O-OG 3.11Å; I1130-S1133 PolarHBondContact O-N 2.97Å; I1131-S1133 VanDerWaalsContact C-N 3.33Å; I1131-S1133 PolarHBondContact O-N 3.22Å; S1133-A1136 PolarHBondContact O-N 2.87Å; S1133-L1137 WeakPolarHBondContact O-CB 3.42Å; S1133-L1137 PolarHBondContact O-N 2.8Å; S1133-L1155 WeakPolarHBondContact OG-CD2 3.47Å
1134L91.4Very high88.5Confident22 Ų2244.5 Ų44.512%0.11522%0.222CC..Hα-helixtrans-66.3-38174.4-75.2170.6000111.6I1101 L1104 V1116 L1119 I1130 I1131 L1137 C1138I1101-L1134 HydrophobicContact CG1-CD2 4.32Å; L1104-L1134 HydrophobicContact CD1-CD2 4.37Å; V1116-L1134 HydrophobicContact CG2-CB 3.57Å; L1119-L1134 HydrophobicContact CD1-CD1 4.4Å; I1130-L1134 HydrophobicContact CG2-CD1 3.98Å; I1130-L1134 WeakPolarHBondContact O-CB 3.49Å; I1130-L1134 WeakPolarHBondContact O-CG 3.29Å; I1130-L1134 PolarHBondContact O-N 2.74Å; I1131-L1134 PolarHBondContact O-N 2.89Å; L1134-L1137 PolarHBondContact O-N 2.6Å; L1134-C1138 WeakPolarHBondContact O-CB 3.35Å; L1134-C1138 PolarHBondContact O-N 2.92Å; L1134-C1138 PolarHBondContact O-SG 3.01Å
1135I91.8Very high88.7Confident6 Ų641.2 Ų41.23%0.03120%0.203CC..Hα-helixtrans-60.7-48.1173.4-66.1167000110.1V1116 K1120 I1131 Y1132 L1137 C1138 A1139 A1151V1116-I1135 HydrophobicContact CB-CG1 4.42Å; V1116-I1135 HydrophobicContact CG1-CB 4.4Å; V1116-I1135 HydrophobicContact CG1-CG1 3.87Å; V1116-I1135 HydrophobicContact CG2-CG1 3.87Å; K1120-I1135 HydrophobicContact CG-CD1 3.94Å; I1131-I1135 HydrophobicContact CG2-CD1 3.8Å; I1131-I1135 VanDerWaalsContact O-CG1 3.28Å; I1131-I1135 WeakPolarHBondContact O-CG1 3.37Å; I1131-I1135 PolarHBondContact O-N 3Å; Y1132-I1135 HydrophobicContact CD1-CD1 3.97Å; Y1132-I1135 HydrophobicContact CE1-CD1 4.33Å; Y1132-I1135 PolarHBondContact O-N 2.7Å; I1135-L1137 PolarHBondContact O-N 3.32Å; I1135-C1138 PolarHBondContact O-N 3.22Å; I1135-A1139 WeakPolarHBondContact O-CB 3.41Å; I1135-A1139 PolarHBondContact O-N 3.1Å; I1135-A1151 HydrophobicContact CB-CB 4.3Å; I1135-A1151 HydrophobicContact CG2-CB 3.93Å
1136A91.2Very high88.8Confident4 Ų443 Ų433%0.03322%0.215CC..Hα-helixtrans-59.9-45.9177.700000111.6Y1132 S1133 A1139 I1140 A1151 F1152 L1155Y1132-A1136 WeakPolarHBondContact O-CB 3.45Å; Y1132-A1136 PolarHBondContact O-N 2.75Å; S1133-A1136 PolarHBondContact O-N 2.87Å; A1136-A1139 WeakPolarHBondContact O-CB 3.43Å; A1136-A1139 PolarHBondContact O-N 3.49Å; A1136-I1140 WeakPolarHBondContact O-CG1 3.18Å; A1136-I1140 PolarHBondContact O-N 2.77Å; A1136-A1151 HydrophobicContact CB-CB 3.81Å; A1136-F1152 HydrophobicContact CB-CD2 4.18Å; A1136-F1152 HydrophobicContact CB-CE2 3.89Å; A1136-F1152 HydrophobicContact CB-CZ 4.31Å; A1136-L1155 HydrophobicContact CB-CD1 4.3Å
1137L91.8Very high88.8Confident74 Ų7443.5 Ų43.539%0.38722%0.22SC..Hα-helixtrans-61.6-49.1178.9-171.769.5000112.1L1104 S1133 L1134 I1135 A1139 I1140 Y1141L1104-L1137 HydrophobicContact CD1-CD2 4.17Å; S1133-L1137 WeakPolarHBondContact O-CB 3.42Å; S1133-L1137 PolarHBondContact O-N 2.8Å; L1134-L1137 PolarHBondContact O-N 2.6Å; I1135-L1137 PolarHBondContact O-N 3.32Å; L1137-A1139 VanDerWaalsContact C-N 3.28Å; L1137-A1139 PolarHBondContact O-N 2.89Å; L1137-I1140 PolarHBondContact O-N 2.8Å; L1137-Y1141 HydrophobicContact CD1-CD2 4.29Å; L1137-Y1141 HydrophobicContact CD1-CE2 3.69Å; L1137-Y1141 HydrophobicContact CD2-CE2 4.47Å; L1137-Y1141 HydrophobicContact CG-CD2 4.11Å; L1137-Y1141 HydrophobicContact CG-CE2 3.83Å; L1137-Y1141 VanDerWaalsContact O-CD2 3.23Å; L1137-Y1141 WeakPolarHBondContact O-CD2 3.12Å; L1137-Y1141 PolarHBondContact O-N 2.79Å
1138C91Very high89Confident0 Ų039.6 Ų39.60%020%0.199CC..Hα-helixtrans-63-36.7177.4-64.30000111.7F1113 V1116 L1134 I1135 Y1141 T1142F1113-C1138 HydrophobicContact CB-CB 4.04Å; F1113-C1138 HydrophobicContact CD2-CB 3.89Å; F1113-C1138 HydrophobicContact CG-CB 4.48Å; V1116-C1138 HydrophobicContact CG1-CB 4.07Å; L1134-C1138 WeakPolarHBondContact O-CB 3.35Å; L1134-C1138 PolarHBondContact O-N 2.92Å; L1134-C1138 PolarHBondContact O-SG 3.01Å; I1135-C1138 PolarHBondContact O-N 3.22Å; C1138-Y1141 PolarHBondContact O-N 2.64Å; C1138-T1142 WeakPolarHBondContact O-CG2 3.4Å; C1138-T1142 PolarHBondContact O-N 3.34Å; C1138-T1142 VanDerWaalsContact O-N 3.07Å; C1138-T1142 PolarHBondContact O-OG1 3.01Å
1139A90.4Very high89Confident0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-64.9-38.4176.900000112.3F1113 I1135 A1136 L1137 T1142 R1143 N1144 A1147 C1148F1113-A1139 HydrophobicContact CD2-CB 4.24Å; F1113-A1139 HydrophobicContact CE2-CB 3.77Å; I1135-A1139 WeakPolarHBondContact O-CB 3.41Å; I1135-A1139 PolarHBondContact O-N 3.1Å; A1136-A1139 WeakPolarHBondContact O-CB 3.43Å; A1136-A1139 PolarHBondContact O-N 3.49Å; L1137-A1139 VanDerWaalsContact C-N 3.28Å; L1137-A1139 PolarHBondContact O-N 2.89Å; A1139-T1142 WeakPolarHBondContact CA-OG1 3.45Å; A1139-T1142 PolarHBondContact O-OG1 3.23Å; A1139-R1143 PolarHBondContact O-N 3.49Å; A1139-R1143 VanDerWaalsContact O-N 3.13Å; A1139-N1144 PolarHBondContact O-N 3.28Å; A1139-A1147 HydrophobicContact CB-CB 4.15Å; A1139-C1148 HydrophobicContact CB-CB 3.68Å
1140I89.2Confident89.1Confident49 Ų4943.8 Ų43.825%0.25122%0.216SC..Hα-helixtrans-63.7-47.7175.3-67.8166.7000110.7A1136 L1137 T1142 R1143 C1148 F1152 L1176A1136-I1140 WeakPolarHBondContact O-CG1 3.18Å; A1136-I1140 PolarHBondContact O-N 2.77Å; L1137-I1140 PolarHBondContact O-N 2.8Å; I1140-T1142 VanDerWaalsContact C-N 3.3Å; I1140-T1142 PolarHBondContact O-N 3.45Å; I1140-R1143 PolarHBondContact O-N 2.9Å; I1140-R1143 VanDerWaalsContact O-N 3.08Å; I1140-C1148 WeakPolarHBondContact CG1-SG 3.31Å; I1140-F1152 HydrophobicContact CD1-CE2 4.34Å; I1140-L1176 HydrophobicContact CD1-CD1 4.35Å; I1140-L1176 HydrophobicContact CD1-CD2 3.88Å; I1140-L1176 HydrophobicContact CG1-CD2 4.12Å
1141Y89.2Confident89Confident126 Ų12640 Ų4049%0.49420%0.196SC..Hα-helixtrans-67-29.9-179-77.7-68.6000113.7L1104 F1109 L1137 C1138 R1143L1104-Y1141 HydrophobicContact CD2-CD2 3.78Å; L1104-Y1141 HydrophobicContact CD2-CE2 4.25Å; F1109-Y1141 HydrophobicContact CD1-CD1 4.34Å; F1109-Y1141 AromaticContact CD1-CG 4Å; F1109-Y1141 HydrophobicContact CD1-CG 4Å; F1109-Y1141 AromaticContact CE1-CD1 3.94Å; F1109-Y1141 HydrophobicContact CE1-CD1 3.94Å; F1109-Y1141 HydrophobicContact CE1-CG 4.01Å; F1109-Y1141 HydrophobicContact CZ-CD1 4.21Å; L1137-Y1141 HydrophobicContact CD1-CD2 4.29Å; L1137-Y1141 HydrophobicContact CD1-CE2 3.69Å; L1137-Y1141 HydrophobicContact CD2-CE2 4.47Å; L1137-Y1141 HydrophobicContact CG-CD2 4.11Å; L1137-Y1141 HydrophobicContact CG-CE2 3.83Å; L1137-Y1141 VanDerWaalsContact O-CD2 3.23Å; L1137-Y1141 WeakPolarHBondContact O-CD2 3.12Å; L1137-Y1141 PolarHBondContact O-N 2.79Å; C1138-Y1141 PolarHBondContact O-N 2.64Å; Y1141-R1143 VanDerWaalsContact C-N 3.31Å
1142T87.6Confident89Confident30 Ų3040.6 Ų40.618%0.18420%0.199CC..THydrogen-bonded Turntrans-85.6-0.617450.80000113.4F1109 N1110 F1113 C1138 A1139 I1140 N1144F1109-T1142 VanDerWaalsContact C-CG2 3.47Å; F1109-T1142 HydrophobicContact CB-CG2 3.75Å; F1109-T1142 WeakPolarHBondContact O-CG2 3.39Å; N1110-T1142 WeakPolarHBondContact OD1-CG2 3.45Å; F1113-T1142 HydrophobicContact CB-CG2 3.81Å; F1113-T1142 HydrophobicContact CG-CG2 4.37Å; C1138-T1142 WeakPolarHBondContact O-CG2 3.4Å; C1138-T1142 PolarHBondContact O-N 3.34Å; C1138-T1142 VanDerWaalsContact O-N 3.07Å; C1138-T1142 PolarHBondContact O-OG1 3.01Å; A1139-T1142 WeakPolarHBondContact CA-OG1 3.45Å; A1139-T1142 PolarHBondContact O-OG1 3.23Å; I1140-T1142 VanDerWaalsContact C-N 3.3Å; I1140-T1142 PolarHBondContact O-N 3.45Å; T1142-N1144 PolarHBondContact O-N 3.22Å
1143R84.5Confident88.8Confident140 Ų14043.2 Ų43.253%0.52821%0.214SC..THydrogen-bonded Turntrans55.726.5-172.9-55.4-170.8-178-161.10.3114A1139 I1140 Y1141 Y1145 E1185A1139-R1143 PolarHBondContact O-N 3.49Å; A1139-R1143 VanDerWaalsContact O-N 3.13Å; I1140-R1143 PolarHBondContact O-N 2.9Å; I1140-R1143 VanDerWaalsContact O-N 3.08Å; Y1141-R1143 VanDerWaalsContact C-N 3.31Å; R1143-Y1145 VanDerWaalsContact C-N 3.32Å; R1143-Y1145 HydrophobicContact CB-CE2 3.96Å; R1143-Y1145 HydrophobicContact CG-CE2 4.44Å; R1143-Y1145 WeakPolarHBondContact O-CD2 3.4Å; R1143-Y1145 PolarHBondContact O-N 3.44Å; R1143-Y1145 VanDerWaalsContact O-N 3.15Å; R1143-E1185 VanDerWaalsContact CD-OE2 3.29Å; R1143-E1185 WeakPolarHBondContact CD-OE2 3.45Å; R1143-E1185 IonicContact CZ-OE2 3.11Å; R1143-E1185 IonicContact NE-OE2 3.96Å; R1143-E1185 IonicContact NH1-OE2 3.39Å; R1143-E1185 PolarHBondContact NH1-OE2 2.82Å
1144N85.5Confident88.7Confident33 Ų3346 Ų4618%0.17622%0.22CC..  trans-87.272.5172.7-166-30.7000109.9F1113 A1139 T1142 V1146 A1147 C1148 N1184F1113-N1144 HydrophobicContact CZ-CB 4.47Å; A1139-N1144 PolarHBondContact O-N 3.28Å; T1142-N1144 PolarHBondContact O-N 3.22Å; N1144-V1146 PolarHBondContact O-N 3.04Å; N1144-A1147 HydrophobicContact CB-CB 4.41Å; N1144-A1147 PolarHBondContact O-N 3.39Å; N1144-A1147 WeakPolarHBondContact OD1-CB 3.28Å; N1144-A1147 PolarHBondContact OD1-N 2.8Å; N1144-A1147 VanDerWaalsContact OD1-N 3.15Å; N1144-C1148 PolarHBondContact O-N 2.79Å; N1144-N1184 WeakPolarHBondContact CA-OD1 3.37Å; N1144-N1184 PolarHBondContact OD1-ND2 3.11Å; N1144-N1184 PolarHBondContact OD1-OD1 2.77Å; N1144-N1184 VanDerWaalsContact OD1-OD1 3.09Å
1145Y86.2Confident88.6Confident17 Ų1745.1 Ų45.17%0.06722%0.215CC..Hα-helixtrans-66-19.7-174.6-64.6-75.1000113.4R1143 S1149 H1180 N1184R1143-Y1145 VanDerWaalsContact C-N 3.32Å; R1143-Y1145 HydrophobicContact CB-CE2 3.96Å; R1143-Y1145 HydrophobicContact CG-CE2 4.44Å; R1143-Y1145 WeakPolarHBondContact O-CD2 3.4Å; R1143-Y1145 PolarHBondContact O-N 3.44Å; R1143-Y1145 VanDerWaalsContact O-N 3.15Å; Y1145-S1149 WeakPolarHBondContact O-CB 3.25Å; Y1145-S1149 PolarHBondContact O-N 3.16Å; Y1145-H1180 HydrophobicContact CD1-CB 3.99Å; Y1145-H1180 HydrophobicContact CE1-CB 3.59Å; Y1145-H1180 AromaticContact CE1-CG 3.8Å; Y1145-H1180 HydrophobicContact CE2-CB 4.22Å; Y1145-H1180 HydrophobicContact CG-CB 4.46Å; Y1145-H1180 AromaticContact CZ-CG 3.64Å; Y1145-H1180 AromaticContact CZ-ND1 3.83Å; Y1145-H1180 PolarHBondContact OH-ND1 2.99Å; Y1145-N1184 PolarHBondContact N-OD1 3.35Å; Y1145-N1184 VanDerWaalsContact N-OD1 3.08Å
1146V86.5Confident88.2Confident58 Ų5847 Ų4735%0.35222%0.224SC..Hα-helixtrans-68.5-48.8172.5176.40000111.3N1144 C1148 S1149 K1150 N1184N1144-V1146 PolarHBondContact O-N 3.04Å; V1146-C1148 VanDerWaalsContact C-N 3.31Å; V1146-S1149 PolarHBondContact O-N 3.32Å; V1146-K1150 PolarHBondContact O-N 3.04Å; V1146-K1150 VanDerWaalsContact O-N 3.08Å; V1146-N1184 PolarHBondContact N-OD1 2.81Å
1147A85.8Confident88Confident17 Ų1752.5 Ų52.514%0.1425%0.253CS..Hα-helixtrans-65.8-37.4176.100000111.5F1113 A1139 N1144 S1149 K1150 A1151F1113-A1147 HydrophobicContact CE2-CB 3.84Å; F1113-A1147 HydrophobicContact CZ-CB 3.52Å; A1139-A1147 HydrophobicContact CB-CB 4.15Å; N1144-A1147 HydrophobicContact CB-CB 4.41Å; N1144-A1147 PolarHBondContact O-N 3.39Å; N1144-A1147 WeakPolarHBondContact OD1-CB 3.28Å; N1144-A1147 PolarHBondContact OD1-N 2.8Å; N1144-A1147 VanDerWaalsContact OD1-N 3.15Å; A1147-S1149 PolarHBondContact O-N 3.4Å; A1147-K1150 PolarHBondContact O-N 2.94Å; A1147-A1151 WeakPolarHBondContact O-CB 3.23Å; A1147-A1151 PolarHBondContact O-N 3.27Å
1148C88.4Confident87.6Confident0 Ų050.4 Ų50.40%024%0.242CC..Hα-helixtrans-57.3-48.2172.9-170.40000111.1A1139 I1140 N1144 V1146 K1150 A1151 F1152 F1177A1139-C1148 HydrophobicContact CB-CB 3.68Å; I1140-C1148 WeakPolarHBondContact CG1-SG 3.31Å; N1144-C1148 PolarHBondContact O-N 2.79Å; V1146-C1148 VanDerWaalsContact C-N 3.31Å; C1148-K1150 PolarHBondContact O-N 3.42Å; C1148-A1151 PolarHBondContact O-N 2.93Å; C1148-F1152 VanDerWaalsContact O-CD2 3.31Å; C1148-F1152 WeakPolarHBondContact O-CD2 3.45Å; C1148-F1152 PolarHBondContact O-N 2.79Å; C1148-F1152 WeakPolarHBondContact SG-CE2 3.1Å; C1148-F1177 HydrophobicContact CB-CZ 4.28Å
1149S88.6Confident87Confident32 Ų3256.5 Ų56.522%0.22428%0.28CS..Hα-helixtrans-61.1-45.7178.5177.80000111.9Y1145 V1146 A1147 A1151 F1152 I1153Y1145-S1149 WeakPolarHBondContact O-CB 3.25Å; Y1145-S1149 PolarHBondContact O-N 3.16Å; V1146-S1149 PolarHBondContact O-N 3.32Å; A1147-S1149 PolarHBondContact O-N 3.4Å; S1149-A1151 VanDerWaalsContact C-N 3.29Å; S1149-A1151 PolarHBondContact O-N 3.36Å; S1149-F1152 PolarHBondContact O-N 3.3Å; S1149-I1153 VanDerWaalsContact O-CG1 3.31Å; S1149-I1153 WeakPolarHBondContact O-CG1 3.39Å; S1149-I1153 PolarHBondContact O-N 2.9Å
1150K89.2Confident86.3Confident138 Ų13863.3 Ų63.360%0.632%0.316SS*.Hα-helixtrans-60.3-38.1175.7-69.9177.8-177.8176.60112.3V1146 A1147 C1148 K1154V1146-K1150 PolarHBondContact O-N 3.04Å; V1146-K1150 VanDerWaalsContact O-N 3.08Å; A1147-K1150 PolarHBondContact O-N 2.94Å; C1148-K1150 PolarHBondContact O-N 3.42Å; K1150-K1154 WeakPolarHBondContact O-CG 3.36Å; K1150-K1154 PolarHBondContact O-N 3.4Å; K1150-K1154 VanDerWaalsContact O-N 3.11Å
1151A88Confident85.7Confident3 Ų362 Ų623%0.02531%0.309CS..Hα-helixtrans-68.3-43.4176.900000111.8I1135 A1136 A1147 C1148 S1149 I1153 K1154 L1155I1135-A1151 HydrophobicContact CB-CB 4.3Å; I1135-A1151 HydrophobicContact CG2-CB 3.93Å; A1136-A1151 HydrophobicContact CB-CB 3.81Å; A1147-A1151 WeakPolarHBondContact O-CB 3.23Å; A1147-A1151 PolarHBondContact O-N 3.27Å; C1148-A1151 PolarHBondContact O-N 2.93Å; S1149-A1151 VanDerWaalsContact C-N 3.29Å; S1149-A1151 PolarHBondContact O-N 3.36Å; A1151-I1153 PolarHBondContact O-N 3.25Å; A1151-K1154 WeakPolarHBondContact O-CB 3.29Å; A1151-K1154 PolarHBondContact O-N 3.34Å; A1151-L1155 VanDerWaalsContact O-CG 3.32Å; A1151-L1155 WeakPolarHBondContact O-CG 3.22Å; A1151-L1155 PolarHBondContact O-N 2.82Å
1152F89.9Confident85.4Confident15 Ų1557.9 Ų57.97%0.06630%0.299CS..Hα-helixtrans-63.9-38.1174.5-84.5-73.7000112.7A1136 I1140 C1148 S1149 K1154 L1155 E1156 I1169 L1172 T1173 L1176 F1177A1136-F1152 HydrophobicContact CB-CD2 4.18Å; A1136-F1152 HydrophobicContact CB-CE2 3.89Å; A1136-F1152 HydrophobicContact CB-CZ 4.31Å; I1140-F1152 HydrophobicContact CD1-CE2 4.34Å; C1148-F1152 VanDerWaalsContact O-CD2 3.31Å; C1148-F1152 WeakPolarHBondContact O-CD2 3.45Å; C1148-F1152 PolarHBondContact O-N 2.79Å; C1148-F1152 WeakPolarHBondContact SG-CE2 3.1Å; S1149-F1152 PolarHBondContact O-N 3.3Å; F1152-K1154 VanDerWaalsContact C-N 3.3Å; F1152-K1154 PolarHBondContact O-N 3.45Å; F1152-L1155 HydrophobicContact CD1-CD1 4.17Å; F1152-L1155 HydrophobicContact CE1-CD1 4.42Å; F1152-L1155 PolarHBondContact O-N 3.03Å; F1152-E1156 WeakPolarHBondContact O-CG 3.47Å; F1152-E1156 PolarHBondContact O-N 3.05Å; F1152-I1169 HydrophobicContact CD1-CG2 3.97Å; F1152-I1169 HydrophobicContact CE1-CG2 4.35Å; F1152-L1172 HydrophobicContact CE1-CD2 4.13Å; F1152-L1172 HydrophobicContact CZ-CD2 3.91Å; F1152-T1173 HydrophobicContact CB-CG2 4.1Å; F1152-T1173 WeakPolarHBondContact CD1-OG1 3.3Å; F1152-T1173 HydrophobicContact CG-CG2 4.4Å; F1152-L1176 HydrophobicContact CD2-CD2 4.43Å; F1152-L1176 HydrophobicContact CE2-CD2 3.78Å; F1152-L1176 HydrophobicContact CZ-CD2 4.44Å; F1152-F1177 HydrophobicContact CD2-CE2 4.11Å; F1152-F1177 HydrophobicContact CD2-CZ 4.48Å
1153I87.7Confident85.2Confident92 Ų9261.6 Ų61.647%0.47232%0.323SS..Hα-helixtrans-61.5-39.9172.7-67.6164.9000111.2S1149 A1151 N1157S1149-I1153 VanDerWaalsContact O-CG1 3.31Å; S1149-I1153 WeakPolarHBondContact O-CG1 3.39Å; S1149-I1153 PolarHBondContact O-N 2.9Å; A1151-I1153 PolarHBondContact O-N 3.25Å; I1153-N1157 WeakPolarHBondContact O-CB 3.44Å; I1153-N1157 PolarHBondContact O-N 2.79Å; I1153-N1157 PolarHBondContact O-ND2 2.86Å
1154K89.2Confident85.2Confident109 Ų10959.3 Ų59.347%0.47433%0.325SS..Hα-helixtrans-65.1-44.5174.5-73.8-93.1-167.7155.70110.9Y1132 K1150 A1151 F1152 N1157 L1158Y1132-K1154 HydrophobicContact CD1-CB 3.72Å; Y1132-K1154 HydrophobicContact CD1-CD 4.35Å; Y1132-K1154 HydrophobicContact CD1-CG 3.93Å; Y1132-K1154 HydrophobicContact CD2-CB 4.05Å; Y1132-K1154 HydrophobicContact CE1-CB 3.97Å; Y1132-K1154 HydrophobicContact CE1-CD 3.7Å; Y1132-K1154 HydrophobicContact CE1-CG 3.71Å; Y1132-K1154 HydrophobicContact CE2-CB 4.32Å; Y1132-K1154 HydrophobicContact CE2-CD 4.12Å; Y1132-K1154 HydrophobicContact CG-CB 3.78Å; Y1132-K1154 HydrophobicContact CG-CG 4.45Å; Y1132-K1154 PolarHBondContact OH-NZ 3.05Å; K1150-K1154 WeakPolarHBondContact O-CG 3.36Å; K1150-K1154 PolarHBondContact O-N 3.4Å; K1150-K1154 VanDerWaalsContact O-N 3.11Å; A1151-K1154 WeakPolarHBondContact O-CB 3.29Å; A1151-K1154 PolarHBondContact O-N 3.34Å; F1152-K1154 VanDerWaalsContact C-N 3.3Å; F1152-K1154 PolarHBondContact O-N 3.45Å; K1154-N1157 PolarHBondContact O-N 3.01Å; K1154-L1158 WeakPolarHBondContact O-CG 3.38Å; K1154-L1158 PolarHBondContact O-N 3.34Å
1155L88.3Confident85.1Confident4 Ų461.7 Ų61.72%0.02134%0.335CS..Hα-helixtrans-62.1-45178.7-72.3167.4000112L1129 S1133 A1136 A1151 F1152 N1157 L1158 I1161 I1169L1129-L1155 HydrophobicContact CD1-CD2 3.78Å; S1133-L1155 WeakPolarHBondContact OG-CD2 3.47Å; A1136-L1155 HydrophobicContact CB-CD1 4.3Å; A1151-L1155 VanDerWaalsContact O-CG 3.32Å; A1151-L1155 WeakPolarHBondContact O-CG 3.22Å; A1151-L1155 PolarHBondContact O-N 2.82Å; F1152-L1155 HydrophobicContact CD1-CD1 4.17Å; F1152-L1155 HydrophobicContact CE1-CD1 4.42Å; F1152-L1155 PolarHBondContact O-N 3.03Å; L1155-N1157 PolarHBondContact O-N 2.67Å; L1155-L1158 HydrophobicContact CD2-CD1 3.99Å; L1155-L1158 PolarHBondContact O-N 3Å; L1155-I1161 VanDerWaalsContact O-CD1 3.23Å; L1155-I1161 WeakPolarHBondContact O-CD1 3.41Å; L1155-I1169 HydrophobicContact CB-CD1 4.49Å; L1155-I1169 HydrophobicContact CB-CG2 4.09Å
1156E84.4Confident85.1Confident47 Ų4763.7 Ų63.722%0.2235%0.345CS..Hα-helixtrans-63.1-28.9178.2-75-173.3-177.100113F1152 Q1166 I1169 K1170F1152-E1156 WeakPolarHBondContact O-CG 3.47Å; F1152-E1156 PolarHBondContact O-N 3.05Å; E1156-Q1166 PolarHBondContact O-NE2 2.98Å; E1156-I1169 HydrophobicContact CG-CG2 3.99Å; E1156-K1170 HydrophobicContact CG-CG 3.89Å; E1156-K1170 WeakPolarHBondContact OE1-CG 3.13Å
1157N86.1Confident85.1Confident118 Ų11867.2 Ų67.263%0.63136%0.356SS*.THydrogen-bonded Turntrans-94.35.6-178-70.5-48.3000114.2I1153 K1154 L1155I1153-N1157 WeakPolarHBondContact O-CB 3.44Å; I1153-N1157 PolarHBondContact O-N 2.79Å; I1153-N1157 PolarHBondContact O-ND2 2.86Å; K1154-N1157 PolarHBondContact O-N 3.01Å; L1155-N1157 PolarHBondContact O-N 2.67Å
1158L84.1Confident85.2Confident31 Ų3172.2 Ų72.216%0.16238%0.376CS..  trans-70.3134.1174.1-73.2168.6000110.5P1128 L1129 K1154 L1155 I1161 Q1166P1128-L1158 HydrophobicContact CB-CD2 3.69Å; L1129-L1158 HydrophobicContact CB-CD1 3.98Å; L1129-L1158 HydrophobicContact CD1-CD1 3.71Å; L1129-L1158 HydrophobicContact CG-CD1 4.49Å; K1154-L1158 WeakPolarHBondContact O-CG 3.38Å; K1154-L1158 PolarHBondContact O-N 3.34Å; L1155-L1158 HydrophobicContact CD2-CD1 3.99Å; L1155-L1158 PolarHBondContact O-N 3Å; L1158-I1161 HydrophobicContact CB-CD1 3.66Å; L1158-I1161 HydrophobicContact CB-CG1 3.64Å; L1158-I1161 HydrophobicContact CD1-CD1 4.35Å; L1158-I1161 WeakPolarHBondContact O-CG1 3.36Å; L1158-Q1166 PolarHBondContact O-NE2 3.37Å
1159T78Confident85.2Confident128 Ų12873.6 Ų73.679%0.78538%0.383SS*.SBendtrans-84.5-16.7-179.351.60000113.9
1160D75.4Confident85.1Confident143 Ų14376.7 Ų76.777%0.76539%0.393SS*.SBendtrans-101.511.7-167.4-64.1-1.3000113.7
1161I77.8Confident85.1Confident20 Ų2075 Ų7510%0.10339%0.387CS..SBendtrans-104.1150.6178.416.2171.5000111.2L1129 L1155 L1158 E1165 Q1166 I1169L1129-I1161 HydrophobicContact CD1-CD1 4.2Å; L1129-I1161 HydrophobicContact CD1-CG2 3.62Å; L1129-I1161 HydrophobicContact CD2-CG2 3.68Å; L1129-I1161 HydrophobicContact CG-CG2 4.26Å; L1155-I1161 VanDerWaalsContact O-CD1 3.23Å; L1155-I1161 WeakPolarHBondContact O-CD1 3.41Å; L1158-I1161 HydrophobicContact CB-CD1 3.66Å; L1158-I1161 HydrophobicContact CB-CG1 3.64Å; L1158-I1161 HydrophobicContact CD1-CD1 4.35Å; L1158-I1161 WeakPolarHBondContact O-CG1 3.36Å; I1161-E1165 HydrophobicContact CB-CB 4.46Å; I1161-E1165 HydrophobicContact CG2-CB 4.22Å; I1161-Q1166 HydrophobicContact CD1-CG 4.23Å; I1161-I1169 HydrophobicContact CD1-CD1 4Å
1162S82Confident85.1Confident40 Ų4079.8 Ų79.828%0.2841%0.412SS..  trans-64.6148.6177.968.10000111.2T1164 E1165 Q1166S1162-T1164 PolarHBondContact O-N 3.27Å; S1162-T1164 VanDerWaalsContact O-N 3.13Å; S1162-T1164 PolarHBondContact OG-OG1 3.15Å; S1162-E1165 WeakPolarHBondContact CB-OE2 3.37Å; S1162-E1165 PolarHBondContact N-OE2 2.77Å; S1162-E1165 PolarHBondContact O-N 3.49Å; S1162-E1165 VanDerWaalsContact O-N 3.09Å; S1162-E1165 WeakPolarHBondContact OG-CB 3.46Å; S1162-E1165 VanDerWaalsContact OG-CD 3.25Å; S1162-E1165 VanDerWaalsContact OG-CG 3.22Å; S1162-E1165 WeakPolarHBondContact OG-CG 3.27Å; S1162-E1165 PolarHBondContact OG-N 3.1Å; S1162-E1165 PolarHBondContact OG-OE2 2.67Å; S1162-Q1166 PolarHBondContact O-N 3.4Å
1163P82.9Confident85Confident108 Ų10880.1 Ų80.170%0.70142%0.415SS*.Hα-helixtrans-61.5-23.8178.522.3-31.6000112.8K1167P1163-K1167 WeakPolarHBondContact O-CB 3.24Å; P1163-K1167 PolarHBondContact O-N 2.93Å; P1163-K1167 VanDerWaalsContact O-N 3.15Å
1164T85.9Confident85Confident92 Ų9281.8 Ų81.856%0.56442%0.424SS*.Hα-helixtrans-68.2-51.1171.137.50000111.9S1162 Q1166 K1167 E1168S1162-T1164 PolarHBondContact O-N 3.27Å; S1162-T1164 VanDerWaalsContact O-N 3.13Å; S1162-T1164 PolarHBondContact OG-OG1 3.15Å; T1164-Q1166 VanDerWaalsContact C-N 3.29Å; T1164-Q1166 PolarHBondContact O-N 3.46Å; T1164-K1167 WeakPolarHBondContact O-CB 3.36Å; T1164-K1167 PolarHBondContact O-N 2.95Å; T1164-K1167 VanDerWaalsContact O-N 3.1Å; T1164-E1168 WeakPolarHBondContact O-CG 3.32Å; T1164-E1168 PolarHBondContact O-N 2.73Å
1165E83.7Confident84.9Confident83 Ų8381.6 Ų81.639%0.38843%0.428SS..Hα-helixtrans-61.6-39.6176.2-73.1162.6139.300111.1I1161 S1162 K1167 E1168 I1169I1161-E1165 HydrophobicContact CB-CB 4.46Å; I1161-E1165 HydrophobicContact CG2-CB 4.22Å; S1162-E1165 WeakPolarHBondContact CB-OE2 3.37Å; S1162-E1165 PolarHBondContact N-OE2 2.77Å; S1162-E1165 PolarHBondContact O-N 3.49Å; S1162-E1165 VanDerWaalsContact O-N 3.09Å; S1162-E1165 WeakPolarHBondContact OG-CB 3.46Å; S1162-E1165 VanDerWaalsContact OG-CD 3.25Å; S1162-E1165 VanDerWaalsContact OG-CG 3.22Å; S1162-E1165 WeakPolarHBondContact OG-CG 3.27Å; S1162-E1165 PolarHBondContact OG-N 3.1Å; S1162-E1165 PolarHBondContact OG-OE2 2.67Å; E1165-K1167 VanDerWaalsContact C-N 3.25Å; E1165-K1167 PolarHBondContact O-N 2.93Å; E1165-E1168 PolarHBondContact O-N 3.18Å; E1165-I1169 WeakPolarHBondContact O-CB 3.39Å; E1165-I1169 VanDerWaalsContact O-CG1 3.23Å; E1165-I1169 WeakPolarHBondContact O-CG1 3.27Å; E1165-I1169 PolarHBondContact O-N 2.91Å
1166Q85.1Confident84.9Confident59 Ų5982.9 Ų82.928%0.27644%0.435SS..Hα-helixtrans-63.1-33.5177.4-141.4178.120.400112E1156 L1158 I1161 S1162 T1164 K1170E1156-Q1166 PolarHBondContact O-NE2 2.98Å; L1158-Q1166 PolarHBondContact O-NE2 3.37Å; I1161-Q1166 HydrophobicContact CD1-CG 4.23Å; S1162-Q1166 PolarHBondContact O-N 3.4Å; T1164-Q1166 VanDerWaalsContact C-N 3.29Å; T1164-Q1166 PolarHBondContact O-N 3.46Å; Q1166-K1170 WeakPolarHBondContact O-CG 3.37Å; Q1166-K1170 PolarHBondContact O-N 2.94Å
1167K86.5Confident85.1Confident132 Ų13282.5 Ų82.557%0.57443%0.433SS*.Hα-helixtrans-74.2-42.7175.6-165-176.8176.6-164.60111.6P1163 T1164 E1165 K1170 E1171P1163-K1167 WeakPolarHBondContact O-CB 3.24Å; P1163-K1167 PolarHBondContact O-N 2.93Å; P1163-K1167 VanDerWaalsContact O-N 3.15Å; T1164-K1167 WeakPolarHBondContact O-CB 3.36Å; T1164-K1167 PolarHBondContact O-N 2.95Å; T1164-K1167 VanDerWaalsContact O-N 3.1Å; E1165-K1167 VanDerWaalsContact C-N 3.25Å; E1165-K1167 PolarHBondContact O-N 2.93Å; K1167-K1170 WeakPolarHBondContact O-CB 3.41Å; K1167-K1170 PolarHBondContact O-N 3.33Å; K1167-E1171 WeakPolarHBondContact CE-OE1 3.45Å; K1167-E1171 IonicContact NZ-OE1 4Å; K1167-E1171 PolarHBondContact O-N 3.12Å
1168E88.6Confident85.1Confident123 Ų12385.7 Ų85.758%0.57544%0.441SS*.Hα-helixtrans-62-43.4175.3-71.6174.6-176.200111.7T1164 E1165 K1170 E1171 L1172T1164-E1168 WeakPolarHBondContact O-CG 3.32Å; T1164-E1168 PolarHBondContact O-N 2.73Å; E1165-E1168 PolarHBondContact O-N 3.18Å; E1168-K1170 VanDerWaalsContact C-N 3.29Å; E1168-K1170 PolarHBondContact O-N 3.37Å; E1168-E1171 PolarHBondContact O-N 2.84Å; E1168-L1172 VanDerWaalsContact O-CB 3.27Å; E1168-L1172 WeakPolarHBondContact O-CB 3.21Å; E1168-L1172 PolarHBondContact O-N 2.89Å
1169I87.1Confident85.1Confident29 Ų2993.6 Ų93.615%0.14947%0.469CS..Hα-helixtrans-59.5-41.4175.1-69.1165.8000110.5F1152 L1155 E1156 I1161 E1165 L1172 T1173F1152-I1169 HydrophobicContact CD1-CG2 3.97Å; F1152-I1169 HydrophobicContact CE1-CG2 4.35Å; L1155-I1169 HydrophobicContact CB-CD1 4.49Å; L1155-I1169 HydrophobicContact CB-CG2 4.09Å; E1156-I1169 HydrophobicContact CG-CG2 3.99Å; I1161-I1169 HydrophobicContact CD1-CD1 4Å; E1165-I1169 WeakPolarHBondContact O-CB 3.39Å; E1165-I1169 VanDerWaalsContact O-CG1 3.23Å; E1165-I1169 WeakPolarHBondContact O-CG1 3.27Å; E1165-I1169 PolarHBondContact O-N 2.91Å; I1169-L1172 PolarHBondContact O-N 3.14Å; I1169-T1173 VanDerWaalsContact O-CB 3.31Å; I1169-T1173 WeakPolarHBondContact O-CB 3.27Å; I1169-T1173 PolarHBondContact O-N 3.1Å; I1169-T1173 PolarHBondContact O-OG1 3.4Å
1170K87.1Confident85.2Confident96 Ų9691.2 Ų91.242%0.41745%0.449SS..Hα-helixtrans-65.6-45.3176.6-81178.5178.1-1790112.7E1156 Q1166 K1167 E1168 L1172 T1173 L1174E1156-K1170 HydrophobicContact CG-CG 3.89Å; E1156-K1170 WeakPolarHBondContact OE1-CG 3.13Å; Q1166-K1170 WeakPolarHBondContact O-CG 3.37Å; Q1166-K1170 PolarHBondContact O-N 2.94Å; K1167-K1170 WeakPolarHBondContact O-CB 3.41Å; K1167-K1170 PolarHBondContact O-N 3.33Å; E1168-K1170 VanDerWaalsContact C-N 3.29Å; E1168-K1170 PolarHBondContact O-N 3.37Å; K1170-L1172 VanDerWaalsContact C-N 3.32Å; K1170-L1172 PolarHBondContact O-N 3.27Å; K1170-T1173 PolarHBondContact O-N 2.91Å; K1170-L1174 WeakPolarHBondContact O-CG 3.24Å; K1170-L1174 PolarHBondContact O-N 2.83Å
1171E89Confident85.4Confident103 Ų10391.2 Ų91.248%0.48144%0.444SS..Hα-helixtrans-62.1-42.1176.5-74.3175.8-173.100110.9K1167 E1168 L1174 D1175K1167-E1171 WeakPolarHBondContact CE-OE1 3.45Å; K1167-E1171 IonicContact NZ-OE1 4Å; K1167-E1171 PolarHBondContact O-N 3.12Å; E1168-E1171 PolarHBondContact O-N 2.84Å; E1171-L1174 PolarHBondContact O-N 2.79Å; E1171-D1175 PolarHBondContact O-N 3.24Å
1172L88.2Confident85.4Confident104 Ų10493.2 Ų93.255%0.54546%0.459SS..Hα-helixtrans-68-36.7177.9-152.8133000112.2F1152 E1168 I1169 K1170 L1176F1152-L1172 HydrophobicContact CE1-CD2 4.13Å; F1152-L1172 HydrophobicContact CZ-CD2 3.91Å; E1168-L1172 VanDerWaalsContact O-CB 3.27Å; E1168-L1172 WeakPolarHBondContact O-CB 3.21Å; E1168-L1172 PolarHBondContact O-N 2.89Å; I1169-L1172 PolarHBondContact O-N 3.14Å; K1170-L1172 VanDerWaalsContact C-N 3.32Å; K1170-L1172 PolarHBondContact O-N 3.27Å; L1172-L1176 VanDerWaalsContact O-CB 3.24Å; L1172-L1176 WeakPolarHBondContact O-CB 3.26Å; L1172-L1176 PolarHBondContact O-N 3.04Å
1173T88.3Confident85.1Confident21 Ų2196.3 Ų96.313%0.12947%0.471CS..Hα-helixtrans-63.1-46.3173-58.90000110.6F1152 I1169 K1170 F1177F1152-T1173 HydrophobicContact CB-CG2 4.1Å; F1152-T1173 WeakPolarHBondContact CD1-OG1 3.3Å; F1152-T1173 HydrophobicContact CG-CG2 4.4Å; I1169-T1173 VanDerWaalsContact O-CB 3.31Å; I1169-T1173 WeakPolarHBondContact O-CB 3.27Å; I1169-T1173 PolarHBondContact O-N 3.1Å; I1169-T1173 PolarHBondContact O-OG1 3.4Å; K1170-T1173 PolarHBondContact O-N 2.91Å; T1173-F1177 HydrophobicContact CG2-CD2 3.7Å; T1173-F1177 HydrophobicContact CG2-CE2 3.92Å; T1173-F1177 VanDerWaalsContact O-CD2 3.24Å; T1173-F1177 WeakPolarHBondContact O-CD2 3.21Å; T1173-F1177 PolarHBondContact O-N 2.9Å
1174L87.7Confident84.5Confident127 Ų12793.6 Ų93.667%0.66545%0.451SS*.Hα-helixtrans-61.5-48.2176.9-74.6167.8000111.5K1170 E1171 L1176 F1178K1170-L1174 WeakPolarHBondContact O-CG 3.24Å; K1170-L1174 PolarHBondContact O-N 2.83Å; E1171-L1174 PolarHBondContact O-N 2.79Å; L1174-L1176 PolarHBondContact O-N 3.05Å; L1174-F1178 WeakPolarHBondContact O-CB 3.46Å; L1174-F1178 PolarHBondContact O-N 3.18Å
1175D87.8Confident83.3Confident105 Ų10594.8 Ų94.856%0.56145%0.45SS*.Hα-helixtrans-63.9-41.2179.8-92.31.1000112.8E1171 R1179E1171-D1175 PolarHBondContact O-N 3.24Å; D1175-R1179 PolarHBondContact O-N 3.05Å
1176L86.6Confident81.8Confident32 Ų3299.5 Ų99.517%0.16847%0.472CS..Hα-helixtrans-65.2-51.2179.5-174.574.7000111I1140 F1152 L1172 L1174 F1178 R1179 H1180I1140-L1176 HydrophobicContact CD1-CD1 4.35Å; I1140-L1176 HydrophobicContact CD1-CD2 3.88Å; I1140-L1176 HydrophobicContact CG1-CD2 4.12Å; F1152-L1176 HydrophobicContact CD2-CD2 4.43Å; F1152-L1176 HydrophobicContact CE2-CD2 3.78Å; F1152-L1176 HydrophobicContact CZ-CD2 4.44Å; L1172-L1176 VanDerWaalsContact O-CB 3.24Å; L1172-L1176 WeakPolarHBondContact O-CB 3.26Å; L1172-L1176 PolarHBondContact O-N 3.04Å; L1174-L1176 PolarHBondContact O-N 3.05Å; L1176-F1178 VanDerWaalsContact C-N 3.31Å; L1176-F1178 PolarHBondContact O-N 2.72Å; L1176-R1179 PolarHBondContact O-N 2.85Å; L1176-H1180 PolarHBondContact O-N 2.87Å
1177F88.5Confident80.2Confident38 Ų38102.8 Ų102.817%0.16749%0.491CS..Hα-helixtrans-80.4-11.1-176.2-67.5-67.1000113.8C1148 F1152 T1173 H1180 P1182C1148-F1177 HydrophobicContact CB-CZ 4.28Å; F1152-F1177 HydrophobicContact CD2-CE2 4.11Å; F1152-F1177 HydrophobicContact CD2-CZ 4.48Å; T1173-F1177 HydrophobicContact CG2-CD2 3.7Å; T1173-F1177 HydrophobicContact CG2-CE2 3.92Å; T1173-F1177 VanDerWaalsContact O-CD2 3.24Å; T1173-F1177 WeakPolarHBondContact O-CD2 3.21Å; T1173-F1177 PolarHBondContact O-N 2.9Å; F1177-H1180 WeakPolarHBondContact CA-O 3.23Å; F1177-H1180 WeakPolarHBondContact CD1-O 3.48Å; F1177-P1182 HydrophobicContact CD1-CB 3.93Å; F1177-P1182 HydrophobicContact CD1-CG 4.4Å; F1177-P1182 HydrophobicContact CE1-CB 3.86Å
1178F86.6Confident78.5Confident185 Ų185101 Ų10181%0.81149%0.491SS*.Hα-helixtrans-70.8-32.6165.2-167.2-92.8000111.9L1174 L1176L1174-F1178 WeakPolarHBondContact O-CB 3.46Å; L1174-F1178 PolarHBondContact O-N 3.18Å; L1176-F1178 VanDerWaalsContact C-N 3.31Å; L1176-F1178 PolarHBondContact O-N 2.72Å
1179R83.6Confident76.6Confident197 Ų197102.7 Ų102.774%0.74350%0.503SS*.Hα-helixtrans-89.2-35.2178.3-66.9-177.3-173170.16.1113.6D1175 L1176D1175-R1179 PolarHBondContact O-N 3.05Å; L1176-R1179 PolarHBondContact O-N 2.85Å
1180H81.6Confident74.9Confident79 Ų79109.6 Ų109.637%0.36654%0.535SS..SBendtrans-126.2114.2-177.7-60.9-75000109.9Y1145 L1176 F1177Y1145-H1180 HydrophobicContact CD1-CB 3.99Å; Y1145-H1180 HydrophobicContact CE1-CB 3.59Å; Y1145-H1180 AromaticContact CE1-CG 3.8Å; Y1145-H1180 HydrophobicContact CE2-CB 4.22Å; Y1145-H1180 HydrophobicContact CG-CB 4.46Å; Y1145-H1180 AromaticContact CZ-CG 3.64Å; Y1145-H1180 AromaticContact CZ-ND1 3.83Å; Y1145-H1180 PolarHBondContact OH-ND1 2.99Å; L1176-H1180 PolarHBondContact O-N 2.87Å; F1177-H1180 WeakPolarHBondContact CA-O 3.23Å; F1177-H1180 WeakPolarHBondContact CD1-O 3.48Å
1181Q78.9Confident73.5Confident142 Ų142106.3 Ų106.366%0.66452%0.524SS*.  trans-62.4145.9173.3-71.6-170.5-7.800109.9I1183Q1181-I1183 HydrophobicContact CB-CD1 4.09Å; Q1181-I1183 HydrophobicContact CB-CG1 4.18Å; Q1181-I1183 PolarHBondContact O-N 2.8Å
1182P77.9Confident72Confident63 Ų63104.8 Ų104.841%0.40953%0.525SS..SBendtrans-7461.2-179.431.6-34.4000111.5F1177F1177-P1182 HydrophobicContact CD1-CB 3.93Å; F1177-P1182 HydrophobicContact CD1-CG 4.4Å; F1177-P1182 HydrophobicContact CE1-CB 3.86Å
1183I75.4Confident70.8Confident105 Ų105106.9 Ų106.954%0.53853%0.532SS..  trans-130.9132.2179.8-51173000106Q1181Q1181-I1183 HydrophobicContact CB-CD1 4.09Å; Q1181-I1183 HydrophobicContact CB-CG1 4.18Å; Q1181-I1183 PolarHBondContact O-N 2.8Å
1184N70.5Confident69.6Low51 Ų51108.2 Ų108.227%0.27354%0.537SS..  trans-74.2133.7-179.6-68.1-7.3000110.4N1144 Y1145 V1146N1144-N1184 WeakPolarHBondContact CA-OD1 3.37Å; N1144-N1184 PolarHBondContact OD1-ND2 3.11Å; N1144-N1184 PolarHBondContact OD1-OD1 2.77Å; N1144-N1184 VanDerWaalsContact OD1-OD1 3.09Å; Y1145-N1184 PolarHBondContact N-OD1 3.35Å; Y1145-N1184 VanDerWaalsContact N-OD1 3.08Å; V1146-N1184 PolarHBondContact N-OD1 2.81Å
1185E60.6Low68.5Low116 Ų116104.4 Ų104.454%0.54252%0.518SS..SBendtrans-84.3113.3173.3-80.5-176.315800110.2R1143R1143-E1185 VanDerWaalsContact CD-OE2 3.29Å; R1143-E1185 WeakPolarHBondContact CD-OE2 3.45Å; R1143-E1185 IonicContact CZ-OE2 3.11Å; R1143-E1185 IonicContact NE-OE2 3.96Å; R1143-E1185 IonicContact NH1-OE2 3.39Å; R1143-E1185 PolarHBondContact NH1-OE2 2.82Å
1186Q53.1Low67.4Low182 Ų182102.8 Ų102.885%0.8552%0.515SS*.  trans49.892.2172.3-68.5-176.4-12.500116T1188Q1186-T1188 PolarHBondContact O-N 2.84Å
1187D51.2Low66.4Low129 Ų129104 Ų10469%0.6952%0.52SS*.  trans-62112.4164.9-68-34000110.1
1188T50.3Low65.2Low94 Ų94104.3 Ų104.358%0.57752%0.523SS*.  trans-78.5129.316442.90000108.7Q1186 E1190 S1191Q1186-T1188 PolarHBondContact O-N 2.84Å; T1188-E1190 VanDerWaalsContact C-N 3.26Å; T1188-E1190 PolarHBondContact O-N 2.88Å; T1188-E1190 VanDerWaalsContact O-N 3.08Å; T1188-S1191 WeakPolarHBondContact O-CB 3.05Å; T1188-S1191 PolarHBondContact O-N 2.97Å; T1188-S1191 PolarHBondContact O-OG 2.93Å
1189L48.9Very low64.1Low158 Ų158103 Ų10383%0.82752%0.52SS*.Hα-helixtrans-48.3-42.5-172.6-107.496.8000114.3S1191 S1192L1189-S1191 PolarHBondContact O-N 3.4Å; L1189-S1192 PolarHBondContact O-N 2.74Å; L1189-S1192 PolarHBondContact O-OG 2.84Å
1190E51.4Low63Low174 Ų17495.8 Ų95.881%0.81350%0.499SS*.Hα-helixtrans-65.1-23.2-178.5-72.2-176.316400114T1188 S1192T1188-E1190 VanDerWaalsContact C-N 3.26Å; T1188-E1190 PolarHBondContact O-N 2.88Å; T1188-E1190 VanDerWaalsContact O-N 3.08Å; E1190-S1192 VanDerWaalsContact C-N 3.34Å
1191S56.7Low61.9Low27 Ų27101.8 Ų101.819%0.18953%0.527CS..Hα-helixtrans-70.9-30.5176.966.30000112.6R1114 T1188 L1189 D1195R1114-S1191 PolarHBondContact NH2-O 2.88Å; T1188-S1191 WeakPolarHBondContact O-CB 3.05Å; T1188-S1191 PolarHBondContact O-N 2.97Å; T1188-S1191 PolarHBondContact O-OG 2.93Å; L1189-S1191 PolarHBondContact O-N 3.4Å; S1191-D1195 VanDerWaalsContact O-CG 3.22Å; S1191-D1195 PolarHBondContact O-N 2.81Å
1192S58.7Low61Low71 Ų7199.7 Ų99.750%0.49753%0.525SS..Hα-helixtrans-75.7-35.1-170.374.20000114.6L1189 E1190 S1196L1189-S1192 PolarHBondContact O-N 2.74Å; L1189-S1192 PolarHBondContact O-OG 2.84Å; E1190-S1192 VanDerWaalsContact C-N 3.34Å; S1192-S1196 PolarHBondContact O-N 2.77Å
1193E62.5Low60.6Low148 Ų148106.6 Ų106.669%0.69255%0.548SS*.Hα-helixtrans-69.3-48.4-177.8-80.5-17316000111.9D1195 S1196 M1197E1193-D1195 VanDerWaalsContact C-N 3.3Å; E1193-D1195 PolarHBondContact O-N 3.02Å; E1193-S1196 WeakPolarHBondContact O-CB 3.35Å; E1193-S1196 PolarHBondContact O-N 3.34Å; E1193-S1196 PolarHBondContact O-OG 2.85Å; E1193-M1197 PolarHBondContact O-N 3.07Å
1194M62.9Low60.8Low49 Ų49103.6 Ų103.624%0.24153%0.533CS..Hα-helixtrans-65.4-34.3179.9-89.4-170.364.600112.9R1114 S1196 M1197 L1198 Q1212 P1213R1114-M1194 VanDerWaalsContact CZ-CB 3.48Å; R1114-M1194 PolarHBondContact NH1-SD 2.94Å; M1194-S1196 VanDerWaalsContact C-N 3.3Å; M1194-M1197 PolarHBondContact O-N 3.08Å; M1194-L1198 PolarHBondContact O-N 2.86Å; M1194-Q1212 HydrophobicContact CE-CB 3.97Å; M1194-Q1212 HydrophobicContact CE-CG 4.16Å; M1194-P1213 HydrophobicContact CE-CG 4.33Å
1195D64.5Low61.4Low48 Ų48103.7 Ų103.726%0.25754%0.536SS..Hα-helixtrans-67.4-35.2176.6-72.12.2000110.7R1114 S1191 E1193 M1197 L1198R1114-D1195 IonicContact CZ-OD1 3.85Å; R1114-D1195 IonicContact NE-OD1 2.56Å; R1114-D1195 PolarHBondContact NE-OD1 2.88Å; R1114-D1195 IonicContact NH2-OD1 2.8Å; R1114-D1195 PolarHBondContact NH2-OD1 2.95Å; S1191-D1195 VanDerWaalsContact O-CG 3.22Å; S1191-D1195 PolarHBondContact O-N 2.81Å; E1193-D1195 VanDerWaalsContact C-N 3.3Å; E1193-D1195 PolarHBondContact O-N 3.02Å; D1195-M1197 VanDerWaalsContact C-N 3.31Å; D1195-M1197 PolarHBondContact O-N 2.79Å; D1195-L1198 PolarHBondContact O-N 2.9Å
1196S64.5Low62.8Low71 Ų71100.1 Ų100.150%0.49752%0.521SS..Hα-helixtrans-66-30.2173.980.20000113.5S1192 E1193 M1194 E1199 S1200S1192-S1196 PolarHBondContact O-N 2.77Å; E1193-S1196 WeakPolarHBondContact O-CB 3.35Å; E1193-S1196 PolarHBondContact O-N 3.34Å; E1193-S1196 PolarHBondContact O-OG 2.85Å; M1194-S1196 VanDerWaalsContact C-N 3.3Å; S1196-E1199 PolarHBondContact O-N 2.81Å; S1196-S1200 PolarHBondContact O-N 2.66Å
1197M65.1Low64.6Low58 Ų5891.5 Ų91.529%0.28648%0.48SS..Hα-helixtrans-70.4-34.2178.6-67.6-174.875.900112.6E1193 M1194 D1195 E1199 S1200 I1204 P1213 T1215E1193-M1197 PolarHBondContact O-N 3.07Å; M1194-M1197 PolarHBondContact O-N 3.08Å; D1195-M1197 VanDerWaalsContact C-N 3.31Å; D1195-M1197 PolarHBondContact O-N 2.79Å; M1197-E1199 VanDerWaalsContact C-N 3.29Å; M1197-E1199 PolarHBondContact O-N 2.9Å; M1197-S1200 PolarHBondContact O-N 3.04Å; M1197-S1200 PolarHBondContact O-OG 3.09Å; M1197-I1204 HydrophobicContact CB-CD1 4.02Å; M1197-I1204 HydrophobicContact CE-CD1 3.62Å; M1197-I1204 HydrophobicContact CE-CG1 4.42Å; M1197-I1204 HydrophobicContact CE-CG2 4.42Å; M1197-I1204 HydrophobicContact CG-CD1 4.49Å; M1197-P1213 HydrophobicContact CB-CG 4.28Å; M1197-T1215 HydrophobicContact CE-CG2 3.81Å; M1197-T1215 HydrophobicContact SD-CG2 3.86Å
1198L63.9Low66.6Low43 Ų4385.3 Ų85.323%0.22545%0.447CS..Hα-helixtrans-71.2-23.1176-83.4148000113.1R1114 L1118 M1194 D1195 P1213R1114-L1198 HydrophobicContact CB-CD1 3.71Å; R1114-L1198 HydrophobicContact CG-CD1 3.76Å; L1118-L1198 HydrophobicContact CD2-CD2 3.41Å; L1118-L1198 VanDerWaalsContact CD2-CD2 3.41Å; L1118-L1198 HydrophobicContact CG-CD2 4.08Å; M1194-L1198 PolarHBondContact O-N 2.86Å; D1195-L1198 PolarHBondContact O-N 2.9Å; L1198-P1213 HydrophobicContact CG-CG 4.48Å
1199E63.7Low68.5Low158 Ų15882 Ų8274%0.73843%0.427SS*.Hα-helixtrans-92.7-7.2174.4-65.3-167.8159.800113.1S1196 M1197S1196-E1199 PolarHBondContact O-N 2.81Å; M1197-E1199 VanDerWaalsContact C-N 3.29Å; M1197-E1199 PolarHBondContact O-N 2.9Å
1200S61.4Low70.5Confident45 Ų4575.2 Ų75.232%0.31539%0.392SS..SBendtrans-70.8138.5-179.479.20000112.1S1196 M1197 T1202S1196-S1200 PolarHBondContact O-N 2.66Å; M1197-S1200 PolarHBondContact O-N 3.04Å; M1197-S1200 PolarHBondContact O-OG 3.09Å; S1200-T1202 PolarHBondContact O-N 3.07Å; S1200-T1202 VanDerWaalsContact O-N 3.16Å; S1200-T1202 PolarHBondContact OG-O 3.34Å; S1200-T1202 PolarHBondContact OG-OG1 2.87Å
1201E58.2Low72.2Confident205 Ų20567 Ų6796%0.95835%0.353SS*.SBendtrans-65.4-14.6176.2-70.2-172.4159.800113.3K1203E1201-K1203 PolarHBondContact O-N 3.07Å
1202T60.6Low73.8Confident99 Ų9965.9 Ų65.961%0.60735%0.345SS*.SBendtrans-75.5117176.139.30000110.8S1200 I1204S1200-T1202 PolarHBondContact O-N 3.07Å; S1200-T1202 VanDerWaalsContact O-N 3.16Å; S1200-T1202 PolarHBondContact OG-O 3.34Å; S1200-T1202 PolarHBondContact OG-OG1 2.87Å; T1202-I1204 VanDerWaalsContact C-N 3.34Å; T1202-I1204 PolarHBondContact O-N 3.34Å
1203K68.3Low75.1Confident207 Ų20762.8 Ų62.890%0.932%0.323SS*.  trans-63.289.4173.5-79.4-172.3176-176.40111E1201E1201-K1203 PolarHBondContact O-N 3.07Å
1204I79.2Confident76.3Confident42 Ų4256.1 Ų56.122%0.21529%0.293CS..PPolyproline II helixtrans-79.8133.7170.8-62.7151000107.8M1197 T1202 I1206 P1213M1197-I1204 HydrophobicContact CB-CD1 4.02Å; M1197-I1204 HydrophobicContact CE-CD1 3.62Å; M1197-I1204 HydrophobicContact CE-CG1 4.42Å; M1197-I1204 HydrophobicContact CE-CG2 4.42Å; M1197-I1204 HydrophobicContact CG-CD1 4.49Å; T1202-I1204 VanDerWaalsContact C-N 3.34Å; T1202-I1204 PolarHBondContact O-N 3.34Å; I1204-I1206 PolarHBondContact O-N 2.78Å; I1204-P1213 HydrophobicContact CB-CB 4.48Å; I1204-P1213 HydrophobicContact CG2-CB 3.78Å
1205P84.3Confident77.3Confident53 Ų5357.8 Ų57.834%0.34431%0.305SS..PPolyproline II helixtrans-60.313417621.4-29.6000110.5I1214 C1228P1205-I1214 HydrophobicContact CB-CD1 4.46Å; P1205-I1214 HydrophobicContact CG-CB 4.36Å; P1205-I1214 WeakPolarHBondContact O-CB 3.41Å; P1205-I1214 WeakPolarHBondContact O-CG1 3.28Å; P1205-I1214 PolarHBondContact O-N 2.8Å; P1205-C1228 HydrophobicContact CB-CB 4.31Å
1206I89.1Confident78.1Confident42 Ų4259.2 Ų59.222%0.21531%0.313CS..BIsolated β-bridgetrans-98.8135.9-178.9-62157.8000108.5Y1096 L1118 I1204 V1208Y1096-I1206 HydrophobicContact CE1-CG2 4.34Å; L1118-I1206 HydrophobicContact CD1-CD1 3.95Å; L1118-I1206 HydrophobicContact CD1-CG1 4.49Å; L1118-I1206 HydrophobicContact CD1-CG2 3.68Å; L1118-I1206 HydrophobicContact CD2-CD1 3.35Å; L1118-I1206 HydrophobicContact CD2-CG1 4.2Å; L1118-I1206 HydrophobicContact CG-CD1 4.24Å; I1204-I1206 PolarHBondContact O-N 2.78Å; I1206-V1208 PolarHBondContact O-N 2.97Å
1207C91.9Very high78.8Confident0 Ų067.1 Ų67.10%033%0.334CS..  trans-70.8113.5174.1177.10000110V1209 T1210 G1211 Q1212 I1214 C1228 Y1230C1207-V1209 PolarHBondContact O-N 2.9Å; C1207-V1209 VanDerWaalsContact O-N 3.14Å; C1207-T1210 WeakPolarHBondContact CB-OG1 3.41Å; C1207-T1210 PolarHBondContact O-N 2.84Å; C1207-T1210 PolarHBondContact SG-OG1 2.83Å; C1207-T1210 VanDerWaalsContact SG-OG1 3.32Å; C1207-G1211 WeakPolarHBondContact O-CA 3.38Å; C1207-G1211 PolarHBondContact O-N 2.86Å; C1207-Q1212 WeakPolarHBondContact CB-O 3.49Å; C1207-Q1212 PolarHBondContact N-O 2.92Å; C1207-I1214 HydrophobicContact CB-CD1 4.18Å; C1207-I1214 HydrophobicContact CB-CG1 3.82Å; C1207-C1228 WeakPolarHBondContact CA-O 3.48Å; C1207-Y1230 HydrophobicContact CB-CD2 3.52Å; C1207-Y1230 HydrophobicContact CB-CE2 3.89Å; C1207-Y1230 HydrophobicContact CB-CG 4.44Å; C1207-Y1230 PolarHBondContact SG-N 3.08Å; C1207-Y1230 VanDerWaalsContact SG-N 3.35Å
1208V91.7Very high79.7Confident0 Ų071.3 Ų71.30%035%0.353CS..THydrogen-bonded Turntrans-62.3-22.7-179.873.10000112.8H1095 I1206 H1227 C1228 A1229 P1241 L1242H1095-V1208 VanDerWaalsContact CD2-CG2 3.45Å; H1095-V1208 WeakPolarHBondContact CD2-CG2 3.5Å; H1095-V1208 WeakPolarHBondContact NE2-CG2 3.36Å; H1095-V1208 PolarHBondContact NE2-O 3.34Å; I1206-V1208 PolarHBondContact O-N 2.97Å; V1208-H1227 HydrophobicContact CB-CB 4.36Å; V1208-H1227 HydrophobicContact CG2-CB 4.4Å; V1208-C1228 WeakPolarHBondContact CG1-O 3.47Å; V1208-C1228 PolarHBondContact N-O 2.88Å; V1208-A1229 HydrophobicContact CG1-CB 4.12Å; V1208-P1241 HydrophobicContact CB-CG 4.45Å; V1208-P1241 HydrophobicContact CG1-CG 3.64Å; V1208-P1241 HydrophobicContact CG2-CG 4.26Å; V1208-L1242 HydrophobicContact CG2-CB 3.94Å
1209V91.5Very high80.9Confident25 Ų2572.9 Ų72.915%0.15236%0.358CS..THydrogen-bonded Turntrans-79.1-39.6177.1-176.10000112.2L1099 C1207 A1229 E1233 I1234 L1237 P1241L1099-V1209 WeakPolarHBondContact CD1-O 3.45Å; C1207-V1209 PolarHBondContact O-N 2.9Å; C1207-V1209 VanDerWaalsContact O-N 3.14Å; V1209-A1229 HydrophobicContact CG2-CB 3.9Å; V1209-E1233 HydrophobicContact CB-CB 4.18Å; V1209-E1233 HydrophobicContact CG1-CB 4.06Å; V1209-I1234 HydrophobicContact CG2-CD1 3.75Å; V1209-L1237 HydrophobicContact CG1-CD1 4.04Å; V1209-L1237 HydrophobicContact CG2-CD1 3.97Å; V1209-P1241 HydrophobicContact CG2-CG 3.94Å
1210T90.1Very high82.2Confident15 Ų1567.5 Ų67.59%0.09233%0.331CS..THydrogen-bonded Turntrans-114.6-12.5-16962.80000114.7Q1103 T1115 C1207 Q1212 E1233Q1103-T1210 PolarHBondContact NE2-O 2.91Å; T1115-T1210 PolarHBondContact OG1-O 3.5Å; C1207-T1210 WeakPolarHBondContact CB-OG1 3.41Å; C1207-T1210 PolarHBondContact O-N 2.84Å; C1207-T1210 PolarHBondContact SG-OG1 2.83Å; C1207-T1210 VanDerWaalsContact SG-OG1 3.32Å; T1210-Q1212 PolarHBondContact O-N 3.22Å; T1210-Q1212 PolarHBondContact O-NE2 2.95Å; T1210-Q1212 VanDerWaalsContact O-NE2 3.08Å; T1210-E1233 HydrophobicContact CG2-CB 4.35Å; T1210-E1233 HydrophobicContact CG2-CG 3.75Å
1211G88.5Confident83.7Confident0 Ų070 Ų700%034%0.339CS..  trans69.18.7-175.200000114.1C1207C1207-G1211 WeakPolarHBondContact O-CA 3.38Å; C1207-G1211 PolarHBondContact O-N 2.86Å
1212Q88.6Confident85.2Confident5 Ų560.3 Ų60.32%0.02329%0.293CS..SBendtrans-93.9146.4-179-53.5-50.8-61.100110.7Y1111 M1194 C1207 T1210 I1214 Y1230Y1111-Q1212 HydrophobicContact CD1-CG 3.91Å; Y1111-Q1212 HydrophobicContact CE1-CG 3.89Å; Y1111-Q1212 PolarHBondContact O-NE2 3.36Å; M1194-Q1212 HydrophobicContact CE-CB 3.97Å; M1194-Q1212 HydrophobicContact CE-CG 4.16Å; C1207-Q1212 WeakPolarHBondContact CB-O 3.49Å; C1207-Q1212 PolarHBondContact N-O 2.92Å; T1210-Q1212 PolarHBondContact O-N 3.22Å; T1210-Q1212 PolarHBondContact O-NE2 2.95Å; T1210-Q1212 VanDerWaalsContact O-NE2 3.08Å; Q1212-I1214 PolarHBondContact O-N 3.21Å; Q1212-Y1230 HydrophobicContact CB-CE2 4.4Å
1213P87.4Confident86.5Confident5 Ų558.9 Ų58.93%0.03229%0.286CS..BIsolated β-bridgetrans-58.5133.717022.3-30.4000109.9M1194 M1197 L1198 I1204 T1215 Y1230M1194-P1213 HydrophobicContact CE-CG 4.33Å; M1197-P1213 HydrophobicContact CB-CG 4.28Å; L1198-P1213 HydrophobicContact CG-CG 4.48Å; I1204-P1213 HydrophobicContact CB-CB 4.48Å; I1204-P1213 HydrophobicContact CG2-CB 3.78Å; P1213-T1215 PolarHBondContact O-N 2.85Å; P1213-Y1230 PolarHBondContact O-OH 3.02Å
1214I87.4Confident87.5Confident9 Ų950.2 Ų50.25%0.04625%0.251CS..  trans-77.5115.3177.5-62.1176.4000108.5P1205 C1207 Q1212 D1216 F1219 C1228 Y1230P1205-I1214 HydrophobicContact CB-CD1 4.46Å; P1205-I1214 HydrophobicContact CG-CB 4.36Å; P1205-I1214 WeakPolarHBondContact O-CB 3.41Å; P1205-I1214 WeakPolarHBondContact O-CG1 3.28Å; P1205-I1214 PolarHBondContact O-N 2.8Å; C1207-I1214 HydrophobicContact CB-CD1 4.18Å; C1207-I1214 HydrophobicContact CB-CG1 3.82Å; Q1212-I1214 PolarHBondContact O-N 3.21Å; I1214-D1216 HydrophobicContact CG2-CB 4.44Å; I1214-F1219 HydrophobicContact CD1-CB 4.01Å; I1214-F1219 HydrophobicContact CD1-CG 4.33Å; I1214-F1219 HydrophobicContact CG2-CB 3.92Å; I1214-F1219 HydrophobicContact CG2-CD1 4.09Å; I1214-F1219 HydrophobicContact CG2-CG 4.26Å; I1214-C1228 HydrophobicContact CD1-CB 3.67Å; I1214-Y1230 WeakPolarHBondContact CA-OH 3.3Å; I1214-Y1230 HydrophobicContact CB-CE1 4.34Å; I1214-Y1230 HydrophobicContact CG1-CD2 4.34Å; I1214-Y1230 HydrophobicContact CG1-CE1 4.49Å; I1214-Y1230 HydrophobicContact CG1-CE2 4.18Å; I1214-Y1230 HydrophobicContact CG2-CD1 4.19Å; I1214-Y1230 HydrophobicContact CG2-CE1 3.94Å
1215T82.7Confident87.9Confident83 Ų8348.4 Ų48.451%0.50924%0.242SC..  trans-98.8-14.7176.754.30000112.8M1197 P1213 Y1230M1197-T1215 HydrophobicContact CE-CG2 3.81Å; M1197-T1215 HydrophobicContact SD-CG2 3.86Å; P1213-T1215 PolarHBondContact O-N 2.85Å; T1215-Y1230 PolarHBondContact N-OH 2.94Å; T1215-Y1230 VanDerWaalsContact N-OH 3.08Å; T1215-Y1230 PolarHBondContact OG1-OH 2.87Å
1216D81.1Confident88.2Confident79 Ų7952 Ų5242%0.42225%0.251SS..SBendtrans-73.5143.2178.2-69-13.3000111.8I1214 Q1218 Y1230I1214-D1216 HydrophobicContact CG2-CB 4.44Å; D1216-Q1218 VanDerWaalsContact C-N 3.26Å; D1216-Q1218 WeakPolarHBondContact CB-O 3.43Å; D1216-Q1218 PolarHBondContact O-N 2.8Å; D1216-Y1230 HydrophobicContact CB-CD1 4.27Å; D1216-Y1230 HydrophobicContact CB-CE1 4.13Å; D1216-Y1230 VanDerWaalsContact OD2-CD1 3.32Å; D1216-Y1230 WeakPolarHBondContact OD2-CD1 3.37Å
1217Y80.6Confident88.3Confident236 Ų23651.5 Ų51.593%0.92525%0.248SC*.SBendtrans-68.6-25.2175.6-116.2-84.5000113.1
1218Q83.6Confident88.3Confident147 Ų14752.3 Ų52.369%0.68725%0.254SS*.  trans-113.6131.6177.6-71.5-177.7-26.900109.6D1216D1216-Q1218 VanDerWaalsContact C-N 3.26Å; D1216-Q1218 WeakPolarHBondContact CB-O 3.43Å; D1216-Q1218 PolarHBondContact O-N 2.8Å
1219F88.9Confident88.3Confident75 Ų7552.3 Ų52.333%0.32925%0.254SS..  trans-150.7152.6179.255.1-95.3000110.2I1214 M1221 C1228 A1229I1214-F1219 HydrophobicContact CD1-CB 4.01Å; I1214-F1219 HydrophobicContact CD1-CG 4.33Å; I1214-F1219 HydrophobicContact CG2-CB 3.92Å; I1214-F1219 HydrophobicContact CG2-CD1 4.09Å; I1214-F1219 HydrophobicContact CG2-CG 4.26Å; F1219-M1221 HydrophobicContact CE2-CE 4.19Å; F1219-C1228 HydrophobicContact CD2-CB 3.78Å; F1219-C1228 HydrophobicContact CE2-CB 4.15Å; F1219-C1228 WeakPolarHBondContact CE2-SG 3.46Å; F1219-A1229 WeakPolarHBondContact CB-O 3.37Å
1220W92Very high88.3Confident45 Ų4552.4 Ų52.417%0.1725%0.252CS..EExtended strand (participates in β ladder)trans-82.7142.6176.8177.592.4000110.6C1222 C1228 A1229 E1231 I1234 C1240 V1247W1220-C1222 VanDerWaalsContact CH2-CA 3.41Å; W1220-C1222 HydrophobicContact CH2-CB 3.39Å; W1220-C1222 HydrophobicContact CZ2-CB 4.18Å; W1220-C1222 HydrophobicContact CZ3-CB 3.65Å; W1220-C1228 CarbonylContact O-C 3.53Å; W1220-C1228 WeakPolarHBondContact O-CA 3.49Å; W1220-A1229 HydrophobicContact CE3-CB 4.07Å; W1220-A1229 PolarHBondContact N-O 2.97Å; W1220-A1229 PolarHBondContact O-N 2.87Å; W1220-E1231 HydrophobicContact CB-CG 4.15Å; W1220-I1234 HydrophobicContact CB-CG2 3.65Å; W1220-I1234 HydrophobicContact CD2-CB 4.38Å; W1220-I1234 HydrophobicContact CD2-CG1 3.8Å; W1220-I1234 HydrophobicContact CD2-CG2 4.02Å; W1220-I1234 HydrophobicContact CE3-CB 4.33Å; W1220-I1234 HydrophobicContact CE3-CD1 4Å; W1220-I1234 HydrophobicContact CE3-CG1 3.65Å; W1220-I1234 HydrophobicContact CE3-CG2 4.43Å; W1220-I1234 HydrophobicContact CG-CG1 4.37Å; W1220-I1234 HydrophobicContact CG-CG2 3.69Å; W1220-I1234 HydrophobicContact CH2-CD1 4.22Å; W1220-I1234 HydrophobicContact CH2-CG1 4.19Å; W1220-I1234 HydrophobicContact CZ2-CG1 4.35Å; W1220-I1234 HydrophobicContact CZ3-CD1 3.77Å; W1220-I1234 HydrophobicContact CZ3-CG1 3.84Å; W1220-C1240 HydrophobicContact CH2-CB 3.83Å; W1220-C1240 HydrophobicContact CZ3-CB 4.5Å; W1220-V1247 HydrophobicContact CH2-CG2 4.24Å; W1220-V1247 HydrophobicContact CZ2-CG1 4.49Å; W1220-V1247 HydrophobicContact CZ2-CG2 3.94Å
1221M92.2Very high88.2Confident98 Ų9856.4 Ų56.448%0.48327%0.269SS..EExtended strand (participates in β ladder)trans-128.6126.9176.1-171.1-167.7-46.700110.4F1219 K1226F1219-M1221 HydrophobicContact CE2-CE 4.19Å; M1221-K1226 WeakPolarHBondContact CG-O 3.26Å; M1221-K1226 HydrophobicContact SD-CB 4.49Å; M1221-K1226 HydrophobicContact SD-CD 4.42Å
1222C89.9Confident88.2Confident1 Ų160.7 Ų60.71%0.00729%0.292CS..  trans-64131.7-178.1-174.20000112.1W1220 T1224 C1225 K1226 H1227 C1243W1220-C1222 VanDerWaalsContact CH2-CA 3.41Å; W1220-C1222 HydrophobicContact CH2-CB 3.39Å; W1220-C1222 HydrophobicContact CZ2-CB 4.18Å; W1220-C1222 HydrophobicContact CZ3-CB 3.65Å; C1222-T1224 VanDerWaalsContact C-N 3.33Å; C1222-T1224 PolarHBondContact O-N 2.84Å; C1222-C1225 WeakPolarHBondContact CB-SG 3.38Å; C1222-C1225 VanDerWaalsContact SG-SG 3.65Å; C1222-K1226 VanDerWaalsContact O-CA 3.24Å; C1222-K1226 WeakPolarHBondContact O-CA 3.38Å; C1222-K1226 PolarHBondContact O-N 2.88Å; C1222-H1227 PolarHBondContact N-O 2.83Å; C1222-C1243 PolarHBondContact SG-SG 2.88Å
1223P88.5Confident88.2Confident70 Ų7063 Ų6346%0.45530%0.303SS..THydrogen-bonded Turntrans-61.8-38.1178.8-23.733.6000113.6K1226 F1245P1223-K1226 WeakPolarHBondContact O-CE 3.47Å; P1223-K1226 PolarHBondContact O-NZ 3.21Å; P1223-F1245 HydrophobicContact CB-CE1 4.25Å; P1223-F1245 HydrophobicContact CB-CZ 4.37Å; P1223-F1245 HydrophobicContact CG-CD1 4.11Å; P1223-F1245 HydrophobicContact CG-CE1 3.68Å; P1223-F1245 HydrophobicContact CG-CZ 4.22Å
1224T88.2Confident88.3Confident25 Ų2562.9 Ų62.915%0.15330%0.302CS..THydrogen-bonded Turntrans-80.4-64.8-179.7-45.80000112.5L999 E1002 W1088 C1222 F1245L999-T1224 HydrophobicContact CD2-CG2 3.76Å; E1002-T1224 HydrophobicContact CG-CG2 4.2Å; W1088-T1224 HydrophobicContact CH2-CG2 4.33Å; W1088-T1224 HydrophobicContact CZ2-CG2 4.04Å; C1222-T1224 VanDerWaalsContact C-N 3.33Å; C1222-T1224 PolarHBondContact O-N 2.84Å; T1224-F1245 WeakPolarHBondContact OG1-CD2 3.42Å; T1224-F1245 WeakPolarHBondContact OG1-CG 3.26Å
1225C88.7Confident88.3Confident4 Ų467.5 Ų67.53%0.02733%0.331CS..THydrogen-bonded Turntrans-88.8-4.5-17370.30000115.9W1088 C1222 H1227 L1242 C1243W1088-C1225 HydrophobicContact CD2-CB 3.61Å; W1088-C1225 HydrophobicContact CE3-CB 3.82Å; W1088-C1225 HydrophobicContact CG-CB 4.15Å; W1088-C1225 HydrophobicContact CH2-CB 4.1Å; W1088-C1225 HydrophobicContact CZ2-CB 3.89Å; W1088-C1225 HydrophobicContact CZ3-CB 4.06Å; C1222-C1225 WeakPolarHBondContact CB-SG 3.38Å; C1222-C1225 VanDerWaalsContact SG-SG 3.65Å; C1225-H1227 PolarHBondContact O-N 2.9Å; C1225-H1227 PolarHBondContact O-ND1 3.46Å; C1225-L1242 HydrophobicContact CB-CD2 4.3Å; C1225-C1243 HydrophobicContact CB-CB 3.86Å; C1225-C1243 VanDerWaalsContact SG-SG 3.69Å
1226K90Very high88.6Confident127 Ų12770 Ų7055%0.55234%0.335SS*.  trans58.912-179-50.7-56.7-174.2-164.90116.7M1221 C1222 P1223M1221-K1226 WeakPolarHBondContact CG-O 3.26Å; M1221-K1226 HydrophobicContact SD-CB 4.49Å; M1221-K1226 HydrophobicContact SD-CD 4.42Å; C1222-K1226 VanDerWaalsContact O-CA 3.24Å; C1222-K1226 WeakPolarHBondContact O-CA 3.38Å; C1222-K1226 PolarHBondContact O-N 2.88Å; P1223-K1226 WeakPolarHBondContact O-CE 3.47Å; P1223-K1226 PolarHBondContact O-NZ 3.21Å
1227H90.6Very high88.9Confident32 Ų3269.4 Ų69.415%0.14833%0.331CS..  trans-80.7148.7174.8-70.363.7000111.6E1092 V1208 C1222 C1225 L1242E1092-H1227 VanDerWaalsContact CD-NE2 3.35Å; E1092-H1227 IonicContact OE1-CD2 3.57Å; E1092-H1227 IonicContact OE1-NE2 3.98Å; E1092-H1227 IonicContact OE2-NE2 3.72Å; V1208-H1227 HydrophobicContact CB-CB 4.36Å; V1208-H1227 HydrophobicContact CG2-CB 4.4Å; C1222-H1227 PolarHBondContact N-O 2.83Å; C1225-H1227 PolarHBondContact O-N 2.9Å; C1225-H1227 PolarHBondContact O-ND1 3.46Å; H1227-L1242 HydrophobicContact CB-CD2 4.26Å; H1227-L1242 VanDerWaalsContact CE1-CD2 3.48Å; H1227-L1242 WeakPolarHBondContact CE1-CD2 3.31Å; H1227-L1242 WeakPolarHBondContact ND1-CD2 3.48Å
1228C93Very high89.3Confident17 Ų1766.1 Ų66.112%0.11532%0.324CS..EExtended strand (participates in β ladder)trans-99.9153.2-172.1-580000112.3P1205 C1207 V1208 I1214 F1219 W1220P1205-C1228 HydrophobicContact CB-CB 4.31Å; C1207-C1228 WeakPolarHBondContact CA-O 3.48Å; V1208-C1228 WeakPolarHBondContact CG1-O 3.47Å; V1208-C1228 PolarHBondContact N-O 2.88Å; I1214-C1228 HydrophobicContact CD1-CB 3.67Å; F1219-C1228 HydrophobicContact CD2-CB 3.78Å; F1219-C1228 HydrophobicContact CE2-CB 4.15Å; F1219-C1228 WeakPolarHBondContact CE2-SG 3.46Å; W1220-C1228 CarbonylContact O-C 3.53Å; W1220-C1228 WeakPolarHBondContact O-CA 3.49Å
1229A91.3Very high89.6Confident0 Ų062.4 Ų62.40%031%0.309CS..EExtended strand (participates in β ladder)trans-144.4153.2171.800000110.6V1208 V1209 F1219 W1220 E1231 I1234V1208-A1229 HydrophobicContact CG1-CB 4.12Å; V1209-A1229 HydrophobicContact CG2-CB 3.9Å; F1219-A1229 WeakPolarHBondContact CB-O 3.37Å; W1220-A1229 HydrophobicContact CE3-CB 4.07Å; W1220-A1229 PolarHBondContact N-O 2.97Å; W1220-A1229 PolarHBondContact O-N 2.87Å; A1229-E1231 PolarHBondContact O-N 3.03Å; A1229-I1234 HydrophobicContact CB-CB 3.86Å; A1229-I1234 HydrophobicContact CB-CD1 4.07Å; A1229-I1234 HydrophobicContact CB-CG1 4.27Å
1230Y91.3Very high89.7Confident28 Ų2858.8 Ų58.811%0.1129%0.293CS..  trans-59.6132.5165.4-72.7-75.3000109.6C1207 Q1212 P1213 I1214 T1215 D1216 N1232 E1233 I1234C1207-Y1230 HydrophobicContact CB-CD2 3.52Å; C1207-Y1230 HydrophobicContact CB-CE2 3.89Å; C1207-Y1230 HydrophobicContact CB-CG 4.44Å; C1207-Y1230 PolarHBondContact SG-N 3.08Å; C1207-Y1230 VanDerWaalsContact SG-N 3.35Å; Q1212-Y1230 HydrophobicContact CB-CE2 4.4Å; P1213-Y1230 PolarHBondContact O-OH 3.02Å; I1214-Y1230 WeakPolarHBondContact CA-OH 3.3Å; I1214-Y1230 HydrophobicContact CB-CE1 4.34Å; I1214-Y1230 HydrophobicContact CG1-CD2 4.34Å; I1214-Y1230 HydrophobicContact CG1-CE1 4.49Å; I1214-Y1230 HydrophobicContact CG1-CE2 4.18Å; I1214-Y1230 HydrophobicContact CG2-CD1 4.19Å; I1214-Y1230 HydrophobicContact CG2-CE1 3.94Å; T1215-Y1230 PolarHBondContact N-OH 2.94Å; T1215-Y1230 VanDerWaalsContact N-OH 3.08Å; T1215-Y1230 PolarHBondContact OG1-OH 2.87Å; D1216-Y1230 HydrophobicContact CB-CD1 4.27Å; D1216-Y1230 HydrophobicContact CB-CE1 4.13Å; D1216-Y1230 VanDerWaalsContact OD2-CD1 3.32Å; D1216-Y1230 WeakPolarHBondContact OD2-CD1 3.37Å; Y1230-N1232 VanDerWaalsContact C-N 3.32Å; Y1230-N1232 WeakPolarHBondContact CB-OD1 3.3Å; Y1230-N1232 PolarHBondContact O-N 3.2Å; Y1230-E1233 PolarHBondContact O-N 3.05Å; Y1230-I1234 PolarHBondContact O-N 2.88Å
1231E88.1Confident89.6Confident98 Ų9857.8 Ų57.846%0.45829%0.292SS..Hα-helixtrans-57.7-44.2-175.5-89.8-174.815900112.1W1220 A1229 E1233 I1234 T1235W1220-E1231 HydrophobicContact CB-CG 4.15Å; A1229-E1231 PolarHBondContact O-N 3.03Å; E1231-E1233 PolarHBondContact O-N 3.02Å; E1231-I1234 WeakPolarHBondContact O-CG2 3.36Å; E1231-I1234 PolarHBondContact O-N 2.91Å; E1231-T1235 VanDerWaalsContact O-CG2 3.27Å; E1231-T1235 WeakPolarHBondContact O-CG2 3.28Å; E1231-T1235 PolarHBondContact O-N 2.84Å; E1231-T1235 VanDerWaalsContact O-N 3.13Å; E1231-T1235 PolarHBondContact O-OG1 3.25Å; E1231-T1235 VanDerWaalsContact O-OG1 3.09Å
1232N88Confident89.6Confident91 Ų9153.1 Ų53.149%0.48727%0.269SS..Hα-helixtrans-63.7-25.5177.857.3-1.4000114Y1230 T1235 K1236Y1230-N1232 VanDerWaalsContact C-N 3.32Å; Y1230-N1232 WeakPolarHBondContact CB-OD1 3.3Å; Y1230-N1232 PolarHBondContact O-N 3.2Å; N1232-T1235 PolarHBondContact O-OG1 3.23Å; N1232-K1236 VanDerWaalsContact O-CE 3.24Å; N1232-K1236 WeakPolarHBondContact O-CE 3.19Å
1233E88.8Confident89.5Confident53 Ų5353.4 Ų53.425%0.24827%0.271CS..Hα-helixtrans-88.2-38.4177.9-68.7-59.9150.200112V1209 T1210 Y1230 E1231 K1236V1209-E1233 HydrophobicContact CB-CB 4.18Å; V1209-E1233 HydrophobicContact CG1-CB 4.06Å; T1210-E1233 HydrophobicContact CG2-CB 4.35Å; T1210-E1233 HydrophobicContact CG2-CG 3.75Å; Y1230-E1233 PolarHBondContact O-N 3.05Å; E1231-E1233 PolarHBondContact O-N 3.02Å; E1233-K1236 WeakPolarHBondContact O-CB 3.33Å; E1233-K1236 PolarHBondContact O-N 2.79Å; E1233-K1236 IonicContact OE1-NZ 3.65Å; E1233-K1236 PolarHBondContact OE1-NZ 3.07Å; E1233-K1236 IonicContact OE2-NZ 3.7Å; E1233-K1236 PolarHBondContact OE2-NZ 3.36Å
1234I90.1Very high89.6Confident2 Ų253.7 Ų53.71%0.0127%0.266CS..Hα-helixtrans-72.3-32.8-179.8-160.769000112.3V1209 W1220 A1229 Y1230 E1231 K1236 L1237 V1247V1209-I1234 HydrophobicContact CG2-CD1 3.75Å; W1220-I1234 HydrophobicContact CB-CG2 3.65Å; W1220-I1234 HydrophobicContact CD2-CB 4.38Å; W1220-I1234 HydrophobicContact CD2-CG1 3.8Å; W1220-I1234 HydrophobicContact CD2-CG2 4.02Å; W1220-I1234 HydrophobicContact CE3-CB 4.33Å; W1220-I1234 HydrophobicContact CE3-CD1 4Å; W1220-I1234 HydrophobicContact CE3-CG1 3.65Å; W1220-I1234 HydrophobicContact CE3-CG2 4.43Å; W1220-I1234 HydrophobicContact CG-CG1 4.37Å; W1220-I1234 HydrophobicContact CG-CG2 3.69Å; W1220-I1234 HydrophobicContact CH2-CD1 4.22Å; W1220-I1234 HydrophobicContact CH2-CG1 4.19Å; W1220-I1234 HydrophobicContact CZ2-CG1 4.35Å; W1220-I1234 HydrophobicContact CZ3-CD1 3.77Å; W1220-I1234 HydrophobicContact CZ3-CG1 3.84Å; A1229-I1234 HydrophobicContact CB-CB 3.86Å; A1229-I1234 HydrophobicContact CB-CD1 4.07Å; A1229-I1234 HydrophobicContact CB-CG1 4.27Å; Y1230-I1234 PolarHBondContact O-N 2.88Å; E1231-I1234 WeakPolarHBondContact O-CG2 3.36Å; E1231-I1234 PolarHBondContact O-N 2.91Å; I1234-K1236 PolarHBondContact O-N 2.86Å; I1234-K1236 VanDerWaalsContact O-N 3.1Å; I1234-L1237 PolarHBondContact O-N 3.14Å; I1234-L1237 VanDerWaalsContact O-O 3.06Å; I1234-V1247 HydrophobicContact CD1-CG2 4.17Å; I1234-V1247 HydrophobicContact CG1-CG1 4.18Å; I1234-V1247 HydrophobicContact CG1-CG2 3.84Å
1235T87.7Confident89.5Confident106 Ų10655.9 Ų55.965%0.6527%0.274SS*.THydrogen-bonded Turntrans-64.1-15.3177.3520000113.1E1231 N1232 L1237E1231-T1235 VanDerWaalsContact O-CG2 3.27Å; E1231-T1235 WeakPolarHBondContact O-CG2 3.28Å; E1231-T1235 PolarHBondContact O-N 2.84Å; E1231-T1235 VanDerWaalsContact O-N 3.13Å; E1231-T1235 PolarHBondContact O-OG1 3.25Å; E1231-T1235 VanDerWaalsContact O-OG1 3.09Å; N1232-T1235 PolarHBondContact O-OG1 3.23Å; T1235-L1237 VanDerWaalsContact C-N 3.29Å
1236K88.9Confident89.3Confident137 Ų13758.9 Ų58.960%0.59629%0.293SS*.THydrogen-bonded Turntrans-80.1-10173.5-58.8173.4-169.2162.60112.8N1232 E1233 I1234N1232-K1236 VanDerWaalsContact O-CE 3.24Å; N1232-K1236 WeakPolarHBondContact O-CE 3.19Å; E1233-K1236 WeakPolarHBondContact O-CB 3.33Å; E1233-K1236 PolarHBondContact O-N 2.79Å; E1233-K1236 IonicContact OE1-NZ 3.65Å; E1233-K1236 PolarHBondContact OE1-NZ 3.07Å; E1233-K1236 IonicContact OE2-NZ 3.7Å; E1233-K1236 PolarHBondContact OE2-NZ 3.36Å; I1234-K1236 PolarHBondContact O-N 2.86Å; I1234-K1236 VanDerWaalsContact O-N 3.1Å
1237L86.4Confident88.8Confident66 Ų6654.1 Ų54.135%0.34627%0.274SS..  trans-116.5137.1-178.2-61.7176.1000110V1209 I1234 T1235 N1239 P1241V1209-L1237 HydrophobicContact CG1-CD1 4.04Å; V1209-L1237 HydrophobicContact CG2-CD1 3.97Å; I1234-L1237 PolarHBondContact O-N 3.14Å; I1234-L1237 VanDerWaalsContact O-O 3.06Å; T1235-L1237 VanDerWaalsContact C-N 3.29Å; L1237-N1239 VanDerWaalsContact C-N 3.28Å; L1237-N1239 PolarHBondContact O-N 3.47Å; L1237-P1241 HydrophobicContact CD1-CB 4.19Å; L1237-P1241 HydrophobicContact CD1-CG 4.3Å
1238H88.7Confident87.8Confident167 Ų16764.3 Ų64.377%0.77332%0.322SS*.SBendtrans-72.3-23.8176-67.3-59.6000113.3V1247H1238-V1247 PolarHBondContact O-N 3.15Å
1239N91.1Very high87.6Confident68 Ų6866.7 Ų66.736%0.36433%0.332SS..BIsolated β-bridgetrans-136.6149.6-174.1-63-15.3000110.1L1237 F1245 P1246L1237-N1239 VanDerWaalsContact C-N 3.28Å; L1237-N1239 PolarHBondContact O-N 3.47Å; N1239-F1245 CarbonylContact C-O 3.45Å; N1239-F1245 VanDerWaalsContact CA-O 3.32Å; N1239-F1245 WeakPolarHBondContact CA-O 3.39Å; N1239-P1246 WeakPolarHBondContact OD1-CA 3.44Å
1240C90.2Very high87.4Confident0 Ų070.2 Ų70.20%035%0.35CS..  trans-52.3124.7171.1-177.70000109.6W1220 L1242 H1244 F1245W1220-C1240 HydrophobicContact CH2-CB 3.83Å; W1220-C1240 HydrophobicContact CZ3-CB 4.5Å; C1240-L1242 PolarHBondContact O-N 3.22Å; C1240-L1242 VanDerWaalsContact O-N 3.1Å; C1240-H1244 WeakPolarHBondContact O-CA 3.32Å; C1240-H1244 PolarHBondContact O-N 2.91Å; C1240-F1245 HydrophobicContact CB-CB 4.36Å; C1240-F1245 PolarHBondContact N-O 3.32Å
1241P90.3Very high87.1Confident23 Ų2372.5 Ų72.515%0.14936%0.363CS..THydrogen-bonded Turntrans-67.1-16.6-175.129-38.1000113.3K991 V1208 V1209 L1237K991-P1241 PolarHBondContact NZ-O 3.18Å; V1208-P1241 HydrophobicContact CB-CG 4.45Å; V1208-P1241 HydrophobicContact CG1-CG 3.64Å; V1208-P1241 HydrophobicContact CG2-CG 4.26Å; V1209-P1241 HydrophobicContact CG2-CG 3.94Å; L1237-P1241 HydrophobicContact CD1-CB 4.19Å; L1237-P1241 HydrophobicContact CD1-CG 4.3Å
1242L91.5Very high87.1Confident0 Ų071 Ų710%036%0.358CS..THydrogen-bonded Turntrans-87.9-62.9176.8-17364.3000112.3V995 A1091 H1095 V1208 C1225 H1227 C1240V995-L1242 VanDerWaalsContact CG2-O 3.24Å; V995-L1242 WeakPolarHBondContact CG2-O 3.29Å; A1091-L1242 HydrophobicContact CB-CD1 3.91Å; H1095-L1242 HydrophobicContact CB-CD1 3.82Å; V1208-L1242 HydrophobicContact CG2-CB 3.94Å; C1225-L1242 HydrophobicContact CB-CD2 4.3Å; H1227-L1242 HydrophobicContact CB-CD2 4.26Å; H1227-L1242 VanDerWaalsContact CE1-CD2 3.48Å; H1227-L1242 WeakPolarHBondContact CE1-CD2 3.31Å; H1227-L1242 WeakPolarHBondContact ND1-CD2 3.48Å; C1240-L1242 PolarHBondContact O-N 3.22Å; C1240-L1242 VanDerWaalsContact O-N 3.1Å
1243C89.1Confident87Confident7 Ų769.8 Ų69.85%0.04735%0.35CS..THydrogen-bonded Turntrans-103.20.8-172.174.40000115W1088 C1222 C1225 F1245W1088-C1243 HydrophobicContact CE3-CB 4.3Å; W1088-C1243 HydrophobicContact CH2-CB 3.46Å; W1088-C1243 VanDerWaalsContact CH2-CB 3.46Å; W1088-C1243 HydrophobicContact CZ2-CB 4.44Å; W1088-C1243 HydrophobicContact CZ3-CB 3.36Å; C1222-C1243 PolarHBondContact SG-SG 2.88Å; C1225-C1243 HydrophobicContact CB-CB 3.86Å; C1225-C1243 VanDerWaalsContact SG-SG 3.69Å; C1243-F1245 PolarHBondContact O-N 3.41Å
1244H88.8Confident86.9Confident77 Ų7770.9 Ų70.936%0.35636%0.356SS..  trans60.319.6-178-63.3-89.4000115.9C1240C1240-H1244 WeakPolarHBondContact O-CA 3.32Å; C1240-H1244 PolarHBondContact O-N 2.91Å
1245F87Confident86.7Confident71 Ų7175.8 Ų75.831%0.31138%0.381SS..  trans-63.8132.8171.1-174.2-94.3000110P1223 T1224 N1239 C1240 C1243 V1247P1223-F1245 HydrophobicContact CB-CE1 4.25Å; P1223-F1245 HydrophobicContact CB-CZ 4.37Å; P1223-F1245 HydrophobicContact CG-CD1 4.11Å; P1223-F1245 HydrophobicContact CG-CE1 3.68Å; P1223-F1245 HydrophobicContact CG-CZ 4.22Å; T1224-F1245 WeakPolarHBondContact OG1-CD2 3.42Å; T1224-F1245 WeakPolarHBondContact OG1-CG 3.26Å; N1239-F1245 CarbonylContact C-O 3.45Å; N1239-F1245 VanDerWaalsContact CA-O 3.32Å; N1239-F1245 WeakPolarHBondContact CA-O 3.39Å; C1240-F1245 HydrophobicContact CB-CB 4.36Å; C1240-F1245 PolarHBondContact N-O 3.32Å; C1243-F1245 PolarHBondContact O-N 3.41Å; F1245-V1247 PolarHBondContact O-N 2.99Å
1246P84.6Confident86.6Confident67 Ų6773.5 Ų73.544%0.43536%0.36SS..BIsolated β-bridgetrans-57125.3179.2-21.631.4000111.5N1239 Q1248N1239-P1246 WeakPolarHBondContact OD1-CA 3.44Å; P1246-Q1248 PolarHBondContact O-N 3.31Å
1247V80Confident86.4Confident26 Ų2668.2 Ų68.216%0.15834%0.341CS..  trans-79.5115.2170-176.40000105.7W1220 I1234 H1238 F1245W1220-V1247 HydrophobicContact CH2-CG2 4.24Å; W1220-V1247 HydrophobicContact CZ2-CG1 4.49Å; W1220-V1247 HydrophobicContact CZ2-CG2 3.94Å; I1234-V1247 HydrophobicContact CD1-CG2 4.17Å; I1234-V1247 HydrophobicContact CG1-CG1 4.18Å; I1234-V1247 HydrophobicContact CG1-CG2 3.84Å; H1238-V1247 PolarHBondContact O-N 3.15Å; F1245-V1247 PolarHBondContact O-N 2.99Å
1248Q69.2Low86.4Confident246 Ų24668.4 Ų68.4100%1.1534%0.34SS*.  trans-810178.5-73.1-173.8-17.800111.8P1246P1246-Q1248 PolarHBondContact O-N 3.31Å

Retrieved 1,248 of 1,248 residues in 393.2 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).