A0A087X011_HUMAN Loading...

Kinesin-like protein

Microtubule-based anterograde translocator for membranous organelles. Plus end-directed microtubule sliding activity in vitro. Plays a role in primary cilia formation. Plays a role in centriole cohesion and subdistal appendage organization and function. Regulates the formation of the subdistal appendage via recruitment of DCTN1 to the centriole. Also required for ciliary basal feet formation and microtubule anchoring to mother centriole.

AlphaFold DB , UniProt , Accession A0A087X011, Species HUMAN (Homo sapiens, Human), Gene KIF3A, Length 725 aa.

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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
1M35.7Very low36.7Very low235 Ų235148.5 Ų148.5100%1.15879%0.792SS**  0134.40-68.5166.7177.600107.2
2P33.5Very low38.4Very low122 Ų122140.9 Ų140.979%0.79276%0.759SS**PPolyproline II helixtrans-66.8144.5176.229.4-34.1000110.3
3I35.9Very low41.4Very low163 Ų163134.5 Ų134.584%0.83672%0.724SS**PPolyproline II helixtrans-79.1124172.8-64.2166.1000107K5I3-K5 PolarHBondContact O-N 2.75Å
4N33.5Very low44.7Very low151 Ų151130.4 Ų130.481%0.80770%0.702SS**PPolyproline II helixtrans-58122.5172.6-862.6000109.1
5K37.6Very low47.9Very low203 Ų203121.8 Ų121.888%0.88366%0.655SS**PPolyproline II helixtrans-60.5142.9170.6-76.6-177.4173.9-179.80108.9I3 E7I3-K5 PolarHBondContact O-N 2.75Å; K5-E7 PolarHBondContact O-N 2.97Å
6S38.3Very low50.8Low115 Ų115120.5 Ų120.580%0.80464%0.642SS**PPolyproline II helixtrans-57.1126.5-175.9510000112.4K8S6-K8 PolarHBondContact O-N 3.15Å
7E34.1Very low53.5Low185 Ų185113.4 Ų113.486%0.86460%0.604SS**PPolyproline II helixtrans-55.4133.3159.6-63.1178.1149.900108.9K5K5-E7 PolarHBondContact O-N 2.97Å
8K32.3Very low55.9Low139 Ų139107.3 Ų107.360%0.60457%0.572SS**PPolyproline II helixtrans-61.9135.3167.5-70.8-176.1-178-175.80107.9S6 E10 E369S6-K8 PolarHBondContact O-N 3.15Å; K8-E10 PolarHBondContact O-N 2.81Å; K8-E369 IonicContact NZ-OE1 3.52Å; K8-E369 PolarHBondContact NZ-OE1 2.96Å; K8-E369 IonicContact NZ-OE2 2.81Å; K8-E369 PolarHBondContact NZ-OE2 2.79Å
9P32.9Very low58.2Low122 Ų122101.7 Ų101.779%0.79254%0.542SS*.PPolyproline II helixtrans-61.8126.1176.825.6-33.4000110.1S11P9-S11 PolarHBondContact O-N 3.49Å
10E43.8Very low60.1Low92 Ų9297.5 Ų97.543%0.4352%0.518SS..PPolyproline II helixtrans-52.6130.5166.8-69.8-172.3115.600109.1K8 C12 K348 R350K8-E10 PolarHBondContact O-N 2.81Å; E10-C12 VanDerWaalsContact C-N 3.33Å; E10-C12 PolarHBondContact O-N 2.92Å; E10-K348 IonicContact OE2-NZ 4Å; E10-K348 PolarHBondContact OE2-NZ 2.9Å; E10-R350 IonicContact OE1-CZ 2.71Å; E10-R350 IonicContact OE1-NE 2.69Å; E10-R350 IonicContact OE1-NH2 3.16Å; E10-R350 PolarHBondContact OE1-NH2 3.1Å; E10-R350 IonicContact OE2-NH2 3.86Å
11S46.4Very low61.9Low106 Ų10692.9 Ų92.974%0.74149%0.494SS*.  trans-66.79217654.20000110P9 D13P9-S11 PolarHBondContact O-N 3.49Å; S11-D13 PolarHBondContact O-N 2.94Å
12C56.3Low64.7Low58 Ų5883.6 Ų83.639%0.39245%0.446SS..  trans-67.1101.6173.1-66.20000109E10 N14 K346E10-C12 VanDerWaalsContact C-N 3.33Å; E10-C12 PolarHBondContact O-N 2.92Å; C12-N14 PolarHBondContact O-N 3.42Å; C12-N14 VanDerWaalsContact O-N 3.14Å; C12-K346 HydrophobicContact CB-CB 4.38Å; C12-K346 HydrophobicContact CB-CD 4.44Å
13D77.6Confident67.6Low57 Ų5780.9 Ų80.931%0.30543%0.428SS..EExtended strand (participates in β ladder)trans-67.3108.1170.7-88.8-31.5000108.6S11 K315 N347S11-D13 PolarHBondContact O-N 2.94Å; D13-K315 WeakPolarHBondContact OD2-CE 3.44Å; D13-K315 WeakPolarHBondContact OD2-CG 3.24Å; D13-N347 PolarHBondContact N-O 3.36Å; D13-N347 WeakPolarHBondContact O-CB 3.39Å; D13-N347 PolarHBondContact O-N 3.32Å
14N87.5Confident70.3Confident78 Ų7874.8 Ų74.842%0.41740%0.397SS..EExtended strand (participates in β ladder)trans-64.2147.7168.6-72.36000109.8C12 K16 I345C12-N14 PolarHBondContact O-N 3.42Å; C12-N14 VanDerWaalsContact O-N 3.14Å; N14-K16 PolarHBondContact O-N 3.14Å; N14-K16 VanDerWaalsContact O-N 3.13Å; N14-I345 CarbonylContact C-O 3.55Å; N14-I345 VanDerWaalsContact CA-O 3.32Å; N14-I345 WeakPolarHBondContact CA-O 3.23Å
15V93.1Very high72.9Confident1 Ų170.4 Ų70.41%0.00637%0.373CS..PPolyproline II helixtrans-60.9117.1170174.10000109T316 I345V15-T316 HydrophobicContact CG1-CG2 4.05Å; V15-T316 HydrophobicContact CG2-CG2 4.44Å; V15-I345 HydrophobicContact CB-CB 4.25Å; V15-I345 HydrophobicContact CG2-CB 3.71Å; V15-I345 HydrophobicContact CG2-CD1 4.48Å; V15-I345 HydrophobicContact CG2-CG2 3.77Å; V15-I345 PolarHBondContact N-O 3.1Å
16K94.9Very high75.4Confident101 Ų10168.7 Ų68.744%0.43937%0.369SS..EExtended strand (participates in β ladder)trans-73.7129.6-179.7-66.1-174.7179.7-179.10109.5N14 T316 M317 M318N14-K16 PolarHBondContact O-N 3.14Å; N14-K16 VanDerWaalsContact O-N 3.13Å; K16-T316 PolarHBondContact N-O 2.97Å; K16-M317 HydrophobicContact CB-CB 4.45Å; K16-M317 HydrophobicContact CB-CG 4.35Å; K16-M317 CarbonylContact O-C 3.54Å; K16-M317 VanDerWaalsContact O-CA 3.31Å; K16-M317 WeakPolarHBondContact O-CA 3.48Å; K16-M318 PolarHBondContact O-N 2.93Å
17V96.5Very high77.7Confident0 Ų071.5 Ų71.50%036%0.362CS..EExtended strand (participates in β ladder)trans-118.7120.3-178.5179.40000110V19 F63 D64 M318 A339 A342 K343V17-V19 HydrophobicContact CG1-CG2 4.49Å; V17-F63 HydrophobicContact CB-CD1 4.32Å; V17-F63 HydrophobicContact CG1-CD1 3.58Å; V17-F63 HydrophobicContact CG1-CE1 4.06Å; V17-D64 PolarHBondContact N-OD2 3.33Å; V17-D64 PolarHBondContact O-N 2.86Å; V17-M318 HydrophobicContact CG2-CB 4.3Å; V17-A339 HydrophobicContact CG1-CB 3.72Å; V17-A342 HydrophobicContact CG2-CB 4.12Å; V17-K343 HydrophobicContact CB-CB 4.24Å; V17-K343 HydrophobicContact CB-CG 4.46Å; V17-K343 HydrophobicContact CG2-CB 3.79Å; V17-K343 HydrophobicContact CG2-CG 4.36Å
18V96.9Very high80.4Confident4 Ų463.2 Ų63.22%0.02432%0.323CS..EExtended strand (participates in β ladder)trans-121.3143.8177.1-53.30000109.7T65 F67 T80 M317 M318 C319 A320V18-T65 VanDerWaalsContact CA-O 3.25Å; V18-T65 WeakPolarHBondContact CA-O 3.16Å; V18-F67 HydrophobicContact CB-CE2 4.23Å; V18-T80 HydrophobicContact CB-CG2 4.15Å; V18-T80 HydrophobicContact CG1-CG2 3.78Å; V18-T80 HydrophobicContact CG2-CG2 4.01Å; V18-M317 HydrophobicContact CG2-CG 4.43Å; V18-M317 HydrophobicContact CG2-SD 3.67Å; V18-M318 PolarHBondContact N-O 3.02Å; V18-C319 HydrophobicContact CG2-CB 4.07Å; V18-C319 CarbonylContact O-C 3.59Å; V18-C319 WeakPolarHBondContact O-CA 3.47Å; V18-A320 PolarHBondContact O-N 2.99Å
19V98.1Very high83.1Confident0 Ų062.4 Ų62.40%032%0.32CS..EExtended strand (participates in β ladder)trans-125.9133.8-174.9-170.90000110.4V17 I46 F63 T65 V66 F67 A320 I322 L336V17-V19 HydrophobicContact CG1-CG2 4.49Å; V19-I46 HydrophobicContact CB-CD1 3.52Å; V19-I46 HydrophobicContact CG1-CD1 3.3Å; V19-I46 HydrophobicContact CG2-CD1 4.39Å; V19-F63 HydrophobicContact CB-CD2 4.21Å; V19-F63 HydrophobicContact CB-CE2 4.5Å; V19-F63 HydrophobicContact CB-CG 4.5Å; V19-F63 HydrophobicContact CG2-CB 4.05Å; V19-F63 HydrophobicContact CG2-CD1 3.68Å; V19-F63 HydrophobicContact CG2-CD2 3.39Å; V19-F63 HydrophobicContact CG2-CE1 3.91Å; V19-F63 HydrophobicContact CG2-CE2 3.62Å; V19-F63 HydrophobicContact CG2-CG 3.4Å; V19-F63 HydrophobicContact CG2-CZ 3.88Å; V19-T65 PolarHBondContact N-O 2.82Å; V19-T65 VanDerWaalsContact N-O 3.07Å; V19-V66 HydrophobicContact CB-CG1 4.42Å; V19-V66 CarbonylContact O-C 3.53Å; V19-V66 WeakPolarHBondContact O-CA 3.42Å; V19-F67 PolarHBondContact O-N 3.35Å; V19-A320 CarbonylContact C-O 3.56Å; V19-A320 WeakPolarHBondContact CA-O 3.27Å; V19-A320 HydrophobicContact CB-CB 4.49Å; V19-A320 HydrophobicContact CG1-CB 4.21Å; V19-A320 WeakPolarHBondContact CG1-O 2.89Å; V19-A320 HydrophobicContact CG2-CB 4.09Å; V19-I322 HydrophobicContact CG1-CD1 4.01Å; V19-I322 HydrophobicContact CG1-CG1 4.24Å; V19-I322 HydrophobicContact CG1-CG2 4.33Å; V19-L336 HydrophobicContact CG1-CD2 3.89Å; V19-L336 HydrophobicContact CG2-CD2 4.49Å
20R97.7Very high85.9Confident17 Ų1761 Ų616%0.06431%0.312CS..EExtended strand (participates in β ladder)trans-125.5116.7-176.6-173.1176.1-165.5-168.211.5111.4F67 S71 Q73 T109 A320 N321 I322R20-F67 HydrophobicContact CB-CB 4.18Å; R20-F67 HydrophobicContact CG-CB 3.94Å; R20-S71 PolarHBondContact NH2-O 3.07Å; R20-S71 VanDerWaalsContact NH2-O 3.1Å; R20-Q73 VanDerWaalsContact CZ-OE1 3.25Å; R20-T109 PolarHBondContact NH1-OG1 2.96Å; R20-A320 PolarHBondContact N-O 2.83Å; R20-N321 WeakPolarHBondContact O-CA 3.31Å; R20-I322 PolarHBondContact O-N 2.86Å
21C97.2Very high88.1Confident1 Ų160.9 Ų60.91%0.00731%0.313CS..EExtended strand (participates in β ladder)trans-95.4118.1173.3-167.40000109.5V37 V39 F67 G68 P69 I322C21-V37 HydrophobicContact CB-CG1 4.5Å; C21-V39 HydrophobicContact CB-CG2 3.83Å; C21-F67 PolarHBondContact N-O 3.17Å; C21-G68 CarbonylContact O-C 3.55Å; C21-P69 WeakPolarHBondContact O-CA 3.41Å; C21-I322 HydrophobicContact CB-CD1 4.1Å; C21-I322 HydrophobicContact CB-CG1 3.85Å
22R95.4Very high90Very high41 Ų4161 Ų6116%0.15531%0.312CS..PPolyproline II helixtrans-77.9164.3176.865.1152.617471.93.3112.2N25 E28 G103 T104 I322 P324R22-N25 PolarHBondContact NH2-ND2 2.99Å; R22-N25 VanDerWaalsContact NH2-ND2 3.18Å; R22-E28 IonicContact CZ-OE1 2.81Å; R22-E28 IonicContact CZ-OE2 2.59Å; R22-E28 IonicContact NH1-OE1 2.85Å; R22-E28 PolarHBondContact NH1-OE1 2.96Å; R22-E28 IonicContact NH1-OE2 3.06Å; R22-E28 PolarHBondContact NH1-OE2 2.86Å; R22-E28 IonicContact NH2-OE1 3.74Å; R22-E28 PolarHBondContact NH2-OE1 3.46Å; R22-E28 IonicContact NH2-OE2 2.68Å; R22-G103 PolarHBondContact NE-O 3.48Å; R22-G103 PolarHBondContact NH2-O 2.82Å; R22-T104 WeakPolarHBondContact CG-O 3.47Å; R22-I322 PolarHBondContact N-O 3.46Å; R22-P324 VanDerWaalsContact O-CD 3.28Å; R22-P324 WeakPolarHBondContact O-CD 3.43Å; R22-P324 VanDerWaalsContact O-CG 3.27Å; R22-P324 WeakPolarHBondContact O-CG 3.31Å
23P94.2Very high91.6Very high64 Ų6461.7 Ų61.742%0.41631%0.307SS..PPolyproline II helixtrans-57.9157.6166.3-22.231.7000113.6N25 P69P23-N25 PolarHBondContact O-N 3.06Å; P23-P69 HydrophobicContact CB-CB 4.25Å; P23-P69 HydrophobicContact CG-CB 3.9Å; P23-P69 WeakPolarHBondContact CG-O 3.45Å
24L91.6Very high92.1Very high35 Ų3565 Ų6518%0.18332%0.319CS..PPolyproline II helixtrans-60.6125.5166.7-81.3165.8000109.8E28 K29 Q35 P324 A325L24-E28 WeakPolarHBondContact CA-OE2 3.19Å; L24-E28 HydrophobicContact CD2-CB 3.88Å; L24-K29 HydrophobicContact CB-CG 4.17Å; L24-K29 WeakPolarHBondContact O-CE 3.43Å; L24-K29 PolarHBondContact O-NZ 2.87Å; L24-Q35 HydrophobicContact CD1-CB 4.38Å; L24-P324 HydrophobicContact CB-CG 4.41Å; L24-P324 HydrophobicContact CD2-CB 4.47Å; L24-P324 HydrophobicContact CD2-CG 3.82Å; L24-P324 HydrophobicContact CG-CB 4.37Å; L24-P324 HydrophobicContact CG-CG 3.77Å; L24-A325 HydrophobicContact CD2-CB 3.87Å
25N88.9Confident92.3Very high59 Ų5966.7 Ų66.732%0.31632%0.324SS..PPolyproline II helixtrans-79.8167.6179.175.548.4000111.5R22 P23 R27 E28 K29R22-N25 PolarHBondContact NH2-ND2 2.99Å; R22-N25 VanDerWaalsContact NH2-ND2 3.18Å; P23-N25 PolarHBondContact O-N 3.06Å; N25-R27 VanDerWaalsContact C-N 3.3Å; N25-R27 PolarHBondContact O-N 3.02Å; N25-R27 WeakPolarHBondContact OD1-CA 3.49Å; N25-R27 WeakPolarHBondContact OD1-CB 3.31Å; N25-R27 PolarHBondContact OD1-N 2.93Å; N25-E28 PolarHBondContact N-OE2 3.31Å; N25-E28 PolarHBondContact ND2-OE1 2.91Å; N25-E28 PolarHBondContact ND2-OE2 2.95Å; N25-E28 PolarHBondContact O-N 3.43Å; N25-E28 WeakPolarHBondContact OD1-CG 3.3Å; N25-E28 PolarHBondContact OD1-N 3.41Å; N25-K29 WeakPolarHBondContact O-CG 3.46Å; N25-K29 PolarHBondContact O-N 2.95Å
26E88.9Confident92.2Very high168 Ų16866.7 Ų66.779%0.78532%0.324SS*.Hα-helixtrans-62.5-35.3-175.1-62-17615900113.1K29 S30E26-K29 PolarHBondContact O-N 2.83Å; E26-S30 WeakPolarHBondContact O-CB 3.41Å; E26-S30 PolarHBondContact O-N 3.41Å; E26-S30 PolarHBondContact O-OG 2.84Å
27R87.2Confident92.2Very high174 Ų17462 Ų6266%0.65730%0.304SS*.Hα-helixtrans-69.6-39.7177179176.9173.1175.6-1.2112N25 K29 S30 M31N25-R27 VanDerWaalsContact C-N 3.3Å; N25-R27 PolarHBondContact O-N 3.02Å; N25-R27 WeakPolarHBondContact OD1-CA 3.49Å; N25-R27 WeakPolarHBondContact OD1-CB 3.31Å; N25-R27 PolarHBondContact OD1-N 2.93Å; R27-K29 VanDerWaalsContact C-N 3.34Å; R27-S30 WeakPolarHBondContact CA-OG 3.44Å; R27-S30 PolarHBondContact O-N 3.48Å; R27-S30 PolarHBondContact O-OG 3.3Å; R27-S30 VanDerWaalsContact O-OG 3.06Å; R27-M31 HydrophobicContact CG-CE 4.15Å; R27-M31 HydrophobicContact CG-SD 3.79Å; R27-M31 VanDerWaalsContact O-CB 3.3Å; R27-M31 WeakPolarHBondContact O-CB 3.39Å; R27-M31 VanDerWaalsContact O-CG 3.28Å; R27-M31 WeakPolarHBondContact O-CG 3.49Å; R27-M31 PolarHBondContact O-N 3.4Å
28E90.3Very high92.1Very high10 Ų1064.8 Ų64.85%0.04732%0.324CS..Hα-helixtrans-65.1-40.6175.1-68.9163.7164.700111R22 L24 N25 M31 C32 Y33 A325R22-E28 IonicContact CZ-OE1 2.81Å; R22-E28 IonicContact CZ-OE2 2.59Å; R22-E28 IonicContact NH1-OE1 2.85Å; R22-E28 PolarHBondContact NH1-OE1 2.96Å; R22-E28 IonicContact NH1-OE2 3.06Å; R22-E28 PolarHBondContact NH1-OE2 2.86Å; R22-E28 IonicContact NH2-OE1 3.74Å; R22-E28 PolarHBondContact NH2-OE1 3.46Å; R22-E28 IonicContact NH2-OE2 2.68Å; L24-E28 WeakPolarHBondContact CA-OE2 3.19Å; L24-E28 HydrophobicContact CD2-CB 3.88Å; N25-E28 PolarHBondContact N-OE2 3.31Å; N25-E28 PolarHBondContact ND2-OE1 2.91Å; N25-E28 PolarHBondContact ND2-OE2 2.95Å; N25-E28 PolarHBondContact O-N 3.43Å; N25-E28 WeakPolarHBondContact OD1-CG 3.3Å; N25-E28 PolarHBondContact OD1-N 3.41Å; E28-M31 PolarHBondContact O-N 3.45Å; E28-C32 PolarHBondContact O-N 3.22Å; E28-Y33 HydrophobicContact CB-CD2 4.18Å; E28-Y33 HydrophobicContact CG-CD2 4.16Å; E28-Y33 PolarHBondContact O-N 2.85Å; E28-A325 HydrophobicContact CB-CB 4.34Å; E28-A325 HydrophobicContact CG-CB 3.93Å
29K90.3Very high92Very high123 Ų12366.3 Ų66.354%0.53533%0.333SS..Hα-helixtrans-63.8-45.9173.1-72.6163.4172.4156.50112.1L24 N25 E26 R27 M31 C32L24-K29 HydrophobicContact CB-CG 4.17Å; L24-K29 WeakPolarHBondContact O-CE 3.43Å; L24-K29 PolarHBondContact O-NZ 2.87Å; N25-K29 WeakPolarHBondContact O-CG 3.46Å; N25-K29 PolarHBondContact O-N 2.95Å; E26-K29 PolarHBondContact O-N 2.83Å; R27-K29 VanDerWaalsContact C-N 3.34Å; K29-M31 VanDerWaalsContact C-N 3.29Å; K29-M31 PolarHBondContact O-N 3.06Å; K29-C32 PolarHBondContact O-N 3.28Å; K29-C32 VanDerWaalsContact O-N 3.1Å
30S90.8Very high91.9Very high92 Ų9268.8 Ų68.864%0.64335%0.346SS*.Hα-helixtrans-70.7-23.4179.568.50000113.7E26 R27 C32E26-S30 WeakPolarHBondContact O-CB 3.41Å; E26-S30 PolarHBondContact O-N 3.41Å; E26-S30 PolarHBondContact O-OG 2.84Å; R27-S30 WeakPolarHBondContact CA-OG 3.44Å; R27-S30 PolarHBondContact O-N 3.48Å; R27-S30 PolarHBondContact O-OG 3.3Å; R27-S30 VanDerWaalsContact O-OG 3.06Å; S30-C32 VanDerWaalsContact C-N 3.31Å
31M89.5Confident91.7Very high89 Ų8972.8 Ų72.844%0.43837%0.366SS..THydrogen-bonded Turntrans-89.24.8172.5-69.1176.1166.800112.7R27 E28 K29 Y33R27-M31 HydrophobicContact CG-CE 4.15Å; R27-M31 HydrophobicContact CG-SD 3.79Å; R27-M31 VanDerWaalsContact O-CB 3.3Å; R27-M31 WeakPolarHBondContact O-CB 3.39Å; R27-M31 VanDerWaalsContact O-CG 3.28Å; R27-M31 WeakPolarHBondContact O-CG 3.49Å; R27-M31 PolarHBondContact O-N 3.4Å; E28-M31 PolarHBondContact O-N 3.45Å; K29-M31 VanDerWaalsContact C-N 3.29Å; K29-M31 PolarHBondContact O-N 3.06Å; M31-Y33 HydrophobicContact CB-CD2 3.99Å; M31-Y33 HydrophobicContact CB-CE1 4.45Å; M31-Y33 HydrophobicContact CB-CE2 3.71Å; M31-Y33 HydrophobicContact CB-CG 4.45Å; M31-Y33 HydrophobicContact CG-CE2 4.43Å; M31-Y33 PolarHBondContact O-N 3.2Å; M31-Y33 HydrophobicContact SD-CE2 3.99Å
32C87Confident91.3Very high108 Ų10881.4 Ų81.473%0.7341%0.408SS*.THydrogen-bonded Turntrans55.229.1178.8-61.70000114.8E28 K29 S30E28-C32 PolarHBondContact O-N 3.22Å; K29-C32 PolarHBondContact O-N 3.28Å; K29-C32 VanDerWaalsContact O-N 3.1Å; S30-C32 VanDerWaalsContact C-N 3.31Å
33Y90.1Very high91.1Very high73 Ų7387.4 Ų87.429%0.28643%0.431SS..  trans-66.3142.6174.2-65.8-42.5000111E28 M31 D326 Y327E28-Y33 HydrophobicContact CB-CD2 4.18Å; E28-Y33 HydrophobicContact CG-CD2 4.16Å; E28-Y33 PolarHBondContact O-N 2.85Å; M31-Y33 HydrophobicContact CB-CD2 3.99Å; M31-Y33 HydrophobicContact CB-CE1 4.45Å; M31-Y33 HydrophobicContact CB-CE2 3.71Å; M31-Y33 HydrophobicContact CB-CG 4.45Å; M31-Y33 HydrophobicContact CG-CE2 4.43Å; M31-Y33 PolarHBondContact O-N 3.2Å; M31-Y33 HydrophobicContact SD-CE2 3.99Å; Y33-D326 WeakPolarHBondContact CB-OD1 3.09Å; Y33-Y327 HydrophobicContact CE1-CD2 4.14Å; Y33-Y327 HydrophobicContact CE1-CG 4.15Å; Y33-Y327 HydrophobicContact CE2-CD1 4.4Å; Y33-Y327 HydrophobicContact CE2-CG 4.05Å; Y33-Y327 AromaticContact CZ-CD2 3.91Å; Y33-Y327 AromaticContact CZ-CG 3.78Å
34K88.6Confident91Very high126 Ų12684.9 Ų84.955%0.54842%0.416SS..  trans-89.3154.6-176.5-61.7168.1-176.5166.10110.2A36 T51 A325 D326K34-A36 PolarHBondContact O-N 3.27Å; K34-T51 HydrophobicContact CB-CG2 4.09Å; K34-T51 HydrophobicContact CD-CG2 3.84Å; K34-A325 CarbonylContact O-C 3.55Å; K34-A325 WeakPolarHBondContact O-CA 3.42Å; K34-D326 WeakPolarHBondContact CB-OD2 3.47Å; K34-D326 PolarHBondContact N-OD1 3.28Å; K34-D326 PolarHBondContact O-N 3.15Å
35Q90.9Very high91.2Very high114 Ų11483.6 Ų83.653%0.53341%0.41SS..BIsolated β-bridgetrans-74.9109.1170.1-179.1167.1-15.300110L24 V37 P324L24-Q35 HydrophobicContact CD1-CB 4.38Å; Q35-V37 WeakPolarHBondContact CG-O 3.3Å; Q35-V37 PolarHBondContact NE2-O 3.13Å; Q35-P324 CarbonylContact C-O 3.18Å; Q35-P324 WeakPolarHBondContact CA-O 3.39Å; Q35-P324 HydrophobicContact CG-CB 4.3Å
36A91.9Very high91.6Very high1 Ų180.8 Ų80.81%0.00840%0.395CS..  trans-87.9-20174.600000113.3K34 V48 H49 P324 D326K34-A36 PolarHBondContact O-N 3.27Å; A36-V48 WeakPolarHBondContact O-CA 3.26Å; A36-H49 WeakPolarHBondContact CB-O 3.42Å; A36-H49 PolarHBondContact O-CD2 2.95Å; A36-H49 PolarHBondContact O-N 2.99Å; A36-P324 PolarHBondContact N-O 2.64Å; A36-D326 HydrophobicContact CB-CB 3.89Å
37V94.8Very high91.8Very high3 Ų374 Ų742%0.01837%0.365CS..EExtended strand (participates in β ladder)trans-103.7123.5-173.4-174.50000111.3C21 Q35 V39 I46 V48 I322 T332C21-V37 HydrophobicContact CB-CG1 4.5Å; Q35-V37 WeakPolarHBondContact CG-O 3.3Å; Q35-V37 PolarHBondContact NE2-O 3.13Å; V37-V39 HydrophobicContact CG1-CG2 4.03Å; V37-I46 HydrophobicContact CG1-CG2 3.83Å; V37-V48 HydrophobicContact CG2-CG1 4.49Å; V37-I322 HydrophobicContact CG1-CD1 3.9Å; V37-T332 HydrophobicContact CG2-CG2 4.03Å
38S93.9Very high92.1Very high59 Ų5965.7 Ų65.741%0.41333%0.333SS..EExtended strand (participates in β ladder)trans-105.7140.2166.4-174.20000109.9T47S38-T47 PolarHBondContact N-O 2.92Å; S38-T47 PolarHBondContact O-N 2.88Å
39V95.8Very high92.1Very high36 Ų3669.1 Ų69.122%0.21835%0.349CS..EExtended strand (participates in β ladder)trans-128.4130.5-175.3-172.30000109.2C21 V37 E41 I46 V66C21-V39 HydrophobicContact CB-CG2 3.83Å; V37-V39 HydrophobicContact CG1-CG2 4.03Å; V39-E41 HydrophobicContact CG1-CG 4.31Å; V39-I46 HydrophobicContact CG1-CG1 4.11Å; V39-I46 HydrophobicContact CG2-CG1 4.26Å; V39-V66 HydrophobicContact CG1-CB 4.12Å; V39-V66 HydrophobicContact CG1-CG2 3.68Å
40D94.3Very high91.8Very high51 Ų5166.8 Ų66.827%0.27334%0.339SS..EExtended strand (participates in β ladder)trans-122.792.2177.4175.4-10.7000107.5M42 R43 G44 T45 V66D40-M42 VanDerWaalsContact C-N 3.3Å; D40-M42 PolarHBondContact O-N 2.73Å; D40-M42 PolarHBondContact OD1-N 2.71Å; D40-R43 PolarHBondContact O-N 2.61Å; D40-R43 PolarHBondContact OD1-N 2.9Å; D40-R43 WeakPolarHBondContact OD2-CB 3.42Å; D40-R43 VanDerWaalsContact OD2-CD 3.25Å; D40-R43 WeakPolarHBondContact OD2-CD 3.35Å; D40-R43 IonicContact OD2-CZ 3.2Å; D40-R43 IonicContact OD2-NE 2.77Å; D40-R43 IonicContact OD2-NH1 2.73Å; D40-R43 PolarHBondContact OD2-NH1 3.21Å; D40-G44 PolarHBondContact O-N 3.18Å; D40-G44 VanDerWaalsContact O-N 3.1Å; D40-T45 WeakPolarHBondContact CB-OG1 3.44Å; D40-T45 PolarHBondContact N-O 3.06Å; D40-T45 PolarHBondContact O-N 2.69Å; D40-V66 WeakPolarHBondContact O-CG2 3.46Å
41E93.4Very high90.9Very high101 Ų10164.9 Ų64.947%0.47232%0.324SS..THydrogen-bonded Turntrans-62.1-37.8-177.2-57.3-168.5159.200111.6V39 R43 G44 V66 G68 S71V39-E41 HydrophobicContact CG1-CG 4.31Å; E41-R43 VanDerWaalsContact C-N 3.33Å; E41-R43 PolarHBondContact O-N 2.85Å; E41-G44 PolarHBondContact O-N 2.86Å; E41-V66 WeakPolarHBondContact CG-O 3.32Å; E41-G68 PolarHBondContact OE1-N 2.83Å; E41-S71 PolarHBondContact OE1-OG 3.31Å
42M90.3Very high89.9Confident182 Ų18267.5 Ų67.590%0.89734%0.339SS*.THydrogen-bonded Turntrans-64.8-33.9-179.2-70-62.1-60.700113.1D40D40-M42 VanDerWaalsContact C-N 3.3Å; D40-M42 PolarHBondContact O-N 2.73Å; D40-M42 PolarHBondContact OD1-N 2.71Å
43R90.5Very high88.8Confident168 Ų16864.6 Ų64.663%0.63432%0.321SS*.THydrogen-bonded Turntrans-100.90.5179.3-65.4176.848.7-107.1-0.6113.6D40 E41 T45D40-R43 PolarHBondContact O-N 2.61Å; D40-R43 PolarHBondContact OD1-N 2.9Å; D40-R43 WeakPolarHBondContact OD2-CB 3.42Å; D40-R43 VanDerWaalsContact OD2-CD 3.25Å; D40-R43 WeakPolarHBondContact OD2-CD 3.35Å; D40-R43 IonicContact OD2-CZ 3.2Å; D40-R43 IonicContact OD2-NE 2.77Å; D40-R43 IonicContact OD2-NH1 2.73Å; D40-R43 PolarHBondContact OD2-NH1 3.21Å; E41-R43 VanDerWaalsContact C-N 3.33Å; E41-R43 PolarHBondContact O-N 2.85Å; R43-T45 HydrophobicContact CB-CG2 4.44Å; R43-T45 PolarHBondContact NH1-OG1 3.08Å; R43-T45 PolarHBondContact O-N 2.78Å
44G93.2Very high87.4Confident11 Ų1167.1 Ų67.111%0.11335%0.349CS..THydrogen-bonded Turntrans65.622.3-176.900000113.6D40 E41 T62 F63 V66D40-G44 PolarHBondContact O-N 3.18Å; D40-G44 VanDerWaalsContact O-N 3.1Å; E41-G44 PolarHBondContact O-N 2.86Å; G44-T62 WeakPolarHBondContact O-CA 3.43Å; G44-F63 PolarHBondContact O-N 2.87Å; G44-V66 WeakPolarHBondContact O-CG1 2.94Å
45T95.3Very high86.2Confident7 Ų768.7 Ų68.74%0.04336%0.363CS..EExtended strand (participates in β ladder)trans-112.4141.5-17154.40000114D40 R43 T60 F61 T62D40-T45 WeakPolarHBondContact CB-OG1 3.44Å; D40-T45 PolarHBondContact N-O 3.06Å; D40-T45 PolarHBondContact O-N 2.69Å; R43-T45 HydrophobicContact CB-CG2 4.44Å; R43-T45 PolarHBondContact NH1-OG1 3.08Å; R43-T45 PolarHBondContact O-N 2.78Å; T45-T60 HydrophobicContact CG2-CG2 4.2Å; T45-F61 VanDerWaalsContact CA-O 3.27Å; T45-F61 WeakPolarHBondContact CA-O 3.47Å; T45-T62 HydrophobicContact CG2-CG2 3.99Å
46I95.9Very high85.3Confident0 Ų065.4 Ų65.40%035%0.348CS..EExtended strand (participates in β ladder)trans-119.8131.3170.6-73.4168000108.6V19 V37 V39 V48 T60 F61 V66 I322 L336V19-I46 HydrophobicContact CB-CD1 3.52Å; V19-I46 HydrophobicContact CG1-CD1 3.3Å; V19-I46 HydrophobicContact CG2-CD1 4.39Å; V37-I46 HydrophobicContact CG1-CG2 3.83Å; V39-I46 HydrophobicContact CG1-CG1 4.11Å; V39-I46 HydrophobicContact CG2-CG1 4.26Å; I46-V48 HydrophobicContact CG2-CG2 4.21Å; I46-T60 CarbonylContact O-C 3.54Å; I46-T60 VanDerWaalsContact O-CA 3.27Å; I46-T60 WeakPolarHBondContact O-CA 3.21Å; I46-F61 PolarHBondContact N-O 3.29Å; I46-F61 PolarHBondContact O-N 2.74Å; I46-V66 HydrophobicContact CD1-CB 3.99Å; I46-V66 HydrophobicContact CD1-CG1 3.81Å; I46-V66 HydrophobicContact CG1-CB 4.05Å; I46-V66 HydrophobicContact CG1-CG1 3.92Å; I46-V66 HydrophobicContact CG1-CG2 4.46Å; I46-I322 HydrophobicContact CD1-CD1 4.08Å; I46-I322 HydrophobicContact CG2-CD1 4.14Å; I46-L336 HydrophobicContact CD1-CD2 4.36Å; I46-L336 HydrophobicContact CG2-CD1 4.11Å; I46-L336 HydrophobicContact CG2-CD2 4.24Å
47T94.4Very high84.7Confident25 Ų2567.9 Ų67.915%0.15336%0.364CS..EExtended strand (participates in β ladder)trans-118.4126.6178.6-61.20000109.7S38 P58 K59 T60S38-T47 PolarHBondContact N-O 2.92Å; S38-T47 PolarHBondContact O-N 2.88Å; T47-P58 HydrophobicContact CG2-CB 3.72Å; T47-P58 HydrophobicContact CG2-CG 4.36Å; T47-K59 WeakPolarHBondContact CA-O 3.39Å; T47-T60 WeakPolarHBondContact CG2-OG1 3.32Å; T47-T60 WeakPolarHBondContact OG1-CG2 3.49Å; T47-T60 PolarHBondContact OG1-OG1 2.94Å
48V93.8Very high84.3Confident0 Ų071 Ų710%038%0.384CS..EExtended strand (participates in β ladder)trans-111.7123.6-179.5-166.60000110.3A36 V37 I46 P58 K59 Y329 T332 I333 L336A36-V48 WeakPolarHBondContact O-CA 3.26Å; V37-V48 HydrophobicContact CG2-CG1 4.49Å; I46-V48 HydrophobicContact CG2-CG2 4.21Å; V48-P58 WeakPolarHBondContact O-CA 3.3Å; V48-K59 PolarHBondContact N-O 3.4Å; V48-K59 PolarHBondContact O-N 2.94Å; V48-Y329 HydrophobicContact CB-CE2 4.45Å; V48-Y329 HydrophobicContact CG1-CD2 3.59Å; V48-Y329 HydrophobicContact CG1-CE2 3.64Å; V48-T332 HydrophobicContact CG1-CG2 4.44Å; V48-T332 HydrophobicContact CG2-CG2 4.12Å; V48-I333 HydrophobicContact CB-CD1 3.86Å; V48-I333 HydrophobicContact CG1-CD1 4.07Å; V48-I333 HydrophobicContact CG1-CG1 4.46Å; V48-I333 HydrophobicContact CG2-CD1 4.1Å; V48-L336 HydrophobicContact CG2-CD1 3.41Å; V48-L336 VanDerWaalsContact CG2-CD1 3.41Å
49H89.4Confident84.1Confident82 Ų8269.4 Ų69.438%0.3837%0.37SS..  trans-101.6141.3-178.9-58.5-97.3000110.3A36 Y329A36-H49 WeakPolarHBondContact CB-O 3.42Å; A36-H49 PolarHBondContact O-CD2 2.95Å; A36-H49 PolarHBondContact O-N 2.99Å; H49-Y329 WeakPolarHBondContact O-CD2 3.33Å
50K83.3Confident84Confident74 Ų7471.3 Ų71.332%0.32238%0.382SS..  trans-101.4112.1177.6-168.9173.5179.5175.20109.1D52 E56 Y329K50-D52 VanDerWaalsContact C-N 3.34Å; K50-D52 PolarHBondContact O-N 2.86Å; K50-E56 HydrophobicContact CD-CB 4.49Å; K50-E56 WeakPolarHBondContact CD-OE1 3.43Å; K50-E56 VanDerWaalsContact CD-OE2 3.29Å; K50-E56 WeakPolarHBondContact CD-OE2 3.45Å; K50-E56 WeakPolarHBondContact CE-OE2 3.49Å; K50-E56 IonicContact NZ-OE1 2.74Å; K50-E56 PolarHBondContact NZ-OE1 2.9Å; K50-E56 IonicContact NZ-OE2 3.73Å; K50-E56 PolarHBondContact NZ-OE2 2.92Å; K50-Y329 HydrophobicContact CB-CD2 4.34Å; K50-Y329 HydrophobicContact CB-CE2 3.73Å; K50-Y329 HydrophobicContact CD-CE1 4.26Å; K50-Y329 HydrophobicContact CG-CE1 4.42Å; K50-Y329 HydrophobicContact CG-CE2 4.23Å
51T72.7Confident84.1Confident52 Ų5270 Ų7032%0.31937%0.373SS..THydrogen-bonded Turntrans-73.4-23.3-170.4380000114.3K34 D326K34-T51 HydrophobicContact CB-CG2 4.09Å; K34-T51 HydrophobicContact CD-CG2 3.84Å; T51-D326 HydrophobicContact CG2-CB 4.08Å; T51-D326 VanDerWaalsContact OG1-CB 3.27Å; T51-D326 WeakPolarHBondContact OG1-CB 3.47Å; T51-D326 PolarHBondContact OG1-OD2 3.13Å
52D69Low84.2Confident144 Ų14468.7 Ų68.777%0.7737%0.373SS*.THydrogen-bonded Turntrans-91.82.6-176.3-58-38.3000114.4K50K50-D52 VanDerWaalsContact C-N 3.34Å; K50-D52 PolarHBondContact O-N 2.86Å
53S64.3Low84.5Confident48 Ų4860.4 Ų60.434%0.33633%0.332SS..  trans-152.492.1-172.4-65.70000113.1N55 E56S53-N55 PolarHBondContact O-N 3.4Å; S53-N55 VanDerWaalsContact O-N 3.07Å; S53-E56 PolarHBondContact O-N 3.45Å
54S59.3Low84.6Confident126 Ų12656.1 Ų56.188%0.88132%0.321SS*.THydrogen-bonded Turntrans-64-11.6-178.458.50000115.7
55N63.1Low84.7Confident159 Ų15957.4 Ų57.485%0.8533%0.327SS*.THydrogen-bonded Turntrans-93.8-9.5179.1-79.3-0.9000114S53S53-N55 PolarHBondContact O-N 3.4Å; S53-N55 VanDerWaalsContact O-N 3.07Å
56E72.7Confident84.8Confident44 Ų4457.1 Ų57.121%0.20633%0.325CS..SBendtrans-91.4124.4-178.7-160.9173.413000110.3K50 S53 K59K50-E56 HydrophobicContact CD-CB 4.49Å; K50-E56 WeakPolarHBondContact CD-OE1 3.43Å; K50-E56 VanDerWaalsContact CD-OE2 3.29Å; K50-E56 WeakPolarHBondContact CD-OE2 3.45Å; K50-E56 WeakPolarHBondContact CE-OE2 3.49Å; K50-E56 IonicContact NZ-OE1 2.74Å; K50-E56 PolarHBondContact NZ-OE1 2.9Å; K50-E56 IonicContact NZ-OE2 3.73Å; K50-E56 PolarHBondContact NZ-OE2 2.92Å; S53-E56 PolarHBondContact O-N 3.45Å; E56-K59 VanDerWaalsContact OE1-CE 3.3Å; E56-K59 WeakPolarHBondContact OE1-CE 3.36Å; E56-K59 IonicContact OE1-NZ 2.75Å; E56-K59 PolarHBondContact OE1-NZ 3.35Å
57P79.8Confident84.9Confident54 Ų5457.4 Ų57.435%0.35133%0.327SS..PPolyproline II helixtrans-66143.3-178.427.3-34.1000110.9
58P86.4Confident84.9Confident67 Ų6756.5 Ų56.544%0.43532%0.322SS..PPolyproline II helixtrans-66.6143.3178.430.3-36.1000110.8T47 V48T47-P58 HydrophobicContact CG2-CB 3.72Å; T47-P58 HydrophobicContact CG2-CG 4.36Å; V48-P58 WeakPolarHBondContact O-CA 3.3Å
59K90.5Very high84.8Confident27 Ų2758.5 Ų58.512%0.11734%0.335CS..EExtended strand (participates in β ladder)trans-99.3111.8-171.3-64.6171.9-167.7166.40109.3T47 V48 E56 F61 Y329 I333 D588T47-K59 WeakPolarHBondContact CA-O 3.39Å; V48-K59 PolarHBondContact N-O 3.4Å; V48-K59 PolarHBondContact O-N 2.94Å; E56-K59 VanDerWaalsContact OE1-CE 3.3Å; E56-K59 WeakPolarHBondContact OE1-CE 3.36Å; E56-K59 IonicContact OE1-NZ 2.75Å; E56-K59 PolarHBondContact OE1-NZ 3.35Å; K59-F61 HydrophobicContact CB-CE2 4.01Å; K59-F61 HydrophobicContact CB-CZ 4.49Å; K59-Y329 WeakPolarHBondContact CD-OH 3.39Å; K59-Y329 WeakPolarHBondContact CE-OH 3.48Å; K59-Y329 PolarHBondContact NZ-OH 2.86Å; K59-Y329 VanDerWaalsContact NZ-OH 3.08Å; K59-I333 HydrophobicContact CB-CD1 4.13Å; K59-I333 HydrophobicContact CD-CD1 4.04Å; K59-D588 VanDerWaalsContact CE-OD2 3.23Å; K59-D588 WeakPolarHBondContact CE-OD2 3.43Å; K59-D588 VanDerWaalsContact NZ-CG 3.32Å; K59-D588 IonicContact NZ-OD1 3.76Å; K59-D588 PolarHBondContact NZ-OD1 2.93Å; K59-D588 IonicContact NZ-OD2 3.36Å; K59-D588 PolarHBondContact NZ-OD2 3.48Å
60T92.8Very high85Confident76 Ų7662.5 Ų62.547%0.46635%0.354SS..EExtended strand (participates in β ladder)trans-105.1133.4-178.1-56.40000111.3T45 I46 T47T45-T60 HydrophobicContact CG2-CG2 4.2Å; I46-T60 CarbonylContact O-C 3.54Å; I46-T60 VanDerWaalsContact O-CA 3.27Å; I46-T60 WeakPolarHBondContact O-CA 3.21Å; T47-T60 WeakPolarHBondContact CG2-OG1 3.32Å; T47-T60 WeakPolarHBondContact OG1-CG2 3.49Å; T47-T60 PolarHBondContact OG1-OG1 2.94Å
61F95.4Very high85.5Confident22 Ų2259.7 Ų59.710%0.09634%0.344CS..EExtended strand (participates in β ladder)trans-125.2151.9179.7-58.6-95.7000110.2T45 I46 K59 F63 I333 L336 R337 N340T45-F61 VanDerWaalsContact CA-O 3.27Å; T45-F61 WeakPolarHBondContact CA-O 3.47Å; I46-F61 PolarHBondContact N-O 3.29Å; I46-F61 PolarHBondContact O-N 2.74Å; K59-F61 HydrophobicContact CB-CE2 4.01Å; K59-F61 HydrophobicContact CB-CZ 4.49Å; F61-F63 HydrophobicContact CB-CD2 4.37Å; F61-F63 HydrophobicContact CB-CE2 3.39Å; F61-F63 HydrophobicContact CB-CZ 3.61Å; F61-F63 HydrophobicContact CG-CE2 4.41Å; F61-F63 HydrophobicContact CG-CZ 4.31Å; F61-I333 HydrophobicContact CE2-CD1 4.02Å; F61-I333 HydrophobicContact CZ-CD1 4.34Å; F61-L336 HydrophobicContact CD1-CB 4.28Å; F61-L336 HydrophobicContact CD2-CB 4Å; F61-L336 HydrophobicContact CD2-CD1 3.89Å; F61-L336 HydrophobicContact CD2-CG 4.4Å; F61-L336 HydrophobicContact CE1-CB 4.21Å; F61-L336 HydrophobicContact CE2-CB 3.93Å; F61-L336 HydrophobicContact CE2-CD1 3.93Å; F61-L336 HydrophobicContact CG-CB 4.17Å; F61-L336 HydrophobicContact CZ-CB 4.04Å; F61-R337 HydrophobicContact CE1-CG 4.23Å; F61-R337 HydrophobicContact CZ-CG 4.42Å; F61-N340 HydrophobicContact CD1-CB 4.33Å
62T95.5Very high86.5Confident75 Ų7564.2 Ų64.246%0.4636%0.359SS..EExtended strand (participates in β ladder)trans-127.6117.5-175.1-45.80000112.3G44 T45 K343G44-T62 WeakPolarHBondContact O-CA 3.43Å; T45-T62 HydrophobicContact CG2-CG2 3.99Å; T62-K343 PolarHBondContact O-NZ 3.38Å
63F96.6Very high87.8Confident8 Ų857.7 Ų57.74%0.03532%0.324CS..  trans-114.4-179.5-173.8-59.4-76.2000111.7V17 V19 G44 F61 V66 L336 A339 N340V17-F63 HydrophobicContact CB-CD1 4.32Å; V17-F63 HydrophobicContact CG1-CD1 3.58Å; V17-F63 HydrophobicContact CG1-CE1 4.06Å; V19-F63 HydrophobicContact CB-CD2 4.21Å; V19-F63 HydrophobicContact CB-CE2 4.5Å; V19-F63 HydrophobicContact CB-CG 4.5Å; V19-F63 HydrophobicContact CG2-CB 4.05Å; V19-F63 HydrophobicContact CG2-CD1 3.68Å; V19-F63 HydrophobicContact CG2-CD2 3.39Å; V19-F63 HydrophobicContact CG2-CE1 3.91Å; V19-F63 HydrophobicContact CG2-CE2 3.62Å; V19-F63 HydrophobicContact CG2-CG 3.4Å; V19-F63 HydrophobicContact CG2-CZ 3.88Å; G44-F63 PolarHBondContact O-N 2.87Å; F61-F63 HydrophobicContact CB-CD2 4.37Å; F61-F63 HydrophobicContact CB-CE2 3.39Å; F61-F63 HydrophobicContact CB-CZ 3.61Å; F61-F63 HydrophobicContact CG-CE2 4.41Å; F61-F63 HydrophobicContact CG-CZ 4.31Å; F63-V66 HydrophobicContact CB-CG1 3.93Å; F63-V66 HydrophobicContact CD2-CG1 3.92Å; F63-V66 HydrophobicContact CG-CG1 4.4Å; F63-L336 HydrophobicContact CE2-CD2 3.58Å; F63-L336 HydrophobicContact CZ-CB 4.46Å; F63-L336 HydrophobicContact CZ-CD2 3.68Å; F63-A339 HydrophobicContact CE1-CB 3.74Å; F63-A339 HydrophobicContact CZ-CB 4.29Å; F63-N340 HydrophobicContact CE1-CB 4.23Å
64D94.4Very high89.2Confident77 Ų7760 Ų6041%0.41233%0.332SS..SBendtrans-81.3-26.4-179.2-55-49.2000111.7V17 K343V17-D64 PolarHBondContact N-OD2 3.33Å; V17-D64 PolarHBondContact O-N 2.86Å; D64-K343 VanDerWaalsContact CG-CE 3.45Å; D64-K343 WeakPolarHBondContact OD1-CE 3.23Å; D64-K343 IonicContact OD1-NZ 3.51Å; D64-K343 PolarHBondContact OD1-NZ 3.42Å; D64-K343 WeakPolarHBondContact OD2-CE 3.3Å
65T95.2Very high90.9Very high38 Ų3857.3 Ų57.323%0.23331%0.308CS..EExtended strand (participates in β ladder)trans-153.9144.6165.5-43.40000108.8V18 V19 F67V18-T65 VanDerWaalsContact CA-O 3.25Å; V18-T65 WeakPolarHBondContact CA-O 3.16Å; V19-T65 PolarHBondContact N-O 2.82Å; V19-T65 VanDerWaalsContact N-O 3.07Å; T65-F67 HydrophobicContact CG2-CD2 4.45Å; T65-F67 HydrophobicContact CG2-CE1 4.04Å; T65-F67 HydrophobicContact CG2-CE2 3.67Å; T65-F67 HydrophobicContact CG2-CZ 3.44Å; T65-F67 VanDerWaalsContact CG2-CZ 3.44Å
66V96.9Very high92.4Very high2 Ų249.8 Ų49.81%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-127.2145.6171.5-55.50000110.1V19 V39 D40 E41 G44 I46 F63V19-V66 HydrophobicContact CB-CG1 4.42Å; V19-V66 CarbonylContact O-C 3.53Å; V19-V66 WeakPolarHBondContact O-CA 3.42Å; V39-V66 HydrophobicContact CG1-CB 4.12Å; V39-V66 HydrophobicContact CG1-CG2 3.68Å; D40-V66 WeakPolarHBondContact O-CG2 3.46Å; E41-V66 WeakPolarHBondContact CG-O 3.32Å; G44-V66 WeakPolarHBondContact O-CG1 2.94Å; I46-V66 HydrophobicContact CD1-CB 3.99Å; I46-V66 HydrophobicContact CD1-CG1 3.81Å; I46-V66 HydrophobicContact CG1-CB 4.05Å; I46-V66 HydrophobicContact CG1-CG1 3.92Å; I46-V66 HydrophobicContact CG1-CG2 4.46Å; F63-V66 HydrophobicContact CB-CG1 3.93Å; F63-V66 HydrophobicContact CD2-CG1 3.92Å; F63-V66 HydrophobicContact CG-CG1 4.4Å
67F97.1Very high93.5Very high6 Ų648 Ų483%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-126.7124.7-176-62.8-77.6000109.6V18 V19 R20 C21 T65 S71 V76 L79 T80V18-F67 HydrophobicContact CB-CE2 4.23Å; V19-F67 PolarHBondContact O-N 3.35Å; R20-F67 HydrophobicContact CB-CB 4.18Å; R20-F67 HydrophobicContact CG-CB 3.94Å; C21-F67 PolarHBondContact N-O 3.17Å; T65-F67 HydrophobicContact CG2-CD2 4.45Å; T65-F67 HydrophobicContact CG2-CE1 4.04Å; T65-F67 HydrophobicContact CG2-CE2 3.67Å; T65-F67 HydrophobicContact CG2-CZ 3.44Å; T65-F67 VanDerWaalsContact CG2-CZ 3.44Å; F67-S71 WeakPolarHBondContact CA-OG 3.46Å; F67-S71 WeakPolarHBondContact CB-OG 3.38Å; F67-V76 HydrophobicContact CB-CG2 4.5Å; F67-V76 HydrophobicContact CD1-CG2 3.67Å; F67-V76 HydrophobicContact CD2-CG2 4.18Å; F67-V76 HydrophobicContact CE1-CB 4.43Å; F67-V76 HydrophobicContact CE1-CG2 3.81Å; F67-V76 HydrophobicContact CE2-CG1 4.5Å; F67-V76 HydrophobicContact CE2-CG2 4.33Å; F67-V76 HydrophobicContact CG-CG2 3.84Å; F67-V76 HydrophobicContact CZ-CB 4.44Å; F67-V76 HydrophobicContact CZ-CG2 4.14Å; F67-L79 HydrophobicContact CE1-CD1 4.02Å; F67-L79 HydrophobicContact CZ-CB 4.22Å; F67-L79 HydrophobicContact CZ-CD1 4.28Å; F67-T80 HydrophobicContact CE2-CG2 3.52Å; F67-T80 HydrophobicContact CZ-CG2 3.53Å
68G94.8Very high94.3Very high6 Ų648.8 Ų48.86%0.06226%0.26CS..  trans-81.9-173.7174.300000113.9C21 E41 E70 S71C21-G68 CarbonylContact O-C 3.55Å; E41-G68 PolarHBondContact OE1-N 2.83Å; G68-E70 PolarHBondContact O-N 3.35Å; G68-S71 PolarHBondContact N-OG 2.86Å; G68-S71 PolarHBondContact O-N 2.84Å; G68-S71 PolarHBondContact O-OG 3.21Å
69P92.1Very high94.5Very high42 Ų4250.9 Ų50.927%0.27327%0.267SS..THydrogen-bonded Turntrans-57.5-30.7-179.9-30.138.9000115.1C21 P23C21-P69 WeakPolarHBondContact O-CA 3.41Å; P23-P69 HydrophobicContact CB-CB 4.25Å; P23-P69 HydrophobicContact CG-CB 3.9Å; P23-P69 WeakPolarHBondContact CG-O 3.45Å
70E92.6Very high94.5Very high166 Ų16650 Ų5078%0.77626%0.264SS*.THydrogen-bonded Turntrans-91.4-6.9-172.1-51.6-54.9124.100114G68 K72G68-E70 PolarHBondContact O-N 3.35Å; E70-K72 PolarHBondContact O-N 2.94Å
71S94.3Very high94.6Very high15 Ų1546.3 Ų46.311%0.10524%0.241CC..  trans-74.5121.7-172.1-20.10000112.3R20 E41 F67 G68R20-S71 PolarHBondContact NH2-O 3.07Å; R20-S71 VanDerWaalsContact NH2-O 3.1Å; E41-S71 PolarHBondContact OE1-OG 3.31Å; F67-S71 WeakPolarHBondContact CA-OG 3.46Å; F67-S71 WeakPolarHBondContact CB-OG 3.38Å; G68-S71 PolarHBondContact N-OG 2.86Å; G68-S71 PolarHBondContact O-N 2.84Å; G68-S71 PolarHBondContact O-OG 3.21Å
72K94.8Very high94.6Very high146 Ų14650.7 Ų50.764%0.63526%0.257SS*.  trans-75.2159.3-172.2-49.4175.2-178.2177.10111.7E70 L74 D75 V76E70-K72 PolarHBondContact O-N 2.94Å; K72-L74 VanDerWaalsContact C-N 3.29Å; K72-L74 PolarHBondContact O-N 3.3Å; K72-D75 VanDerWaalsContact CB-OD2 3.25Å; K72-D75 WeakPolarHBondContact CB-OD2 3.5Å; K72-D75 WeakPolarHBondContact CG-OD2 3.18Å; K72-D75 PolarHBondContact N-OD2 3.09Å; K72-D75 PolarHBondContact O-N 2.78Å; K72-V76 WeakPolarHBondContact O-CG2 3.35Å; K72-V76 PolarHBondContact O-N 3.07Å; K72-V76 VanDerWaalsContact O-N 3.12Å
73Q95.1Very high94.6Very high8 Ų849.7 Ų49.74%0.03725%0.252CS..Hα-helixtrans-59.6-39.1-180-58.7-79.868.900113R20 V76 Y77 F108 L119 R120R20-Q73 VanDerWaalsContact CZ-OE1 3.25Å; Q73-V76 PolarHBondContact O-N 3.48Å; Q73-Y77 WeakPolarHBondContact O-CB 3.38Å; Q73-Y77 PolarHBondContact O-N 3.12Å; Q73-F108 HydrophobicContact CG-CZ 4.45Å; Q73-F108 PolarHBondContact NE2-O 2.86Å; Q73-L119 PolarHBondContact NE2-O 2.72Å; Q73-R120 WeakPolarHBondContact CB-O 3.45Å
74L94.4Very high94.6Very high96 Ų9649.5 Ų49.550%0.50325%0.251SS..Hα-helixtrans-68.8-35.9-178.8-174.459.8000111.9K72 Y77 N78K72-L74 VanDerWaalsContact C-N 3.29Å; K72-L74 PolarHBondContact O-N 3.3Å; L74-Y77 PolarHBondContact O-N 3.34Å; L74-N78 WeakPolarHBondContact O-CB 3.39Å; L74-N78 VanDerWaalsContact O-CG 3.28Å; L74-N78 PolarHBondContact O-N 3.25Å; L74-N78 PolarHBondContact O-ND2 3.27Å; L74-N78 VanDerWaalsContact O-ND2 3.17Å
75D93.8Very high94.7Very high69 Ų6945.9 Ų45.937%0.36923%0.232SC..Hα-helixtrans-68.4-45177.4-50.6-35.1000110.1K72 Y77 N78 L79K72-D75 VanDerWaalsContact CB-OD2 3.25Å; K72-D75 WeakPolarHBondContact CB-OD2 3.5Å; K72-D75 WeakPolarHBondContact CG-OD2 3.18Å; K72-D75 PolarHBondContact N-OD2 3.09Å; K72-D75 PolarHBondContact O-N 2.78Å; D75-Y77 VanDerWaalsContact C-N 3.34Å; D75-Y77 PolarHBondContact O-N 3.07Å; D75-N78 PolarHBondContact O-N 2.84Å; D75-L79 WeakPolarHBondContact O-CB 3.45Å; D75-L79 WeakPolarHBondContact O-CG 3.48Å; D75-L79 PolarHBondContact O-N 2.95Å
76V94.9Very high94.7Very high1 Ų146.3 Ų46.31%0.00623%0.233CC..Hα-helixtrans-58.8-43.9171.41750000111.2F67 K72 Q73 T80 T109F67-V76 HydrophobicContact CB-CG2 4.5Å; F67-V76 HydrophobicContact CD1-CG2 3.67Å; F67-V76 HydrophobicContact CD2-CG2 4.18Å; F67-V76 HydrophobicContact CE1-CB 4.43Å; F67-V76 HydrophobicContact CE1-CG2 3.81Å; F67-V76 HydrophobicContact CE2-CG1 4.5Å; F67-V76 HydrophobicContact CE2-CG2 4.33Å; F67-V76 HydrophobicContact CG-CG2 3.84Å; F67-V76 HydrophobicContact CZ-CB 4.44Å; F67-V76 HydrophobicContact CZ-CG2 4.14Å; K72-V76 WeakPolarHBondContact O-CG2 3.35Å; K72-V76 PolarHBondContact O-N 3.07Å; K72-V76 VanDerWaalsContact O-N 3.12Å; Q73-V76 PolarHBondContact O-N 3.48Å; V76-T80 WeakPolarHBondContact O-CB 3.3Å; V76-T80 WeakPolarHBondContact O-CG2 3.4Å; V76-T80 PolarHBondContact O-N 3.3Å; V76-T80 PolarHBondContact O-OG1 2.67Å; V76-T109 HydrophobicContact CG1-CG2 4.26Å
77Y96.7Very high94.6Very high8 Ų846.8 Ų46.83%0.03124%0.236CC..Iπ-helixtrans-61.9-50.7177.4-179.6-97.1000111.9Q73 L74 D75 L79 T80 A81 R82 I85 I122 N125 H129Q73-Y77 WeakPolarHBondContact O-CB 3.38Å; Q73-Y77 PolarHBondContact O-N 3.12Å; L74-Y77 PolarHBondContact O-N 3.34Å; D75-Y77 VanDerWaalsContact C-N 3.34Å; D75-Y77 PolarHBondContact O-N 3.07Å; Y77-L79 PolarHBondContact O-N 2.85Å; Y77-T80 PolarHBondContact O-N 3.08Å; Y77-A81 HydrophobicContact CD2-CB 3.6Å; Y77-A81 HydrophobicContact CE2-CB 3.72Å; Y77-A81 HydrophobicContact CG-CB 4.39Å; Y77-A81 PolarHBondContact O-N 3.02Å; Y77-R82 HydrophobicContact CD1-CB 4.36Å; Y77-R82 HydrophobicContact CE1-CB 3.94Å; Y77-R82 HydrophobicContact CE1-CG 4.39Å; Y77-R82 PolarHBondContact O-N 3.28Å; Y77-I85 HydrophobicContact CE2-CD1 4.29Å; Y77-I122 HydrophobicContact CD2-CG1 4.48Å; Y77-I122 HydrophobicContact CD2-CG2 4.41Å; Y77-N125 HydrophobicContact CD1-CB 4.18Å; Y77-N125 HydrophobicContact CD2-CB 3.62Å; Y77-N125 HydrophobicContact CE1-CB 4.39Å; Y77-N125 HydrophobicContact CE2-CB 3.85Å; Y77-N125 HydrophobicContact CG-CB 3.81Å; Y77-H129 HydrophobicContact CE1-CB 4.45Å; Y77-H129 VanDerWaalsContact OH-CB 3.29Å; Y77-H129 WeakPolarHBondContact OH-CB 3.39Å; Y77-H129 PolarHBondContact OH-ND1 3.37Å; Y77-H129 VanDerWaalsContact OH-ND1 3.11Å
78N95.2Very high94.6Very high69 Ų6946.6 Ų46.637%0.36924%0.236SC..Iπ-helixtrans-64.4-40-175.2-77.2-32.6000113.2L74 D75L74-N78 WeakPolarHBondContact O-CB 3.39Å; L74-N78 VanDerWaalsContact O-CG 3.28Å; L74-N78 PolarHBondContact O-N 3.25Å; L74-N78 PolarHBondContact O-ND2 3.27Å; L74-N78 VanDerWaalsContact O-ND2 3.17Å; D75-N78 PolarHBondContact O-N 2.84Å
79L91.8Very high94.5Very high112 Ų11246.7 Ų46.759%0.58624%0.235SC*.Iπ-helixtrans-81.3-24.3-177.7-68.7171.9000113.6F67 D75 Y77F67-L79 HydrophobicContact CE1-CD1 4.02Å; F67-L79 HydrophobicContact CZ-CB 4.22Å; F67-L79 HydrophobicContact CZ-CD1 4.28Å; D75-L79 WeakPolarHBondContact O-CB 3.45Å; D75-L79 WeakPolarHBondContact O-CG 3.48Å; D75-L79 PolarHBondContact O-N 2.95Å; Y77-L79 PolarHBondContact O-N 2.85Å
80T91.1Very high94.5Very high7 Ų749.2 Ų49.24%0.04324%0.243CC..Iπ-helixtrans-121.9-47.6-167.375.90000114.3V18 F67 V76 Y77 M317V18-T80 HydrophobicContact CB-CG2 4.15Å; V18-T80 HydrophobicContact CG1-CG2 3.78Å; V18-T80 HydrophobicContact CG2-CG2 4.01Å; F67-T80 HydrophobicContact CE2-CG2 3.52Å; F67-T80 HydrophobicContact CZ-CG2 3.53Å; V76-T80 WeakPolarHBondContact O-CB 3.3Å; V76-T80 WeakPolarHBondContact O-CG2 3.4Å; V76-T80 PolarHBondContact O-N 3.3Å; V76-T80 PolarHBondContact O-OG1 2.67Å; Y77-T80 PolarHBondContact O-N 3.08Å; T80-M317 WeakPolarHBondContact OG1-CE 3.3Å
81A94.6Very high94.5Very high0 Ų041.4 Ų41.40%021%0.207CC..Iπ-helixtrans-88.9-42.2-173.900000111.4Y77 I84 I85 I96 I122 M317Y77-A81 HydrophobicContact CD2-CB 3.6Å; Y77-A81 HydrophobicContact CE2-CB 3.72Å; Y77-A81 HydrophobicContact CG-CB 4.39Å; Y77-A81 PolarHBondContact O-N 3.02Å; A81-I84 WeakPolarHBondContact O-CA 3.39Å; A81-I84 WeakPolarHBondContact O-CB 3.35Å; A81-I84 PolarHBondContact O-N 2.98Å; A81-I85 HydrophobicContact CB-CD1 4.14Å; A81-I85 WeakPolarHBondContact O-CD1 3.16Å; A81-I85 PolarHBondContact O-N 3.39Å; A81-I96 HydrophobicContact CB-CD1 3.65Å; A81-I122 HydrophobicContact CB-CD1 4.32Å; A81-I122 HydrophobicContact CB-CG1 4.15Å; A81-I122 HydrophobicContact CB-CG2 3.7Å; A81-M317 HydrophobicContact CB-CE 4.49Å
82R95.8Very high94.5Very high113 Ų11343.1 Ų43.143%0.42621%0.211SC..Hα-helixtrans-49.7-49.9-173.8-176.8178.5173.8-154-9.1113.3Y77 I84 I85 D86Y77-R82 HydrophobicContact CD1-CB 4.36Å; Y77-R82 HydrophobicContact CE1-CB 3.94Å; Y77-R82 HydrophobicContact CE1-CG 4.39Å; Y77-R82 PolarHBondContact O-N 3.28Å; R82-I84 PolarHBondContact O-N 3.42Å; R82-I85 PolarHBondContact O-N 3.48Å; R82-D86 WeakPolarHBondContact CG-OD2 3.32Å; R82-D86 IonicContact NE-OD2 3.41Å; R82-D86 PolarHBondContact O-N 3.14Å
83P95.1Very high94.5Very high54 Ų5437 Ų3735%0.35119%0.185SC..Hα-helixtrans-64.8-23.1179.6-20.934.2000114.6S87P83-S87 WeakPolarHBondContact O-CB 3.33Å; P83-S87 PolarHBondContact O-N 2.87Å; P83-S87 PolarHBondContact O-OG 3.46Å
84I96.1Very high94.6Very high5 Ų536.6 Ų36.63%0.02618%0.184CC..Hα-helixtrans-77.6-40.3173.6-52.4-62.4000109.9A81 R82 S87 V88 I96 L246 K315 M317A81-I84 WeakPolarHBondContact O-CA 3.39Å; A81-I84 WeakPolarHBondContact O-CB 3.35Å; A81-I84 PolarHBondContact O-N 2.98Å; R82-I84 PolarHBondContact O-N 3.42Å; I84-S87 PolarHBondContact O-N 3.11Å; I84-V88 WeakPolarHBondContact O-CG2 3.23Å; I84-V88 PolarHBondContact O-N 2.85Å; I84-I96 HydrophobicContact CB-CD1 4.28Å; I84-I96 HydrophobicContact CB-CG1 4.41Å; I84-I96 HydrophobicContact CG2-CD1 4.41Å; I84-I96 HydrophobicContact CG2-CG1 4.16Å; I84-L246 HydrophobicContact CG2-CD1 4.31Å; I84-K315 HydrophobicContact CD1-CB 4.06Å; I84-M317 HydrophobicContact CG1-CB 4.26Å
85I96.4Very high94.7Very high1 Ų132 Ų321%0.00516%0.16CC..Hα-helixtrans-63.5-46.2173.3-77.570.1000110.2Y77 A81 R82 S87 V88 L89 I96 H129 I130 L246Y77-I85 HydrophobicContact CE2-CD1 4.29Å; A81-I85 HydrophobicContact CB-CD1 4.14Å; A81-I85 WeakPolarHBondContact O-CD1 3.16Å; A81-I85 PolarHBondContact O-N 3.39Å; R82-I85 PolarHBondContact O-N 3.48Å; I85-S87 VanDerWaalsContact C-N 3.3Å; I85-S87 PolarHBondContact O-N 2.89Å; I85-V88 PolarHBondContact O-N 3.17Å; I85-L89 HydrophobicContact CG2-CD1 3.83Å; I85-L89 WeakPolarHBondContact O-CG 3.14Å; I85-L89 PolarHBondContact O-N 2.91Å; I85-I96 HydrophobicContact CD1-CD1 3.92Å; I85-H129 HydrophobicContact CG2-CB 4.46Å; I85-H129 VanDerWaalsContact CG2-ND1 3.29Å; I85-H129 WeakPolarHBondContact CG2-ND1 3.41Å; I85-I130 HydrophobicContact CG2-CG1 3.89Å; I85-L246 HydrophobicContact CD1-CD2 4.07Å; I85-L246 HydrophobicContact CG1-CD2 3.87Å
86D95.4Very high94.9Very high46 Ų4628.8 Ų28.825%0.24614%0.142CC..Hα-helixtrans-54.4-47.9175.9-66.8-47.8000110.5R82 V88 L89 E90 H129R82-D86 WeakPolarHBondContact CG-OD2 3.32Å; R82-D86 IonicContact NE-OD2 3.41Å; R82-D86 PolarHBondContact O-N 3.14Å; D86-V88 VanDerWaalsContact C-N 3.32Å; D86-V88 PolarHBondContact O-N 3.44Å; D86-L89 WeakPolarHBondContact O-CB 3.47Å; D86-L89 PolarHBondContact O-N 3.46Å; D86-L89 VanDerWaalsContact O-N 3.15Å; D86-E90 PolarHBondContact O-N 3.44Å; D86-E90 VanDerWaalsContact O-N 3.12Å; D86-H129 IonicContact OD1-CE1 3.64Å; D86-H129 PolarHBondContact OD1-CE1 2.62Å; D86-H129 IonicContact OD1-NE2 3.61Å
87S95.1Very high95Very high13 Ų1328.8 Ų28.89%0.09114%0.143CC..Hα-helixtrans-62.9-32.7176.4-61.20000114.1P83 I84 I85 E90 G91 Y92 K315P83-S87 WeakPolarHBondContact O-CB 3.33Å; P83-S87 PolarHBondContact O-N 2.87Å; P83-S87 PolarHBondContact O-OG 3.46Å; I84-S87 PolarHBondContact O-N 3.11Å; I85-S87 VanDerWaalsContact C-N 3.3Å; I85-S87 PolarHBondContact O-N 2.89Å; S87-E90 WeakPolarHBondContact O-CB 3.34Å; S87-E90 PolarHBondContact O-N 3.4Å; S87-G91 PolarHBondContact O-N 2.8Å; S87-Y92 WeakPolarHBondContact O-CB 3.35Å; S87-Y92 WeakPolarHBondContact O-CD2 3.46Å; S87-Y92 PolarHBondContact O-N 3.01Å; S87-K315 VanDerWaalsContact CB-CD 3.45Å; S87-K315 VanDerWaalsContact OG-CD 3.23Å; S87-K315 WeakPolarHBondContact OG-CD 3.48Å; S87-K315 PolarHBondContact OG-NZ 3.45Å
88V96.2Very high94.9Very high2 Ų228.4 Ų28.41%0.01214%0.141CC..Hα-helixtrans-71.8-34176.5171.90000110.9I84 I85 D86 E90 G91 Y92 I228 G244 L246I84-V88 WeakPolarHBondContact O-CG2 3.23Å; I84-V88 PolarHBondContact O-N 2.85Å; I85-V88 PolarHBondContact O-N 3.17Å; D86-V88 VanDerWaalsContact C-N 3.32Å; D86-V88 PolarHBondContact O-N 3.44Å; V88-E90 VanDerWaalsContact C-N 3.31Å; V88-E90 PolarHBondContact O-N 2.99Å; V88-G91 PolarHBondContact O-N 3.29Å; V88-G91 VanDerWaalsContact O-N 3.08Å; V88-Y92 WeakPolarHBondContact CA-O 3.37Å; V88-I228 HydrophobicContact CG1-CD1 4.14Å; V88-G244 WeakPolarHBondContact O-CA 3.43Å; V88-L246 HydrophobicContact CB-CB 4.47Å; V88-L246 HydrophobicContact CG1-CB 4.01Å; V88-L246 HydrophobicContact CG2-CB 4.03Å; V88-L246 HydrophobicContact CG2-CD1 4.38Å
89L93.9Very high94.9Very high8 Ų825.8 Ų25.84%0.04213%0.126CC..Hα-helixtrans-67.4-31.4174.4-67.1158.4000112I85 D86 G91 I130 H133 I228I85-L89 HydrophobicContact CG2-CD1 3.83Å; I85-L89 WeakPolarHBondContact O-CG 3.14Å; I85-L89 PolarHBondContact O-N 2.91Å; D86-L89 WeakPolarHBondContact O-CB 3.47Å; D86-L89 PolarHBondContact O-N 3.46Å; D86-L89 VanDerWaalsContact O-N 3.15Å; L89-G91 VanDerWaalsContact C-N 3.27Å; L89-G91 PolarHBondContact O-N 2.91Å; L89-I130 HydrophobicContact CD2-CG2 4.4Å; L89-H133 HydrophobicContact CD1-CB 3.81Å; L89-H133 HydrophobicContact CD2-CB 4.38Å; L89-I228 HydrophobicContact CD2-CD1 3.82Å; L89-I228 HydrophobicContact CG-CD1 4.46Å
90E91.4Very high95Very high94 Ų9420.5 Ų20.544%0.43910%0.098SC..Hα-helixtrans-66.1-26.8169.1-65.3167.6174.300113.1D86 S87 V88 Y92 R242 K315D86-E90 PolarHBondContact O-N 3.44Å; D86-E90 VanDerWaalsContact O-N 3.12Å; S87-E90 WeakPolarHBondContact O-CB 3.34Å; S87-E90 PolarHBondContact O-N 3.4Å; V88-E90 VanDerWaalsContact C-N 3.31Å; V88-E90 PolarHBondContact O-N 2.99Å; E90-Y92 HydrophobicContact CB-CD2 4.14Å; E90-Y92 HydrophobicContact CB-CE2 4.38Å; E90-Y92 WeakPolarHBondContact OE2-CD2 3.26Å; E90-Y92 VanDerWaalsContact OE2-CE2 3.25Å; E90-Y92 WeakPolarHBondContact OE2-CE2 3.31Å; E90-R242 WeakPolarHBondContact O-CD 3.48Å; E90-R242 PolarHBondContact O-NE 3.21Å; E90-R242 VanDerWaalsContact O-NE 3.08Å; E90-K315 IonicContact OE2-NZ 2.74Å
91G92.4Very high94.9Very high2 Ų221.1 Ų21.12%0.02110%0.101CC..THydrogen-bonded Turntrans114.613-178.600000115.7S87 V88 L89 N352S87-G91 PolarHBondContact O-N 2.8Å; V88-G91 PolarHBondContact O-N 3.29Å; V88-G91 VanDerWaalsContact O-N 3.08Å; L89-G91 VanDerWaalsContact C-N 3.27Å; L89-G91 PolarHBondContact O-N 2.91Å; G91-N352 PolarHBondContact O-N 2.92Å; G91-N352 PolarHBondContact O-ND2 3.37Å
92Y94.4Very high94.6Very high51 Ų5123.2 Ų23.220%0.211%0.113CC..BIsolated β-bridgetrans-77.7158.7169.8-68.8-92.8000111.8S87 V88 E90 G244 K245 K315 A349 R350 I351S87-Y92 WeakPolarHBondContact O-CB 3.35Å; S87-Y92 WeakPolarHBondContact O-CD2 3.46Å; S87-Y92 PolarHBondContact O-N 3.01Å; V88-Y92 WeakPolarHBondContact CA-O 3.37Å; E90-Y92 HydrophobicContact CB-CD2 4.14Å; E90-Y92 HydrophobicContact CB-CE2 4.38Å; E90-Y92 WeakPolarHBondContact OE2-CD2 3.26Å; E90-Y92 VanDerWaalsContact OE2-CE2 3.25Å; E90-Y92 WeakPolarHBondContact OE2-CE2 3.31Å; Y92-G244 WeakPolarHBondContact O-CA 3.47Å; Y92-K245 PolarHBondContact O-N 2.9Å; Y92-K315 HydrophobicContact CD1-CD 4.3Å; Y92-K315 VanDerWaalsContact CD2-NZ 3.31Å; Y92-K315 HydrophobicContact CG-CD 4.17Å; Y92-A349 HydrophobicContact CD1-CB 4.01Å; Y92-A349 HydrophobicContact CE1-CB 4.34Å; Y92-R350 VanDerWaalsContact CD1-O 3.31Å; Y92-R350 WeakPolarHBondContact CD1-O 3.25Å; Y92-I351 HydrophobicContact CD1-CG1 4.35Å; Y92-I351 HydrophobicContact CD2-CG1 3.94Å; Y92-I351 HydrophobicContact CE1-CG1 4Å; Y92-I351 HydrophobicContact CE2-CD1 4.04Å; Y92-I351 HydrophobicContact CE2-CG1 3.53Å; Y92-I351 HydrophobicContact CG-CG1 4.33Å
93N94.9Very high94.1Very high17 Ų1720.3 Ų20.39%0.09112%0.119CC..EExtended strand (participates in β ladder)trans-75.2140158.6-62.5-36.3000110K245 N313 S314 K315 N352N93-K245 CarbonylContact C-O 3.53Å; N93-K245 WeakPolarHBondContact CA-O 3.34Å; N93-K245 WeakPolarHBondContact OD1-CB 3.4Å; N93-N313 VanDerWaalsContact CB-O 3.24Å; N93-N313 WeakPolarHBondContact CB-O 3.49Å; N93-N313 PolarHBondContact ND2-ND2 2.93Å; N93-N313 PolarHBondContact ND2-O 2.86Å; N93-S314 WeakPolarHBondContact O-CA 3.36Å; N93-K315 PolarHBondContact O-N 2.81Å; N93-N352 PolarHBondContact ND2-OD1 3Å; N93-N352 PolarHBondContact OD1-ND2 3.49Å
94G96.3Very high93.9Very high0 Ų017.8 Ų17.80%010%0.103CC..EExtended strand (participates in β ladder)trans-131.2141.6176.900000111.5K245 L246 H247 K315G94-K245 PolarHBondContact N-O 3.41Å; G94-L246 CarbonylContact O-C 3.6Å; G94-L246 WeakPolarHBondContact O-CA 3.43Å; G94-H247 PolarHBondContact O-N 3.14Å; G94-K315 VanDerWaalsContact CA-O 3.31Å; G94-K315 WeakPolarHBondContact CA-O 3.11Å
95T97.3Very high93.8Very high1 Ų118.4 Ų18.41%0.00611%0.11CC..EExtended strand (participates in β ladder)trans-132.4129.1174.4-55.70000110.4F97 H247 L306 S309 S314 K315 T316 M317T95-F97 HydrophobicContact CG2-CD1 4.34Å; T95-H247 WeakPolarHBondContact CA-O 3.48Å; T95-H247 HydrophobicContact CG2-CB 4.18Å; T95-L306 HydrophobicContact CG2-CD2 4.31Å; T95-S309 WeakPolarHBondContact CG2-OG 3.47Å; T95-S309 WeakPolarHBondContact OG1-CB 3.38Å; T95-S309 PolarHBondContact OG1-OG 2.91Å; T95-S314 PolarHBondContact N-OG 3.34Å; T95-S314 PolarHBondContact OG1-OG 3.35Å; T95-S314 VanDerWaalsContact OG1-OG 3.05Å; T95-K315 PolarHBondContact N-O 2.66Å; T95-T316 HydrophobicContact CG2-CG2 4.29Å; T95-T316 CarbonylContact O-C 3.52Å; T95-T316 WeakPolarHBondContact O-CA 3.35Å; T95-M317 PolarHBondContact O-N 2.94Å
96I97.7Very high93.6Very high0 Ų019 Ų190%011%0.112CC..EExtended strand (participates in β ladder)trans-122.3121.2170.4-59.6177.5000108A81 I84 I85 M110 I122 L246 H247 L248 V249 M317A81-I96 HydrophobicContact CB-CD1 3.65Å; I84-I96 HydrophobicContact CB-CD1 4.28Å; I84-I96 HydrophobicContact CB-CG1 4.41Å; I84-I96 HydrophobicContact CG2-CD1 4.41Å; I84-I96 HydrophobicContact CG2-CG1 4.16Å; I85-I96 HydrophobicContact CD1-CD1 3.92Å; I96-M110 HydrophobicContact CG2-CE 4.19Å; I96-M110 HydrophobicContact CG2-SD 4.15Å; I96-I122 HydrophobicContact CD1-CG2 3.98Å; I96-I122 HydrophobicContact CG2-CD1 4.16Å; I96-I122 HydrophobicContact CG2-CG2 4.4Å; I96-L246 HydrophobicContact CG1-CD1 4.5Å; I96-H247 PolarHBondContact N-O 2.83Å; I96-L248 HydrophobicContact CB-CD2 3.93Å; I96-L248 HydrophobicContact CD1-CD2 4.02Å; I96-L248 HydrophobicContact CG1-CD2 4.27Å; I96-V249 PolarHBondContact O-N 3.4Å; I96-M317 WeakPolarHBondContact CA-O 3.32Å; I96-M317 HydrophobicContact CB-CE 4.31Å; I96-M317 HydrophobicContact CD1-CE 4.16Å; I96-M317 HydrophobicContact CG1-CE 4.06Å; I96-M317 HydrophobicContact CG2-CE 3.45Å; I96-M317 VanDerWaalsContact CG2-CE 3.45Å; I96-M317 HydrophobicContact CG2-SD 4.22Å
97F96.3Very high93.5Very high2 Ų219 Ų191%0.00911%0.114CC..EExtended strand (participates in β ladder)trans-129.4134.2177.770.4-89.1000113.4T95 V249 L251 L310 T316 M317 M318 C319T95-F97 HydrophobicContact CG2-CD1 4.34Å; F97-V249 WeakPolarHBondContact CA-O 3.47Å; F97-V249 HydrophobicContact CB-CB 3.69Å; F97-V249 HydrophobicContact CB-CG1 4.2Å; F97-V249 HydrophobicContact CB-CG2 4.29Å; F97-L251 HydrophobicContact CD2-CD1 3.81Å; F97-L251 HydrophobicContact CE2-CD1 4.47Å; F97-L310 HydrophobicContact CE1-CD2 4.33Å; F97-L310 HydrophobicContact CZ-CD2 4.49Å; F97-T316 HydrophobicContact CD1-CG2 4.08Å; F97-T316 HydrophobicContact CE1-CG2 3.73Å; F97-M317 PolarHBondContact N-O 3.18Å; F97-M318 HydrophobicContact CD1-CB 4.49Å; F97-M318 HydrophobicContact CD2-CG 4.16Å; F97-M318 HydrophobicContact CE1-CB 3.86Å; F97-M318 HydrophobicContact CE1-CG 4.4Å; F97-M318 HydrophobicContact CE2-CB 3.9Å; F97-M318 HydrophobicContact CE2-CE 4.44Å; F97-M318 HydrophobicContact CE2-CG 3.49Å; F97-M318 VanDerWaalsContact CE2-CG 3.49Å; F97-M318 HydrophobicContact CE2-SD 4Å; F97-M318 HydrophobicContact CZ-CB 3.54Å; F97-M318 HydrophobicContact CZ-CG 3.64Å; F97-M318 HydrophobicContact CZ-SD 4.06Å; F97-C319 PolarHBondContact O-N 2.9Å
98A96.1Very high93.4Very high0 Ų022.5 Ų22.50%013%0.128CC..EExtended strand (participates in β ladder)trans-93.4131.7172.600000110.9K106 M110 V249 L251 C319A98-K106 HydrophobicContact CB-CB 3.83Å; A98-K106 HydrophobicContact CB-CG 4.2Å; A98-M110 HydrophobicContact CB-CG 3.6Å; A98-M110 HydrophobicContact CB-SD 3.93Å; A98-V249 PolarHBondContact N-O 3.42Å; A98-L251 VanDerWaalsContact O-CB 3.31Å; A98-L251 WeakPolarHBondContact O-CB 3.47Å; A98-L251 WeakPolarHBondContact O-CG 3.47Å; A98-L251 PolarHBondContact O-N 3.29Å; A98-C319 CarbonylContact C-O 3.55Å; A98-C319 WeakPolarHBondContact CA-O 3.49Å
99Y95.1Very high93.4Very high14 Ų1422.5 Ų22.56%0.05513%0.128CC..EExtended strand (participates in β ladder)trans-135.1151.9-175.2177.9-91.9000111.7L251 S254 L277 M318 C319 A320 N321 T335 Y338Y99-L251 HydrophobicContact CD2-CD1 3.85Å; Y99-S254 WeakPolarHBondContact OH-CB 3.48Å; Y99-L277 HydrophobicContact CD2-CD2 4.45Å; Y99-L277 HydrophobicContact CE2-CD2 4.21Å; Y99-M318 HydrophobicContact CD1-CE 3.41Å; Y99-M318 VanDerWaalsContact CD1-CE 3.41Å; Y99-M318 HydrophobicContact CE1-CE 4.27Å; Y99-M318 HydrophobicContact CG-CE 3.7Å; Y99-C319 PolarHBondContact N-O 3.48Å; Y99-A320 CarbonylContact O-C 3.58Å; Y99-A320 WeakPolarHBondContact O-CA 3.49Å; Y99-N321 PolarHBondContact O-N 2.83Å; Y99-T335 HydrophobicContact CD1-CG2 4.12Å; Y99-T335 HydrophobicContact CE1-CG2 4.2Å; Y99-Y338 HydrophobicContact CD1-CD1 4.08Å; Y99-Y338 HydrophobicContact CD1-CE1 4.46Å; Y99-Y338 HydrophobicContact CD2-CE1 4.23Å; Y99-Y338 AromaticContact CE1-CD1 3.7Å; Y99-Y338 HydrophobicContact CE1-CD1 3.7Å; Y99-Y338 HydrophobicContact CE1-CD2 4.25Å; Y99-Y338 HydrophobicContact CE1-CE1 4.2Å; Y99-Y338 AromaticContact CE1-CG 3.72Å; Y99-Y338 HydrophobicContact CE1-CG 3.72Å; Y99-Y338 HydrophobicContact CE2-CD1 4.28Å; Y99-Y338 AromaticContact CE2-CE1 3.94Å; Y99-Y338 HydrophobicContact CE2-CE1 3.94Å; Y99-Y338 HydrophobicContact CE2-CE2 4.21Å; Y99-Y338 AromaticContact CE2-CZ 3.9Å; Y99-Y338 HydrophobicContact CG-CE1 4.49Å; Y99-Y338 AromaticContact CZ-CD1 3.81Å; Y99-Y338 AromaticContact CZ-CD2 3.8Å; Y99-Y338 AromaticContact CZ-CE1 3.93Å; Y99-Y338 AromaticContact CZ-CE2 3.92Å; Y99-Y338 AromaticContact CZ-CG 3.73Å; Y99-Y338 AromaticContact CZ-CZ 3.98Å; Y99-Y338 WeakPolarHBondContact OH-CD2 3.45Å
100G93Very high93.5Very high0 Ų022.2 Ų22.20%013%0.126CC..SBendtrans133.2-175.3177.300000113.1K106 S254G100-K106 PolarHBondContact O-NZ 2.91Å; G100-S254 WeakPolarHBondContact CA-OG 3.44Å; G100-S254 PolarHBondContact O-N 3.47Å; G100-S254 PolarHBondContact O-OG 2.83Å
101Q89.5Confident93.5Very high21 Ų2119.3 Ų19.310%0.09811%0.113CC..SBendtrans-62.5155.4-177.2-178.3-172.117.500112.4T104 K106 S254 E255 N328 E331Q101-T104 HydrophobicContact CB-CG2 3.72Å; Q101-T104 PolarHBondContact O-N 3.5Å; Q101-T104 PolarHBondContact O-OG1 3.12Å; Q101-K106 PolarHBondContact O-NZ 3.23Å; Q101-S254 PolarHBondContact N-OG 3.08Å; Q101-S254 VanDerWaalsContact N-OG 3.15Å; Q101-E255 WeakPolarHBondContact CA-OE2 3.41Å; Q101-E255 HydrophobicContact CG-CB 4.29Å; Q101-N328 PolarHBondContact NE2-OD1 3.44Å; Q101-N328 VanDerWaalsContact OE1-CG 3.28Å; Q101-N328 PolarHBondContact OE1-OD1 3.47Å; Q101-E331 HydrophobicContact CB-CB 4.36Å; Q101-E331 HydrophobicContact CG-CB 4.45Å
102T87.6Confident93.5Very high43 Ų4319.9 Ų19.926%0.26412%0.119SC..THydrogen-bonded Turntrans-57.9137.2168.1-68.60000111.2T104 S218 G253 E255T102-T104 VanDerWaalsContact C-N 3.33Å; T102-T104 PolarHBondContact O-N 3.15Å; T102-S218 WeakPolarHBondContact OG1-CB 3.42Å; T102-G253 WeakPolarHBondContact OG1-CA 3.45Å; T102-E255 WeakPolarHBondContact CB-OE1 3.34Å; T102-E255 PolarHBondContact N-OE2 2.7Å; T102-E255 PolarHBondContact OG1-OE1 3.02Å; T102-E255 PolarHBondContact OG1-OE2 2.66Å
103G86.3Confident93.3Very high52 Ų5220.3 Ų20.354%0.53613%0.127SC..THydrogen-bonded Turntrans75.49.1-179.400000115.9R22R22-G103 PolarHBondContact NE-O 3.48Å; R22-G103 PolarHBondContact NH2-O 2.82Å
104T91.4Very high92.6Very high2 Ų221.5 Ų21.51%0.01213%0.13CC..SBendtrans-84.6-16.4171.561.60000114.1R22 Q101 T102 N321R22-T104 WeakPolarHBondContact CG-O 3.47Å; Q101-T104 HydrophobicContact CB-CG2 3.72Å; Q101-T104 PolarHBondContact O-N 3.5Å; Q101-T104 PolarHBondContact O-OG1 3.12Å; T102-T104 VanDerWaalsContact C-N 3.33Å; T102-T104 PolarHBondContact O-N 3.15Å; T104-N321 WeakPolarHBondContact CB-O 3.46Å; T104-N321 VanDerWaalsContact OG1-CB 3.25Å; T104-N321 WeakPolarHBondContact OG1-CB 3.27Å; T104-N321 PolarHBondContact OG1-O 2.91Å
105G92.1Very high92.1Very high17 Ų1726 Ų2618%0.17517%0.167CC..SBendtrans116.424173.800000116.6F108 T109G105-F108 PolarHBondContact O-N 3.32Å; G105-T109 WeakPolarHBondContact O-CB 3.43Å; G105-T109 PolarHBondContact O-N 2.91Å; G105-T109 PolarHBondContact O-OG1 3.02Å
106K93.7Very high91.8Very high13 Ų1329.8 Ų29.86%0.05719%0.186CC..Hα-helixtrans-53.8-65.4174.4-59.7-170.7-66.2-77.10112.5A98 G100 Q101 F108 T109 M110 D250 L251 A252 N321A98-K106 HydrophobicContact CB-CB 3.83Å; A98-K106 HydrophobicContact CB-CG 4.2Å; G100-K106 PolarHBondContact O-NZ 2.91Å; Q101-K106 PolarHBondContact O-NZ 3.23Å; K106-F108 PolarHBondContact O-N 3.17Å; K106-T109 WeakPolarHBondContact O-CA 2.81Å; K106-T109 PolarHBondContact O-N 2.96Å; K106-M110 PolarHBondContact O-N 2.82Å; K106-D250 VanDerWaalsContact CB-OD1 3.24Å; K106-D250 WeakPolarHBondContact CB-OD1 3.48Å; K106-L251 WeakPolarHBondContact CE-O 3.43Å; K106-A252 VanDerWaalsContact CE-O 3.27Å; K106-A252 WeakPolarHBondContact CE-O 3.28Å; K106-A252 PolarHBondContact NZ-O 2.92Å; K106-N321 WeakPolarHBondContact CA-OD1 3.38Å; K106-N321 HydrophobicContact CG-CB 4.18Å
107T91.9Very high91.3Very high48 Ų4834.4 Ų34.429%0.29422%0.216SC..Hα-helixtrans-60.4-32.1177.2-39.10000112.1T109 E111 G112 D250T107-T109 VanDerWaalsContact C-N 3.34Å; T107-T109 PolarHBondContact O-N 3.37Å; T107-E111 HydrophobicContact CG2-CB 4.39Å; T107-E111 WeakPolarHBondContact O-CA 3.38Å; T107-E111 WeakPolarHBondContact O-CB 3.45Å; T107-E111 PolarHBondContact O-N 2.8Å; T107-G112 PolarHBondContact O-N 3.42Å; T107-G112 VanDerWaalsContact O-N 3.14Å; T107-D250 WeakPolarHBondContact CB-OD2 3.48Å; T107-D250 WeakPolarHBondContact CG2-OD2 3.28Å; T107-D250 PolarHBondContact N-OD1 3.32Å; T107-D250 VanDerWaalsContact N-OD1 3.11Å; T107-D250 PolarHBondContact OG1-OD1 2.93Å; T107-D250 PolarHBondContact OG1-OD2 2.98Å
108F94.1Very high91.1Very high86 Ų8642 Ų4238%0.37725%0.252SS..Hα-helixtrans-66.9-32.3172.9179.6-98.6000112.9Q73 G105 K106 G112 V113 L119Q73-F108 HydrophobicContact CG-CZ 4.45Å; Q73-F108 PolarHBondContact NE2-O 2.86Å; G105-F108 PolarHBondContact O-N 3.32Å; K106-F108 PolarHBondContact O-N 3.17Å; F108-G112 WeakPolarHBondContact O-CA 3.35Å; F108-G112 PolarHBondContact O-N 3.44Å; F108-G112 VanDerWaalsContact O-N 3.16Å; F108-V113 HydrophobicContact CE2-CG2 4.27Å; F108-L119 HydrophobicContact CZ-CD2 4.38Å
109T96Very high90.9Very high2 Ų245 Ų451%0.01227%0.267CS..Hα-helixtrans-79.6-39.6176.6-550000111.2R20 V76 G105 K106 T107 G121 I122 N321R20-T109 PolarHBondContact NH1-OG1 2.96Å; V76-T109 HydrophobicContact CG1-CG2 4.26Å; G105-T109 WeakPolarHBondContact O-CB 3.43Å; G105-T109 PolarHBondContact O-N 2.91Å; G105-T109 PolarHBondContact O-OG1 3.02Å; K106-T109 WeakPolarHBondContact O-CA 2.81Å; K106-T109 PolarHBondContact O-N 2.96Å; T107-T109 VanDerWaalsContact C-N 3.34Å; T107-T109 PolarHBondContact O-N 3.37Å; T109-G121 WeakPolarHBondContact O-CA 3.36Å; T109-I122 HydrophobicContact CG2-CD1 3.98Å; T109-I122 PolarHBondContact O-N 2.85Å; T109-N321 PolarHBondContact OG1-ND2 3.31Å
110M95.2Very high90.9Very high1 Ų148 Ų481%0.00528%0.279CS..Hα-helixtrans-74.2-53179-63.3-55.8-68.400112.5I96 A98 K106 G121 I122 I123 L248 D250I96-M110 HydrophobicContact CG2-CE 4.19Å; I96-M110 HydrophobicContact CG2-SD 4.15Å; A98-M110 HydrophobicContact CB-CG 3.6Å; A98-M110 HydrophobicContact CB-SD 3.93Å; K106-M110 PolarHBondContact O-N 2.82Å; M110-G121 CarbonylContact O-C 3.58Å; M110-I122 PolarHBondContact O-N 2.81Å; M110-I122 HydrophobicContact SD-CD1 4.35Å; M110-I123 HydrophobicContact CB-CD1 3.95Å; M110-I123 HydrophobicContact CB-CG1 4.4Å; M110-I123 HydrophobicContact CE-CD1 4.31Å; M110-I123 HydrophobicContact CE-CG1 4.24Å; M110-I123 VanDerWaalsContact O-CB 3.3Å; M110-I123 WeakPolarHBondContact O-CB 3.22Å; M110-I123 VanDerWaalsContact O-CG1 3.28Å; M110-I123 WeakPolarHBondContact O-CG1 3.47Å; M110-I123 PolarHBondContact O-N 3.37Å; M110-L248 HydrophobicContact CE-CB 3.91Å; M110-L248 HydrophobicContact CE-CD2 4.49Å; M110-D250 HydrophobicContact CB-CB 4.5Å; M110-D250 HydrophobicContact CG-CB 4.28Å
111E92.5Very high91Very high33 Ų3348 Ų4815%0.15428%0.279CS..THydrogen-bonded Turntrans-101.4-47-176.1-176.6-172.5-168.600112.3T107 R114 G121 P124 H203T107-E111 HydrophobicContact CG2-CB 4.39Å; T107-E111 WeakPolarHBondContact O-CA 3.38Å; T107-E111 WeakPolarHBondContact O-CB 3.45Å; T107-E111 PolarHBondContact O-N 2.8Å; E111-R114 HydrophobicContact CG-CG 4.25Å; E111-R114 IonicContact OE1-CZ 2.69Å; E111-R114 IonicContact OE1-NE 3.86Å; E111-R114 PolarHBondContact OE1-NE 2.69Å; E111-R114 IonicContact OE1-NH2 3.16Å; E111-R114 PolarHBondContact OE1-NH2 2.95Å; E111-G121 WeakPolarHBondContact O-CA 3.19Å; E111-G121 PolarHBondContact O-N 2.77Å; E111-P124 WeakPolarHBondContact O-CG 3.35Å; E111-H203 IonicContact OE1-CE1 3.85Å; E111-H203 PolarHBondContact OE1-CE1 3.23Å; E111-H203 IonicContact OE1-ND1 3.16Å; E111-H203 IonicContact OE1-NE2 3.77Å; E111-H203 IonicContact OE2-CE1 2.93Å; E111-H203 PolarHBondContact OE2-CE1 3.5Å; E111-H203 IonicContact OE2-ND1 3.89Å; E111-H203 IonicContact OE2-NE2 3.84Å
112G91.8Very high91.4Very high14 Ų1447.2 Ų47.214%0.14428%0.275CS..BIsolated β-bridgetrans68.2-152.6-174.400000113.3T107 F108 L119T107-G112 PolarHBondContact O-N 3.42Å; T107-G112 VanDerWaalsContact O-N 3.14Å; F108-G112 WeakPolarHBondContact O-CA 3.35Å; F108-G112 PolarHBondContact O-N 3.44Å; F108-G112 VanDerWaalsContact O-N 3.16Å; G112-L119 CarbonylContact C-O 3.6Å; G112-L119 VanDerWaalsContact CA-O 3.27Å; G112-L119 WeakPolarHBondContact CA-O 3.21Å
113V89.6Confident91.8Very high61 Ų6145.5 Ų45.537%0.3726%0.264SS..  trans-107.390178.8-175.20000109.3F108 A115 I116 L119F108-V113 HydrophobicContact CE2-CG2 4.27Å; V113-A115 PolarHBondContact O-N 3.45Å; V113-I116 HydrophobicContact CG1-CB 4.48Å; V113-I116 HydrophobicContact CG1-CD1 4.16Å; V113-I116 HydrophobicContact CG1-CG1 4.33Å; V113-I116 PolarHBondContact O-N 2.8Å; V113-I116 VanDerWaalsContact O-O 3.07Å; V113-L119 HydrophobicContact CB-CB 3.84Å; V113-L119 HydrophobicContact CB-CD1 4.29Å; V113-L119 HydrophobicContact CG2-CB 4.32Å; V113-L119 HydrophobicContact CG2-CD1 4.3Å; V113-L119 PolarHBondContact N-O 2.93Å
114R81.6Confident92.1Very high42 Ų4243.2 Ų43.216%0.15824%0.24CC..THydrogen-bonded Turntrans-48.7-36.7-171.7-55.6-173.1-166.5-145.38.7115.6E111 I116 R120 D196 M199 H203E111-R114 HydrophobicContact CG-CG 4.25Å; E111-R114 IonicContact OE1-CZ 2.69Å; E111-R114 IonicContact OE1-NE 3.86Å; E111-R114 PolarHBondContact OE1-NE 2.69Å; E111-R114 IonicContact OE1-NH2 3.16Å; E111-R114 PolarHBondContact OE1-NH2 2.95Å; R114-I116 VanDerWaalsContact C-N 3.26Å; R114-I116 PolarHBondContact O-N 2.68Å; R114-R120 PolarHBondContact O-NE 2.57Å; R114-R120 PolarHBondContact O-NH2 3.41Å; R114-D196 IonicContact NH1-OD1 2.73Å; R114-D196 PolarHBondContact NH1-OD1 3.2Å; R114-M199 VanDerWaalsContact NH1-CG 3.32Å; R114-M199 VanDerWaalsContact NH2-CG 3.34Å; R114-H203 PolarHBondContact NH2-CD2 3.18Å; R114-H203 PolarHBondContact NH2-NE2 2.66Å
115A84.9Confident92.3Very high94 Ų9444.4 Ų44.478%0.77725%0.246SC*.THydrogen-bonded Turntrans-70.7-17.1-177.300000114V113V113-A115 PolarHBondContact O-N 3.45Å
116I90.6Very high92.5Very high81 Ų8143.6 Ų43.642%0.41524%0.238SC..SBendtrans-116.8108.7-179.6-62.7171.6000107.3V113 R114 E118 L119 R120V113-I116 HydrophobicContact CG1-CB 4.48Å; V113-I116 HydrophobicContact CG1-CD1 4.16Å; V113-I116 HydrophobicContact CG1-CG1 4.33Å; V113-I116 PolarHBondContact O-N 2.8Å; V113-I116 VanDerWaalsContact O-O 3.07Å; R114-I116 VanDerWaalsContact C-N 3.26Å; R114-I116 PolarHBondContact O-N 2.68Å; I116-E118 VanDerWaalsContact C-N 3.28Å; I116-E118 PolarHBondContact O-N 3.41Å; I116-L119 HydrophobicContact CB-CB 4.12Å; I116-L119 HydrophobicContact CB-CD1 4.22Å; I116-L119 HydrophobicContact CB-CG 4.27Å; I116-L119 HydrophobicContact CD1-CD1 3.99Å; I116-L119 HydrophobicContact CG2-CB 4.09Å; I116-L119 HydrophobicContact CG2-CD1 3.98Å; I116-L119 HydrophobicContact CG2-CG 3.79Å; I116-L119 WeakPolarHBondContact O-CA 3.31Å; I116-L119 PolarHBondContact O-N 3.02Å; I116-R120 PolarHBondContact O-N 3.3Å
117P88.4Confident92.6Very high96 Ų9643.1 Ų43.162%0.62324%0.236SC*.G310 helixtrans-53.4-40.4-173.5-3136.9000114.5L119 R120P117-L119 PolarHBondContact O-N 3.35Å; P117-R120 WeakPolarHBondContact O-CB 3.42Å; P117-R120 PolarHBondContact O-N 2.94Å
118E91.2Very high92.7Very high162 Ų16243.5 Ų43.576%0.75724%0.244SC*.G310 helixtrans-65.7-20.8178.3-57.8-175.7173.900113.8I116I116-E118 VanDerWaalsContact C-N 3.28Å; I116-E118 PolarHBondContact O-N 3.41Å
119L93.2Very high92.7Very high62 Ų6241.3 Ų41.333%0.32524%0.235SC..G310 helixtrans-104.53.8-178.2-61.3-176.4000113.4Q73 F108 G112 V113 I116 P117 G121Q73-L119 PolarHBondContact NE2-O 2.72Å; F108-L119 HydrophobicContact CZ-CD2 4.38Å; G112-L119 CarbonylContact C-O 3.6Å; G112-L119 VanDerWaalsContact CA-O 3.27Å; G112-L119 WeakPolarHBondContact CA-O 3.21Å; V113-L119 HydrophobicContact CB-CB 3.84Å; V113-L119 HydrophobicContact CB-CD1 4.29Å; V113-L119 HydrophobicContact CG2-CB 4.32Å; V113-L119 HydrophobicContact CG2-CD1 4.3Å; V113-L119 PolarHBondContact N-O 2.93Å; I116-L119 HydrophobicContact CB-CB 4.12Å; I116-L119 HydrophobicContact CB-CD1 4.22Å; I116-L119 HydrophobicContact CB-CG 4.27Å; I116-L119 HydrophobicContact CD1-CD1 3.99Å; I116-L119 HydrophobicContact CG2-CB 4.09Å; I116-L119 HydrophobicContact CG2-CD1 3.98Å; I116-L119 HydrophobicContact CG2-CG 3.79Å; I116-L119 WeakPolarHBondContact O-CA 3.31Å; I116-L119 PolarHBondContact O-N 3.02Å; P117-L119 PolarHBondContact O-N 3.35Å; L119-G121 PolarHBondContact O-N 3.18Å
120R94.7Very high92.7Very high78 Ų7841.3 Ų41.329%0.29424%0.235SC..BIsolated β-bridgetrans-64.2128.5173.9-75.9-180172.3-154.4-8.3111.6Q73 R114 I116 P117 P124 N125Q73-R120 WeakPolarHBondContact CB-O 3.45Å; R114-R120 PolarHBondContact O-NE 2.57Å; R114-R120 PolarHBondContact O-NH2 3.41Å; I116-R120 PolarHBondContact O-N 3.3Å; P117-R120 WeakPolarHBondContact O-CB 3.42Å; P117-R120 PolarHBondContact O-N 2.94Å; R120-P124 HydrophobicContact CB-CB 4.37Å; R120-P124 HydrophobicContact CB-CG 3.86Å; R120-P124 HydrophobicContact CG-CB 4.39Å; R120-P124 HydrophobicContact CG-CG 4.21Å; R120-N125 PolarHBondContact O-ND2 3.33Å
121G95.7Very high92.8Very high1 Ų142.7 Ų42.71%0.0124%0.241CC..  trans-80-169.8179.600000114.3T109 M110 E111 L119 I123 P124 N125T109-G121 WeakPolarHBondContact O-CA 3.36Å; M110-G121 CarbonylContact O-C 3.58Å; E111-G121 WeakPolarHBondContact O-CA 3.19Å; E111-G121 PolarHBondContact O-N 2.77Å; L119-G121 PolarHBondContact O-N 3.18Å; G121-I123 VanDerWaalsContact C-N 3.32Å; G121-I123 PolarHBondContact O-N 3.02Å; G121-P124 WeakPolarHBondContact O-CD 3.31Å; G121-P124 WeakPolarHBondContact O-CG 3.31Å; G121-N125 WeakPolarHBondContact O-CB 3.32Å; G121-N125 VanDerWaalsContact O-CG 3.31Å; G121-N125 PolarHBondContact O-N 2.86Å; G121-N125 PolarHBondContact O-ND2 2.84Å; G121-N125 VanDerWaalsContact O-ND2 3.09Å
122I96.7Very high92.8Very high3 Ų342.6 Ų42.62%0.01525%0.249CC..Hα-helixtrans-57.2-41.3-176.4-68.4171.6000112.9Y77 A81 I96 T109 M110 S126 L248 M317Y77-I122 HydrophobicContact CD2-CG1 4.48Å; Y77-I122 HydrophobicContact CD2-CG2 4.41Å; A81-I122 HydrophobicContact CB-CD1 4.32Å; A81-I122 HydrophobicContact CB-CG1 4.15Å; A81-I122 HydrophobicContact CB-CG2 3.7Å; I96-I122 HydrophobicContact CD1-CG2 3.98Å; I96-I122 HydrophobicContact CG2-CD1 4.16Å; I96-I122 HydrophobicContact CG2-CG2 4.4Å; T109-I122 HydrophobicContact CG2-CD1 3.98Å; T109-I122 PolarHBondContact O-N 2.85Å; M110-I122 PolarHBondContact O-N 2.81Å; M110-I122 HydrophobicContact SD-CD1 4.35Å; I122-S126 VanDerWaalsContact O-CB 3.32Å; I122-S126 WeakPolarHBondContact O-CB 3.23Å; I122-S126 PolarHBondContact O-N 2.94Å; I122-L248 HydrophobicContact CG2-CD2 4.38Å; I122-M317 HydrophobicContact CD1-CE 4.3Å
123I95.3Very high92.9Very high8 Ų845.5 Ų45.54%0.04126%0.258CS..Hα-helixtrans-62.8-62.8-176.9-63.1171.8000111.4M110 G121 N125 S126 F127 M199 L248M110-I123 HydrophobicContact CB-CD1 3.95Å; M110-I123 HydrophobicContact CB-CG1 4.4Å; M110-I123 HydrophobicContact CE-CD1 4.31Å; M110-I123 HydrophobicContact CE-CG1 4.24Å; M110-I123 VanDerWaalsContact O-CB 3.3Å; M110-I123 WeakPolarHBondContact O-CB 3.22Å; M110-I123 VanDerWaalsContact O-CG1 3.28Å; M110-I123 WeakPolarHBondContact O-CG1 3.47Å; M110-I123 PolarHBondContact O-N 3.37Å; G121-I123 VanDerWaalsContact C-N 3.32Å; G121-I123 PolarHBondContact O-N 3.02Å; I123-N125 VanDerWaalsContact C-N 3.28Å; I123-N125 PolarHBondContact O-N 3.21Å; I123-S126 WeakPolarHBondContact O-CB 3.21Å; I123-S126 PolarHBondContact O-N 3.4Å; I123-S126 PolarHBondContact O-OG 2.94Å; I123-F127 HydrophobicContact CG2-CD1 4.46Å; I123-F127 HydrophobicContact CG2-CE1 3.57Å; I123-F127 HydrophobicContact CG2-CE2 3.95Å; I123-F127 HydrophobicContact CG2-CZ 3.27Å; I123-F127 WeakPolarHBondContact O-CD1 3.36Å; I123-F127 PolarHBondContact O-N 3.27Å; I123-F127 VanDerWaalsContact O-N 3.12Å; I123-M199 HydrophobicContact CD1-CE 3.67Å; I123-M199 HydrophobicContact CG2-CE 4.1Å; I123-M199 HydrophobicContact CG2-SD 4.21Å; I123-L248 HydrophobicContact CB-CD1 4.31Å; I123-L248 HydrophobicContact CD1-CB 4.35Å; I123-L248 HydrophobicContact CG1-CB 4Å; I123-L248 HydrophobicContact CG1-CD1 3.82Å; I123-L248 HydrophobicContact CG1-CG 4.45Å; I123-L248 HydrophobicContact CG2-CD1 4.35Å
124P94.4Very high93Very high4 Ų444.4 Ų44.43%0.02625%0.25CS..Hα-helixtrans-62.4-31179.423.5-34.4000113.6E111 R120 G121 F127 A128E111-P124 WeakPolarHBondContact O-CG 3.35Å; R120-P124 HydrophobicContact CB-CB 4.37Å; R120-P124 HydrophobicContact CB-CG 3.86Å; R120-P124 HydrophobicContact CG-CB 4.39Å; R120-P124 HydrophobicContact CG-CG 4.21Å; G121-P124 WeakPolarHBondContact O-CD 3.31Å; G121-P124 WeakPolarHBondContact O-CG 3.31Å; P124-F127 PolarHBondContact O-N 3.45Å; P124-A128 PolarHBondContact O-N 3.39Å
125N95.6Very high93.5Very high27 Ų2746.7 Ų46.714%0.14428%0.278CS..Hα-helixtrans-69.9-35.1173.6-67.8-26.3000112Y77 R120 G121 I123 A128 H129Y77-N125 HydrophobicContact CD1-CB 4.18Å; Y77-N125 HydrophobicContact CD2-CB 3.62Å; Y77-N125 HydrophobicContact CE1-CB 4.39Å; Y77-N125 HydrophobicContact CE2-CB 3.85Å; Y77-N125 HydrophobicContact CG-CB 3.81Å; R120-N125 PolarHBondContact O-ND2 3.33Å; G121-N125 WeakPolarHBondContact O-CB 3.32Å; G121-N125 VanDerWaalsContact O-CG 3.31Å; G121-N125 PolarHBondContact O-N 2.86Å; G121-N125 PolarHBondContact O-ND2 2.84Å; G121-N125 VanDerWaalsContact O-ND2 3.09Å; I123-N125 VanDerWaalsContact C-N 3.28Å; I123-N125 PolarHBondContact O-N 3.21Å; N125-A128 PolarHBondContact O-N 2.99Å; N125-H129 WeakPolarHBondContact O-CB 3.46Å; N125-H129 PolarHBondContact O-N 3.18Å
126S96.3Very high93.8Very high0 Ų050.2 Ų50.20%028%0.276CS..Hα-helixtrans-64.3-37.2172.776.90000112.5I122 I123 A128 H129 I130I122-S126 VanDerWaalsContact O-CB 3.32Å; I122-S126 WeakPolarHBondContact O-CB 3.23Å; I122-S126 PolarHBondContact O-N 2.94Å; I123-S126 WeakPolarHBondContact O-CB 3.21Å; I123-S126 PolarHBondContact O-N 3.4Å; I123-S126 PolarHBondContact O-OG 2.94Å; S126-A128 PolarHBondContact O-N 2.96Å; S126-H129 PolarHBondContact O-N 3.03Å; S126-I130 WeakPolarHBondContact O-CB 3.03Å; S126-I130 WeakPolarHBondContact O-CD1 3.25Å; S126-I130 VanDerWaalsContact O-CG1 3.24Å; S126-I130 WeakPolarHBondContact O-CG1 3.15Å; S126-I130 PolarHBondContact O-N 3.39Å
127F95.2Very high93.6Very high2 Ų248.3 Ų48.31%0.00927%0.272CS..Hα-helixtrans-61.6-46.9177-58.9-13.2000111.4I123 P124 F131 A192 M195 M199 F224 I226I123-F127 HydrophobicContact CG2-CD1 4.46Å; I123-F127 HydrophobicContact CG2-CE1 3.57Å; I123-F127 HydrophobicContact CG2-CE2 3.95Å; I123-F127 HydrophobicContact CG2-CZ 3.27Å; I123-F127 WeakPolarHBondContact O-CD1 3.36Å; I123-F127 PolarHBondContact O-N 3.27Å; I123-F127 VanDerWaalsContact O-N 3.12Å; P124-F127 PolarHBondContact O-N 3.45Å; F127-F131 PolarHBondContact O-N 3.48Å; F127-A192 HydrophobicContact CB-CB 4.33Å; F127-M195 HydrophobicContact CB-CB 4.37Å; F127-M195 HydrophobicContact CB-CE 3.9Å; F127-M195 HydrophobicContact CD1-CB 4.01Å; F127-M195 HydrophobicContact CD1-CE 3.72Å; F127-M195 HydrophobicContact CD1-CG 4.43Å; F127-M195 HydrophobicContact CD1-SD 3.57Å; F127-M195 VanDerWaalsContact CD1-SD 3.57Å; F127-M195 HydrophobicContact CD2-CB 3.61Å; F127-M195 HydrophobicContact CE1-CB 4.14Å; F127-M195 HydrophobicContact CE1-SD 3.84Å; F127-M195 HydrophobicContact CE2-CB 3.75Å; F127-M195 HydrophobicContact CG-CB 3.74Å; F127-M195 HydrophobicContact CG-CE 4.01Å; F127-M195 HydrophobicContact CG-SD 4.13Å; F127-M195 HydrophobicContact CZ-CB 4Å; F127-M199 HydrophobicContact CE2-CB 4.17Å; F127-M199 HydrophobicContact CZ-CB 4.23Å; F127-M199 HydrophobicContact CZ-CG 4.41Å; F127-M199 HydrophobicContact CZ-SD 4.5Å; F127-F224 HydrophobicContact CE1-CD1 4.13Å; F127-F224 AromaticContact CE1-CE1 3.48Å; F127-F224 HydrophobicContact CE1-CE1 3.48Å; F127-F224 VanDerWaalsContact CE1-CE1 3.48Å; F127-F224 HydrophobicContact CE1-CZ 4.03Å; F127-F224 HydrophobicContact CZ-CD1 4.36Å; F127-F224 AromaticContact CZ-CE1 3.69Å; F127-F224 HydrophobicContact CZ-CE1 3.69Å; F127-F224 AromaticContact CZ-CZ 3.79Å; F127-F224 HydrophobicContact CZ-CZ 3.79Å; F127-I226 HydrophobicContact CD1-CD1 4.08Å; F127-I226 HydrophobicContact CE1-CD1 4.01Å
128A93.4Very high93Very high57 Ų5752 Ų5247%0.47128%0.281SS..Hα-helixtrans-65.2-37.5176.900000112.2P124 N125 S126 G132P124-A128 PolarHBondContact O-N 3.39Å; N125-A128 PolarHBondContact O-N 2.99Å; S126-A128 PolarHBondContact O-N 2.96Å; A128-G132 WeakPolarHBondContact O-CA 3.44Å; A128-G132 PolarHBondContact O-N 3.2Å
129H95.4Very high92.2Very high40 Ų4048 Ų4819%0.18528%0.283CS..Hα-helixtrans-70.7-44.8178.7-170.8-149.3000112.6Y77 I85 D86 N125 S126 G132 H133Y77-H129 HydrophobicContact CE1-CB 4.45Å; Y77-H129 VanDerWaalsContact OH-CB 3.29Å; Y77-H129 WeakPolarHBondContact OH-CB 3.39Å; Y77-H129 PolarHBondContact OH-ND1 3.37Å; Y77-H129 VanDerWaalsContact OH-ND1 3.11Å; I85-H129 HydrophobicContact CG2-CB 4.46Å; I85-H129 VanDerWaalsContact CG2-ND1 3.29Å; I85-H129 WeakPolarHBondContact CG2-ND1 3.41Å; D86-H129 IonicContact OD1-CE1 3.64Å; D86-H129 PolarHBondContact OD1-CE1 2.62Å; D86-H129 IonicContact OD1-NE2 3.61Å; N125-H129 WeakPolarHBondContact O-CB 3.46Å; N125-H129 PolarHBondContact O-N 3.18Å; S126-H129 PolarHBondContact O-N 3.03Å; H129-G132 CarbonylContact O-C 3.57Å; H129-G132 PolarHBondContact O-N 2.85Å; H129-H133 PolarHBondContact O-N 2.75Å
130I96Very high91.4Very high1 Ų149.1 Ų49.11%0.00529%0.29CS..Hα-helixtrans-59.3-53.9178.5-72.1161.9000110.5I85 L89 S126 G132 H133 I134 M195 I226 I228 L246I85-I130 HydrophobicContact CG2-CG1 3.89Å; L89-I130 HydrophobicContact CD2-CG2 4.4Å; S126-I130 WeakPolarHBondContact O-CB 3.03Å; S126-I130 WeakPolarHBondContact O-CD1 3.25Å; S126-I130 VanDerWaalsContact O-CG1 3.24Å; S126-I130 WeakPolarHBondContact O-CG1 3.15Å; S126-I130 PolarHBondContact O-N 3.39Å; I130-G132 VanDerWaalsContact C-N 3.32Å; I130-G132 PolarHBondContact O-N 3.26Å; I130-H133 PolarHBondContact O-N 2.66Å; I130-I134 HydrophobicContact CG2-CD1 3.85Å; I130-I134 WeakPolarHBondContact O-CG1 3.49Å; I130-I134 PolarHBondContact O-N 2.8Å; I130-M195 HydrophobicContact CG2-CE 4.44Å; I130-I226 HydrophobicContact CD1-CD1 3.66Å; I130-I226 HydrophobicContact CD1-CG2 4.41Å; I130-I228 HydrophobicContact CD1-CD1 4.09Å; I130-I228 HydrophobicContact CG1-CD1 4.05Å; I130-I228 HydrophobicContact CG2-CD1 3.76Å; I130-L246 HydrophobicContact CD1-CD2 4.43Å
131F95.3Very high91.1Very high30 Ų3047.1 Ų47.113%0.13229%0.286CS..Hα-helixtrans-70.5-28177.8-78.5-67.6000113.1F127 H133 I134 A135 V145 V189 N190 N191 A192 M195F127-F131 PolarHBondContact O-N 3.48Å; F131-H133 VanDerWaalsContact C-N 3.27Å; F131-H133 PolarHBondContact O-N 3.45Å; F131-I134 HydrophobicContact CD1-CD1 4.04Å; F131-I134 HydrophobicContact CE1-CD1 4.17Å; F131-I134 PolarHBondContact O-N 2.92Å; F131-A135 VanDerWaalsContact O-CB 3.23Å; F131-A135 WeakPolarHBondContact O-CB 3.48Å; F131-A135 PolarHBondContact O-N 2.87Å; F131-V145 HydrophobicContact CE1-CG2 4.46Å; F131-V145 HydrophobicContact CZ-CB 4.42Å; F131-V145 HydrophobicContact CZ-CG2 4.36Å; F131-V189 HydrophobicContact CE2-CG2 4.46Å; F131-V189 HydrophobicContact CZ-CB 4.49Å; F131-V189 HydrophobicContact CZ-CG2 4.15Å; F131-N190 WeakPolarHBondContact CE1-O 3.47Å; F131-N191 WeakPolarHBondContact CE2-O 3.25Å; F131-N191 VanDerWaalsContact CZ-N 3.32Å; F131-A192 HydrophobicContact CD2-CB 4.07Å; F131-A192 VanDerWaalsContact CD2-N 3.29Å; F131-M195 HydrophobicContact CD2-CE 3.71Å; F131-M195 HydrophobicContact CE2-CE 3.4Å; F131-M195 VanDerWaalsContact CE2-CE 3.4Å; F131-M195 HydrophobicContact CE2-CG 4.25Å; F131-M195 HydrophobicContact CZ-CE 4.46Å
132G94Very high90.8Very high31 Ų3154.5 Ų54.532%0.3231%0.314SS..Hα-helixtrans-69.9-18.4171.400000114.7A128 H129 I130 K136A128-G132 WeakPolarHBondContact O-CA 3.44Å; A128-G132 PolarHBondContact O-N 3.2Å; H129-G132 CarbonylContact O-C 3.57Å; H129-G132 PolarHBondContact O-N 2.85Å; I130-G132 VanDerWaalsContact C-N 3.32Å; I130-G132 PolarHBondContact O-N 3.26Å; G132-K136 VanDerWaalsContact O-CD 3.26Å; G132-K136 WeakPolarHBondContact O-CD 3.35Å; G132-K136 VanDerWaalsContact O-CG 3.31Å; G132-K136 WeakPolarHBondContact O-CG 3.26Å
133H93.3Very high90.6Very high75 Ų7556.6 Ų56.635%0.34732%0.323SS..Hα-helixtrans-85.6-49.2168.3-177.2109.6000110.5L89 H129 I130 F131 A135 K136 A137L89-H133 HydrophobicContact CD1-CB 3.81Å; L89-H133 HydrophobicContact CD2-CB 4.38Å; H129-H133 PolarHBondContact O-N 2.75Å; I130-H133 PolarHBondContact O-N 2.66Å; F131-H133 VanDerWaalsContact C-N 3.27Å; F131-H133 PolarHBondContact O-N 3.45Å; H133-A135 VanDerWaalsContact C-N 3.28Å; H133-A135 PolarHBondContact O-N 3.21Å; H133-K136 CarbonylContact O-C 3.59Å; H133-K136 WeakPolarHBondContact O-CA 3.5Å; H133-K136 PolarHBondContact O-N 3.45Å; H133-A137 PolarHBondContact O-N 3.28Å; H133-A137 VanDerWaalsContact O-N 3.15Å
134I92.5Very high90.5Very high39 Ų3959.5 Ų59.520%0.234%0.338CS..Hα-helixtrans-56.3-42.2178.5-65.8167.7000111.3I130 F131 K136 A137 F143 V145I130-I134 HydrophobicContact CG2-CD1 3.85Å; I130-I134 WeakPolarHBondContact O-CG1 3.49Å; I130-I134 PolarHBondContact O-N 2.8Å; F131-I134 HydrophobicContact CD1-CD1 4.04Å; F131-I134 HydrophobicContact CE1-CD1 4.17Å; F131-I134 PolarHBondContact O-N 2.92Å; I134-K136 PolarHBondContact O-N 3.33Å; I134-A137 PolarHBondContact O-N 2.81Å; I134-F143 HydrophobicContact CB-CD2 4.35Å; I134-F143 HydrophobicContact CD1-CB 4.04Å; I134-F143 HydrophobicContact CD1-CD1 4.44Å; I134-F143 HydrophobicContact CD1-CG 4.24Å; I134-F143 HydrophobicContact CG1-CB 4.06Å; I134-F143 HydrophobicContact CG1-CD1 3.99Å; I134-F143 HydrophobicContact CG1-CD2 4.03Å; I134-F143 HydrophobicContact CG1-CE1 4.43Å; I134-F143 HydrophobicContact CG1-CE2 4.48Å; I134-F143 HydrophobicContact CG1-CG 3.76Å; I134-F143 HydrophobicContact CG2-CB 4.14Å; I134-F143 HydrophobicContact CG2-CD2 3.93Å; I134-F143 HydrophobicContact CG2-CG 4.2Å; I134-V145 HydrophobicContact CD1-CG2 3.6Å
135A91.1Very high90.6Very high89 Ų8959.6 Ų59.674%0.73634%0.339SS*.THydrogen-bonded Turntrans-72.8-1.9177.200000114.8F131 H133F131-A135 VanDerWaalsContact O-CB 3.23Å; F131-A135 WeakPolarHBondContact O-CB 3.48Å; F131-A135 PolarHBondContact O-N 2.87Å; H133-A135 VanDerWaalsContact C-N 3.28Å; H133-A135 PolarHBondContact O-N 3.21Å
136K90.6Very high90.6Very high168 Ų16862.5 Ų62.573%0.7335%0.348SS*.THydrogen-bonded Turntrans-115.7-0.4174.4-68.7179.2-174.7175.70113G132 H133 I134 E138G132-K136 VanDerWaalsContact O-CD 3.26Å; G132-K136 WeakPolarHBondContact O-CD 3.35Å; G132-K136 VanDerWaalsContact O-CG 3.31Å; G132-K136 WeakPolarHBondContact O-CG 3.26Å; H133-K136 CarbonylContact O-C 3.59Å; H133-K136 WeakPolarHBondContact O-CA 3.5Å; H133-K136 PolarHBondContact O-N 3.45Å; I134-K136 PolarHBondContact O-N 3.33Å; K136-E138 PolarHBondContact O-N 2.88Å
137A86.3Confident90.6Very high42 Ų4262.5 Ų62.535%0.34735%0.348SS..  trans-70.3126177.800000109.8H133 I134 F143H133-A137 PolarHBondContact O-N 3.28Å; H133-A137 VanDerWaalsContact O-N 3.15Å; I134-A137 PolarHBondContact O-N 2.81Å; A137-F143 HydrophobicContact CB-CE2 3.58Å; A137-F143 HydrophobicContact CB-CZ 4.27Å
138E77.1Confident90.6Very high172 Ų17263 Ų6380%0.80435%0.352SS*.  trans-96.7166.9177.2-63-177-174.700110.7K136 T141K136-E138 PolarHBondContact O-N 2.88Å; E138-T141 PolarHBondContact O-OG1 3.5Å
139G73.2Confident90.7Very high78 Ų7860.6 Ų60.680%0.80433%0.33SS*.THydrogen-bonded Turntrans77.3-154.6178.500000114.9T141G139-T141 PolarHBondContact O-N 2.98Å
140D78.3Confident90.6Very high86 Ų8658.9 Ų58.946%0.4632%0.322SS..THydrogen-bonded Turntrans-87.315.3-173.1-133.6-21.9000112.9R142 K233D140-R142 IonicContact OD1-NH2 3.58Å; D140-K233 HydrophobicContact CB-CB 4.48Å
141T87Confident90.5Very high37 Ų3759.2 Ų59.223%0.22732%0.324CS..  trans-73.6130.8-171.4-46.10000112E138 G139 F143 E232E138-T141 PolarHBondContact O-OG1 3.5Å; G139-T141 PolarHBondContact O-N 2.98Å; T141-F143 HydrophobicContact CG2-CD2 4.36Å; T141-F143 HydrophobicContact CG2-CE2 3.58Å; T141-F143 HydrophobicContact CG2-CZ 3.88Å; T141-E232 HydrophobicContact CG2-CB 4.4Å
142R89.2Confident90.3Very high155 Ų15557.9 Ų57.959%0.58532%0.318SS*.EExtended strand (participates in β ladder)trans-125.1134.8-177.5-56.1178.8-168.8-172.91.5111.2D140 S231D140-R142 IonicContact OD1-NH2 3.58Å; R142-S231 PolarHBondContact N-O 2.69Å; R142-S231 PolarHBondContact O-N 3.45Å
143F92.9Very high89.9Confident47 Ų4758.5 Ų58.521%0.20631%0.311CS..EExtended strand (participates in β ladder)trans-115.7139.1179.1-65.5-93.3000111.5I134 A137 T141 I228 E229 C230I134-F143 HydrophobicContact CB-CD2 4.35Å; I134-F143 HydrophobicContact CD1-CB 4.04Å; I134-F143 HydrophobicContact CD1-CD1 4.44Å; I134-F143 HydrophobicContact CD1-CG 4.24Å; I134-F143 HydrophobicContact CG1-CB 4.06Å; I134-F143 HydrophobicContact CG1-CD1 3.99Å; I134-F143 HydrophobicContact CG1-CD2 4.03Å; I134-F143 HydrophobicContact CG1-CE1 4.43Å; I134-F143 HydrophobicContact CG1-CE2 4.48Å; I134-F143 HydrophobicContact CG1-CG 3.76Å; I134-F143 HydrophobicContact CG2-CB 4.14Å; I134-F143 HydrophobicContact CG2-CD2 3.93Å; I134-F143 HydrophobicContact CG2-CG 4.2Å; A137-F143 HydrophobicContact CB-CE2 3.58Å; A137-F143 HydrophobicContact CB-CZ 4.27Å; T141-F143 HydrophobicContact CG2-CD2 4.36Å; T141-F143 HydrophobicContact CG2-CE2 3.58Å; T141-F143 HydrophobicContact CG2-CZ 3.88Å; F143-I228 HydrophobicContact CD1-CG2 3.97Å; F143-E229 CarbonylContact C-O 3.56Å; F143-E229 VanDerWaalsContact CA-O 3.3Å; F143-E229 WeakPolarHBondContact CA-O 3.39Å; F143-C230 HydrophobicContact CD1-CB 3.99Å; F143-C230 HydrophobicContact CE1-CB 3.8Å; F143-C230 VanDerWaalsContact CE1-SG 3.55Å
144L93.1Very high89.3Confident70 Ų7056.8 Ų56.837%0.36631%0.305SS..EExtended strand (participates in β ladder)trans-123.3114.2167.7174.562.4000108.8R146 V188 E229L144-R146 HydrophobicContact CG-CG 4.19Å; L144-V188 HydrophobicContact CD1-CG1 3.66Å; L144-V188 HydrophobicContact CD1-CG2 4.19Å; L144-E229 HydrophobicContact CB-CB 4.24Å; L144-E229 PolarHBondContact N-O 3.31Å; L144-E229 PolarHBondContact O-N 2.89Å
145V96.1Very high89.1Confident5 Ų556.6 Ų56.63%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-102.9126.2179.4-173.40000109.6F131 I134 V188 V189 I226 T227F131-V145 HydrophobicContact CE1-CG2 4.46Å; F131-V145 HydrophobicContact CZ-CB 4.42Å; F131-V145 HydrophobicContact CZ-CG2 4.36Å; I134-V145 HydrophobicContact CD1-CG2 3.6Å; V145-V188 WeakPolarHBondContact O-CA 3.23Å; V145-V189 HydrophobicContact CB-CG2 3.78Å; V145-V189 HydrophobicContact CG1-CG2 3.49Å; V145-V189 VanDerWaalsContact CG1-CG2 3.49Å; V145-V189 PolarHBondContact O-N 3.31Å; V145-I226 HydrophobicContact CG1-CG2 3.63Å; V145-T227 WeakPolarHBondContact CA-O 3.34Å
146R95.8Very high89Confident89 Ų8953.7 Ų53.734%0.33627%0.274SS..EExtended strand (participates in β ladder)trans-124134.5178.7-55.6-171-72.6160.12.2109.5L144 Y187 V188 T227 E229L144-R146 HydrophobicContact CG-CG 4.19Å; R146-Y187 CarbonylContact C-O 3.57Å; R146-Y187 WeakPolarHBondContact CA-O 3.49Å; R146-V188 HydrophobicContact CG-CG2 4.35Å; R146-T227 PolarHBondContact N-O 3.26Å; R146-T227 PolarHBondContact O-N 3.21Å; R146-E229 IonicContact CZ-OE1 2.76Å; R146-E229 IonicContact NE-OE1 3.06Å; R146-E229 PolarHBondContact NE-OE1 2.9Å; R146-E229 IonicContact NH2-OE1 3.89Å; R146-E229 PolarHBondContact NH2-OE1 3.32Å
147V96.6Very high89Confident0 Ų045.8 Ų45.80%024%0.24CC..EExtended strand (participates in β ladder)trans-120.8141.1178.9-64.40000112.3A186 Y187 V189 M195 I198 F224 T225 I226V147-A186 CarbonylContact O-C 3.41Å; V147-A186 WeakPolarHBondContact O-CA 3.19Å; V147-Y187 PolarHBondContact N-O 3.16Å; V147-Y187 PolarHBondContact O-N 3.33Å; V147-V189 HydrophobicContact CG1-CG2 4.09Å; V147-V189 HydrophobicContact CG2-CG1 3.76Å; V147-M195 HydrophobicContact CG1-CG 4.07Å; V147-M195 HydrophobicContact CG1-SD 3.66Å; V147-I198 HydrophobicContact CG2-CB 4.5Å; V147-I198 HydrophobicContact CG2-CD1 3.74Å; V147-I198 HydrophobicContact CG2-CG2 3.9Å; V147-F224 HydrophobicContact CB-CE1 4.29Å; V147-F224 HydrophobicContact CB-CZ 3.91Å; V147-F224 HydrophobicContact CG1-CE1 3.96Å; V147-F224 HydrophobicContact CG1-CZ 3.92Å; V147-F224 HydrophobicContact CG2-CZ 4.45Å; V147-T225 VanDerWaalsContact CA-O 3.32Å; V147-T225 WeakPolarHBondContact CA-O 3.41Å; V147-I226 HydrophobicContact CG1-CG1 4.24Å; V147-I226 HydrophobicContact CG1-CG2 4.23Å
148S95.5Very high89.3Confident13 Ų1346.3 Ų46.39%0.09123%0.233CC..EExtended strand (participates in β ladder)trans-133.7148.416864.50000109.8S185 T225S148-S185 WeakPolarHBondContact CB-O 3.37Å; S148-T225 PolarHBondContact N-O 3.41Å; S148-T225 PolarHBondContact O-N 2.89Å
149Y95.6Very high90.1Very high5 Ų538.6 Ų38.62%0.0220%0.197CC..EExtended strand (participates in β ladder)trans-139.7127.3-178.2-171.3-157.5000110L160 L161 M199 H203 A222 I223 F224Y149-L160 HydrophobicContact CD1-CB 4.05Å; Y149-L160 HydrophobicContact CD1-CD1 3.82Å; Y149-L160 HydrophobicContact CD2-CD1 4.01Å; Y149-L160 HydrophobicContact CE1-CD1 3.66Å; Y149-L160 HydrophobicContact CE2-CD1 3.91Å; Y149-L160 HydrophobicContact CG-CB 4.24Å; Y149-L160 HydrophobicContact CG-CD1 3.96Å; Y149-L160 WeakPolarHBondContact O-CB 3.29Å; Y149-L160 PolarHBondContact O-N 3.18Å; Y149-L161 HydrophobicContact CD1-CD2 4.38Å; Y149-M199 HydrophobicContact CD1-SD 4.21Å; Y149-M199 HydrophobicContact CE1-CE 4.12Å; Y149-M199 HydrophobicContact CE1-SD 3.9Å; Y149-M199 HydrophobicContact CE2-CE 4.27Å; Y149-H203 AromaticContact CE1-CD2 3.87Å; Y149-H203 PolarHBondContact OH-CD2 3.16Å; Y149-H203 PolarHBondContact OH-NE2 2.83Å; Y149-A222 HydrophobicContact CE2-CB 3.89Å; Y149-I223 WeakPolarHBondContact CD2-O 3.5Å; Y149-F224 AromaticContact CD1-CD2 3.97Å; Y149-F224 HydrophobicContact CD1-CD2 3.97Å; Y149-F224 HydrophobicContact CD1-CE2 4.48Å; Y149-F224 HydrophobicContact CD2-CB 3.78Å; Y149-F224 AromaticContact CD2-CD2 3.73Å; Y149-F224 HydrophobicContact CD2-CD2 3.73Å; Y149-F224 HydrophobicContact CD2-CG 4.25Å; Y149-F224 HydrophobicContact CE2-CB 4.04Å; Y149-F224 HydrophobicContact CE2-CD2 4.32Å; Y149-F224 HydrophobicContact CG-CB 4.47Å; Y149-F224 AromaticContact CG-CD2 3.54Å; Y149-F224 HydrophobicContact CG-CD2 3.54Å; Y149-F224 HydrophobicContact CG-CE2 4.29Å; Y149-F224 HydrophobicContact CG-CG 4.47Å
150L94.1Very high91Very high5 Ų535 Ų353%0.02616%0.16CC..EExtended strand (participates in β ladder)trans-137.1158.1-172.569.1101.9000112I152 V157 R158 I181 L184 A222 I223L150-I152 HydrophobicContact CD1-CD1 4.4Å; L150-I152 HydrophobicContact CD1-CG1 3.79Å; L150-V157 HydrophobicContact CD1-CG1 4.19Å; L150-R158 CarbonylContact C-O 3.58Å; L150-R158 VanDerWaalsContact CA-O 3.24Å; L150-R158 WeakPolarHBondContact CA-O 3.34Å; L150-R158 WeakPolarHBondContact CB-O 3.45Å; L150-I181 HydrophobicContact CD1-CD1 4.4Å; L150-I181 HydrophobicContact CD2-CD1 3.56Å; L150-L184 HydrophobicContact CB-CD1 4.23Å; L150-L184 HydrophobicContact CD2-CD2 4.04Å; L150-A222 WeakPolarHBondContact O-CA 3.42Å; L150-I223 HydrophobicContact CD1-CB 4.06Å; L150-I223 HydrophobicContact CD1-CD1 4.31Å; L150-I223 HydrophobicContact CD1-CG1 4.29Å; L150-I223 HydrophobicContact CD2-CB 4.23Å; L150-I223 HydrophobicContact CG-CB 3.95Å; L150-I223 PolarHBondContact N-O 2.89Å; L150-I223 VanDerWaalsContact N-O 3.16Å; L150-I223 PolarHBondContact O-N 3.14Å
151E92.3Very high91.7Very high7 Ų731.1 Ų31.13%0.03314%0.139CC..EExtended strand (participates in β ladder)trans-118.8137.9172.2-170.3173.6-125.900110.3R158 L160 R206 H216 S220 H221E151-R158 PolarHBondContact N-O 3.38Å; E151-R158 PolarHBondContact O-N 3.34Å; E151-L160 HydrophobicContact CB-CD1 4.15Å; E151-L160 HydrophobicContact CB-CD2 4Å; E151-L160 HydrophobicContact CB-CG 4.09Å; E151-R206 WeakPolarHBondContact OE1-CD 3.49Å; E151-R206 WeakPolarHBondContact OE1-CG 3.44Å; E151-R206 IonicContact OE1-CZ 3.35Å; E151-R206 IonicContact OE1-NE 3.19Å; E151-R206 PolarHBondContact OE1-NE 3.06Å; E151-R206 IonicContact OE1-NH2 3.61Å; E151-H216 IonicContact OE1-CE1 3.89Å; E151-H216 PolarHBondContact OE1-CE1 3.34Å; E151-H216 IonicContact OE1-ND1 3Å; E151-H216 PolarHBondContact OE1-ND1 2.83Å; E151-H216 IonicContact OE2-CE1 3.88Å; E151-H216 PolarHBondContact OE2-CE1 3.45Å; E151-H216 VanDerWaalsContact OE2-CE1 3.25Å; E151-H216 IonicContact OE2-ND1 2.67Å; E151-S220 VanDerWaalsContact OE1-CB 3.25Å; E151-S220 WeakPolarHBondContact OE1-CB 3.46Å; E151-S220 PolarHBondContact OE1-OG 3.27Å; E151-H221 CarbonylContact C-O 3.58Å; E151-H221 WeakPolarHBondContact CA-O 3.47Å
152I91.2Very high91.7Very high3 Ų330 Ų302%0.01514%0.135CC..EExtended strand (participates in β ladder)trans-108.6113.1167.8-46.9178.6000107.4L150 E156 V157 S220 H221 I223 K301 L302 L305L150-I152 HydrophobicContact CD1-CD1 4.4Å; L150-I152 HydrophobicContact CD1-CG1 3.79Å; I152-E156 WeakPolarHBondContact CA-O 3.24Å; I152-V157 HydrophobicContact CG1-CG2 4.49Å; I152-S220 WeakPolarHBondContact O-CA 3.46Å; I152-H221 HydrophobicContact CB-CB 4.28Å; I152-H221 PolarHBondContact N-O 3.43Å; I152-H221 PolarHBondContact O-N 2.96Å; I152-I223 HydrophobicContact CD1-CD1 4Å; I152-K301 HydrophobicContact CG2-CB 4.42Å; I152-L302 HydrophobicContact CD1-CB 4.12Å; I152-L302 HydrophobicContact CD1-CD1 4Å; I152-L305 HydrophobicContact CD1-CD1 3.73Å
153Y86.5Confident91.4Very high43 Ų4333 Ų3317%0.16915%0.152CC..EExtended strand (participates in β ladder)trans-138.8135.4-179.3171.7-103.3000109E155 E156 H216 R219 E269Y153-E155 PolarHBondContact O-N 2.88Å; Y153-E155 VanDerWaalsContact O-N 3.16Å; Y153-E156 PolarHBondContact N-O 3.06Å; Y153-E156 WeakPolarHBondContact O-CA 3.42Å; Y153-E156 VanDerWaalsContact O-CB 3.32Å; Y153-E156 WeakPolarHBondContact O-CB 3.34Å; Y153-E156 PolarHBondContact O-N 3.04Å; Y153-H216 AromaticContact CD1-NE2 3.96Å; Y153-H216 AromaticContact CD2-CE1 3.77Å; Y153-H216 AromaticContact CD2-NE2 3.51Å; Y153-H216 AromaticContact CE1-NE2 3.93Å; Y153-H216 AromaticContact CE2-NE2 3.48Å; Y153-H216 WeakPolarHBondContact CE2-NE2 3.32Å; Y153-H216 AromaticContact CG-CE1 3.87Å; Y153-H216 AromaticContact CG-NE2 3.74Å; Y153-H216 AromaticContact CZ-NE2 3.67Å; Y153-R219 WeakPolarHBondContact CD2-O 3.48Å; Y153-E269 HydrophobicContact CE2-CG 3.98Å; Y153-E269 WeakPolarHBondContact CE2-OE1 3.41Å; Y153-E269 PolarHBondContact OH-OE1 2.94Å
154N81.3Confident91Very high40 Ų4034.5 Ų34.521%0.21416%0.162CC..THydrogen-bonded Turntrans58.625.2179-16262.3000114.4E156 K272N154-E156 PolarHBondContact ND2-OE1 3.02Å; N154-E156 PolarHBondContact O-N 3.15Å; N154-K272 HydrophobicContact CB-CD 4.46Å; N154-K272 PolarHBondContact ND2-NZ 2.93Å; N154-K272 WeakPolarHBondContact O-CD 3.16Å; N154-K272 PolarHBondContact O-NZ 3.46Å; N154-K272 WeakPolarHBondContact OD1-CD 3.34Å
155E87Confident90.4Very high35 Ų3533.7 Ų33.716%0.16416%0.157CC..THydrogen-bonded Turntrans61.416.9-167.2-72.8-69.8133.900115.1Y153 L275 S276 S300 K301Y153-E155 PolarHBondContact O-N 2.88Å; Y153-E155 VanDerWaalsContact O-N 3.16Å; E155-L275 HydrophobicContact CG-CD2 4.3Å; E155-S276 WeakPolarHBondContact OE1-CB 3.39Å; E155-S300 WeakPolarHBondContact OE1-CB 3.41Å; E155-S300 PolarHBondContact OE1-OG 2.8Å; E155-S300 WeakPolarHBondContact OE2-CA 3.24Å; E155-S300 PolarHBondContact OE2-OG 2.81Å; E155-K301 WeakPolarHBondContact O-CG 3.27Å; E155-K301 WeakPolarHBondContact OE2-CG 3.49Å; E155-K301 PolarHBondContact OE2-N 3.46Å
156E88.6Confident89.6Confident27 Ų2738.8 Ų38.813%0.12619%0.188CC..EExtended strand (participates in β ladder)trans-100.3139.6170.4-58.1161.6-149.300109.6I152 Y153 N154 R158 R168I152-E156 WeakPolarHBondContact CA-O 3.24Å; Y153-E156 PolarHBondContact N-O 3.06Å; Y153-E156 WeakPolarHBondContact O-CA 3.42Å; Y153-E156 VanDerWaalsContact O-CB 3.32Å; Y153-E156 WeakPolarHBondContact O-CB 3.34Å; Y153-E156 PolarHBondContact O-N 3.04Å; N154-E156 PolarHBondContact ND2-OE1 3.02Å; N154-E156 PolarHBondContact O-N 3.15Å; E156-R158 IonicContact OE2-CZ 2.95Å; E156-R158 IonicContact OE2-NE 3.3Å; E156-R158 IonicContact OE2-NH2 2.66Å; E156-R158 PolarHBondContact OE2-NH2 3.4Å; E156-R168 HydrophobicContact CB-CG 4.46Å; E156-R168 IonicContact OE1-CZ 3.14Å; E156-R168 IonicContact OE1-NE 3.98Å; E156-R168 IonicContact OE1-NH2 3.75Å; E156-R168 PolarHBondContact OE1-NH2 3.28Å; E156-R168 IonicContact OE2-CZ 3.62Å; E156-R168 IonicContact OE2-NE 2.74Å; E156-R168 PolarHBondContact OE2-NE 3.32Å; E156-R168 IonicContact OE2-NH2 3.88Å; E156-R168 PolarHBondContact OE2-NH2 3.4Å
157V91.8Very high89.1Confident3 Ų338.8 Ų38.82%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-98.6130.6172.6-179.60000109.2L150 I152 L169 V171 I181 K301 L305L150-V157 HydrophobicContact CD1-CG1 4.19Å; I152-V157 HydrophobicContact CG1-CG2 4.49Å; V157-L169 HydrophobicContact CB-CB 4.47Å; V157-L169 HydrophobicContact CG1-CB 4.31Å; V157-L169 PolarHBondContact O-N 3.5Å; V157-V171 HydrophobicContact CG2-CG2 3.89Å; V157-I181 HydrophobicContact CG1-CD1 3.9Å; V157-I181 HydrophobicContact CG1-CG1 4.46Å; V157-I181 HydrophobicContact CG1-CG2 4.27Å; V157-K301 HydrophobicContact CG2-CB 4.16Å; V157-K301 HydrophobicContact CG2-CG 4.35Å; V157-L305 HydrophobicContact CG2-CD1 4.48Å
158R91.5Very high88.7Confident52 Ų5246.6 Ų46.620%0.19622%0.221CC..EExtended strand (participates in β ladder)trans-126.9142176.7-61.8-179.7-171.3155.74.6110.5L150 E151 E156L150-R158 CarbonylContact C-O 3.58Å; L150-R158 VanDerWaalsContact CA-O 3.24Å; L150-R158 WeakPolarHBondContact CA-O 3.34Å; L150-R158 WeakPolarHBondContact CB-O 3.45Å; E151-R158 PolarHBondContact N-O 3.38Å; E151-R158 PolarHBondContact O-N 3.34Å; E156-R158 IonicContact OE2-CZ 2.95Å; E156-R158 IonicContact OE2-NE 3.3Å; E156-R158 IonicContact OE2-NH2 2.66Å; E156-R158 PolarHBondContact OE2-NH2 3.4Å
159D94.1Very high88.5Confident11 Ų1146.9 Ų46.96%0.05922%0.222CC..EExtended strand (participates in β ladder)trans-90.5113.7177178.4-10.2000110L161 G162 Q165 L169 L184 S185D159-L161 PolarHBondContact O-N 2.88Å; D159-L161 WeakPolarHBondContact OD1-CA 3.45Å; D159-L161 PolarHBondContact OD1-N 2.86Å; D159-G162 VanDerWaalsContact CG-N 3.27Å; D159-G162 PolarHBondContact O-N 2.92Å; D159-G162 PolarHBondContact OD1-N 3.05Å; D159-Q165 VanDerWaalsContact O-CD 3.32Å; D159-Q165 PolarHBondContact O-NE2 3.43Å; D159-Q165 PolarHBondContact O-OE1 3.32Å; D159-L169 HydrophobicContact CB-CD1 3.82Å; D159-L184 HydrophobicContact CB-CD1 3.84Å; D159-S185 VanDerWaalsContact CG-OG 3.26Å; D159-S185 PolarHBondContact OD1-OG 2.89Å; D159-S185 WeakPolarHBondContact OD2-CA 3.48Å; D159-S185 WeakPolarHBondContact OD2-CB 3.33Å; D159-S185 PolarHBondContact OD2-N 3.5Å; D159-S185 PolarHBondContact OD2-OG 3.43Å
160L92.6Very high88.2Confident2 Ų251.8 Ų51.81%0.0125%0.245CC..SBendtrans-74.7-10.4-178.1-65.5176.8000113.4Y149 E151 G202 N205 R206Y149-L160 HydrophobicContact CD1-CB 4.05Å; Y149-L160 HydrophobicContact CD1-CD1 3.82Å; Y149-L160 HydrophobicContact CD2-CD1 4.01Å; Y149-L160 HydrophobicContact CE1-CD1 3.66Å; Y149-L160 HydrophobicContact CE2-CD1 3.91Å; Y149-L160 HydrophobicContact CG-CB 4.24Å; Y149-L160 HydrophobicContact CG-CD1 3.96Å; Y149-L160 WeakPolarHBondContact O-CB 3.29Å; Y149-L160 PolarHBondContact O-N 3.18Å; E151-L160 HydrophobicContact CB-CD1 4.15Å; E151-L160 HydrophobicContact CB-CD2 4Å; E151-L160 HydrophobicContact CB-CG 4.09Å; L160-G202 WeakPolarHBondContact O-CA 3.49Å; L160-N205 PolarHBondContact O-ND2 2.91Å; L160-R206 HydrophobicContact CD1-CB 4.38Å; L160-R206 HydrophobicContact CD2-CB 3.97Å; L160-R206 HydrophobicContact CD2-CG 4.36Å
161L93.1Very high88.1Confident4 Ų452.3 Ų52.32%0.02125%0.248CC..SBendtrans-109.4-10.7178.4-47.2-178.6000112.8Y149 D159 Y187 I198Y149-L161 HydrophobicContact CD1-CD2 4.38Å; D159-L161 PolarHBondContact O-N 2.88Å; D159-L161 WeakPolarHBondContact OD1-CA 3.45Å; D159-L161 PolarHBondContact OD1-N 2.86Å; L161-Y187 HydrophobicContact CB-CD2 4Å; L161-Y187 HydrophobicContact CB-CE2 3.49Å; L161-Y187 VanDerWaalsContact CB-CE2 3.49Å; L161-Y187 HydrophobicContact CD1-CD2 3.82Å; L161-Y187 HydrophobicContact CD1-CE2 4.21Å; L161-Y187 PolarHBondContact O-OH 3.16Å; L161-I198 HydrophobicContact CD1-CG2 3.48Å; L161-I198 VanDerWaalsContact CD1-CG2 3.48Å; L161-I198 HydrophobicContact CD2-CG2 3.61Å; L161-I198 WeakPolarHBondContact CD2-O 3.45Å; L161-I198 HydrophobicContact CG-CG2 4.19Å
162G86.9Confident87.9Confident15 Ų1555.6 Ų55.616%0.15526%0.262CS..SBendtrans-65155.9178.100000113.7D159 D164 Q165D159-G162 VanDerWaalsContact CG-N 3.27Å; D159-G162 PolarHBondContact O-N 2.92Å; D159-G162 PolarHBondContact OD1-N 3.05Å; G162-D164 VanDerWaalsContact C-N 3.32Å; G162-D164 PolarHBondContact O-N 2.74Å; G162-Q165 PolarHBondContact O-NE2 2.82Å
163K83.1Confident87.7Confident217 Ų21759 Ų5994%0.94328%0.278SS*.SBendtrans-68.7-30178.9-67179.3-179174.80113.2
164D84.6Confident87.4Confident78 Ų7863 Ų6342%0.41729%0.293SS..  trans-114.9110.3176.5-176.9-2.4000109.5G162 T166 Q167G162-D164 VanDerWaalsContact C-N 3.32Å; G162-D164 PolarHBondContact O-N 2.74Å; D164-T166 VanDerWaalsContact C-N 3.25Å; D164-T166 PolarHBondContact O-N 2.93Å; D164-T166 WeakPolarHBondContact OD1-CA 3.33Å; D164-T166 WeakPolarHBondContact OD1-CB 3.4Å; D164-T166 PolarHBondContact OD1-N 3.19Å; D164-T166 PolarHBondContact OD1-OG1 3.35Å; D164-T166 PolarHBondContact OD2-OG1 3.27Å; D164-Q167 HydrophobicContact CB-CB 4.25Å; D164-Q167 PolarHBondContact OD1-N 3.38Å
165Q79.9Confident87.1Confident53 Ų5368 Ų6825%0.24833%0.328CS..SBendtrans-80.8-4.9179.1-65-62.9-53.700113D159 G162 N205D159-Q165 VanDerWaalsContact O-CD 3.32Å; D159-Q165 PolarHBondContact O-NE2 3.43Å; D159-Q165 PolarHBondContact O-OE1 3.32Å; G162-Q165 PolarHBondContact O-NE2 2.82Å; Q165-N205 HydrophobicContact CG-CB 4.09Å; Q165-N205 PolarHBondContact NE2-ND2 2.81Å
166T79.4Confident86.3Confident112 Ų11272 Ų7269%0.68735%0.35SS*.SBendtrans-94.4-16.9175.275.20000112.7D164 R168D164-T166 VanDerWaalsContact C-N 3.25Å; D164-T166 PolarHBondContact O-N 2.93Å; D164-T166 WeakPolarHBondContact OD1-CA 3.33Å; D164-T166 WeakPolarHBondContact OD1-CB 3.4Å; D164-T166 PolarHBondContact OD1-N 3.19Å; D164-T166 PolarHBondContact OD1-OG1 3.35Å; D164-T166 PolarHBondContact OD2-OG1 3.27Å; T166-R168 PolarHBondContact O-N 3.13Å
167Q85.3Confident85.5Confident90 Ų9074.5 Ų74.542%0.42137%0.367SS..PPolyproline II helixtrans-63.1129.3177.4-172.7178.5-11.100111D164 L169D164-Q167 HydrophobicContact CB-CB 4.25Å; D164-Q167 PolarHBondContact OD1-N 3.38Å; Q167-L169 HydrophobicContact CG-CD2 4.04Å
168R87.9Confident85Confident164 Ų16475.5 Ų75.562%0.61938%0.378SS*.PPolyproline II helixtrans-93131.7172.4-67.1172.1169.2162.4-7109.3E156 T166E156-R168 HydrophobicContact CB-CG 4.46Å; E156-R168 IonicContact OE1-CZ 3.14Å; E156-R168 IonicContact OE1-NE 3.98Å; E156-R168 IonicContact OE1-NH2 3.75Å; E156-R168 PolarHBondContact OE1-NH2 3.28Å; E156-R168 IonicContact OE2-CZ 3.62Å; E156-R168 IonicContact OE2-NE 2.74Å; E156-R168 PolarHBondContact OE2-NE 3.32Å; E156-R168 IonicContact OE2-NH2 3.88Å; E156-R168 PolarHBondContact OE2-NH2 3.4Å; T166-R168 PolarHBondContact O-N 3.13Å
169L91.6Very high84.8Confident18 Ų1873.8 Ų73.89%0.09437%0.373CS..BIsolated β-bridgetrans-103.3150.1179.8-58.8-172.3000113V157 D159 Q167 I181 D183 L184V157-L169 HydrophobicContact CB-CB 4.47Å; V157-L169 HydrophobicContact CG1-CB 4.31Å; V157-L169 PolarHBondContact O-N 3.5Å; D159-L169 HydrophobicContact CB-CD1 3.82Å; Q167-L169 HydrophobicContact CG-CD2 4.04Å; L169-I181 HydrophobicContact CB-CG2 3.49Å; L169-I181 VanDerWaalsContact CB-CG2 3.49Å; L169-I181 HydrophobicContact CD1-CG2 3.74Å; L169-I181 HydrophobicContact CG-CG2 4.28Å; L169-D183 HydrophobicContact CD2-CB 4.37Å; L169-L184 HydrophobicContact CD1-CB 4Å; L169-L184 HydrophobicContact CD1-CD1 3.99Å
170E90.1Very high84.6Confident109 Ų10976.1 Ų76.151%0.50938%0.382SS..PPolyproline II helixtrans-96.6126.8-176.7-62.2-178.8135.300111.5K172 K182E170-K172 HydrophobicContact CB-CG 4.31Å; E170-K172 PolarHBondContact O-N 3.01Å; E170-K172 WeakPolarHBondContact OE2-CE 3.34Å; E170-K172 IonicContact OE2-NZ 3.41Å; E170-K172 PolarHBondContact OE2-NZ 3.45Å; E170-K182 HydrophobicContact CB-CB 4.46Å; E170-K182 PolarHBondContact O-N 2.81Å
171V91.3Very high84.5Confident15 Ų1576.9 Ų76.99%0.09139%0.386CS..EExtended strand (participates in β ladder)trans-80.9114.3170.3-177.50000109.5V157 V179 I181 K301 R304 L305V157-V171 HydrophobicContact CG2-CG2 3.89Å; V171-V179 HydrophobicContact CG1-CG1 3.5Å; V171-V179 VanDerWaalsContact CG1-CG1 3.5Å; V171-I181 HydrophobicContact CG2-CG1 4.31Å; V171-K301 HydrophobicContact CG2-CB 4.26Å; V171-K301 HydrophobicContact CG2-CD 4.25Å; V171-K301 HydrophobicContact CG2-CG 4.49Å; V171-R304 HydrophobicContact CG1-CB 4.17Å; V171-R304 PolarHBondContact O-NH1 3.4Å; V171-L305 HydrophobicContact CG1-CD2 4.1Å; V171-L305 HydrophobicContact CG1-CG 4.38Å; V171-L305 HydrophobicContact CG2-CD1 4.23Å; V171-L305 HydrophobicContact CG2-CD2 4.33Å; V171-L305 HydrophobicContact CG2-CG 4.32Å
172K89.1Confident84.4Confident76 Ų7680.6 Ų80.633%0.3340%0.402SS..EExtended strand (participates in β ladder)trans-118.4171.8-179.5-57-154.6-176.4-156.30111E170 V179 Y180 K182E170-K172 HydrophobicContact CB-CG 4.31Å; E170-K172 PolarHBondContact O-N 3.01Å; E170-K172 WeakPolarHBondContact OE2-CE 3.34Å; E170-K172 IonicContact OE2-NZ 3.41Å; E170-K172 PolarHBondContact OE2-NZ 3.45Å; K172-V179 WeakPolarHBondContact O-CA 3.5Å; K172-Y180 HydrophobicContact CB-CD1 4.33Å; K172-Y180 HydrophobicContact CB-CE1 3.62Å; K172-Y180 HydrophobicContact CB-CE2 4.35Å; K172-Y180 PolarHBondContact N-O 2.91Å; K172-Y180 WeakPolarHBondContact O-CD1 3.34Å; K172-Y180 PolarHBondContact O-N 2.77Å; K172-K182 HydrophobicContact CD-CB 4.33Å; K172-K182 HydrophobicContact CG-CB 4.38Å
173E85.8Confident84.5Confident75 Ų7584.6 Ų84.635%0.3542%0.42SS..EExtended strand (participates in β ladder)trans-140.9139.2-170.4-163.4169.6149.700107.2G178 V179 R298 R304E173-G178 WeakPolarHBondContact CA-O 3.29Å; E173-V179 HydrophobicContact CG-CG2 4.12Å; E173-R298 IonicContact OE1-NH2 2.68Å; E173-R298 PolarHBondContact OE1-NH2 3.1Å; E173-R298 VanDerWaalsContact OE1-NH2 3.16Å; E173-R298 IonicContact OE2-CZ 3.56Å; E173-R298 IonicContact OE2-NE 2.57Å; E173-R298 IonicContact OE2-NH2 3.63Å; E173-R298 PolarHBondContact OE2-NH2 3.36Å; E173-R298 VanDerWaalsContact OE2-NH2 3.16Å; E173-R304 IonicContact OE2-CZ 3.72Å; E173-R304 IonicContact OE2-NE 2.66Å; E173-R304 IonicContact OE2-NH2 2.67Å; E173-R304 PolarHBondContact OE2-NH2 3.38Å
174R80.6Confident84.9Confident127 Ų12776.3 Ų76.348%0.47939%0.385SS..EExtended strand (participates in β ladder)trans-142.2153.3170.3-69.1173.5-173.4-162.21.8110D176 G178 Y180R174-D176 VanDerWaalsContact C-N 3.25Å; R174-D176 WeakPolarHBondContact CB-OD1 3.31Å; R174-D176 WeakPolarHBondContact CD-OD1 3.44Å; R174-D176 PolarHBondContact O-N 2.92Å; R174-G178 PolarHBondContact N-O 2.9Å; R174-G178 WeakPolarHBondContact O-CA 3.24Å; R174-G178 PolarHBondContact O-N 3.06Å; R174-Y180 HydrophobicContact CB-CE1 4.42Å; R174-Y180 HydrophobicContact CG-CE1 3.75Å; R174-Y180 PolarHBondContact NE-OH 3.37Å
175P74.7Confident85.3Confident146 Ų14673.9 Ų73.995%0.94838%0.375SS*.THydrogen-bonded Turntrans-66.1-21.2178.9-21.534.1000115.3
176D69.9Low85.8Confident119 Ų11974.4 Ų74.464%0.63639%0.388SS*.THydrogen-bonded Turntrans-89.4-40.9-176.659.8-17.4000113.3R174R174-D176 VanDerWaalsContact C-N 3.25Å; R174-D176 WeakPolarHBondContact CB-OD1 3.31Å; R174-D176 WeakPolarHBondContact CD-OD1 3.44Å; R174-D176 PolarHBondContact O-N 2.92Å
177V72.7Confident86.6Confident78 Ų7873.3 Ų73.347%0.47337%0.372SS..THydrogen-bonded Turntrans-107.8-13.3-173.4176.90000113
178G81.7Confident87Confident25 Ų2572.9 Ų72.926%0.25838%0.375SS..EExtended strand (participates in β ladder)trans77-142.4-172.300000112.1E173 R174E173-G178 WeakPolarHBondContact CA-O 3.29Å; R174-G178 PolarHBondContact N-O 2.9Å; R174-G178 WeakPolarHBondContact O-CA 3.24Å; R174-G178 PolarHBondContact O-N 3.06Å
179V87.4Confident87.3Confident15 Ų1565.2 Ų65.29%0.09135%0.347CS..EExtended strand (participates in β ladder)trans-84130.9177.2-176.50000110.3V171 K172 E173 R304 L305V171-V179 HydrophobicContact CG1-CG1 3.5Å; V171-V179 VanDerWaalsContact CG1-CG1 3.5Å; K172-V179 WeakPolarHBondContact O-CA 3.5Å; E173-V179 HydrophobicContact CG-CG2 4.12Å; V179-R304 HydrophobicContact CG1-CB 4.3Å; V179-R304 WeakPolarHBondContact CG1-O 3.23Å; V179-L305 HydrophobicContact CG1-CD2 4.2Å
180Y88.5Confident87.3Confident61 Ų6170.3 Ų70.324%0.23937%0.374CS..EExtended strand (participates in β ladder)trans-144.3164.6-179.671.9-70.4000111.1K172 R174K172-Y180 HydrophobicContact CB-CD1 4.33Å; K172-Y180 HydrophobicContact CB-CE1 3.62Å; K172-Y180 HydrophobicContact CB-CE2 4.35Å; K172-Y180 PolarHBondContact N-O 2.91Å; K172-Y180 WeakPolarHBondContact O-CD1 3.34Å; K172-Y180 PolarHBondContact O-N 2.77Å; R174-Y180 HydrophobicContact CB-CE1 4.42Å; R174-Y180 HydrophobicContact CG-CE1 3.75Å; R174-Y180 PolarHBondContact NE-OH 3.37Å
181I92Very high87.4Confident18 Ų1867.8 Ų67.89%0.09236%0.364CS..EExtended strand (participates in β ladder)trans-103.5125.4175.7-62.5159.5000108L150 V157 L169 V171 L184 L305L150-I181 HydrophobicContact CD1-CD1 4.4Å; L150-I181 HydrophobicContact CD2-CD1 3.56Å; V157-I181 HydrophobicContact CG1-CD1 3.9Å; V157-I181 HydrophobicContact CG1-CG1 4.46Å; V157-I181 HydrophobicContact CG1-CG2 4.27Å; L169-I181 HydrophobicContact CB-CG2 3.49Å; L169-I181 VanDerWaalsContact CB-CG2 3.49Å; L169-I181 HydrophobicContact CD1-CG2 3.74Å; L169-I181 HydrophobicContact CG-CG2 4.28Å; V171-I181 HydrophobicContact CG2-CG1 4.31Å; I181-L184 HydrophobicContact CB-CB 4Å; I181-L184 HydrophobicContact CB-CD2 4.22Å; I181-L184 HydrophobicContact CD1-CD2 4.06Å; I181-L184 HydrophobicContact CG2-CB 3.88Å; I181-L305 HydrophobicContact CD1-CD1 3.98Å; I181-L305 HydrophobicContact CD1-CD2 3.73Å; I181-L305 HydrophobicContact CG1-CD1 4.46Å; I181-L305 HydrophobicContact CG1-CD2 3.64Å
182K89.3Confident87.5Confident81 Ų8168.4 Ų68.435%0.35237%0.37SS..THydrogen-bonded Turntrans-70136.8176.5-161.8-143.9168-136.50109.5E170 K172 L184E170-K182 HydrophobicContact CB-CB 4.46Å; E170-K182 PolarHBondContact O-N 2.81Å; K172-K182 HydrophobicContact CD-CB 4.33Å; K172-K182 HydrophobicContact CG-CB 4.38Å; K182-L184 PolarHBondContact O-N 3.05Å
183D89.2Confident87.6Confident100 Ų10070 Ų7054%0.53538%0.383SS..THydrogen-bonded Turntrans60.517176.5-42.3-35.5000116L169L169-D183 HydrophobicContact CD2-CB 4.37Å
184L92.7Very high88Confident42 Ų4267.7 Ų67.722%0.2237%0.373CS..  trans-66.3129.4171179.566.7000110.5L150 D159 L169 I181 K182L150-L184 HydrophobicContact CB-CD1 4.23Å; L150-L184 HydrophobicContact CD2-CD2 4.04Å; D159-L184 HydrophobicContact CB-CD1 3.84Å; L169-L184 HydrophobicContact CD1-CB 4Å; L169-L184 HydrophobicContact CD1-CD1 3.99Å; I181-L184 HydrophobicContact CB-CB 4Å; I181-L184 HydrophobicContact CB-CD2 4.22Å; I181-L184 HydrophobicContact CD1-CD2 4.06Å; I181-L184 HydrophobicContact CG2-CB 3.88Å; K182-L184 PolarHBondContact O-N 3.05Å
185S92.4Very high88.5Confident28 Ų2861.7 Ų61.720%0.19635%0.35CS..  trans-71.9142.7177.169.70000112.2S148 D159 Y187S148-S185 WeakPolarHBondContact CB-O 3.37Å; D159-S185 VanDerWaalsContact CG-OG 3.26Å; D159-S185 PolarHBondContact OD1-OG 2.89Å; D159-S185 WeakPolarHBondContact OD2-CA 3.48Å; D159-S185 WeakPolarHBondContact OD2-CB 3.33Å; D159-S185 PolarHBondContact OD2-N 3.5Å; D159-S185 PolarHBondContact OD2-OG 3.43Å; S185-Y187 WeakPolarHBondContact OG-CE2 3.25Å
186A91.3Very high89.3Confident63 Ų6356 Ų5652%0.52131%0.312SS..  trans-133.1129.217500000109V147V147-A186 CarbonylContact O-C 3.41Å; V147-A186 WeakPolarHBondContact O-CA 3.19Å
187Y94.3Very high90.4Very high89 Ų8957.8 Ų57.835%0.34931%0.309SS..EExtended strand (participates in β ladder)trans-110.7133.7-176.2-72.6-99000110.1R146 V147 L161 S185 I198R146-Y187 CarbonylContact C-O 3.57Å; R146-Y187 WeakPolarHBondContact CA-O 3.49Å; V147-Y187 PolarHBondContact N-O 3.16Å; V147-Y187 PolarHBondContact O-N 3.33Å; L161-Y187 HydrophobicContact CB-CD2 4Å; L161-Y187 HydrophobicContact CB-CE2 3.49Å; L161-Y187 VanDerWaalsContact CB-CE2 3.49Å; L161-Y187 HydrophobicContact CD1-CD2 3.82Å; L161-Y187 HydrophobicContact CD1-CE2 4.21Å; L161-Y187 PolarHBondContact O-OH 3.16Å; S185-Y187 WeakPolarHBondContact OG-CE2 3.25Å; Y187-I198 HydrophobicContact CG-CD1 4.4Å
188V94.6Very high91.3Very high81 Ų8155.1 Ų55.149%0.49129%0.293SS..EExtended strand (participates in β ladder)trans-76.4137.4172.2179.20000109.2L144 V145 R146L144-V188 HydrophobicContact CD1-CG1 3.66Å; L144-V188 HydrophobicContact CD1-CG2 4.19Å; V145-V188 WeakPolarHBondContact O-CA 3.23Å; R146-V188 HydrophobicContact CG-CG2 4.35Å
189V94.5Very high91.8Very high4 Ų454.1 Ų54.12%0.02428%0.281CS..EExtended strand (participates in β ladder)trans-129.3140.9-179.7-68.40000110.9F131 V145 V147 D194 M195 I198F131-V189 HydrophobicContact CE2-CG2 4.46Å; F131-V189 HydrophobicContact CZ-CB 4.49Å; F131-V189 HydrophobicContact CZ-CG2 4.15Å; V145-V189 HydrophobicContact CB-CG2 3.78Å; V145-V189 HydrophobicContact CG1-CG2 3.49Å; V145-V189 VanDerWaalsContact CG1-CG2 3.49Å; V145-V189 PolarHBondContact O-N 3.31Å; V147-V189 HydrophobicContact CG1-CG2 4.09Å; V147-V189 HydrophobicContact CG2-CG1 3.76Å; V189-D194 HydrophobicContact CB-CB 3.87Å; V189-D194 HydrophobicContact CG1-CB 3.79Å; V189-M195 HydrophobicContact CB-CG 4.09Å; V189-M195 HydrophobicContact CG1-CG 4.12Å; V189-M195 HydrophobicContact CG2-CG 3.74Å; V189-M195 HydrophobicContact CG2-SD 4.28Å; V189-I198 HydrophobicContact CG1-CD1 3.42Å; V189-I198 VanDerWaalsContact CG1-CD1 3.42Å
190N91.5Very high91.9Very high125 Ų12557 Ų5767%0.66830%0.299SS*.SBendtrans-115.9-12.3-172.5-52.8-82.3000113F131 D194F131-N190 WeakPolarHBondContact CE1-O 3.47Å; N190-D194 PolarHBondContact N-OD2 3.47Å
191N92.8Very high92.1Very high55 Ų5557.7 Ų57.729%0.29431%0.306SS..SBendtrans-154.1169.4178.762.574.7000111F131 D193 D194F131-N191 WeakPolarHBondContact CE2-O 3.25Å; F131-N191 VanDerWaalsContact CZ-N 3.32Å; N191-D193 VanDerWaalsContact C-N 3.33Å; N191-D193 PolarHBondContact O-N 2.67Å; N191-D193 WeakPolarHBondContact OD1-CA 3.29Å; N191-D193 WeakPolarHBondContact OD1-CB 3.44Å; N191-D193 PolarHBondContact OD1-N 3.23Å; N191-D194 PolarHBondContact N-OD2 3.15Å; N191-D194 PolarHBondContact ND2-OD1 3.14Å; N191-D194 PolarHBondContact ND2-OD2 3.04Å; N191-D194 WeakPolarHBondContact O-CB 3.45Å; N191-D194 PolarHBondContact O-N 3.43Å; N191-D194 PolarHBondContact OD1-N 3.36Å; N191-D194 PolarHBondContact OD1-OD1 3.34Å
192A92.6Very high92Very high28 Ų2856.9 Ų56.923%0.23130%0.302CS..Hα-helixtrans-66.3-31.7-178.100000113.4F127 F131 D194 M195 D196F127-A192 HydrophobicContact CB-CB 4.33Å; F131-A192 HydrophobicContact CD2-CB 4.07Å; F131-A192 VanDerWaalsContact CD2-N 3.29Å; A192-D194 VanDerWaalsContact C-N 3.31Å; A192-D194 PolarHBondContact O-N 3.09Å; A192-M195 PolarHBondContact O-N 2.9Å; A192-D196 PolarHBondContact O-N 3.25Å
193D91.7Very high91.8Very high110 Ų11054.7 Ų54.759%0.58829%0.293SS*.Hα-helixtrans-70.8-25.9177.9-55.3-50.5000112.1N191 R197N191-D193 VanDerWaalsContact C-N 3.33Å; N191-D193 PolarHBondContact O-N 2.67Å; N191-D193 WeakPolarHBondContact OD1-CA 3.29Å; N191-D193 WeakPolarHBondContact OD1-CB 3.44Å; N191-D193 PolarHBondContact OD1-N 3.23Å; D193-R197 VanDerWaalsContact O-CB 3.25Å; D193-R197 WeakPolarHBondContact O-CB 3.4Å; D193-R197 WeakPolarHBondContact O-CG 3.41Å; D193-R197 PolarHBondContact O-N 3.29Å; D193-R197 PolarHBondContact O-NE 3.17Å; D193-R197 VanDerWaalsContact O-NE 3.07Å
194D92.8Very high91.6Very high27 Ų2756.7 Ų56.714%0.14430%0.297CS..Hα-helixtrans-63.3-46.5168.1-62.2-14.2000110.4V189 N190 N191 A192 R197 I198V189-D194 HydrophobicContact CB-CB 3.87Å; V189-D194 HydrophobicContact CG1-CB 3.79Å; N190-D194 PolarHBondContact N-OD2 3.47Å; N191-D194 PolarHBondContact N-OD2 3.15Å; N191-D194 PolarHBondContact ND2-OD1 3.14Å; N191-D194 PolarHBondContact ND2-OD2 3.04Å; N191-D194 WeakPolarHBondContact O-CB 3.45Å; N191-D194 PolarHBondContact O-N 3.43Å; N191-D194 PolarHBondContact OD1-N 3.36Å; N191-D194 PolarHBondContact OD1-OD1 3.34Å; A192-D194 VanDerWaalsContact C-N 3.31Å; A192-D194 PolarHBondContact O-N 3.09Å; D194-R197 PolarHBondContact O-N 3.03Å; D194-R197 IonicContact OD1-CZ 2.73Å; D194-R197 IonicContact OD1-NH2 3.18Å; D194-R197 PolarHBondContact OD1-NH2 3.47Å; D194-I198 WeakPolarHBondContact O-CB 3.35Å; D194-I198 WeakPolarHBondContact O-CG1 3.45Å; D194-I198 PolarHBondContact O-N 3.01Å
195M92.4Very high91.3Very high0 Ų056.4 Ų56.40%030%0.296CS..Hα-helixtrans-64.7-43.9177.7-74.1-150.8-90.500112F127 I130 F131 V147 V189 A192 R197 I198 M199 I226F127-M195 HydrophobicContact CB-CB 4.37Å; F127-M195 HydrophobicContact CB-CE 3.9Å; F127-M195 HydrophobicContact CD1-CB 4.01Å; F127-M195 HydrophobicContact CD1-CE 3.72Å; F127-M195 HydrophobicContact CD1-CG 4.43Å; F127-M195 HydrophobicContact CD1-SD 3.57Å; F127-M195 VanDerWaalsContact CD1-SD 3.57Å; F127-M195 HydrophobicContact CD2-CB 3.61Å; F127-M195 HydrophobicContact CE1-CB 4.14Å; F127-M195 HydrophobicContact CE1-SD 3.84Å; F127-M195 HydrophobicContact CE2-CB 3.75Å; F127-M195 HydrophobicContact CG-CB 3.74Å; F127-M195 HydrophobicContact CG-CE 4.01Å; F127-M195 HydrophobicContact CG-SD 4.13Å; F127-M195 HydrophobicContact CZ-CB 4Å; I130-M195 HydrophobicContact CG2-CE 4.44Å; F131-M195 HydrophobicContact CD2-CE 3.71Å; F131-M195 HydrophobicContact CE2-CE 3.4Å; F131-M195 VanDerWaalsContact CE2-CE 3.4Å; F131-M195 HydrophobicContact CE2-CG 4.25Å; F131-M195 HydrophobicContact CZ-CE 4.46Å; V147-M195 HydrophobicContact CG1-CG 4.07Å; V147-M195 HydrophobicContact CG1-SD 3.66Å; V189-M195 HydrophobicContact CB-CG 4.09Å; V189-M195 HydrophobicContact CG1-CG 4.12Å; V189-M195 HydrophobicContact CG2-CG 3.74Å; V189-M195 HydrophobicContact CG2-SD 4.28Å; A192-M195 PolarHBondContact O-N 2.9Å; M195-R197 VanDerWaalsContact C-N 3.34Å; M195-R197 PolarHBondContact O-N 3.28Å; M195-I198 PolarHBondContact O-N 3.45Å; M195-M199 VanDerWaalsContact O-CB 3.26Å; M195-M199 WeakPolarHBondContact O-CB 3.37Å; M195-M199 PolarHBondContact O-N 2.92Å; M195-I226 HydrophobicContact CE-CD1 4.41Å; M195-I226 HydrophobicContact SD-CD1 3.96Å; M195-I226 HydrophobicContact SD-CG1 4.39Å; M195-I226 HydrophobicContact SD-CG2 4.44Å
196D91.1Very high90.8Very high26 Ų2655.8 Ų55.814%0.13929%0.289CS..Hα-helixtrans-65.7-36.1177.7-119.7-30.3000111.9R114 A192 T200R114-D196 IonicContact NH1-OD1 2.73Å; R114-D196 PolarHBondContact NH1-OD1 3.2Å; A192-D196 PolarHBondContact O-N 3.25Å; D196-T200 VanDerWaalsContact O-CB 3.32Å; D196-T200 WeakPolarHBondContact O-CB 3.3Å; D196-T200 PolarHBondContact O-N 2.7Å; D196-T200 PolarHBondContact O-OG1 3Å
197R92.1Very high89.6Confident157 Ų15756.1 Ų56.159%0.59229%0.288SS*.Hα-helixtrans-64.7-45.7172.5-78-178.9-71.2-1662.1112.6D193 D194 M195 T200 L201D193-R197 VanDerWaalsContact O-CB 3.25Å; D193-R197 WeakPolarHBondContact O-CB 3.4Å; D193-R197 WeakPolarHBondContact O-CG 3.41Å; D193-R197 PolarHBondContact O-N 3.29Å; D193-R197 PolarHBondContact O-NE 3.17Å; D193-R197 VanDerWaalsContact O-NE 3.07Å; D194-R197 PolarHBondContact O-N 3.03Å; D194-R197 IonicContact OD1-CZ 2.73Å; D194-R197 IonicContact OD1-NH2 3.18Å; D194-R197 PolarHBondContact OD1-NH2 3.47Å; M195-R197 VanDerWaalsContact C-N 3.34Å; M195-R197 PolarHBondContact O-N 3.28Å; R197-T200 WeakPolarHBondContact O-CB 3.32Å; R197-T200 PolarHBondContact O-N 3.23Å; R197-L201 PolarHBondContact O-N 2.93Å
198I93.4Very high88Confident23 Ų2356.3 Ų56.312%0.11830%0.298CS..Hα-helixtrans-65.8-43.2177.8-72.9170.8000111.2V147 L161 Y187 V189 D194 M195 T200 L201 G202V147-I198 HydrophobicContact CG2-CB 4.5Å; V147-I198 HydrophobicContact CG2-CD1 3.74Å; V147-I198 HydrophobicContact CG2-CG2 3.9Å; L161-I198 HydrophobicContact CD1-CG2 3.48Å; L161-I198 VanDerWaalsContact CD1-CG2 3.48Å; L161-I198 HydrophobicContact CD2-CG2 3.61Å; L161-I198 WeakPolarHBondContact CD2-O 3.45Å; L161-I198 HydrophobicContact CG-CG2 4.19Å; Y187-I198 HydrophobicContact CG-CD1 4.4Å; V189-I198 HydrophobicContact CG1-CD1 3.42Å; V189-I198 VanDerWaalsContact CG1-CD1 3.42Å; D194-I198 WeakPolarHBondContact O-CB 3.35Å; D194-I198 WeakPolarHBondContact O-CG1 3.45Å; D194-I198 PolarHBondContact O-N 3.01Å; M195-I198 PolarHBondContact O-N 3.45Å; I198-T200 VanDerWaalsContact C-N 3.28Å; I198-T200 PolarHBondContact O-N 3.43Å; I198-L201 WeakPolarHBondContact O-CB 3.42Å; I198-L201 PolarHBondContact O-N 3.03Å; I198-G202 PolarHBondContact O-N 3.43Å
199M91.2Very high86Confident3 Ų354.9 Ų54.92%0.01530%0.3CS..Hα-helixtrans-60.4-40.2174.2-169.974.9-176.900110.9R114 I123 F127 Y149 M195 G202 H203 F224R114-M199 VanDerWaalsContact NH1-CG 3.32Å; R114-M199 VanDerWaalsContact NH2-CG 3.34Å; I123-M199 HydrophobicContact CD1-CE 3.67Å; I123-M199 HydrophobicContact CG2-CE 4.1Å; I123-M199 HydrophobicContact CG2-SD 4.21Å; F127-M199 HydrophobicContact CE2-CB 4.17Å; F127-M199 HydrophobicContact CZ-CB 4.23Å; F127-M199 HydrophobicContact CZ-CG 4.41Å; F127-M199 HydrophobicContact CZ-SD 4.5Å; Y149-M199 HydrophobicContact CD1-SD 4.21Å; Y149-M199 HydrophobicContact CE1-CE 4.12Å; Y149-M199 HydrophobicContact CE1-SD 3.9Å; Y149-M199 HydrophobicContact CE2-CE 4.27Å; M195-M199 VanDerWaalsContact O-CB 3.26Å; M195-M199 WeakPolarHBondContact O-CB 3.37Å; M195-M199 PolarHBondContact O-N 2.92Å; M199-G202 PolarHBondContact O-N 2.9Å; M199-H203 WeakPolarHBondContact CE-NE2 3.46Å; M199-H203 PolarHBondContact O-CD2 3.25Å; M199-H203 VanDerWaalsContact O-CD2 3.25Å; M199-H203 PolarHBondContact O-N 2.86Å; M199-F224 HydrophobicContact CB-CE2 4.19Å; M199-F224 HydrophobicContact CE-CD2 4.39Å; M199-F224 HydrophobicContact SD-CB 4.26Å; M199-F224 HydrophobicContact SD-CD2 3.16Å; M199-F224 WeakPolarHBondContact SD-CD2 3.37Å; M199-F224 HydrophobicContact SD-CE2 3.48Å; M199-F224 WeakPolarHBondContact SD-CE2 3.32Å; M199-F224 HydrophobicContact SD-CG 3.77Å; M199-F224 HydrophobicContact SD-CZ 4.29Å
200T90.4Very high84Confident76 Ų7656 Ų5647%0.46631%0.309SS..Hα-helixtrans-65.5-39.5175.6-58.70000112.4D196 R197 I198 H203 K204D196-T200 VanDerWaalsContact O-CB 3.32Å; D196-T200 WeakPolarHBondContact O-CB 3.3Å; D196-T200 PolarHBondContact O-N 2.7Å; D196-T200 PolarHBondContact O-OG1 3Å; R197-T200 WeakPolarHBondContact O-CB 3.32Å; R197-T200 PolarHBondContact O-N 3.23Å; I198-T200 VanDerWaalsContact C-N 3.28Å; I198-T200 PolarHBondContact O-N 3.43Å; T200-H203 PolarHBondContact O-N 3.25Å; T200-K204 PolarHBondContact O-N 2.66Å
201L91.3Very high81.8Confident76 Ų7655.8 Ų55.840%0.39831%0.313SS..Hα-helixtrans-59.6-49173.7174.361.7000111.3R197 I198 H203 K204 N205R197-L201 PolarHBondContact O-N 2.93Å; I198-L201 WeakPolarHBondContact O-CB 3.42Å; I198-L201 PolarHBondContact O-N 3.03Å; L201-H203 PolarHBondContact O-N 2.97Å; L201-K204 WeakPolarHBondContact O-CB 3.35Å; L201-K204 PolarHBondContact O-N 3.12Å; L201-K204 VanDerWaalsContact O-N 3.17Å; L201-N205 PolarHBondContact O-N 2.86Å
202G89.8Confident79.4Confident0 Ų060.4 Ų60.40%034%0.337CS..Hα-helixtrans-63.7-38.4178.500000113.5L160 I198 M199 K204 N205 R206L160-G202 WeakPolarHBondContact O-CA 3.49Å; I198-G202 PolarHBondContact O-N 3.43Å; M199-G202 PolarHBondContact O-N 2.9Å; G202-K204 VanDerWaalsContact C-N 3.34Å; G202-K204 PolarHBondContact O-N 3.04Å; G202-N205 PolarHBondContact O-N 3.24Å; G202-R206 WeakPolarHBondContact O-CB 3.29Å; G202-R206 PolarHBondContact O-N 3.11Å
203H85.1Confident76.8Confident36 Ų3665.8 Ų65.817%0.16736%0.359CS..Hα-helixtrans-62.7-38.3172.5-90.3-105.9000112.9E111 R114 Y149 M199 T200 L201 S207E111-H203 IonicContact OE1-CE1 3.85Å; E111-H203 PolarHBondContact OE1-CE1 3.23Å; E111-H203 IonicContact OE1-ND1 3.16Å; E111-H203 IonicContact OE1-NE2 3.77Å; E111-H203 IonicContact OE2-CE1 2.93Å; E111-H203 PolarHBondContact OE2-CE1 3.5Å; E111-H203 IonicContact OE2-ND1 3.89Å; E111-H203 IonicContact OE2-NE2 3.84Å; R114-H203 PolarHBondContact NH2-CD2 3.18Å; R114-H203 PolarHBondContact NH2-NE2 2.66Å; Y149-H203 AromaticContact CE1-CD2 3.87Å; Y149-H203 PolarHBondContact OH-CD2 3.16Å; Y149-H203 PolarHBondContact OH-NE2 2.83Å; M199-H203 WeakPolarHBondContact CE-NE2 3.46Å; M199-H203 PolarHBondContact O-CD2 3.25Å; M199-H203 VanDerWaalsContact O-CD2 3.25Å; M199-H203 PolarHBondContact O-N 2.86Å; T200-H203 PolarHBondContact O-N 3.25Å; L201-H203 PolarHBondContact O-N 2.97Å; H203-S207 VanDerWaalsContact O-CB 3.27Å; H203-S207 WeakPolarHBondContact O-CB 3.32Å; H203-S207 PolarHBondContact O-N 2.81Å; H203-S207 PolarHBondContact O-OG 3.02Å
204K85.9Confident74.7Confident142 Ų14263.5 Ų63.562%0.61735%0.347SS*.Hα-helixtrans-62.6-45.7174.6-174.3-175.9178.5-174.90110.7T200 L201 G202 S207 V208T200-K204 PolarHBondContact O-N 2.66Å; L201-K204 WeakPolarHBondContact O-CB 3.35Å; L201-K204 PolarHBondContact O-N 3.12Å; L201-K204 VanDerWaalsContact O-N 3.17Å; G202-K204 VanDerWaalsContact C-N 3.34Å; G202-K204 PolarHBondContact O-N 3.04Å; K204-S207 PolarHBondContact O-N 3.27Å; K204-V208 WeakPolarHBondContact O-CG2 3.44Å; K204-V208 PolarHBondContact O-N 3.41Å
205N86.1Confident72.9Confident36 Ų3668.8 Ų68.819%0.19337%0.371CS..Hα-helixtrans-65.2-44.8179-69.4-11000111.9L160 Q165 L201 G202 S207 V208 G209L160-N205 PolarHBondContact O-ND2 2.91Å; Q165-N205 HydrophobicContact CG-CB 4.09Å; Q165-N205 PolarHBondContact NE2-ND2 2.81Å; L201-N205 PolarHBondContact O-N 2.86Å; G202-N205 PolarHBondContact O-N 3.24Å; N205-S207 PolarHBondContact O-N 2.93Å; N205-V208 PolarHBondContact O-N 2.9Å; N205-G209 PolarHBondContact O-N 2.97Å
206R82.8Confident71.2Confident14 Ų1469.7 Ų69.75%0.05338%0.375CS..Hα-helixtrans-54.8-40.5171.6-159.1-179-178.1-163.2-0.7112.1E151 L160 G202 S217 S220E151-R206 WeakPolarHBondContact OE1-CD 3.49Å; E151-R206 WeakPolarHBondContact OE1-CG 3.44Å; E151-R206 IonicContact OE1-CZ 3.35Å; E151-R206 IonicContact OE1-NE 3.19Å; E151-R206 PolarHBondContact OE1-NE 3.06Å; E151-R206 IonicContact OE1-NH2 3.61Å; L160-R206 HydrophobicContact CD1-CB 4.38Å; L160-R206 HydrophobicContact CD2-CB 3.97Å; L160-R206 HydrophobicContact CD2-CG 4.36Å; G202-R206 WeakPolarHBondContact O-CB 3.29Å; G202-R206 PolarHBondContact O-N 3.11Å; R206-S217 PolarHBondContact NH2-O 2.85Å; R206-S220 PolarHBondContact NH2-O 3.05Å; R206-S220 PolarHBondContact NH2-OG 2.67Å
207S66.2Low70Confident71 Ų7170.9 Ų70.950%0.49739%0.386SS..Hα-helixtrans-74.6-33.7-179.8-580000113.3H203 K204 N205 G209 A210H203-S207 VanDerWaalsContact O-CB 3.27Å; H203-S207 WeakPolarHBondContact O-CB 3.32Å; H203-S207 PolarHBondContact O-N 2.81Å; H203-S207 PolarHBondContact O-OG 3.02Å; K204-S207 PolarHBondContact O-N 3.27Å; N205-S207 PolarHBondContact O-N 2.93Å; S207-G209 VanDerWaalsContact C-N 3.29Å; S207-G209 PolarHBondContact O-N 3.37Å; S207-A210 WeakPolarHBondContact O-CB 3.16Å; S207-A210 PolarHBondContact O-N 2.8Å; S207-A210 VanDerWaalsContact O-N 3.09Å
208V59.4Low68.9Low93 Ų9364.3 Ų64.356%0.56436%0.363SS*.Hα-helixtrans-65.6-32.9174.6168.20000111.3K204 N205 A210 T211K204-V208 WeakPolarHBondContact O-CG2 3.44Å; K204-V208 PolarHBondContact O-N 3.41Å; N205-V208 PolarHBondContact O-N 2.9Å; V208-A210 VanDerWaalsContact C-N 3.25Å; V208-A210 PolarHBondContact O-N 2.84Å; V208-T211 PolarHBondContact O-OG1 3.06Å
209G53.2Low68.1Low51 Ų5164.7 Ų64.753%0.52636%0.363SS..Hα-helixtrans-63.2-28.7170.500000114N205 S207N205-G209 PolarHBondContact O-N 2.97Å; S207-G209 VanDerWaalsContact C-N 3.29Å; S207-G209 PolarHBondContact O-N 3.37Å
210A52.6Low67.8Low26 Ų2664.6 Ų64.622%0.21536%0.363CS..Hα-helixtrans-76.9-26.3-175.500000114.2S207 V208 N212 M213 H216S207-A210 WeakPolarHBondContact O-CB 3.16Å; S207-A210 PolarHBondContact O-N 2.8Å; S207-A210 VanDerWaalsContact O-N 3.09Å; V208-A210 VanDerWaalsContact C-N 3.25Å; V208-A210 PolarHBondContact O-N 2.84Å; A210-N212 PolarHBondContact O-N 3.03Å; A210-M213 PolarHBondContact O-N 2.85Å; A210-H216 HydrophobicContact CB-CB 3.63Å
211T44.2Very low67.8Low122 Ų12261.2 Ų61.275%0.74834%0.342SS*.THydrogen-bonded Turntrans-65.6-8.9-164.656.70000115.4V208V208-T211 PolarHBondContact O-OG1 3.06Å
212N42.3Very low67.9Low152 Ų15257.7 Ų57.781%0.81332%0.324SS*.THydrogen-bonded Turntrans-98.8-18.9-174.1-134.911.4000115.1A210A210-N212 PolarHBondContact O-N 3.03Å
213M39.6Very low68.2Low140 Ų14057.9 Ų57.969%0.6933%0.325SS*.THydrogen-bonded Turntrans-164.5-6.8172.2-127.3-172.5-176.600121.4A210 R266A210-M213 PolarHBondContact O-N 2.85Å; M213-R266 PolarHBondContact O-NH2 2.94Å
214N46.3Very low68.7Low62 Ų6256.2 Ų56.233%0.33232%0.317SS..SBendtrans-165.6165178.7-115.53.7000115.2H216 R219 R266N214-H216 PolarHBondContact O-N 3.18Å; N214-H216 VanDerWaalsContact O-N 3.13Å; N214-R219 PolarHBondContact ND2-NH1 3.48Å; N214-R266 PolarHBondContact ND2-NE 2.69Å; N214-R266 VanDerWaalsContact OD1-CZ 3.32Å; N214-R266 PolarHBondContact OD1-NH2 2.73Å
215E55.7Low69.2Low139 Ų13949.9 Ų49.965%0.6529%0.29SS*.  trans-61.5104.3165.2-173.6175.6-164.900109.7S218E215-S218 PolarHBondContact O-OG 2.94Å
216H57.3Low69.7Low18 Ų1848.1 Ų48.18%0.08328%0.281CS..  trans-87.7-27.5-165.5-159.5-99.6000114.5E151 Y153 A210 N214 S218 R219 S220E151-H216 IonicContact OE1-CE1 3.89Å; E151-H216 PolarHBondContact OE1-CE1 3.34Å; E151-H216 IonicContact OE1-ND1 3Å; E151-H216 PolarHBondContact OE1-ND1 2.83Å; E151-H216 IonicContact OE2-CE1 3.88Å; E151-H216 PolarHBondContact OE2-CE1 3.45Å; E151-H216 VanDerWaalsContact OE2-CE1 3.25Å; E151-H216 IonicContact OE2-ND1 2.67Å; Y153-H216 AromaticContact CD1-NE2 3.96Å; Y153-H216 AromaticContact CD2-CE1 3.77Å; Y153-H216 AromaticContact CD2-NE2 3.51Å; Y153-H216 AromaticContact CE1-NE2 3.93Å; Y153-H216 AromaticContact CE2-NE2 3.48Å; Y153-H216 WeakPolarHBondContact CE2-NE2 3.32Å; Y153-H216 AromaticContact CG-CE1 3.87Å; Y153-H216 AromaticContact CG-NE2 3.74Å; Y153-H216 AromaticContact CZ-NE2 3.67Å; A210-H216 HydrophobicContact CB-CB 3.63Å; N214-H216 PolarHBondContact O-N 3.18Å; N214-H216 VanDerWaalsContact O-N 3.13Å; H216-S218 VanDerWaalsContact C-N 3.31Å; H216-S218 PolarHBondContact O-N 3.11Å; H216-R219 PolarHBondContact O-N 2.97Å; H216-S220 PolarHBondContact ND1-OG 3.17Å; H216-S220 PolarHBondContact O-N 3.05Å; H216-S220 PolarHBondContact O-OG 3.47Å
217S64.1Low70.3Confident52 Ų5248.6 Ų48.636%0.36429%0.285SS..G310 helixtrans-65.8-31.1-172.949.30000113.6R206 R219R206-S217 PolarHBondContact NH2-O 2.85Å; S217-R219 PolarHBondContact O-N 3.23Å
218S69.6Low71.7Confident18 Ų1845.3 Ų45.313%0.12626%0.262CS..G310 helixtrans-74.1-12.1172.447.20000113.8T102 E215 H216 A252 G253T102-S218 WeakPolarHBondContact OG1-CB 3.42Å; E215-S218 PolarHBondContact O-OG 2.94Å; H216-S218 VanDerWaalsContact C-N 3.31Å; H216-S218 PolarHBondContact O-N 3.11Å; S218-A252 WeakPolarHBondContact O-CB 3.44Å; S218-G253 PolarHBondContact O-N 2.79Å
219R76.2Confident73.3Confident31 Ų3142.8 Ų42.812%0.11724%0.244CC..G310 helixtrans-118.49.7-165.6-55.8-161.885.5-161.52.1113.6Y153 N214 H216 S217 R266 E269 I273Y153-R219 WeakPolarHBondContact CD2-O 3.48Å; N214-R219 PolarHBondContact ND2-NH1 3.48Å; H216-R219 PolarHBondContact O-N 2.97Å; S217-R219 PolarHBondContact O-N 3.23Å; R219-R266 PolarHBondContact NH2-O 2.78Å; R219-E269 IonicContact CZ-OE1 2.69Å; R219-E269 IonicContact CZ-OE2 2.66Å; R219-E269 IonicContact NE-OE1 2.65Å; R219-E269 PolarHBondContact NE-OE1 2.81Å; R219-E269 IonicContact NH1-OE1 2.63Å; R219-E269 PolarHBondContact NH1-OE1 3.01Å; R219-E269 IonicContact NH1-OE2 2.74Å; R219-E269 PolarHBondContact NH1-OE2 2.8Å; R219-E269 IonicContact NH2-OE1 3.47Å; R219-E269 IonicContact NH2-OE2 3.17Å; R219-I273 HydrophobicContact CB-CD1 3.61Å; R219-I273 HydrophobicContact CG-CD1 4.23Å; R219-I273 WeakPolarHBondContact O-CD1 3.38Å; R219-I273 WeakPolarHBondContact O-CG1 3.48Å
220S85.6Confident75.1Confident1 Ų140.6 Ų40.61%0.00722%0.221CC..SBendtrans-150.7146.8-173.149.90000109.9E151 I152 R206 H216E151-S220 VanDerWaalsContact OE1-CB 3.25Å; E151-S220 WeakPolarHBondContact OE1-CB 3.46Å; E151-S220 PolarHBondContact OE1-OG 3.27Å; I152-S220 WeakPolarHBondContact O-CA 3.46Å; R206-S220 PolarHBondContact NH2-O 3.05Å; R206-S220 PolarHBondContact NH2-OG 2.67Å; H216-S220 PolarHBondContact ND1-OG 3.17Å; H216-S220 PolarHBondContact O-N 3.05Å; H216-S220 PolarHBondContact O-OG 3.47Å
221H91.1Very high76.8Confident5 Ų540.8 Ų40.82%0.02322%0.221CC..EExtended strand (participates in β ladder)trans-94.8132.1173.6-47.1-74.2000109.1E151 I152 D250 L251 A252 S276 L302E151-H221 CarbonylContact C-O 3.58Å; E151-H221 WeakPolarHBondContact CA-O 3.47Å; I152-H221 HydrophobicContact CB-CB 4.28Å; I152-H221 PolarHBondContact N-O 3.43Å; I152-H221 PolarHBondContact O-N 2.96Å; H221-D250 WeakPolarHBondContact CA-O 3.4Å; H221-L251 HydrophobicContact CB-CD2 4.23Å; H221-L251 WeakPolarHBondContact ND1-CA 3.42Å; H221-L251 WeakPolarHBondContact ND1-CD2 3.44Å; H221-A252 VanDerWaalsContact CE1-CB 3.47Å; H221-A252 WeakPolarHBondContact CE1-CB 3.37Å; H221-A252 PolarHBondContact CE1-N 2.97Å; H221-A252 PolarHBondContact ND1-N 2.82Å; H221-S276 PolarHBondContact NE2-OG 3.25Å; H221-L302 HydrophobicContact CB-CD1 4.29Å
222A92.8Very high78.8Confident2 Ų238.4 Ų38.42%0.01720%0.201CC..EExtended strand (participates in β ladder)trans-111.7128.6174.900000110Y149 L150 V249 D250Y149-A222 HydrophobicContact CE2-CB 3.89Å; L150-A222 WeakPolarHBondContact O-CA 3.42Å; A222-V249 WeakPolarHBondContact O-CA 3.47Å; A222-D250 PolarHBondContact N-O 3.04Å; A222-D250 PolarHBondContact O-N 2.92Å
223I95.6Very high80.7Confident4 Ų436.6 Ų36.62%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-120.7104.5179.8-55-177.8000108.4Y149 L150 I152 H247 V249 L302Y149-I223 WeakPolarHBondContact CD2-O 3.5Å; L150-I223 HydrophobicContact CD1-CB 4.06Å; L150-I223 HydrophobicContact CD1-CD1 4.31Å; L150-I223 HydrophobicContact CD1-CG1 4.29Å; L150-I223 HydrophobicContact CD2-CB 4.23Å; L150-I223 HydrophobicContact CG-CB 3.95Å; L150-I223 PolarHBondContact N-O 2.89Å; L150-I223 VanDerWaalsContact N-O 3.16Å; L150-I223 PolarHBondContact O-N 3.14Å; I152-I223 HydrophobicContact CD1-CD1 4Å; I223-H247 HydrophobicContact CG2-CB 4.45Å; I223-V249 HydrophobicContact CG1-CG1 4.06Å; I223-V249 HydrophobicContact CG1-CG2 4.1Å; I223-V249 HydrophobicContact CG2-CG2 4.18Å; I223-L302 HydrophobicContact CD1-CD1 4.35Å
224F96.3Very high82.3Confident1 Ų130.6 Ų30.60%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-87.9125.1168-166.9-92.8000108.3F127 V147 Y149 M199 I226 L248F127-F224 HydrophobicContact CE1-CD1 4.13Å; F127-F224 AromaticContact CE1-CE1 3.48Å; F127-F224 HydrophobicContact CE1-CE1 3.48Å; F127-F224 VanDerWaalsContact CE1-CE1 3.48Å; F127-F224 HydrophobicContact CE1-CZ 4.03Å; F127-F224 HydrophobicContact CZ-CD1 4.36Å; F127-F224 AromaticContact CZ-CE1 3.69Å; F127-F224 HydrophobicContact CZ-CE1 3.69Å; F127-F224 AromaticContact CZ-CZ 3.79Å; F127-F224 HydrophobicContact CZ-CZ 3.79Å; V147-F224 HydrophobicContact CB-CE1 4.29Å; V147-F224 HydrophobicContact CB-CZ 3.91Å; V147-F224 HydrophobicContact CG1-CE1 3.96Å; V147-F224 HydrophobicContact CG1-CZ 3.92Å; V147-F224 HydrophobicContact CG2-CZ 4.45Å; Y149-F224 AromaticContact CD1-CD2 3.97Å; Y149-F224 HydrophobicContact CD1-CD2 3.97Å; Y149-F224 HydrophobicContact CD1-CE2 4.48Å; Y149-F224 HydrophobicContact CD2-CB 3.78Å; Y149-F224 AromaticContact CD2-CD2 3.73Å; Y149-F224 HydrophobicContact CD2-CD2 3.73Å; Y149-F224 HydrophobicContact CD2-CG 4.25Å; Y149-F224 HydrophobicContact CE2-CB 4.04Å; Y149-F224 HydrophobicContact CE2-CD2 4.32Å; Y149-F224 HydrophobicContact CG-CB 4.47Å; Y149-F224 AromaticContact CG-CD2 3.54Å; Y149-F224 HydrophobicContact CG-CD2 3.54Å; Y149-F224 HydrophobicContact CG-CE2 4.29Å; Y149-F224 HydrophobicContact CG-CG 4.47Å; M199-F224 HydrophobicContact CB-CE2 4.19Å; M199-F224 HydrophobicContact CE-CD2 4.39Å; M199-F224 HydrophobicContact SD-CB 4.26Å; M199-F224 HydrophobicContact SD-CD2 3.16Å; M199-F224 WeakPolarHBondContact SD-CD2 3.37Å; M199-F224 HydrophobicContact SD-CE2 3.48Å; M199-F224 WeakPolarHBondContact SD-CE2 3.32Å; M199-F224 HydrophobicContact SD-CG 3.77Å; M199-F224 HydrophobicContact SD-CZ 4.29Å; F224-I226 HydrophobicContact CD1-CD1 4.43Å; F224-I226 HydrophobicContact CD1-CG1 3.9Å; F224-I226 HydrophobicContact CE1-CD1 4.12Å; F224-I226 HydrophobicContact CE1-CG1 3.68Å; F224-L248 HydrophobicContact CB-CB 4.4Å; F224-L248 PolarHBondContact N-O 3.17Å; F224-L248 PolarHBondContact O-N 3.31Å
225T96.5Very high83.5Confident9 Ų935.3 Ų35.36%0.05518%0.184CC..EExtended strand (participates in β ladder)trans-117.4128.8-177.9-54.40000109.8V147 S148 K245 L246 H247V147-T225 VanDerWaalsContact CA-O 3.32Å; V147-T225 WeakPolarHBondContact CA-O 3.41Å; S148-T225 PolarHBondContact N-O 3.41Å; S148-T225 PolarHBondContact O-N 2.89Å; T225-K245 HydrophobicContact CG2-CD 4.31Å; T225-K245 HydrophobicContact CG2-CG 3.87Å; T225-L246 CarbonylContact C-O 3.59Å; T225-L246 WeakPolarHBondContact CA-O 3.27Å; T225-H247 VanDerWaalsContact CG2-CE1 3.49Å; T225-H247 WeakPolarHBondContact CG2-CE1 3.37Å; T225-H247 WeakPolarHBondContact CG2-ND1 3.11Å; T225-H247 PolarHBondContact OG1-CE1 3.26Å; T225-H247 PolarHBondContact OG1-ND1 3.2Å
226I97.1Very high84.2Confident0 Ų032.2 Ų32.20%017%0.172CC..EExtended strand (participates in β ladder)trans-111.8118.4171.6-45.8178.2000107.6F127 I130 V145 V147 M195 F224 I228 L246 L248F127-I226 HydrophobicContact CD1-CD1 4.08Å; F127-I226 HydrophobicContact CE1-CD1 4.01Å; I130-I226 HydrophobicContact CD1-CD1 3.66Å; I130-I226 HydrophobicContact CD1-CG2 4.41Å; V145-I226 HydrophobicContact CG1-CG2 3.63Å; V147-I226 HydrophobicContact CG1-CG1 4.24Å; V147-I226 HydrophobicContact CG1-CG2 4.23Å; M195-I226 HydrophobicContact CE-CD1 4.41Å; M195-I226 HydrophobicContact SD-CD1 3.96Å; M195-I226 HydrophobicContact SD-CG1 4.39Å; M195-I226 HydrophobicContact SD-CG2 4.44Å; F224-I226 HydrophobicContact CD1-CD1 4.43Å; F224-I226 HydrophobicContact CD1-CG1 3.9Å; F224-I226 HydrophobicContact CE1-CD1 4.12Å; F224-I226 HydrophobicContact CE1-CG1 3.68Å; I226-I228 HydrophobicContact CG2-CD1 4.47Å; I226-I228 HydrophobicContact CG2-CG1 3.97Å; I226-L246 HydrophobicContact CB-CB 4.37Å; I226-L246 HydrophobicContact CD1-CD2 4.34Å; I226-L246 PolarHBondContact N-O 3.18Å; I226-L246 PolarHBondContact O-N 3.04Å; I226-L248 HydrophobicContact CD1-CD1 4.3Å
227T95.2Very high84.9Confident23 Ų2333.3 Ų33.314%0.14119%0.187CC..EExtended strand (participates in β ladder)trans-100.7124.5168.9-56.10000108.1V145 R146 M243 G244V145-T227 WeakPolarHBondContact CA-O 3.34Å; R146-T227 PolarHBondContact N-O 3.26Å; R146-T227 PolarHBondContact O-N 3.21Å; T227-M243 HydrophobicContact CG2-CG 3.83Å; T227-M243 HydrophobicContact CG2-SD 3.91Å; T227-G244 WeakPolarHBondContact CA-O 3.44Å
228I95.3Very high85.6Confident3 Ų335.6 Ų35.62%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-115.1111.6178-53.7-178.5000107.3V88 L89 I130 F143 I226 M243 G244V88-I228 HydrophobicContact CG1-CD1 4.14Å; L89-I228 HydrophobicContact CD2-CD1 3.82Å; L89-I228 HydrophobicContact CG-CD1 4.46Å; I130-I228 HydrophobicContact CD1-CD1 4.09Å; I130-I228 HydrophobicContact CG1-CD1 4.05Å; I130-I228 HydrophobicContact CG2-CD1 3.76Å; F143-I228 HydrophobicContact CD1-CG2 3.97Å; I226-I228 HydrophobicContact CG2-CD1 4.47Å; I226-I228 HydrophobicContact CG2-CG1 3.97Å; I228-M243 CarbonylContact O-C 3.55Å; I228-M243 WeakPolarHBondContact O-CA 3.11Å; I228-G244 PolarHBondContact N-O 3.49Å; I228-G244 PolarHBondContact O-N 2.88Å
229E92.6Very high86Confident40 Ų4038.7 Ų38.719%0.18721%0.209CC..EExtended strand (participates in β ladder)trans-91.2129165.5-79.1148.5-124.400108.8F143 L144 R146 R242 M243F143-E229 CarbonylContact C-O 3.56Å; F143-E229 VanDerWaalsContact CA-O 3.3Å; F143-E229 WeakPolarHBondContact CA-O 3.39Å; L144-E229 HydrophobicContact CB-CB 4.24Å; L144-E229 PolarHBondContact N-O 3.31Å; L144-E229 PolarHBondContact O-N 2.89Å; R146-E229 IonicContact CZ-OE1 2.76Å; R146-E229 IonicContact NE-OE1 3.06Å; R146-E229 PolarHBondContact NE-OE1 2.9Å; R146-E229 IonicContact NH2-OE1 3.89Å; R146-E229 PolarHBondContact NH2-OE1 3.32Å; E229-R242 WeakPolarHBondContact CA-O 3.48Å; E229-M243 HydrophobicContact CG-CB 4.4Å; E229-M243 HydrophobicContact CG-CE 3.84Å; E229-M243 HydrophobicContact CG-CG 4.07Å
230C91.1Very high86.3Confident5 Ų538.3 Ų38.33%0.03421%0.209CC..EExtended strand (participates in β ladder)trans-116.7127.9173.5-177.80000108.6F143 V241 R242F143-C230 HydrophobicContact CD1-CB 3.99Å; F143-C230 HydrophobicContact CE1-CB 3.8Å; F143-C230 VanDerWaalsContact CE1-SG 3.55Å; C230-V241 WeakPolarHBondContact O-CA 3.4Å; C230-R242 PolarHBondContact N-O 3.12Å; C230-R242 PolarHBondContact O-N 3.08Å
231S88.8Confident86.4Confident30 Ų3041.6 Ų41.621%0.2123%0.228CC..EExtended strand (participates in β ladder)trans-119114.1179.5-173.40000107.7R142 M239 H240R142-S231 PolarHBondContact N-O 2.69Å; R142-S231 PolarHBondContact O-N 3.45Å; S231-M239 WeakPolarHBondContact OG-CG 3.46Å; S231-M239 PolarHBondContact OG-SD 2.89Å; S231-H240 WeakPolarHBondContact CA-O 3.34Å
232E86.8Confident86.4Confident71 Ų7143 Ų4333%0.33223%0.234SC..EExtended strand (participates in β ladder)trans-129.9141.4-172-176.3179.2-163.200110.3T141 G234 H240 R242T141-E232 HydrophobicContact CG2-CB 4.4Å; E232-G234 PolarHBondContact O-N 3.27Å; E232-H240 PolarHBondContact N-O 2.88Å; E232-H240 PolarHBondContact O-N 3.23Å; E232-R242 IonicContact OE2-CZ 2.83Å; E232-R242 IonicContact OE2-NH1 3.56Å; E232-R242 PolarHBondContact OE2-NH1 3.5Å; E232-R242 IonicContact OE2-NH2 3.53Å; E232-R242 PolarHBondContact OE2-NH2 3.1Å
233K81.8Confident86.3Confident114 Ų11446.4 Ų46.450%0.49625%0.25SC..EExtended strand (participates in β ladder)trans-81.2118.9179-166.7179.4-178.6179.70110.6D140 G237 N238 M239D140-K233 HydrophobicContact CB-CB 4.48Å; K233-G237 VanDerWaalsContact CE-O 3.23Å; K233-G237 WeakPolarHBondContact CE-O 3.3Å; K233-N238 CarbonylContact C-O 3.5Å; K233-N238 VanDerWaalsContact CA-O 3.31Å; K233-N238 WeakPolarHBondContact CA-O 3.46Å; K233-N238 WeakPolarHBondContact CG-O 3.31Å; K233-M239 HydrophobicContact CB-CE 4.16Å
234G73.3Confident86.2Confident15 Ų1546.2 Ų46.216%0.15525%0.249CC..  trans-68.9165.3179.800000114.2E232 D236 G237 N238 H240E232-G234 PolarHBondContact O-N 3.27Å; G234-D236 PolarHBondContact O-N 3.48Å; G234-G237 WeakPolarHBondContact O-CA 3.37Å; G234-G237 PolarHBondContact O-N 3.22Å; G234-N238 PolarHBondContact N-O 2.82Å; G234-H240 VanDerWaalsContact CA-CD2 3.44Å; G234-H240 WeakPolarHBondContact CA-CD2 3.44Å; G234-H240 WeakPolarHBondContact CA-NE2 3.28Å
235I71.1Confident86.1Confident161 Ų16148.2 Ų48.283%0.82626%0.258SS*.THydrogen-bonded Turntrans-63.8-26.4173.8-56.5170.1000110.8G237I235-G237 PolarHBondContact O-N 3.43Å
236D70.3Confident86.2Confident74 Ų7447.8 Ų47.840%0.39626%0.255SS..THydrogen-bonded Turntrans-75.1-6.2172.168.9-12.2000113.8G234 N238 H240G234-D236 PolarHBondContact O-N 3.48Å; D236-N238 VanDerWaalsContact C-N 3.33Å; D236-N238 VanDerWaalsContact CG-ND2 3.34Å; D236-N238 WeakPolarHBondContact OD1-CB 3.28Å; D236-N238 PolarHBondContact OD1-N 3.2Å; D236-N238 PolarHBondContact OD2-ND2 2.81Å; D236-H240 IonicContact OD1-CE1 3.78Å; D236-H240 IonicContact OD1-NE2 2.73Å; D236-H240 IonicContact OD2-CE1 3.61Å
237G71.9Confident86.2Confident40 Ų4049.3 Ų49.341%0.41226%0.262SS..SBendtrans84.4-3.9-177.400000115.3K233 G234 I235K233-G237 VanDerWaalsContact CE-O 3.23Å; K233-G237 WeakPolarHBondContact CE-O 3.3Å; G234-G237 WeakPolarHBondContact O-CA 3.37Å; G234-G237 PolarHBondContact O-N 3.22Å; I235-G237 PolarHBondContact O-N 3.43Å
238N78.3Confident86.3Confident100 Ų10048.2 Ų48.254%0.53526%0.256SS..SBendtrans-78.5173.8176-68.6-52.3000111.4K233 G234 D236K233-N238 CarbonylContact C-O 3.5Å; K233-N238 VanDerWaalsContact CA-O 3.31Å; K233-N238 WeakPolarHBondContact CA-O 3.46Å; K233-N238 WeakPolarHBondContact CG-O 3.31Å; G234-N238 PolarHBondContact N-O 2.82Å; D236-N238 VanDerWaalsContact C-N 3.33Å; D236-N238 VanDerWaalsContact CG-ND2 3.34Å; D236-N238 WeakPolarHBondContact OD1-CB 3.28Å; D236-N238 PolarHBondContact OD1-N 3.2Å; D236-N238 PolarHBondContact OD2-ND2 2.81Å
239M77.8Confident86.3Confident84 Ų8448.1 Ų48.141%0.41426%0.255SS..EExtended strand (participates in β ladder)trans-107.6105.5176.5-172.364.260.500109.2S231 K233S231-M239 WeakPolarHBondContact OG-CG 3.46Å; S231-M239 PolarHBondContact OG-SD 2.89Å; K233-M239 HydrophobicContact CB-CE 4.16Å
240H83.8Confident86.4Confident22 Ų2246.7 Ų46.710%0.10225%0.249CC..EExtended strand (participates in β ladder)trans-85.1141.9176.8-57.2-50.9000110S231 E232 G234 D236 D357S231-H240 WeakPolarHBondContact CA-O 3.34Å; E232-H240 PolarHBondContact N-O 2.88Å; E232-H240 PolarHBondContact O-N 3.23Å; G234-H240 VanDerWaalsContact CA-CD2 3.44Å; G234-H240 WeakPolarHBondContact CA-CD2 3.44Å; G234-H240 WeakPolarHBondContact CA-NE2 3.28Å; D236-H240 IonicContact OD1-CE1 3.78Å; D236-H240 IonicContact OD1-NE2 2.73Å; D236-H240 IonicContact OD2-CE1 3.61Å; H240-D357 WeakPolarHBondContact CA-OD2 3.37Å; H240-D357 WeakPolarHBondContact CB-OD2 3.44Å; H240-D357 IonicContact CE1-OD1 3.49Å; H240-D357 PolarHBondContact CE1-OD1 2.86Å; H240-D357 IonicContact CG-OD2 3.7Å; H240-D357 IonicContact ND1-OD1 3.57Å; H240-D357 PolarHBondContact ND1-OD1 2.85Å; H240-D357 IonicContact ND1-OD2 3.65Å; H240-D357 PolarHBondContact ND1-OD2 2.85Å
241V86.7Confident86.5Confident70 Ų7046.5 Ų46.542%0.42425%0.247SC..EExtended strand (participates in β ladder)trans-122.3122.4179.8-1770000110.4C230 E353C230-V241 WeakPolarHBondContact O-CA 3.4Å; V241-E353 WeakPolarHBondContact O-CA 3.38Å
242R91Very high86.5Confident36 Ų3645 Ų4514%0.13624%0.237CC..EExtended strand (participates in β ladder)trans-113.2142.5176.2-54.5-166.6-67.7-83.83.3109.9E90 E229 C230 E232 I351 N352 E353E90-R242 WeakPolarHBondContact O-CD 3.48Å; E90-R242 PolarHBondContact O-NE 3.21Å; E90-R242 VanDerWaalsContact O-NE 3.08Å; E229-R242 WeakPolarHBondContact CA-O 3.48Å; C230-R242 PolarHBondContact N-O 3.12Å; C230-R242 PolarHBondContact O-N 3.08Å; E232-R242 IonicContact OE2-CZ 2.83Å; E232-R242 IonicContact OE2-NH1 3.56Å; E232-R242 PolarHBondContact OE2-NH1 3.5Å; E232-R242 IonicContact OE2-NH2 3.53Å; E232-R242 PolarHBondContact OE2-NH2 3.1Å; R242-I351 HydrophobicContact CG-CG2 4.42Å; R242-N352 CarbonylContact C-O 3.57Å; R242-N352 WeakPolarHBondContact CA-O 3.41Å; R242-E353 WeakPolarHBondContact CD-OE2 3.11Å; R242-E353 HydrophobicContact CG-CB 4.08Å
243M91Very high86.4Confident72 Ų7241.8 Ų41.836%0.35522%0.223SC..EExtended strand (participates in β ladder)trans-126.2107.1-179-173.1-175.9-60.100111.7T227 I228 E229 N352T227-M243 HydrophobicContact CG2-CG 3.83Å; T227-M243 HydrophobicContact CG2-SD 3.91Å; I228-M243 CarbonylContact O-C 3.55Å; I228-M243 WeakPolarHBondContact O-CA 3.11Å; E229-M243 HydrophobicContact CG-CB 4.4Å; E229-M243 HydrophobicContact CG-CE 3.84Å; E229-M243 HydrophobicContact CG-CG 4.07Å; M243-N352 PolarHBondContact N-O 2.98Å; M243-N352 WeakPolarHBondContact O-CB 3.21Å; M243-N352 PolarHBondContact O-ND2 3.14Å
244G93.9Very high86.6Confident1 Ų137.2 Ų37.21%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-86.2141.8168.400000111.8V88 Y92 T227 I228V88-G244 WeakPolarHBondContact O-CA 3.43Å; Y92-G244 WeakPolarHBondContact O-CA 3.47Å; T227-G244 WeakPolarHBondContact CA-O 3.44Å; I228-G244 PolarHBondContact N-O 3.49Å; I228-G244 PolarHBondContact O-N 2.88Å
245K94.7Very high86.8Confident43 Ų4338 Ų3819%0.18721%0.205CC..EExtended strand (participates in β ladder)trans-129.2114.9172.8-166.8-164.1-58.9167.80109.9Y92 N93 G94 T225 H247Y92-K245 PolarHBondContact O-N 2.9Å; N93-K245 CarbonylContact C-O 3.53Å; N93-K245 WeakPolarHBondContact CA-O 3.34Å; N93-K245 WeakPolarHBondContact OD1-CB 3.4Å; G94-K245 PolarHBondContact N-O 3.41Å; T225-K245 HydrophobicContact CG2-CD 4.31Å; T225-K245 HydrophobicContact CG2-CG 3.87Å; K245-H247 VanDerWaalsContact CD-NE2 3.28Å; K245-H247 WeakPolarHBondContact CD-NE2 3.27Å
246L97.2Very high86.5Confident0 Ų033.7 Ų33.70%018%0.178CC..EExtended strand (participates in β ladder)trans-104.2116.9177.4177.556.6000110.7I84 I85 V88 G94 I96 I130 T225 I226 L248I84-L246 HydrophobicContact CG2-CD1 4.31Å; I85-L246 HydrophobicContact CD1-CD2 4.07Å; I85-L246 HydrophobicContact CG1-CD2 3.87Å; V88-L246 HydrophobicContact CB-CB 4.47Å; V88-L246 HydrophobicContact CG1-CB 4.01Å; V88-L246 HydrophobicContact CG2-CB 4.03Å; V88-L246 HydrophobicContact CG2-CD1 4.38Å; G94-L246 CarbonylContact O-C 3.6Å; G94-L246 WeakPolarHBondContact O-CA 3.43Å; I96-L246 HydrophobicContact CG1-CD1 4.5Å; I130-L246 HydrophobicContact CD1-CD2 4.43Å; T225-L246 CarbonylContact C-O 3.59Å; T225-L246 WeakPolarHBondContact CA-O 3.27Å; I226-L246 HydrophobicContact CB-CB 4.37Å; I226-L246 HydrophobicContact CD1-CD2 4.34Å; I226-L246 PolarHBondContact N-O 3.18Å; I226-L246 PolarHBondContact O-N 3.04Å; L246-L248 HydrophobicContact CD1-CD2 3.76Å; L246-L248 HydrophobicContact CD1-CG 4.39Å; L246-L248 HydrophobicContact CD2-CD1 4.28Å; L246-L248 HydrophobicContact CD2-CD2 4.02Å; L246-L248 HydrophobicContact CD2-CG 4.24Å; L246-L248 HydrophobicContact CG-CD1 4.47Å; L246-L248 HydrophobicContact CG-CD2 3.81Å; L246-L248 HydrophobicContact CG-CG 3.95Å
247H97.2Very high86Confident31 Ų3132.4 Ų32.414%0.14417%0.17CC..EExtended strand (participates in β ladder)trans-95.7124.1168.3-66.1-61.6000110.7G94 T95 I96 I223 T225 K245 V249G94-H247 PolarHBondContact O-N 3.14Å; T95-H247 WeakPolarHBondContact CA-O 3.48Å; T95-H247 HydrophobicContact CG2-CB 4.18Å; I96-H247 PolarHBondContact N-O 2.83Å; I223-H247 HydrophobicContact CG2-CB 4.45Å; T225-H247 VanDerWaalsContact CG2-CE1 3.49Å; T225-H247 WeakPolarHBondContact CG2-CE1 3.37Å; T225-H247 WeakPolarHBondContact CG2-ND1 3.11Å; T225-H247 PolarHBondContact OG1-CE1 3.26Å; T225-H247 PolarHBondContact OG1-ND1 3.2Å; K245-H247 VanDerWaalsContact CD-NE2 3.28Å; K245-H247 WeakPolarHBondContact CD-NE2 3.27Å; H247-V249 HydrophobicContact CB-CG2 4.35Å
248L97Very high85.4Confident1 Ų135.3 Ų35.31%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-114.3109.3175.3-58177000108.3I96 M110 I122 I123 F224 I226 L246I96-L248 HydrophobicContact CB-CD2 3.93Å; I96-L248 HydrophobicContact CD1-CD2 4.02Å; I96-L248 HydrophobicContact CG1-CD2 4.27Å; M110-L248 HydrophobicContact CE-CB 3.91Å; M110-L248 HydrophobicContact CE-CD2 4.49Å; I122-L248 HydrophobicContact CG2-CD2 4.38Å; I123-L248 HydrophobicContact CB-CD1 4.31Å; I123-L248 HydrophobicContact CD1-CB 4.35Å; I123-L248 HydrophobicContact CG1-CB 4Å; I123-L248 HydrophobicContact CG1-CD1 3.82Å; I123-L248 HydrophobicContact CG1-CG 4.45Å; I123-L248 HydrophobicContact CG2-CD1 4.35Å; F224-L248 HydrophobicContact CB-CB 4.4Å; F224-L248 PolarHBondContact N-O 3.17Å; F224-L248 PolarHBondContact O-N 3.31Å; I226-L248 HydrophobicContact CD1-CD1 4.3Å; L246-L248 HydrophobicContact CD1-CD2 3.76Å; L246-L248 HydrophobicContact CD1-CG 4.39Å; L246-L248 HydrophobicContact CD2-CD1 4.28Å; L246-L248 HydrophobicContact CD2-CD2 4.02Å; L246-L248 HydrophobicContact CD2-CG 4.24Å; L246-L248 HydrophobicContact CG-CD1 4.47Å; L246-L248 HydrophobicContact CG-CD2 3.81Å; L246-L248 HydrophobicContact CG-CG 3.95Å
249V96.3Very high84.5Confident0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-117.1122.9-166.1-1740000111.7I96 F97 A98 A222 I223 H247 L251 L306I96-V249 PolarHBondContact O-N 3.4Å; F97-V249 WeakPolarHBondContact CA-O 3.47Å; F97-V249 HydrophobicContact CB-CB 3.69Å; F97-V249 HydrophobicContact CB-CG1 4.2Å; F97-V249 HydrophobicContact CB-CG2 4.29Å; A98-V249 PolarHBondContact N-O 3.42Å; A222-V249 WeakPolarHBondContact O-CA 3.47Å; I223-V249 HydrophobicContact CG1-CG1 4.06Å; I223-V249 HydrophobicContact CG1-CG2 4.1Å; I223-V249 HydrophobicContact CG2-CG2 4.18Å; H247-V249 HydrophobicContact CB-CG2 4.35Å; V249-L251 HydrophobicContact CG1-CD2 3.46Å; V249-L251 VanDerWaalsContact CG1-CD2 3.46Å; V249-L251 HydrophobicContact CG1-CG 3.9Å; V249-L306 HydrophobicContact CG2-CD2 4.17Å
250D94.4Very high83.7Confident10 Ų1033.6 Ų33.65%0.05318%0.181CC..EExtended strand (participates in β ladder)trans-106.2104.8167.1-170.836.1000108.2K106 T107 M110 H221 A222K106-D250 VanDerWaalsContact CB-OD1 3.24Å; K106-D250 WeakPolarHBondContact CB-OD1 3.48Å; T107-D250 WeakPolarHBondContact CB-OD2 3.48Å; T107-D250 WeakPolarHBondContact CG2-OD2 3.28Å; T107-D250 PolarHBondContact N-OD1 3.32Å; T107-D250 VanDerWaalsContact N-OD1 3.11Å; T107-D250 PolarHBondContact OG1-OD1 2.93Å; T107-D250 PolarHBondContact OG1-OD2 2.98Å; M110-D250 HydrophobicContact CB-CB 4.5Å; M110-D250 HydrophobicContact CG-CB 4.28Å; H221-D250 WeakPolarHBondContact CA-O 3.4Å; A222-D250 PolarHBondContact N-O 3.04Å; A222-D250 PolarHBondContact O-N 2.92Å
251L92.4Very high82.5Confident1 Ų135.6 Ų35.61%0.00521%0.208CC..PPolyproline II helixtrans-78.6163.7-176.8-62.3175.2000111.9F97 A98 Y99 K106 H221 V249 L277 L280 L302F97-L251 HydrophobicContact CD2-CD1 3.81Å; F97-L251 HydrophobicContact CE2-CD1 4.47Å; A98-L251 VanDerWaalsContact O-CB 3.31Å; A98-L251 WeakPolarHBondContact O-CB 3.47Å; A98-L251 WeakPolarHBondContact O-CG 3.47Å; A98-L251 PolarHBondContact O-N 3.29Å; Y99-L251 HydrophobicContact CD2-CD1 3.85Å; K106-L251 WeakPolarHBondContact CE-O 3.43Å; H221-L251 HydrophobicContact CB-CD2 4.23Å; H221-L251 WeakPolarHBondContact ND1-CA 3.42Å; H221-L251 WeakPolarHBondContact ND1-CD2 3.44Å; V249-L251 HydrophobicContact CG1-CD2 3.46Å; V249-L251 VanDerWaalsContact CG1-CD2 3.46Å; V249-L251 HydrophobicContact CG1-CG 3.9Å; L251-L277 HydrophobicContact CB-CD2 4.49Å; L251-L277 HydrophobicContact CD1-CD2 4.28Å; L251-L280 HydrophobicContact CD1-CD2 4.08Å; L251-L302 HydrophobicContact CD2-CD1 3.9Å; L251-L302 HydrophobicContact CD2-CD2 3.97Å
252A88.9Confident81.2Confident0 Ų033.3 Ų33.30%020%0.196CC..PPolyproline II helixtrans-63.5171.1168.300000112.7K106 S218 H221 I273 L277K106-A252 VanDerWaalsContact CE-O 3.27Å; K106-A252 WeakPolarHBondContact CE-O 3.28Å; K106-A252 PolarHBondContact NZ-O 2.92Å; S218-A252 WeakPolarHBondContact O-CB 3.44Å; H221-A252 VanDerWaalsContact CE1-CB 3.47Å; H221-A252 WeakPolarHBondContact CE1-CB 3.37Å; H221-A252 PolarHBondContact CE1-N 2.97Å; H221-A252 PolarHBondContact ND1-N 2.82Å; A252-I273 HydrophobicContact CB-CG2 3.83Å; A252-L277 HydrophobicContact CB-CD1 4.45Å
253G86.3Confident79.8Confident3 Ų337 Ų373%0.03122%0.223CC..PPolyproline II helixtrans-61.7132.4171.700000113T102 S218 E255 L277T102-G253 WeakPolarHBondContact OG1-CA 3.45Å; S218-G253 PolarHBondContact O-N 2.79Å; G253-E255 VanDerWaalsContact C-N 3.29Å; G253-E255 VanDerWaalsContact C-OE2 3.28Å; G253-E255 WeakPolarHBondContact CA-OE2 3.25Å; G253-L277 VanDerWaalsContact O-CD1 3.27Å; G253-L277 WeakPolarHBondContact O-CD1 3.15Å
254S84.8Confident78.9Confident17 Ų1736.2 Ų36.212%0.11923%0.233CC..  trans-82.80.7176.670.60000114.4Y99 G100 Q101Y99-S254 WeakPolarHBondContact OH-CB 3.48Å; G100-S254 WeakPolarHBondContact CA-OG 3.44Å; G100-S254 PolarHBondContact O-N 3.47Å; G100-S254 PolarHBondContact O-OG 2.83Å; Q101-S254 PolarHBondContact N-OG 3.08Å; Q101-S254 VanDerWaalsContact N-OG 3.15Å
255E77.5Confident77.4Confident32 Ų3244 Ų4415%0.1527%0.269CS..  trans-61.1147.1-175.551.7-86.4-163.600114.6Q101 T102 G253 T260 N274Q101-E255 WeakPolarHBondContact CA-OE2 3.41Å; Q101-E255 HydrophobicContact CG-CB 4.29Å; T102-E255 WeakPolarHBondContact CB-OE1 3.34Å; T102-E255 PolarHBondContact N-OE2 2.7Å; T102-E255 PolarHBondContact OG1-OE1 3.02Å; T102-E255 PolarHBondContact OG1-OE2 2.66Å; G253-E255 VanDerWaalsContact C-N 3.29Å; G253-E255 VanDerWaalsContact C-OE2 3.28Å; G253-E255 WeakPolarHBondContact CA-OE2 3.25Å; E255-T260 HydrophobicContact CG-CG2 4.27Å; E255-N274 PolarHBondContact O-ND2 3.17Å
256R65.6Low76Confident71 Ų7146.7 Ų46.727%0.26828%0.278SS..  trans-73.3134.8173.9-58.1-171.7-175-135.7-2.3110.5A258 K259 S334 E592R256-A258 PolarHBondContact O-N 3.05Å; R256-K259 PolarHBondContact O-N 3.4Å; R256-S334 PolarHBondContact NH2-OG 2.94Å; R256-E592 IonicContact NH2-OE1 2.63Å; R256-E592 PolarHBondContact NH2-OE1 2.91Å
257Q60.3Low74.5Confident47 Ų4748.7 Ų48.722%0.2229%0.289CS..G310 helixtrans-48.3-36-175-62-173.1-15.600114.5K259 T260 A270 T271Q257-K259 PolarHBondContact O-N 2.99Å; Q257-K259 VanDerWaalsContact O-N 3.16Å; Q257-T260 WeakPolarHBondContact O-CB 3.37Å; Q257-T260 PolarHBondContact O-N 3.16Å; Q257-T260 PolarHBondContact O-OG1 3.4Å; Q257-A270 HydrophobicContact CG-CB 4.24Å; Q257-A270 PolarHBondContact NE2-O 3.03Å; Q257-A270 VanDerWaalsContact NE2-O 3.15Å; Q257-T271 PolarHBondContact NE2-OG1 2.91Å
258A58.4Low73.1Confident101 Ų10152 Ų5284%0.83530%0.303SS*.G310 helixtrans-55.1-31179.300000113.8R256 T260R256-A258 PolarHBondContact O-N 3.05Å; A258-T260 VanDerWaalsContact C-N 3.32Å
259K60.2Low71.7Confident80 Ų8052.9 Ų52.935%0.34831%0.307SS..G310 helixtrans-75.4-17.2174.8-69.9-160.7-179.8-169.40114R256 Q257 Y327 E331R256-K259 PolarHBondContact O-N 3.4Å; Q257-K259 PolarHBondContact O-N 2.99Å; Q257-K259 VanDerWaalsContact O-N 3.16Å; K259-Y327 PolarHBondContact NZ-O 2.94Å; K259-E331 HydrophobicContact CD-CG 4.18Å; K259-E331 VanDerWaalsContact CD-OE1 3.3Å; K259-E331 WeakPolarHBondContact CD-OE1 3.46Å; K259-E331 WeakPolarHBondContact CE-OE1 3.46Å; K259-E331 IonicContact NZ-OE1 3.68Å
260T59.9Low70.2Confident67 Ų6753.1 Ų53.141%0.41131%0.309SS..THydrogen-bonded Turntrans-86.2-20.3-172.971.70000114.2E255 Q257 A258 A262E255-T260 HydrophobicContact CG-CG2 4.27Å; Q257-T260 WeakPolarHBondContact O-CB 3.37Å; Q257-T260 PolarHBondContact O-N 3.16Å; Q257-T260 PolarHBondContact O-OG1 3.4Å; A258-T260 VanDerWaalsContact C-N 3.32Å; T260-A262 PolarHBondContact O-N 3.27Å; T260-A262 VanDerWaalsContact O-N 3.12Å; T260-A262 WeakPolarHBondContact OG1-CB 3.04Å; T260-A262 PolarHBondContact OG1-N 3.02Å
261G59.3Low69Low64 Ų6454.8 Ų54.866%0.6632%0.32SS*.THydrogen-bonded Turntrans60.516-175.400000115
262A59.1Low67.9Low22 Ų2258.7 Ų58.718%0.18234%0.336CS..  trans-69.9133.7-171.800000113T260 R266T260-A262 PolarHBondContact O-N 3.27Å; T260-A262 VanDerWaalsContact O-N 3.12Å; T260-A262 WeakPolarHBondContact OG1-CB 3.04Å; T260-A262 PolarHBondContact OG1-N 3.02Å; A262-R266 HydrophobicContact CB-CB 4.1Å
263T60.5Low66.9Low113 Ų11359.2 Ų59.269%0.69334%0.339SS*.  trans-122.6160.3179.356.50000112.1Q265 R266T263-Q265 PolarHBondContact O-N 2.99Å; T263-R266 PolarHBondContact O-N 3.38Å
264G72.1Confident66.2Low56 Ų5660.9 Ų60.958%0.57735%0.347SS*.THydrogen-bonded Turntrans59-131.4175.500000113.5R266 L267G264-R266 VanDerWaalsContact C-N 3.27Å; G264-R266 PolarHBondContact O-N 3.09Å; G264-L267 WeakPolarHBondContact O-CB 3.47Å; G264-L267 PolarHBondContact O-N 3.4Å; G264-L267 VanDerWaalsContact O-N 3.09Å
265Q64Low66Low165 Ų16564 Ų6477%0.77136%0.362SS*.Hα-helixtrans-61.8-33.3-177.6-168.1169.4100112.9T263 L267 K268 E269T263-Q265 PolarHBondContact O-N 2.99Å; Q265-L267 PolarHBondContact O-N 3.17Å; Q265-K268 PolarHBondContact O-N 3.47Å; Q265-E269 PolarHBondContact O-N 3.3Å; Q265-E269 VanDerWaalsContact O-N 3.14Å
266R64.8Low66.4Low99 Ų9962.6 Ų62.637%0.37436%0.356SS..Hα-helixtrans-64.9-25.1176.3-69176.4171.5172.3-5.6112.9M213 N214 R219 A262 T263 G264 A270M213-R266 PolarHBondContact O-NH2 2.94Å; N214-R266 PolarHBondContact ND2-NE 2.69Å; N214-R266 VanDerWaalsContact OD1-CZ 3.32Å; N214-R266 PolarHBondContact OD1-NH2 2.73Å; R219-R266 PolarHBondContact NH2-O 2.78Å; A262-R266 HydrophobicContact CB-CB 4.1Å; T263-R266 PolarHBondContact O-N 3.38Å; G264-R266 VanDerWaalsContact C-N 3.27Å; G264-R266 PolarHBondContact O-N 3.09Å; R266-A270 WeakPolarHBondContact O-CB 3.41Å; R266-A270 PolarHBondContact O-N 3.32Å; R266-A270 VanDerWaalsContact O-N 3.09Å
267L66.3Low67.3Low42 Ų4259.8 Ų59.822%0.2235%0.346CS..Hα-helixtrans-74.5-46.1175-17962.2000111.2G264 Q265 E269 A270 T271G264-L267 WeakPolarHBondContact O-CB 3.47Å; G264-L267 PolarHBondContact O-N 3.4Å; G264-L267 VanDerWaalsContact O-N 3.09Å; Q265-L267 PolarHBondContact O-N 3.17Å; L267-E269 VanDerWaalsContact C-N 3.26Å; L267-E269 PolarHBondContact O-N 3.24Å; L267-A270 WeakPolarHBondContact O-CB 3.38Å; L267-A270 PolarHBondContact O-N 2.79Å; L267-A270 VanDerWaalsContact O-N 3.08Å; L267-T271 PolarHBondContact O-N 3.37Å; L267-T271 PolarHBondContact O-OG1 3.22Å
268K67.6Low68.5Low101 Ų10160.9 Ų60.944%0.43936%0.359SS..Hα-helixtrans-57.6-41.8175.3-70.1-170.2167.7-167.70112.1Q265 T271 K272 E610Q265-K268 PolarHBondContact O-N 3.47Å; K268-T271 PolarHBondContact O-N 2.75Å; K268-K272 PolarHBondContact O-N 3.36Å; K268-E610 WeakPolarHBondContact CE-OE2 3.19Å; K268-E610 IonicContact NZ-OE1 2.63Å; K268-E610 PolarHBondContact NZ-OE1 2.72Å; K268-E610 IonicContact NZ-OE2 2.71Å; K268-E610 PolarHBondContact NZ-OE2 2.84Å
269E67Low69.9Low20 Ų2056.3 Ų56.39%0.09332%0.321CS..Hα-helixtrans-60.4-48.1172.9-169.6-162148.900111.5Y153 R219 Q265 L267 T271 K272 I273Y153-E269 HydrophobicContact CE2-CG 3.98Å; Y153-E269 WeakPolarHBondContact CE2-OE1 3.41Å; Y153-E269 PolarHBondContact OH-OE1 2.94Å; R219-E269 IonicContact CZ-OE1 2.69Å; R219-E269 IonicContact CZ-OE2 2.66Å; R219-E269 IonicContact NE-OE1 2.65Å; R219-E269 PolarHBondContact NE-OE1 2.81Å; R219-E269 IonicContact NH1-OE1 2.63Å; R219-E269 PolarHBondContact NH1-OE1 3.01Å; R219-E269 IonicContact NH1-OE2 2.74Å; R219-E269 PolarHBondContact NH1-OE2 2.8Å; R219-E269 IonicContact NH2-OE1 3.47Å; R219-E269 IonicContact NH2-OE2 3.17Å; Q265-E269 PolarHBondContact O-N 3.3Å; Q265-E269 VanDerWaalsContact O-N 3.14Å; L267-E269 VanDerWaalsContact C-N 3.26Å; L267-E269 PolarHBondContact O-N 3.24Å; E269-T271 VanDerWaalsContact C-N 3.26Å; E269-T271 PolarHBondContact O-N 3.36Å; E269-K272 PolarHBondContact O-N 3.44Å; E269-K272 VanDerWaalsContact O-N 3.13Å; E269-I273 HydrophobicContact CG-CD1 4.03Å; E269-I273 VanDerWaalsContact O-CG1 3.3Å; E269-I273 WeakPolarHBondContact O-CG1 3.37Å; E269-I273 PolarHBondContact O-N 3.07Å
270A65.3Low71.3Confident4 Ų452.5 Ų52.53%0.03330%0.304CS..Hα-helixtrans-60.3-31.3175.800000113.2Q257 R266 L267 N274Q257-A270 HydrophobicContact CG-CB 4.24Å; Q257-A270 PolarHBondContact NE2-O 3.03Å; Q257-A270 VanDerWaalsContact NE2-O 3.15Å; R266-A270 WeakPolarHBondContact O-CB 3.41Å; R266-A270 PolarHBondContact O-N 3.32Å; R266-A270 VanDerWaalsContact O-N 3.09Å; L267-A270 WeakPolarHBondContact O-CB 3.38Å; L267-A270 PolarHBondContact O-N 2.79Å; L267-A270 VanDerWaalsContact O-N 3.08Å; A270-N274 WeakPolarHBondContact O-CB 3.42Å; A270-N274 PolarHBondContact O-N 3.09Å; A270-N274 PolarHBondContact O-OD1 3.25Å; A270-N274 VanDerWaalsContact O-OD1 3.06Å
271T68.6Low72.7Confident46 Ų4649.7 Ų49.728%0.28229%0.288SS..Hα-helixtrans-70.2-38175.3-590000111.9Q257 L267 K268 E269 L275Q257-T271 PolarHBondContact NE2-OG1 2.91Å; L267-T271 PolarHBondContact O-N 3.37Å; L267-T271 PolarHBondContact O-OG1 3.22Å; K268-T271 PolarHBondContact O-N 2.75Å; E269-T271 VanDerWaalsContact C-N 3.26Å; E269-T271 PolarHBondContact O-N 3.36Å; T271-L275 WeakPolarHBondContact O-CB 3.36Å; T271-L275 PolarHBondContact O-N 3.34Å
272K69.8Low74.1Confident82 Ų8251 Ų5136%0.35728%0.28SS..Hα-helixtrans-73-33.2174.1-79.1179.7148.7-151.10113.7N154 K268 E269N154-K272 HydrophobicContact CB-CD 4.46Å; N154-K272 PolarHBondContact ND2-NZ 2.93Å; N154-K272 WeakPolarHBondContact O-CD 3.16Å; N154-K272 PolarHBondContact O-NZ 3.46Å; N154-K272 WeakPolarHBondContact OD1-CD 3.34Å; K268-K272 PolarHBondContact O-N 3.36Å; E269-K272 PolarHBondContact O-N 3.44Å; E269-K272 VanDerWaalsContact O-N 3.13Å
273I68.2Low75.6Confident12 Ų1250 Ų506%0.06227%0.272CS..Hα-helixtrans-63.7-53.2173.2-65.3160000109.3R219 A252 E269 L275 S276R219-I273 HydrophobicContact CB-CD1 3.61Å; R219-I273 HydrophobicContact CG-CD1 4.23Å; R219-I273 WeakPolarHBondContact O-CD1 3.38Å; R219-I273 WeakPolarHBondContact O-CG1 3.48Å; A252-I273 HydrophobicContact CB-CG2 3.83Å; E269-I273 HydrophobicContact CG-CD1 4.03Å; E269-I273 VanDerWaalsContact O-CG1 3.3Å; E269-I273 WeakPolarHBondContact O-CG1 3.37Å; E269-I273 PolarHBondContact O-N 3.07Å; I273-L275 VanDerWaalsContact C-N 3.31Å; I273-L275 PolarHBondContact O-N 2.8Å; I273-S276 PolarHBondContact O-N 2.8Å; I273-S276 PolarHBondContact O-OG 3.37Å
274N70.6Confident77.1Confident38 Ų3844.7 Ų44.720%0.20324%0.239CC..Hα-helixtrans-67.4-30.2-178.7-69.848000112.2E255 A270 S276 L277 S278E255-N274 PolarHBondContact O-ND2 3.17Å; A270-N274 WeakPolarHBondContact O-CB 3.42Å; A270-N274 PolarHBondContact O-N 3.09Å; A270-N274 PolarHBondContact O-OD1 3.25Å; A270-N274 VanDerWaalsContact O-OD1 3.06Å; N274-S276 VanDerWaalsContact C-N 3.28Å; N274-S276 PolarHBondContact O-N 2.9Å; N274-L277 PolarHBondContact O-N 2.88Å; N274-S278 VanDerWaalsContact O-CB 3.28Å; N274-S278 WeakPolarHBondContact O-CB 3.44Å; N274-S278 PolarHBondContact O-N 2.85Å; N274-S278 PolarHBondContact O-OG 2.91Å
275L81.1Confident77.8Confident82 Ų8243 Ų4343%0.42922%0.218SC..Hα-helixtrans-51.3-45.8171.9174.463.3000112.2E155 T271 I273 T279E155-L275 HydrophobicContact CG-CD2 4.3Å; T271-L275 WeakPolarHBondContact O-CB 3.36Å; T271-L275 PolarHBondContact O-N 3.34Å; I273-L275 VanDerWaalsContact C-N 3.31Å; I273-L275 PolarHBondContact O-N 2.8Å; L275-T279 VanDerWaalsContact O-CB 3.23Å; L275-T279 WeakPolarHBondContact O-CB 3.39Å; L275-T279 PolarHBondContact O-N 3.38Å; L275-T279 PolarHBondContact O-OG1 2.76Å
276S85.1Confident79Confident3 Ų335.7 Ų35.72%0.02119%0.186CC..Hα-helixtrans-65.4-42.8-179.367.70000113.2E155 H221 I273 N274 T279 L280 S300E155-S276 WeakPolarHBondContact OE1-CB 3.39Å; H221-S276 PolarHBondContact NE2-OG 3.25Å; I273-S276 PolarHBondContact O-N 2.8Å; I273-S276 PolarHBondContact O-OG 3.37Å; N274-S276 VanDerWaalsContact C-N 3.28Å; N274-S276 PolarHBondContact O-N 2.9Å; S276-T279 PolarHBondContact O-N 2.73Å; S276-L280 WeakPolarHBondContact O-CB 3.32Å; S276-L280 PolarHBondContact O-N 3.03Å; S276-S300 WeakPolarHBondContact CB-OG 3.49Å
277L85.9Confident80.2Confident11 Ų1133.1 Ų33.16%0.05818%0.18CC..Hα-helixtrans-77.4-35.9-179.6-67.8-179.1000113Y99 L251 A252 G253 N274 T279 L280 G281 L302Y99-L277 HydrophobicContact CD2-CD2 4.45Å; Y99-L277 HydrophobicContact CE2-CD2 4.21Å; L251-L277 HydrophobicContact CB-CD2 4.49Å; L251-L277 HydrophobicContact CD1-CD2 4.28Å; A252-L277 HydrophobicContact CB-CD1 4.45Å; G253-L277 VanDerWaalsContact O-CD1 3.27Å; G253-L277 WeakPolarHBondContact O-CD1 3.15Å; N274-L277 PolarHBondContact O-N 2.88Å; L277-T279 VanDerWaalsContact C-N 3.34Å; L277-L280 HydrophobicContact CD2-CD2 4.27Å; L277-L280 WeakPolarHBondContact O-CB 3.38Å; L277-L280 PolarHBondContact O-N 3.16Å; L277-G281 PolarHBondContact O-N 2.97Å; L277-L302 HydrophobicContact CD2-CD2 4.33Å
278S84.5Confident81.2Confident70 Ų7033.4 Ų33.449%0.4918%0.183SC..Hα-helixtrans-64.7-39.2169.8-67.20000111.1N274 G281 N282N274-S278 VanDerWaalsContact O-CB 3.28Å; N274-S278 WeakPolarHBondContact O-CB 3.44Å; N274-S278 PolarHBondContact O-N 2.85Å; N274-S278 PolarHBondContact O-OG 2.91Å; S278-G281 PolarHBondContact O-N 2.94Å; S278-N282 PolarHBondContact O-N 2.91Å; S278-N282 PolarHBondContact O-ND2 3.47Å; S278-N282 PolarHBondContact O-OD1 3.05Å
279T87.9Confident81.9Confident5 Ų533 Ų333%0.03119%0.186CC..Hα-helixtrans-64.4-42.4173.6-59.50000111.5L275 S276 L277 G281 N282 V283 N299 T303L275-T279 VanDerWaalsContact O-CB 3.23Å; L275-T279 WeakPolarHBondContact O-CB 3.39Å; L275-T279 PolarHBondContact O-N 3.38Å; L275-T279 PolarHBondContact O-OG1 2.76Å; S276-T279 PolarHBondContact O-N 2.73Å; L277-T279 VanDerWaalsContact C-N 3.34Å; T279-G281 VanDerWaalsContact C-N 3.29Å; T279-G281 PolarHBondContact O-N 3.48Å; T279-N282 PolarHBondContact O-N 2.99Å; T279-N282 VanDerWaalsContact O-N 3.16Å; T279-V283 WeakPolarHBondContact O-CG2 3.36Å; T279-V283 PolarHBondContact O-N 3.27Å; T279-N299 HydrophobicContact CG2-CB 3.56Å; T279-T303 HydrophobicContact CG2-CG2 3.91Å; T279-T303 WeakPolarHBondContact CG2-OG1 3.45Å
280L90.7Very high82.1Confident1 Ų135.4 Ų35.41%0.00522%0.215CC..Hα-helixtrans-57.7-42.4172.3-16571.8000110.8L251 S276 L277 N282 V283 I284 L302 T303 L306 L310 Y338L251-L280 HydrophobicContact CD1-CD2 4.08Å; S276-L280 WeakPolarHBondContact O-CB 3.32Å; S276-L280 PolarHBondContact O-N 3.03Å; L277-L280 HydrophobicContact CD2-CD2 4.27Å; L277-L280 WeakPolarHBondContact O-CB 3.38Å; L277-L280 PolarHBondContact O-N 3.16Å; L280-N282 PolarHBondContact O-N 2.77Å; L280-V283 PolarHBondContact O-N 2.97Å; L280-I284 VanDerWaalsContact O-CG1 3.31Å; L280-I284 WeakPolarHBondContact O-CG1 3.31Å; L280-I284 PolarHBondContact O-N 2.95Å; L280-L302 HydrophobicContact CD2-CD2 4.3Å; L280-T303 HydrophobicContact CB-CG2 3.98Å; L280-T303 HydrophobicContact CD1-CG2 3.69Å; L280-T303 HydrophobicContact CG-CG2 4.47Å; L280-L306 HydrophobicContact CD1-CD1 4.48Å; L280-L310 HydrophobicContact CD1-CD1 3.56Å; L280-Y338 VanDerWaalsContact CB-OH 3.24Å; L280-Y338 WeakPolarHBondContact CB-OH 3.41Å; L280-Y338 WeakPolarHBondContact CD2-OH 3.42Å; L280-Y338 WeakPolarHBondContact CG-OH 3.42Å
281G88.8Confident82.6Confident7 Ų743.8 Ų43.87%0.07225%0.251CS..Hα-helixtrans-64.5-36.7174.700000114.4L277 S278 T279 S285 Y338L277-G281 PolarHBondContact O-N 2.97Å; S278-G281 PolarHBondContact O-N 2.94Å; T279-G281 VanDerWaalsContact C-N 3.29Å; T279-G281 PolarHBondContact O-N 3.48Å; G281-S285 WeakPolarHBondContact O-CB 3.45Å; G281-S285 PolarHBondContact O-N 2.82Å; G281-S285 PolarHBondContact O-OG 3.27Å; G281-Y338 VanDerWaalsContact CA-CE2 3.47Å; G281-Y338 PolarHBondContact N-OH 3.31Å; G281-Y338 VanDerWaalsContact N-OH 3.1Å
282N88.3Confident82.8Confident93 Ų9344.2 Ų44.250%0.49726%0.256SS..Hα-helixtrans-69.2-40.7175.5-67-16.2000111.6S278 T279 L280 S285 A286 P296S278-N282 PolarHBondContact O-N 2.91Å; S278-N282 PolarHBondContact O-ND2 3.47Å; S278-N282 PolarHBondContact O-OD1 3.05Å; T279-N282 PolarHBondContact O-N 2.99Å; T279-N282 VanDerWaalsContact O-N 3.16Å; L280-N282 PolarHBondContact O-N 2.77Å; N282-S285 PolarHBondContact O-N 2.97Å; N282-A286 WeakPolarHBondContact O-CB 3.31Å; N282-A286 PolarHBondContact O-N 2.86Å; N282-P296 HydrophobicContact CB-CG 4.23Å
283V91.6Very high83.2Confident0 Ų047.7 Ų47.70%029%0.285CS..Hα-helixtrans-59-49.9172.5162.50000110.8T279 L280 S285 A286 L287 V295 P296 Y297 T303 L310T279-V283 WeakPolarHBondContact O-CG2 3.36Å; T279-V283 PolarHBondContact O-N 3.27Å; L280-V283 PolarHBondContact O-N 2.97Å; V283-S285 VanDerWaalsContact C-N 3.34Å; V283-S285 PolarHBondContact O-N 3.06Å; V283-A286 PolarHBondContact O-N 3.43Å; V283-L287 HydrophobicContact CG1-CD1 3.9Å; V283-L287 WeakPolarHBondContact O-CB 3.43Å; V283-L287 WeakPolarHBondContact O-CG 3.48Å; V283-L287 PolarHBondContact O-N 2.59Å; V283-V295 HydrophobicContact CB-CG1 4.15Å; V283-V295 HydrophobicContact CG1-CG1 3.81Å; V283-V295 HydrophobicContact CG2-CG1 4.08Å; V283-P296 HydrophobicContact CG2-CG 4.07Å; V283-Y297 HydrophobicContact CG1-CD1 3.8Å; V283-Y297 HydrophobicContact CG1-CE1 3.46Å; V283-Y297 VanDerWaalsContact CG1-CE1 3.46Å; V283-Y297 HydrophobicContact CG2-CD1 4.03Å; V283-Y297 HydrophobicContact CG2-CE1 4.47Å; V283-T303 HydrophobicContact CB-CG2 4.48Å; V283-T303 HydrophobicContact CG2-CG2 3.96Å; V283-L310 HydrophobicContact CG1-CD1 4.22Å
284I90.8Very high84Confident1 Ų153.9 Ų53.91%0.00531%0.313CS..Hα-helixtrans-61.1-41.7178.2-69.8-175.8000111.6L280 L287 V288 L310 Y338 R341 A342 I345L280-I284 VanDerWaalsContact O-CG1 3.31Å; L280-I284 WeakPolarHBondContact O-CG1 3.31Å; L280-I284 PolarHBondContact O-N 2.95Å; I284-L287 PolarHBondContact O-N 2.87Å; I284-V288 VanDerWaalsContact O-CG2 3.23Å; I284-V288 WeakPolarHBondContact O-CG2 3.43Å; I284-V288 PolarHBondContact O-N 2.98Å; I284-V288 VanDerWaalsContact O-N 3.15Å; I284-L310 HydrophobicContact CG1-CD1 4.42Å; I284-Y338 HydrophobicContact CD1-CD1 4.29Å; I284-Y338 HydrophobicContact CD1-CE1 3.48Å; I284-Y338 VanDerWaalsContact CD1-CE1 3.48Å; I284-R341 HydrophobicContact CG2-CB 3.83Å; I284-A342 HydrophobicContact CD1-CB 4.1Å; I284-A342 HydrophobicContact CG2-CB 4.41Å; I284-I345 HydrophobicContact CB-CD1 4.18Å; I284-I345 HydrophobicContact CD1-CD1 4.25Å; I284-I345 HydrophobicContact CG1-CD1 3.71Å; I284-I345 HydrophobicContact CG2-CD1 4.03Å
285S87.7Confident84.8Confident21 Ų2153.3 Ų53.315%0.14731%0.311CS..Hα-helixtrans-67-45.8179.7-52.90000111.5G281 N282 V283 L287 V288 D289 R341G281-S285 WeakPolarHBondContact O-CB 3.45Å; G281-S285 PolarHBondContact O-N 2.82Å; G281-S285 PolarHBondContact O-OG 3.27Å; N282-S285 PolarHBondContact O-N 2.97Å; V283-S285 VanDerWaalsContact C-N 3.34Å; V283-S285 PolarHBondContact O-N 3.06Å; S285-L287 VanDerWaalsContact C-N 3.3Å; S285-L287 PolarHBondContact O-N 3.44Å; S285-V288 PolarHBondContact O-N 2.69Å; S285-V288 VanDerWaalsContact O-N 3.15Å; S285-D289 WeakPolarHBondContact O-CB 3.23Å; S285-D289 PolarHBondContact O-N 3.4Å; S285-R341 PolarHBondContact OG-NH1 3.21Å
286A89Confident85.3Confident11 Ų1150.5 Ų50.59%0.09130%0.297CS..Hα-helixtrans-59.9-37.5176.600000113.1N282 V283 V295N282-A286 WeakPolarHBondContact O-CB 3.31Å; N282-A286 PolarHBondContact O-N 2.86Å; V283-A286 PolarHBondContact O-N 3.43Å; A286-V295 HydrophobicContact CB-CG1 4.39Å; A286-V295 HydrophobicContact CB-CG2 4.24Å
287L89.2Confident85.5Confident46 Ų4652 Ų5224%0.24130%0.303CS..Hα-helixtrans-68.1-34.4175.8-77.5166.8000113.4V283 I284 S285 V295 L310 I345V283-L287 HydrophobicContact CG1-CD1 3.9Å; V283-L287 WeakPolarHBondContact O-CB 3.43Å; V283-L287 WeakPolarHBondContact O-CG 3.48Å; V283-L287 PolarHBondContact O-N 2.59Å; I284-L287 PolarHBondContact O-N 2.87Å; S285-L287 VanDerWaalsContact C-N 3.3Å; S285-L287 PolarHBondContact O-N 3.44Å; L287-V295 HydrophobicContact CD2-CG2 4.07Å; L287-V295 HydrophobicContact CG-CG1 4.11Å; L287-V295 HydrophobicContact CG-CG2 4.23Å; L287-L310 HydrophobicContact CD1-CB 4.01Å; L287-I345 HydrophobicContact CB-CG1 4.23Å; L287-I345 HydrophobicContact CB-CG2 4.5Å; L287-I345 HydrophobicContact CD1-CD1 4.36Å; L287-I345 HydrophobicContact CD1-CG1 4.47Å; L287-I345 HydrophobicContact CD1-CG2 4.04Å
288V88Confident85.7Confident48 Ų4859.2 Ų59.229%0.29133%0.329SS..Hα-helixtrans-88.2-35.7-175.4173.20000112.2I284 S285 G290 R341 N344 I345I284-V288 VanDerWaalsContact O-CG2 3.23Å; I284-V288 WeakPolarHBondContact O-CG2 3.43Å; I284-V288 PolarHBondContact O-N 2.98Å; I284-V288 VanDerWaalsContact O-N 3.15Å; S285-V288 PolarHBondContact O-N 2.69Å; S285-V288 VanDerWaalsContact O-N 3.15Å; V288-G290 PolarHBondContact O-N 2.9Å; V288-R341 VanDerWaalsContact CG2-O 3.3Å; V288-R341 WeakPolarHBondContact CG2-O 2.84Å; V288-N344 HydrophobicContact CG1-CB 3.87Å; V288-N344 HydrophobicContact CG2-CB 4.03Å; V288-I345 HydrophobicContact CG2-CG1 3.85Å
289D81.6Confident85.8Confident93 Ų9360.7 Ų60.750%0.49733%0.331SS..Hα-helixtrans-67.8-21.3-179-79.4-29000113.4S285 K291S285-D289 WeakPolarHBondContact O-CB 3.23Å; S285-D289 PolarHBondContact O-N 3.4Å; D289-K291 WeakPolarHBondContact O-CG 3.13Å; D289-K291 PolarHBondContact O-N 3.16Å
290G71.1Confident85.9Confident69 Ų6960.5 Ų60.571%0.71133%0.331SS*.SBendtrans66.1-11.6177.300000116.1V288V288-G290 PolarHBondContact O-N 2.9Å
291K75.8Confident86Confident180 Ų18064.3 Ų64.378%0.78335%0.347SS*.  trans-84-20.4-179.7-63.5157.4-167.8164.40113D289 T293D289-K291 WeakPolarHBondContact O-CG 3.13Å; D289-K291 PolarHBondContact O-N 3.16Å; K291-T293 PolarHBondContact O-N 3.13Å
292S74.3Confident86.2Confident55 Ų5564 Ų6439%0.38534%0.344SS..  trans-89.4101.2-172.9-63.20000111.4H294S292-H294 PolarHBondContact O-N 2.94Å
293T76.3Confident86.4Confident156 Ų15659.6 Ų59.696%0.95732%0.32SS*.SBendtrans-63.6-20.6177.1-35.40000113.5K291K291-T293 PolarHBondContact O-N 3.13Å
294H85.4Confident86.4Confident142 Ų14261.4 Ų61.466%0.65733%0.327SS*.SBendtrans-124.3126178.6174.1-87.3000110.7S292S292-H294 PolarHBondContact O-N 2.94Å
295V88.8Confident86.5Confident26 Ų2662.6 Ų62.616%0.15833%0.333CS..  trans-103.8126.7179.2-178.80000109.3V283 A286 L287 Y297V283-V295 HydrophobicContact CB-CG1 4.15Å; V283-V295 HydrophobicContact CG1-CG1 3.81Å; V283-V295 HydrophobicContact CG2-CG1 4.08Å; A286-V295 HydrophobicContact CB-CG1 4.39Å; A286-V295 HydrophobicContact CB-CG2 4.24Å; L287-V295 HydrophobicContact CD2-CG2 4.07Å; L287-V295 HydrophobicContact CG-CG1 4.11Å; L287-V295 HydrophobicContact CG-CG2 4.23Å; V295-Y297 VanDerWaalsContact C-N 3.25Å; V295-Y297 HydrophobicContact CB-CD2 4.1Å; V295-Y297 HydrophobicContact CB-CE2 3.57Å; V295-Y297 HydrophobicContact CG1-CD1 4.3Å; V295-Y297 HydrophobicContact CG1-CD2 4.05Å; V295-Y297 HydrophobicContact CG1-CE1 3.82Å; V295-Y297 HydrophobicContact CG1-CE2 3.56Å; V295-Y297 HydrophobicContact CG1-CG 4.39Å; V295-Y297 VanDerWaalsContact CG1-CZ 3.41Å; V295-Y297 WeakPolarHBondContact O-CD2 3.36Å; V295-Y297 PolarHBondContact O-N 3.42Å
296P89.9Confident86.7Confident22 Ų2261.7 Ų61.714%0.14333%0.327CS..  trans-81.546-16433.7-38.5000115.1N282 V283 R298 N299N282-P296 HydrophobicContact CB-CG 4.23Å; V283-P296 HydrophobicContact CG2-CG 4.07Å; P296-R298 PolarHBondContact O-N 3.34Å; P296-R298 VanDerWaalsContact O-N 3.1Å; P296-N299 PolarHBondContact O-N 3.34Å
297Y90.8Very high86.9Confident35 Ų3563.3 Ų63.314%0.13733%0.333CS..G310 helixtrans-54.8-32.9-178.3-58.9-72.9000113.8V283 V295 N299 T303 R304 Q307 L310V283-Y297 HydrophobicContact CG1-CD1 3.8Å; V283-Y297 HydrophobicContact CG1-CE1 3.46Å; V283-Y297 VanDerWaalsContact CG1-CE1 3.46Å; V283-Y297 HydrophobicContact CG2-CD1 4.03Å; V283-Y297 HydrophobicContact CG2-CE1 4.47Å; V295-Y297 VanDerWaalsContact C-N 3.25Å; V295-Y297 HydrophobicContact CB-CD2 4.1Å; V295-Y297 HydrophobicContact CB-CE2 3.57Å; V295-Y297 HydrophobicContact CG1-CD1 4.3Å; V295-Y297 HydrophobicContact CG1-CD2 4.05Å; V295-Y297 HydrophobicContact CG1-CE1 3.82Å; V295-Y297 HydrophobicContact CG1-CE2 3.56Å; V295-Y297 HydrophobicContact CG1-CG 4.39Å; V295-Y297 VanDerWaalsContact CG1-CZ 3.41Å; V295-Y297 WeakPolarHBondContact O-CD2 3.36Å; V295-Y297 PolarHBondContact O-N 3.42Å; Y297-N299 PolarHBondContact O-N 3.4Å; Y297-T303 CarbonylContact O-C 3.57Å; Y297-T303 WeakPolarHBondContact O-CB 3.32Å; Y297-T303 PolarHBondContact O-OG1 3.04Å; Y297-R304 VanDerWaalsContact O-CG 3.28Å; Y297-R304 WeakPolarHBondContact O-CG 3.13Å; Y297-R304 PolarHBondContact O-N 3.13Å; Y297-Q307 HydrophobicContact CD1-CB 4.07Å; Y297-Q307 HydrophobicContact CD1-CG 3.92Å; Y297-Q307 HydrophobicContact CD2-CG 3.82Å; Y297-Q307 HydrophobicContact CE1-CB 4.47Å; Y297-Q307 HydrophobicContact CE1-CG 4.15Å; Y297-Q307 HydrophobicContact CE2-CG 4.03Å; Y297-Q307 HydrophobicContact CG-CB 4.23Å; Y297-Q307 HydrophobicContact CG-CG 3.76Å; Y297-L310 PolarHBondContact OH-O 3.12Å
298R89.5Confident86.9Confident163 Ų16363.5 Ų63.562%0.61533%0.334SS*.G310 helixtrans-70.2-13.9-175.2-69.3-175.4171.1-172.2-3.2114.7E173 P296 S300 R304E173-R298 IonicContact OE1-NH2 2.68Å; E173-R298 PolarHBondContact OE1-NH2 3.1Å; E173-R298 VanDerWaalsContact OE1-NH2 3.16Å; E173-R298 IonicContact OE2-CZ 3.56Å; E173-R298 IonicContact OE2-NE 2.57Å; E173-R298 IonicContact OE2-NH2 3.63Å; E173-R298 PolarHBondContact OE2-NH2 3.36Å; E173-R298 VanDerWaalsContact OE2-NH2 3.16Å; P296-R298 PolarHBondContact O-N 3.34Å; P296-R298 VanDerWaalsContact O-N 3.1Å; R298-S300 VanDerWaalsContact C-N 3.29Å; R298-S300 PolarHBondContact O-N 3.43Å; R298-R304 HydrophobicContact CG-CG 4.45Å
299N86.1Confident87Confident100 Ų10061.3 Ų61.354%0.53532%0.321SS..G310 helixtrans-75.9-9.4-173.7-68.218.7000114.5T279 P296 Y297T279-N299 HydrophobicContact CG2-CB 3.56Å; P296-N299 PolarHBondContact O-N 3.34Å; Y297-N299 PolarHBondContact O-N 3.4Å
300S91.6Very high87.5Confident2 Ų257 Ų571%0.01430%0.298CS..SBendtrans-146.8148.5170167.70000110.5E155 S276 R298 L302 T303 R304E155-S300 WeakPolarHBondContact OE1-CB 3.41Å; E155-S300 PolarHBondContact OE1-OG 2.8Å; E155-S300 WeakPolarHBondContact OE2-CA 3.24Å; E155-S300 PolarHBondContact OE2-OG 2.81Å; S276-S300 WeakPolarHBondContact CB-OG 3.49Å; R298-S300 VanDerWaalsContact C-N 3.29Å; R298-S300 PolarHBondContact O-N 3.43Å; S300-L302 PolarHBondContact O-N 3.5Å; S300-L302 PolarHBondContact OG-N 3.31Å; S300-L302 VanDerWaalsContact OG-N 3.17Å; S300-T303 PolarHBondContact N-OG1 2.96Å; S300-T303 PolarHBondContact O-N 3.18Å; S300-T303 PolarHBondContact O-OG1 2.93Å; S300-T303 VanDerWaalsContact O-OG1 3.08Å; S300-R304 PolarHBondContact O-N 3.27Å
301K91.5Very high88.3Confident81 Ų8155.1 Ų55.135%0.35228%0.278SS..Hα-helixtrans-59.7-34.4172.6-52.6-47179-172.80111.5I152 E155 V157 V171 R304 L305I152-K301 HydrophobicContact CG2-CB 4.42Å; E155-K301 WeakPolarHBondContact O-CG 3.27Å; E155-K301 WeakPolarHBondContact OE2-CG 3.49Å; E155-K301 PolarHBondContact OE2-N 3.46Å; V157-K301 HydrophobicContact CG2-CB 4.16Å; V157-K301 HydrophobicContact CG2-CG 4.35Å; V171-K301 HydrophobicContact CG2-CB 4.26Å; V171-K301 HydrophobicContact CG2-CD 4.25Å; V171-K301 HydrophobicContact CG2-CG 4.49Å; K301-R304 PolarHBondContact O-N 2.88Å; K301-L305 WeakPolarHBondContact O-CD1 3.43Å; K301-L305 VanDerWaalsContact O-CG 3.29Å; K301-L305 WeakPolarHBondContact O-CG 3.43Å; K301-L305 PolarHBondContact O-N 2.92Å; K301-L305 VanDerWaalsContact O-N 3.11Å
302L92.9Very high88.9Confident0 Ų047.4 Ų47.40%025%0.249CC..Hα-helixtrans-60.7-49.2177.3177.967.2000111.3I152 H221 I223 L251 L277 L280 S300 R304 L305 L306I152-L302 HydrophobicContact CD1-CB 4.12Å; I152-L302 HydrophobicContact CD1-CD1 4Å; H221-L302 HydrophobicContact CB-CD1 4.29Å; I223-L302 HydrophobicContact CD1-CD1 4.35Å; L251-L302 HydrophobicContact CD2-CD1 3.9Å; L251-L302 HydrophobicContact CD2-CD2 3.97Å; L277-L302 HydrophobicContact CD2-CD2 4.33Å; L280-L302 HydrophobicContact CD2-CD2 4.3Å; S300-L302 PolarHBondContact O-N 3.5Å; S300-L302 PolarHBondContact OG-N 3.31Å; S300-L302 VanDerWaalsContact OG-N 3.17Å; L302-R304 PolarHBondContact O-N 2.9Å; L302-L305 PolarHBondContact O-N 3.22Å; L302-L306 HydrophobicContact CD1-CD1 3.72Å; L302-L306 HydrophobicContact CD1-CG 4.29Å; L302-L306 HydrophobicContact CG-CD1 4.18Å; L302-L306 PolarHBondContact O-N 3.14Å
303T92.9Very high89.7Confident1 Ų146.8 Ų46.81%0.00624%0.242CC..Hα-helixtrans-73.4-23.8-177.844.50000113.9T279 L280 V283 Y297 S300 Q307T279-T303 HydrophobicContact CG2-CG2 3.91Å; T279-T303 WeakPolarHBondContact CG2-OG1 3.45Å; L280-T303 HydrophobicContact CB-CG2 3.98Å; L280-T303 HydrophobicContact CD1-CG2 3.69Å; L280-T303 HydrophobicContact CG-CG2 4.47Å; V283-T303 HydrophobicContact CB-CG2 4.48Å; V283-T303 HydrophobicContact CG2-CG2 3.96Å; Y297-T303 CarbonylContact O-C 3.57Å; Y297-T303 WeakPolarHBondContact O-CB 3.32Å; Y297-T303 PolarHBondContact O-OG1 3.04Å; S300-T303 PolarHBondContact N-OG1 2.96Å; S300-T303 PolarHBondContact O-N 3.18Å; S300-T303 PolarHBondContact O-OG1 2.93Å; S300-T303 VanDerWaalsContact O-OG1 3.08Å; T303-Q307 PolarHBondContact O-N 3.47Å
304R92.3Very high90.5Very high37 Ų3739.4 Ų39.414%0.1420%0.196CC..Hα-helixtrans-68.9-42.1167.2-67.4-170.474.4-160.72.8111.9V171 E173 V179 Y297 R298 S300 K301 L302 L306 Q307V171-R304 HydrophobicContact CG1-CB 4.17Å; V171-R304 PolarHBondContact O-NH1 3.4Å; E173-R304 IonicContact OE2-CZ 3.72Å; E173-R304 IonicContact OE2-NE 2.66Å; E173-R304 IonicContact OE2-NH2 2.67Å; E173-R304 PolarHBondContact OE2-NH2 3.38Å; V179-R304 HydrophobicContact CG1-CB 4.3Å; V179-R304 WeakPolarHBondContact CG1-O 3.23Å; Y297-R304 VanDerWaalsContact O-CG 3.28Å; Y297-R304 WeakPolarHBondContact O-CG 3.13Å; Y297-R304 PolarHBondContact O-N 3.13Å; R298-R304 HydrophobicContact CG-CG 4.45Å; S300-R304 PolarHBondContact O-N 3.27Å; K301-R304 PolarHBondContact O-N 2.88Å; L302-R304 PolarHBondContact O-N 2.9Å; R304-L306 VanDerWaalsContact C-N 3.34Å; R304-Q307 VanDerWaalsContact O-CB 3.23Å; R304-Q307 WeakPolarHBondContact O-CB 3.34Å; R304-Q307 PolarHBondContact O-N 2.64Å
305L92.1Very high91Very high26 Ų2634 Ų3414%0.13617%0.171CC..Hα-helixtrans-73.8-26.1-178.6-67.8166.7000113I152 V157 V171 V179 I181 K301 L302I152-L305 HydrophobicContact CD1-CD1 3.73Å; V157-L305 HydrophobicContact CG2-CD1 4.48Å; V171-L305 HydrophobicContact CG1-CD2 4.1Å; V171-L305 HydrophobicContact CG1-CG 4.38Å; V171-L305 HydrophobicContact CG2-CD1 4.23Å; V171-L305 HydrophobicContact CG2-CD2 4.33Å; V171-L305 HydrophobicContact CG2-CG 4.32Å; V179-L305 HydrophobicContact CG1-CD2 4.2Å; I181-L305 HydrophobicContact CD1-CD1 3.98Å; I181-L305 HydrophobicContact CD1-CD2 3.73Å; I181-L305 HydrophobicContact CG1-CD1 4.46Å; I181-L305 HydrophobicContact CG1-CD2 3.64Å; K301-L305 WeakPolarHBondContact O-CD1 3.43Å; K301-L305 VanDerWaalsContact O-CG 3.29Å; K301-L305 WeakPolarHBondContact O-CG 3.43Å; K301-L305 PolarHBondContact O-N 2.92Å; K301-L305 VanDerWaalsContact O-N 3.11Å; L302-L305 PolarHBondContact O-N 3.22Å
306L92.4Very high91.4Very high3 Ų333 Ų332%0.01617%0.165CC..THydrogen-bonded Turntrans-100.419.4174.1-58.2-178.6000113T95 V249 L280 L302 R304 S309 L310T95-L306 HydrophobicContact CG2-CD2 4.31Å; V249-L306 HydrophobicContact CG2-CD2 4.17Å; L280-L306 HydrophobicContact CD1-CD1 4.48Å; L302-L306 HydrophobicContact CD1-CD1 3.72Å; L302-L306 HydrophobicContact CD1-CG 4.29Å; L302-L306 HydrophobicContact CG-CD1 4.18Å; L302-L306 PolarHBondContact O-N 3.14Å; R304-L306 VanDerWaalsContact C-N 3.34Å; L306-S309 WeakPolarHBondContact O-CB 3.34Å; L306-S309 PolarHBondContact O-N 3.16Å; L306-L310 PolarHBondContact O-N 2.79Å
307Q91.6Very high91.6Very high45 Ų4532 Ų3221%0.2116%0.159CC..THydrogen-bonded Turntrans-63.9-43.5179.4-177.4173.3-57.700111.6Y297 T303 R304 S309 L310Y297-Q307 HydrophobicContact CD1-CB 4.07Å; Y297-Q307 HydrophobicContact CD1-CG 3.92Å; Y297-Q307 HydrophobicContact CD2-CG 3.82Å; Y297-Q307 HydrophobicContact CE1-CB 4.47Å; Y297-Q307 HydrophobicContact CE1-CG 4.15Å; Y297-Q307 HydrophobicContact CE2-CG 4.03Å; Y297-Q307 HydrophobicContact CG-CB 4.23Å; Y297-Q307 HydrophobicContact CG-CG 3.76Å; T303-Q307 PolarHBondContact O-N 3.47Å; R304-Q307 VanDerWaalsContact O-CB 3.23Å; R304-Q307 WeakPolarHBondContact O-CB 3.34Å; R304-Q307 PolarHBondContact O-N 2.64Å; Q307-S309 VanDerWaalsContact C-N 3.26Å; Q307-S309 PolarHBondContact O-N 2.87Å; Q307-L310 PolarHBondContact O-N 2.86Å
308D89.2Confident91.9Very high49 Ų4930.4 Ų30.426%0.26215%0.152SC..THydrogen-bonded Turntrans-69.2-28.1174.8-62.4-35.8000111.9L310 G312 N313 S314D308-L310 PolarHBondContact O-N 3.49Å; D308-G312 CarbonylContact O-C 3.58Å; D308-G312 VanDerWaalsContact O-CA 3.3Å; D308-G312 WeakPolarHBondContact O-CA 3.36Å; D308-N313 CarbonylContact O-C 3.54Å; D308-N313 PolarHBondContact O-N 2.9Å; D308-S314 VanDerWaalsContact O-CB 3.28Å; D308-S314 WeakPolarHBondContact O-CB 3.47Å; D308-S314 PolarHBondContact O-N 2.67Å
309S92Very high92.3Very high3 Ų322.6 Ų22.62%0.02112%0.123CC..THydrogen-bonded Turntrans-70.7-25.3179.8-49.60000113.9T95 L306 Q307 T316 N347T95-S309 WeakPolarHBondContact CG2-OG 3.47Å; T95-S309 WeakPolarHBondContact OG1-CB 3.38Å; T95-S309 PolarHBondContact OG1-OG 2.91Å; L306-S309 WeakPolarHBondContact O-CB 3.34Å; L306-S309 PolarHBondContact O-N 3.16Å; Q307-S309 VanDerWaalsContact C-N 3.26Å; Q307-S309 PolarHBondContact O-N 2.87Å; S309-T316 VanDerWaalsContact O-CB 3.27Å; S309-T316 WeakPolarHBondContact O-CB 3.37Å; S309-T316 WeakPolarHBondContact O-CG2 3.49Å; S309-T316 PolarHBondContact O-OG1 2.85Å; S309-N347 PolarHBondContact O-ND2 2.89Å
310L91.4Very high92.8Very high3 Ų317.9 Ų17.92%0.01610%0.097CC..SBendtrans-12899.7-172-62.6175.4000109.7F97 L280 V283 I284 L287 Y297 L306 Q307 D308 G312 I345F97-L310 HydrophobicContact CE1-CD2 4.33Å; F97-L310 HydrophobicContact CZ-CD2 4.49Å; L280-L310 HydrophobicContact CD1-CD1 3.56Å; V283-L310 HydrophobicContact CG1-CD1 4.22Å; I284-L310 HydrophobicContact CG1-CD1 4.42Å; L287-L310 HydrophobicContact CD1-CB 4.01Å; Y297-L310 PolarHBondContact OH-O 3.12Å; L306-L310 PolarHBondContact O-N 2.79Å; Q307-L310 PolarHBondContact O-N 2.86Å; D308-L310 PolarHBondContact O-N 3.49Å; L310-G312 VanDerWaalsContact C-N 3.28Å; L310-G312 PolarHBondContact O-N 3.26Å; L310-I345 HydrophobicContact CD2-CD1 4.03Å
311G86.6Confident93.1Very high28 Ų2817.8 Ų17.829%0.28910%0.097SC..SBendtrans81.9-2.2-175.600000115.1N347G311-N347 WeakPolarHBondContact CA-OD1 3.46Å; G311-N347 PolarHBondContact N-OD1 3.48Å
312G89.9Confident93.3Very high18 Ų1814 Ų1419%0.1868%0.08CC..SBendtrans-107.8-154.7-177.300000114.9D308 L310 S314 K348D308-G312 CarbonylContact O-C 3.58Å; D308-G312 VanDerWaalsContact O-CA 3.3Å; D308-G312 WeakPolarHBondContact O-CA 3.36Å; L310-G312 VanDerWaalsContact C-N 3.28Å; L310-G312 PolarHBondContact O-N 3.26Å; G312-S314 PolarHBondContact O-N 3.22Å; G312-K348 PolarHBondContact O-N 3.33Å
313N91.3Very high93.4Very high42 Ų4214 Ų1423%0.2258%0.08CC..SBendtrans-86.681.3177.7177.620.1000111.4N93 D308 A349 R350 N352N93-N313 VanDerWaalsContact CB-O 3.24Å; N93-N313 WeakPolarHBondContact CB-O 3.49Å; N93-N313 PolarHBondContact ND2-ND2 2.93Å; N93-N313 PolarHBondContact ND2-O 2.86Å; D308-N313 CarbonylContact O-C 3.54Å; D308-N313 PolarHBondContact O-N 2.9Å; N313-A349 WeakPolarHBondContact OD1-CA 3.33Å; N313-R350 PolarHBondContact OD1-N 3.35Å; N313-R350 PolarHBondContact OD1-O 3.2Å; N313-N352 PolarHBondContact ND2-OD1 3.05Å
314S93.3Very high93.5Very high1 Ų114 Ų141%0.0078%0.08CC..SBendtrans-161.9142.3171.3172.40000111.7N93 T95 D308 G312 T316 N347N93-S314 WeakPolarHBondContact O-CA 3.36Å; T95-S314 PolarHBondContact N-OG 3.34Å; T95-S314 PolarHBondContact OG1-OG 3.35Å; T95-S314 VanDerWaalsContact OG1-OG 3.05Å; D308-S314 VanDerWaalsContact O-CB 3.28Å; D308-S314 WeakPolarHBondContact O-CB 3.47Å; D308-S314 PolarHBondContact O-N 2.67Å; G312-S314 PolarHBondContact O-N 3.22Å; S314-T316 PolarHBondContact O-N 3.45Å; S314-T316 PolarHBondContact OG-OG1 3.35Å; S314-T316 VanDerWaalsContact OG-OG1 3.05Å; S314-N347 VanDerWaalsContact O-CB 3.31Å; S314-N347 WeakPolarHBondContact O-CB 3.47Å; S314-N347 PolarHBondContact O-ND2 3.44Å
315K95.3Very high93.5Very high30 Ų3012.2 Ų12.213%0.137%0.074CC..EExtended strand (participates in β ladder)trans-80.9109162.5-72174.6175.5168.70108.6D13 I84 S87 E90 Y92 N93 G94 T95 A349D13-K315 WeakPolarHBondContact OD2-CE 3.44Å; D13-K315 WeakPolarHBondContact OD2-CG 3.24Å; I84-K315 HydrophobicContact CD1-CB 4.06Å; S87-K315 VanDerWaalsContact CB-CD 3.45Å; S87-K315 VanDerWaalsContact OG-CD 3.23Å; S87-K315 WeakPolarHBondContact OG-CD 3.48Å; S87-K315 PolarHBondContact OG-NZ 3.45Å; E90-K315 IonicContact OE2-NZ 2.74Å; Y92-K315 HydrophobicContact CD1-CD 4.3Å; Y92-K315 VanDerWaalsContact CD2-NZ 3.31Å; Y92-K315 HydrophobicContact CG-CD 4.17Å; N93-K315 PolarHBondContact O-N 2.81Å; G94-K315 VanDerWaalsContact CA-O 3.31Å; G94-K315 WeakPolarHBondContact CA-O 3.11Å; T95-K315 PolarHBondContact N-O 2.66Å; K315-A349 HydrophobicContact CG-CB 3.58Å
316T96.1Very high93.4Very high5 Ų512.3 Ų12.33%0.0317%0.074CC..EExtended strand (participates in β ladder)trans-115.1136.8-169.2-61.30000112.4V15 K16 T95 F97 S309 S314 N347V15-T316 HydrophobicContact CG1-CG2 4.05Å; V15-T316 HydrophobicContact CG2-CG2 4.44Å; K16-T316 PolarHBondContact N-O 2.97Å; T95-T316 HydrophobicContact CG2-CG2 4.29Å; T95-T316 CarbonylContact O-C 3.52Å; T95-T316 WeakPolarHBondContact O-CA 3.35Å; F97-T316 HydrophobicContact CD1-CG2 4.08Å; F97-T316 HydrophobicContact CE1-CG2 3.73Å; S309-T316 VanDerWaalsContact O-CB 3.27Å; S309-T316 WeakPolarHBondContact O-CB 3.37Å; S309-T316 WeakPolarHBondContact O-CG2 3.49Å; S309-T316 PolarHBondContact O-OG1 2.85Å; S314-T316 PolarHBondContact O-N 3.45Å; S314-T316 PolarHBondContact OG-OG1 3.35Å; S314-T316 VanDerWaalsContact OG-OG1 3.05Å; T316-N347 PolarHBondContact OG1-ND2 3.11Å
317M95.9Very high93.2Very high1 Ų118.1 Ų18.11%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-124.6129.1173.5-176.5-88.7-77.800110.9K16 V18 T80 A81 I84 T95 I96 F97 I122 C319K16-M317 HydrophobicContact CB-CB 4.45Å; K16-M317 HydrophobicContact CB-CG 4.35Å; K16-M317 CarbonylContact O-C 3.54Å; K16-M317 VanDerWaalsContact O-CA 3.31Å; K16-M317 WeakPolarHBondContact O-CA 3.48Å; V18-M317 HydrophobicContact CG2-CG 4.43Å; V18-M317 HydrophobicContact CG2-SD 3.67Å; T80-M317 WeakPolarHBondContact OG1-CE 3.3Å; A81-M317 HydrophobicContact CB-CE 4.49Å; I84-M317 HydrophobicContact CG1-CB 4.26Å; T95-M317 PolarHBondContact O-N 2.94Å; I96-M317 WeakPolarHBondContact CA-O 3.32Å; I96-M317 HydrophobicContact CB-CE 4.31Å; I96-M317 HydrophobicContact CD1-CE 4.16Å; I96-M317 HydrophobicContact CG1-CE 4.06Å; I96-M317 HydrophobicContact CG2-CE 3.45Å; I96-M317 VanDerWaalsContact CG2-CE 3.45Å; I96-M317 HydrophobicContact CG2-SD 4.22Å; F97-M317 PolarHBondContact N-O 3.18Å; I122-M317 HydrophobicContact CD1-CE 4.3Å; M317-C319 HydrophobicContact SD-CB 4.18Å
318M96.8Very high93Very high0 Ų016.6 Ų16.60%09%0.09CC..EExtended strand (participates in β ladder)trans-102.4123.1172.4177-177.2178.200109.5K16 V17 V18 F97 Y99 A320 Y338 A339 A342K16-M318 PolarHBondContact O-N 2.93Å; V17-M318 HydrophobicContact CG2-CB 4.3Å; V18-M318 PolarHBondContact N-O 3.02Å; F97-M318 HydrophobicContact CD1-CB 4.49Å; F97-M318 HydrophobicContact CD2-CG 4.16Å; F97-M318 HydrophobicContact CE1-CB 3.86Å; F97-M318 HydrophobicContact CE1-CG 4.4Å; F97-M318 HydrophobicContact CE2-CB 3.9Å; F97-M318 HydrophobicContact CE2-CE 4.44Å; F97-M318 HydrophobicContact CE2-CG 3.49Å; F97-M318 VanDerWaalsContact CE2-CG 3.49Å; F97-M318 HydrophobicContact CE2-SD 4Å; F97-M318 HydrophobicContact CZ-CB 3.54Å; F97-M318 HydrophobicContact CZ-CG 3.64Å; F97-M318 HydrophobicContact CZ-SD 4.06Å; Y99-M318 HydrophobicContact CD1-CE 3.41Å; Y99-M318 VanDerWaalsContact CD1-CE 3.41Å; Y99-M318 HydrophobicContact CE1-CE 4.27Å; Y99-M318 HydrophobicContact CG-CE 3.7Å; M318-A320 HydrophobicContact CE-CB 4.06Å; M318-Y338 HydrophobicContact CE-CD1 3.71Å; M318-Y338 HydrophobicContact CE-CE1 4.23Å; M318-Y338 HydrophobicContact SD-CD1 4.47Å; M318-A339 HydrophobicContact CE-CB 3.98Å; M318-A339 HydrophobicContact SD-CB 4.25Å; M318-A342 HydrophobicContact SD-CB 3.64Å
319C97.2Very high93.1Very high0 Ų015.2 Ų15.20%08%0.082CC..EExtended strand (participates in β ladder)trans-99110166.3-169.10000109.9V18 F97 A98 Y99 M317V18-C319 HydrophobicContact CG2-CB 4.07Å; V18-C319 CarbonylContact O-C 3.59Å; V18-C319 WeakPolarHBondContact O-CA 3.47Å; F97-C319 PolarHBondContact O-N 2.9Å; A98-C319 CarbonylContact C-O 3.55Å; A98-C319 WeakPolarHBondContact CA-O 3.49Å; Y99-C319 PolarHBondContact N-O 3.48Å; M317-C319 HydrophobicContact SD-CB 4.18Å
320A97.6Very high92.9Very high0 Ų018.1 Ų18.10%010%0.097CC..EExtended strand (participates in β ladder)trans-90.1112.4174.600000110.1V18 V19 R20 Y99 M318 T335 A339V18-A320 PolarHBondContact O-N 2.99Å; V19-A320 CarbonylContact C-O 3.56Å; V19-A320 WeakPolarHBondContact CA-O 3.27Å; V19-A320 HydrophobicContact CB-CB 4.49Å; V19-A320 HydrophobicContact CG1-CB 4.21Å; V19-A320 WeakPolarHBondContact CG1-O 2.89Å; V19-A320 HydrophobicContact CG2-CB 4.09Å; R20-A320 PolarHBondContact N-O 2.83Å; Y99-A320 CarbonylContact O-C 3.58Å; Y99-A320 WeakPolarHBondContact O-CA 3.49Å; M318-A320 HydrophobicContact CE-CB 4.06Å; A320-T335 HydrophobicContact CB-CG2 4.07Å; A320-A339 HydrophobicContact CB-CB 3.89Å
321N97Very high92.8Very high1 Ų118.3 Ų18.31%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-94.7121.5179.5-65.7109.1000110.7R20 Y99 T104 K106 T109R20-N321 WeakPolarHBondContact O-CA 3.31Å; Y99-N321 PolarHBondContact O-N 2.83Å; T104-N321 WeakPolarHBondContact CB-O 3.46Å; T104-N321 VanDerWaalsContact OG1-CB 3.25Å; T104-N321 WeakPolarHBondContact OG1-CB 3.27Å; T104-N321 PolarHBondContact OG1-O 2.91Å; K106-N321 WeakPolarHBondContact CA-OD1 3.38Å; K106-N321 HydrophobicContact CG-CB 4.18Å; T109-N321 PolarHBondContact OG1-ND2 3.31Å
322I96.8Very high93.1Very high0 Ų017.1 Ų17.10%09%0.085CC..EExtended strand (participates in β ladder)trans-120.6154.1-178.163.3174.5000112.6V19 R20 C21 R22 V37 I46 T332 T335 L336V19-I322 HydrophobicContact CG1-CD1 4.01Å; V19-I322 HydrophobicContact CG1-CG1 4.24Å; V19-I322 HydrophobicContact CG1-CG2 4.33Å; R20-I322 PolarHBondContact O-N 2.86Å; C21-I322 HydrophobicContact CB-CD1 4.1Å; C21-I322 HydrophobicContact CB-CG1 3.85Å; R22-I322 PolarHBondContact N-O 3.46Å; V37-I322 HydrophobicContact CG1-CD1 3.9Å; I46-I322 HydrophobicContact CD1-CD1 4.08Å; I46-I322 HydrophobicContact CG2-CD1 4.14Å; I322-T332 HydrophobicContact CB-CG2 4.1Å; I322-T332 HydrophobicContact CD1-CG2 4.18Å; I322-T332 HydrophobicContact CG2-CG2 4.2Å; I322-T335 HydrophobicContact CG2-CG2 3.74Å; I322-L336 HydrophobicContact CD1-CD2 4.39Å; I322-L336 HydrophobicContact CG2-CG 4.47Å
323G93.9Very high93.2Very high0 Ų016.7 Ų16.70%08%0.078CC..  trans-96.4142.6173.300000111.4T332G323-T332 PolarHBondContact O-OG1 2.6Å
324P94.2Very high93.2Very high1 Ų115.7 Ų15.71%0.0067%0.074CC..  trans-79.1-17.7-178.831.7-36.8000114R22 L24 Q35 A36R22-P324 VanDerWaalsContact O-CD 3.28Å; R22-P324 WeakPolarHBondContact O-CD 3.43Å; R22-P324 VanDerWaalsContact O-CG 3.27Å; R22-P324 WeakPolarHBondContact O-CG 3.31Å; L24-P324 HydrophobicContact CB-CG 4.41Å; L24-P324 HydrophobicContact CD2-CB 4.47Å; L24-P324 HydrophobicContact CD2-CG 3.82Å; L24-P324 HydrophobicContact CG-CB 4.37Å; L24-P324 HydrophobicContact CG-CG 3.77Å; Q35-P324 CarbonylContact C-O 3.18Å; Q35-P324 WeakPolarHBondContact CA-O 3.39Å; Q35-P324 HydrophobicContact CG-CB 4.3Å; A36-P324 PolarHBondContact N-O 2.64Å
325A92.9Very high93.2Very high1 Ų115.8 Ų15.81%0.0088%0.075CC..BIsolated β-bridgetrans-74.6138.2-172.600000113.4L24 E28 K34 Y327 N328L24-A325 HydrophobicContact CD2-CB 3.87Å; E28-A325 HydrophobicContact CB-CB 4.34Å; E28-A325 HydrophobicContact CG-CB 3.93Å; K34-A325 CarbonylContact O-C 3.55Å; K34-A325 WeakPolarHBondContact O-CA 3.42Å; A325-Y327 VanDerWaalsContact C-N 3.32Å; A325-Y327 PolarHBondContact O-N 3.2Å; A325-N328 PolarHBondContact O-N 3.34Å
326D90.4Very high93.3Very high27 Ų2714.3 Ų14.314%0.1447%0.069CC..G310 helixtrans-60.2-33.9-179.958.6-12.7000114.5Y33 K34 A36 T51 N328 Y329Y33-D326 WeakPolarHBondContact CB-OD1 3.09Å; K34-D326 WeakPolarHBondContact CB-OD2 3.47Å; K34-D326 PolarHBondContact N-OD1 3.28Å; K34-D326 PolarHBondContact O-N 3.15Å; A36-D326 HydrophobicContact CB-CB 3.89Å; T51-D326 HydrophobicContact CG2-CB 4.08Å; T51-D326 VanDerWaalsContact OG1-CB 3.27Å; T51-D326 WeakPolarHBondContact OG1-CB 3.47Å; T51-D326 PolarHBondContact OG1-OD2 3.13Å; D326-N328 PolarHBondContact O-N 3.14Å; D326-Y329 VanDerWaalsContact O-CB 3.24Å; D326-Y329 WeakPolarHBondContact O-CB 3.26Å; D326-Y329 PolarHBondContact O-N 3.41Å
327Y87.9Confident93.1Very high126 Ų12615.4 Ų15.449%0.4947%0.072SC..G310 helixtrans-51.8-25.7170.2178.5-99.5000114.6Y33 K259 A325Y33-Y327 HydrophobicContact CE1-CD2 4.14Å; Y33-Y327 HydrophobicContact CE1-CG 4.15Å; Y33-Y327 HydrophobicContact CE2-CD1 4.4Å; Y33-Y327 HydrophobicContact CE2-CG 4.05Å; Y33-Y327 AromaticContact CZ-CD2 3.91Å; Y33-Y327 AromaticContact CZ-CG 3.78Å; K259-Y327 PolarHBondContact NZ-O 2.94Å; A325-Y327 VanDerWaalsContact C-N 3.32Å; A325-Y327 PolarHBondContact O-N 3.2Å
328N88.4Confident92.9Very high12 Ų1215.9 Ų15.96%0.0647%0.074CC..G310 helixtrans-1008.5179.5-67.3-46000113.9Q101 A325 D326 D330 E331 T332Q101-N328 PolarHBondContact NE2-OD1 3.44Å; Q101-N328 VanDerWaalsContact OE1-CG 3.28Å; Q101-N328 PolarHBondContact OE1-OD1 3.47Å; A325-N328 PolarHBondContact O-N 3.34Å; D326-N328 PolarHBondContact O-N 3.14Å; N328-D330 PolarHBondContact O-N 3.32Å; N328-E331 PolarHBondContact O-N 3.26Å; N328-T332 PolarHBondContact O-N 3.47Å
329Y89.9Confident92.8Very high21 Ų2115.9 Ų15.98%0.0827%0.074CC..Hα-helixtrans-43.6-55.6-177.6177.9-86.8000113.5V48 H49 K50 K59 D326 E331 T332 I333V48-Y329 HydrophobicContact CB-CE2 4.45Å; V48-Y329 HydrophobicContact CG1-CD2 3.59Å; V48-Y329 HydrophobicContact CG1-CE2 3.64Å; H49-Y329 WeakPolarHBondContact O-CD2 3.33Å; K50-Y329 HydrophobicContact CB-CD2 4.34Å; K50-Y329 HydrophobicContact CB-CE2 3.73Å; K50-Y329 HydrophobicContact CD-CE1 4.26Å; K50-Y329 HydrophobicContact CG-CE1 4.42Å; K50-Y329 HydrophobicContact CG-CE2 4.23Å; K59-Y329 WeakPolarHBondContact CD-OH 3.39Å; K59-Y329 WeakPolarHBondContact CE-OH 3.48Å; K59-Y329 PolarHBondContact NZ-OH 2.86Å; K59-Y329 VanDerWaalsContact NZ-OH 3.08Å; D326-Y329 VanDerWaalsContact O-CB 3.24Å; D326-Y329 WeakPolarHBondContact O-CB 3.26Å; D326-Y329 PolarHBondContact O-N 3.41Å; Y329-E331 VanDerWaalsContact C-N 3.33Å; Y329-E331 PolarHBondContact O-N 3.43Å; Y329-T332 PolarHBondContact O-N 3.02Å; Y329-I333 HydrophobicContact CD1-CG1 4.14Å; Y329-I333 HydrophobicContact CE1-CG1 3.77Å; Y329-I333 HydrophobicContact CE2-CD1 4.41Å; Y329-I333 HydrophobicContact CE2-CG1 4.18Å; Y329-I333 HydrophobicContact CG-CG1 4.47Å; Y329-I333 WeakPolarHBondContact O-CB 3.4Å; Y329-I333 WeakPolarHBondContact O-CG1 3.45Å; Y329-I333 PolarHBondContact O-N 3.28Å
330D87.9Confident92.6Very high64 Ų6418.9 Ų18.934%0.3429%0.09SC..Hα-helixtrans-59.3-39-178.5-85.617.3000113.3N328 S334 R595N328-D330 PolarHBondContact O-N 3.32Å; D330-S334 WeakPolarHBondContact O-CB 3.44Å; D330-S334 PolarHBondContact O-N 3.22Å; D330-R595 IonicContact OD2-CZ 3.4Å; D330-R595 IonicContact OD2-NH1 3.16Å; D330-R595 PolarHBondContact OD2-NH1 2.86Å; D330-R595 IonicContact OD2-NH2 2.76Å; D330-R595 PolarHBondContact OD2-NH2 2.94Å
331E89Confident92.4Very high7 Ų722.9 Ų22.93%0.03311%0.105CC..Hα-helixtrans-77-37-178.8-52.3-65.6167.100110.8Q101 K259 N328 Y329 T335Q101-E331 HydrophobicContact CB-CB 4.36Å; Q101-E331 HydrophobicContact CG-CB 4.45Å; K259-E331 HydrophobicContact CD-CG 4.18Å; K259-E331 VanDerWaalsContact CD-OE1 3.3Å; K259-E331 WeakPolarHBondContact CD-OE1 3.46Å; K259-E331 WeakPolarHBondContact CE-OE1 3.46Å; K259-E331 IonicContact NZ-OE1 3.68Å; N328-E331 PolarHBondContact O-N 3.26Å; Y329-E331 VanDerWaalsContact C-N 3.33Å; Y329-E331 PolarHBondContact O-N 3.43Å; E331-T335 VanDerWaalsContact O-CB 3.25Å; E331-T335 WeakPolarHBondContact O-CB 3.33Å; E331-T335 PolarHBondContact O-N 3.35Å; E331-T335 PolarHBondContact O-OG1 3.48Å
332T93.2Very high92.2Very high3 Ų322.8 Ų22.82%0.01811%0.105CC..Hα-helixtrans-63.6-44.7171.7-74.10000110.9V37 V48 I322 G323 N328 Y329 T335 L336V37-T332 HydrophobicContact CG2-CG2 4.03Å; V48-T332 HydrophobicContact CG1-CG2 4.44Å; V48-T332 HydrophobicContact CG2-CG2 4.12Å; I322-T332 HydrophobicContact CB-CG2 4.1Å; I322-T332 HydrophobicContact CD1-CG2 4.18Å; I322-T332 HydrophobicContact CG2-CG2 4.2Å; G323-T332 PolarHBondContact O-OG1 2.6Å; N328-T332 PolarHBondContact O-N 3.47Å; Y329-T332 PolarHBondContact O-N 3.02Å; T332-T335 PolarHBondContact O-N 3.04Å; T332-L336 HydrophobicContact CG2-CD1 3.76Å; T332-L336 HydrophobicContact CG2-CG 4.46Å; T332-L336 WeakPolarHBondContact O-CB 3.28Å; T332-L336 WeakPolarHBondContact O-CD1 3.25Å; T332-L336 WeakPolarHBondContact O-CG 3.32Å; T332-L336 PolarHBondContact O-N 3.16Å
333I92.2Very high92Very high9 Ų924.9 Ų24.95%0.04611%0.114CC..Hα-helixtrans-62.5-47.1175.1-70.2-65.1000111.4V48 K59 F61 Y329 T335 L336 R337V48-I333 HydrophobicContact CB-CD1 3.86Å; V48-I333 HydrophobicContact CG1-CD1 4.07Å; V48-I333 HydrophobicContact CG1-CG1 4.46Å; V48-I333 HydrophobicContact CG2-CD1 4.1Å; K59-I333 HydrophobicContact CB-CD1 4.13Å; K59-I333 HydrophobicContact CD-CD1 4.04Å; F61-I333 HydrophobicContact CE2-CD1 4.02Å; F61-I333 HydrophobicContact CZ-CD1 4.34Å; Y329-I333 HydrophobicContact CD1-CG1 4.14Å; Y329-I333 HydrophobicContact CE1-CG1 3.77Å; Y329-I333 HydrophobicContact CE2-CD1 4.41Å; Y329-I333 HydrophobicContact CE2-CG1 4.18Å; Y329-I333 HydrophobicContact CG-CG1 4.47Å; Y329-I333 WeakPolarHBondContact O-CB 3.4Å; Y329-I333 WeakPolarHBondContact O-CG1 3.45Å; Y329-I333 PolarHBondContact O-N 3.28Å; I333-T335 VanDerWaalsContact C-N 3.31Å; I333-T335 PolarHBondContact O-N 3.24Å; I333-L336 PolarHBondContact O-N 2.81Å; I333-R337 HydrophobicContact CG2-CG 4.49Å; I333-R337 WeakPolarHBondContact O-CG 3.46Å; I333-R337 PolarHBondContact O-N 2.93Å
334S91.1Very high91.9Very high20 Ų2029 Ų2914%0.1414%0.135CC..Hα-helixtrans-64.3-38179.1-152.90000111R256 D330 R337 Y338 E592R256-S334 PolarHBondContact NH2-OG 2.94Å; D330-S334 WeakPolarHBondContact O-CB 3.44Å; D330-S334 PolarHBondContact O-N 3.22Å; S334-R337 PolarHBondContact O-N 3Å; S334-Y338 VanDerWaalsContact O-CB 3.3Å; S334-Y338 WeakPolarHBondContact O-CB 3.31Å; S334-Y338 PolarHBondContact O-N 2.8Å; S334-E592 PolarHBondContact OG-OE1 3.32Å
335T94.4Very high91.8Very high3 Ų329 Ų292%0.01814%0.135CC..Hα-helixtrans-61.4-44.8172.4-59.80000112.4Y99 A320 I322 E331 T332 I333 Y338 A339Y99-T335 HydrophobicContact CD1-CG2 4.12Å; Y99-T335 HydrophobicContact CE1-CG2 4.2Å; A320-T335 HydrophobicContact CB-CG2 4.07Å; I322-T335 HydrophobicContact CG2-CG2 3.74Å; E331-T335 VanDerWaalsContact O-CB 3.25Å; E331-T335 WeakPolarHBondContact O-CB 3.33Å; E331-T335 PolarHBondContact O-N 3.35Å; E331-T335 PolarHBondContact O-OG1 3.48Å; T332-T335 PolarHBondContact O-N 3.04Å; I333-T335 VanDerWaalsContact C-N 3.31Å; I333-T335 PolarHBondContact O-N 3.24Å; T335-Y338 WeakPolarHBondContact O-CB 3.24Å; T335-Y338 PolarHBondContact O-N 2.64Å; T335-A339 WeakPolarHBondContact O-CB 3.31Å; T335-A339 PolarHBondContact O-N 2.97Å
336L95.6Very high91.7Very high0 Ų035.4 Ų35.40%016%0.163CC..Hα-helixtrans-68.4-39178.6-70.8165.4000112.4V19 I46 V48 F61 F63 I322 T332 I333 Y338 A339 N340V19-L336 HydrophobicContact CG1-CD2 3.89Å; V19-L336 HydrophobicContact CG2-CD2 4.49Å; I46-L336 HydrophobicContact CD1-CD2 4.36Å; I46-L336 HydrophobicContact CG2-CD1 4.11Å; I46-L336 HydrophobicContact CG2-CD2 4.24Å; V48-L336 HydrophobicContact CG2-CD1 3.41Å; V48-L336 VanDerWaalsContact CG2-CD1 3.41Å; F61-L336 HydrophobicContact CD1-CB 4.28Å; F61-L336 HydrophobicContact CD2-CB 4Å; F61-L336 HydrophobicContact CD2-CD1 3.89Å; F61-L336 HydrophobicContact CD2-CG 4.4Å; F61-L336 HydrophobicContact CE1-CB 4.21Å; F61-L336 HydrophobicContact CE2-CB 3.93Å; F61-L336 HydrophobicContact CE2-CD1 3.93Å; F61-L336 HydrophobicContact CG-CB 4.17Å; F61-L336 HydrophobicContact CZ-CB 4.04Å; F63-L336 HydrophobicContact CE2-CD2 3.58Å; F63-L336 HydrophobicContact CZ-CB 4.46Å; F63-L336 HydrophobicContact CZ-CD2 3.68Å; I322-L336 HydrophobicContact CD1-CD2 4.39Å; I322-L336 HydrophobicContact CG2-CG 4.47Å; T332-L336 HydrophobicContact CG2-CD1 3.76Å; T332-L336 HydrophobicContact CG2-CG 4.46Å; T332-L336 WeakPolarHBondContact O-CB 3.28Å; T332-L336 WeakPolarHBondContact O-CD1 3.25Å; T332-L336 WeakPolarHBondContact O-CG 3.32Å; T332-L336 PolarHBondContact O-N 3.16Å; I333-L336 PolarHBondContact O-N 2.81Å; L336-Y338 VanDerWaalsContact C-N 3.35Å; L336-A339 PolarHBondContact O-N 3.24Å; L336-N340 VanDerWaalsContact O-CB 3.25Å; L336-N340 WeakPolarHBondContact O-CB 3.47Å; L336-N340 PolarHBondContact O-N 2.99Å
337R92.5Very high91.7Very high27 Ų2734.1 Ų34.110%0.10216%0.156CC..Hα-helixtrans-62.7-40.5172.2-77-177.3170.7152.611.6112.6F61 I333 S334 N340 R341 D588 E592F61-R337 HydrophobicContact CE1-CG 4.23Å; F61-R337 HydrophobicContact CZ-CG 4.42Å; I333-R337 HydrophobicContact CG2-CG 4.49Å; I333-R337 WeakPolarHBondContact O-CG 3.46Å; I333-R337 PolarHBondContact O-N 2.93Å; S334-R337 PolarHBondContact O-N 3Å; R337-N340 PolarHBondContact O-N 2.88Å; R337-R341 PolarHBondContact O-N 3.22Å; R337-D588 IonicContact CZ-OD2 3.45Å; R337-D588 IonicContact NH2-OD2 3.13Å; R337-D588 PolarHBondContact NH2-OD2 3.37Å; R337-E592 WeakPolarHBondContact CD-OE2 3.46Å; R337-E592 IonicContact CZ-OE2 3.66Å; R337-E592 IonicContact NE-OE2 2.66Å; R337-E592 IonicContact NH1-OE2 3.84Å; R337-E592 PolarHBondContact NH1-OE2 3.11Å
338Y91.5Very high91.8Very high12 Ų1233.3 Ų33.35%0.04716%0.156CC..Hα-helixtrans-63.7-49.1176.8-164.6-77.5000110.9Y99 L280 G281 I284 M318 S334 T335 L336 N340 R341 A342Y99-Y338 HydrophobicContact CD1-CD1 4.08Å; Y99-Y338 HydrophobicContact CD1-CE1 4.46Å; Y99-Y338 HydrophobicContact CD2-CE1 4.23Å; Y99-Y338 AromaticContact CE1-CD1 3.7Å; Y99-Y338 HydrophobicContact CE1-CD1 3.7Å; Y99-Y338 HydrophobicContact CE1-CD2 4.25Å; Y99-Y338 HydrophobicContact CE1-CE1 4.2Å; Y99-Y338 AromaticContact CE1-CG 3.72Å; Y99-Y338 HydrophobicContact CE1-CG 3.72Å; Y99-Y338 HydrophobicContact CE2-CD1 4.28Å; Y99-Y338 AromaticContact CE2-CE1 3.94Å; Y99-Y338 HydrophobicContact CE2-CE1 3.94Å; Y99-Y338 HydrophobicContact CE2-CE2 4.21Å; Y99-Y338 AromaticContact CE2-CZ 3.9Å; Y99-Y338 HydrophobicContact CG-CE1 4.49Å; Y99-Y338 AromaticContact CZ-CD1 3.81Å; Y99-Y338 AromaticContact CZ-CD2 3.8Å; Y99-Y338 AromaticContact CZ-CE1 3.93Å; Y99-Y338 AromaticContact CZ-CE2 3.92Å; Y99-Y338 AromaticContact CZ-CG 3.73Å; Y99-Y338 AromaticContact CZ-CZ 3.98Å; Y99-Y338 WeakPolarHBondContact OH-CD2 3.45Å; L280-Y338 VanDerWaalsContact CB-OH 3.24Å; L280-Y338 WeakPolarHBondContact CB-OH 3.41Å; L280-Y338 WeakPolarHBondContact CD2-OH 3.42Å; L280-Y338 WeakPolarHBondContact CG-OH 3.42Å; G281-Y338 VanDerWaalsContact CA-CE2 3.47Å; G281-Y338 PolarHBondContact N-OH 3.31Å; G281-Y338 VanDerWaalsContact N-OH 3.1Å; I284-Y338 HydrophobicContact CD1-CD1 4.29Å; I284-Y338 HydrophobicContact CD1-CE1 3.48Å; I284-Y338 VanDerWaalsContact CD1-CE1 3.48Å; M318-Y338 HydrophobicContact CE-CD1 3.71Å; M318-Y338 HydrophobicContact CE-CE1 4.23Å; M318-Y338 HydrophobicContact SD-CD1 4.47Å; S334-Y338 VanDerWaalsContact O-CB 3.3Å; S334-Y338 WeakPolarHBondContact O-CB 3.31Å; S334-Y338 PolarHBondContact O-N 2.8Å; T335-Y338 WeakPolarHBondContact O-CB 3.24Å; T335-Y338 PolarHBondContact O-N 2.64Å; L336-Y338 VanDerWaalsContact C-N 3.35Å; Y338-N340 PolarHBondContact O-N 3.03Å; Y338-R341 PolarHBondContact O-N 2.94Å; Y338-A342 PolarHBondContact O-N 3.47Å
339A95.3Very high91.9Very high0 Ų033.6 Ų33.60%016%0.16CC..Hα-helixtrans-59.7-43.117500000112.2V17 F63 M318 A320 T335 L336 R341 A342 K343V17-A339 HydrophobicContact CG1-CB 3.72Å; F63-A339 HydrophobicContact CE1-CB 3.74Å; F63-A339 HydrophobicContact CZ-CB 4.29Å; M318-A339 HydrophobicContact CE-CB 3.98Å; M318-A339 HydrophobicContact SD-CB 4.25Å; A320-A339 HydrophobicContact CB-CB 3.89Å; T335-A339 WeakPolarHBondContact O-CB 3.31Å; T335-A339 PolarHBondContact O-N 2.97Å; L336-A339 PolarHBondContact O-N 3.24Å; A339-R341 VanDerWaalsContact C-N 3.34Å; A339-R341 PolarHBondContact O-N 2.8Å; A339-A342 PolarHBondContact O-N 3.44Å; A339-K343 PolarHBondContact O-N 3.19Å; A339-K343 VanDerWaalsContact O-N 3.14Å
340N93.6Very high91.8Very high63 Ų6339.3 Ų39.334%0.33718%0.181SC..Hα-helixtrans-67.1-32.2179.5-169.565.4000112.7F61 F63 L336 R337 Y338 N344F61-N340 HydrophobicContact CD1-CB 4.33Å; F63-N340 HydrophobicContact CE1-CB 4.23Å; L336-N340 VanDerWaalsContact O-CB 3.25Å; L336-N340 WeakPolarHBondContact O-CB 3.47Å; L336-N340 PolarHBondContact O-N 2.99Å; R337-N340 PolarHBondContact O-N 2.88Å; Y338-N340 PolarHBondContact O-N 3.03Å; N340-N344 PolarHBondContact O-ND2 2.81Å
341R91.9Very high91.9Very high83 Ų8338.5 Ų38.531%0.31318%0.176SC..Hα-helixtrans-65.4-54167.1-78.4-177-78.5-174.2-11.3110.7I284 S285 V288 R337 Y338 A339 K343 N344I284-R341 HydrophobicContact CG2-CB 3.83Å; S285-R341 PolarHBondContact OG-NH1 3.21Å; V288-R341 VanDerWaalsContact CG2-O 3.3Å; V288-R341 WeakPolarHBondContact CG2-O 2.84Å; R337-R341 PolarHBondContact O-N 3.22Å; Y338-R341 PolarHBondContact O-N 2.94Å; A339-R341 VanDerWaalsContact C-N 3.34Å; A339-R341 PolarHBondContact O-N 2.8Å; R341-K343 PolarHBondContact O-N 2.93Å; R341-N344 PolarHBondContact O-N 3.19Å
342A93.3Very high91.8Very high0 Ų040.2 Ų40.20%019%0.185CC..Hα-helixtrans-51.5-36-175.300000113.7V17 I284 M318 Y338 A339 N344 I345V17-A342 HydrophobicContact CG2-CB 4.12Å; I284-A342 HydrophobicContact CD1-CB 4.1Å; I284-A342 HydrophobicContact CG2-CB 4.41Å; M318-A342 HydrophobicContact SD-CB 3.64Å; Y338-A342 PolarHBondContact O-N 3.47Å; A339-A342 PolarHBondContact O-N 3.44Å; A342-N344 PolarHBondContact O-N 2.91Å; A342-N344 VanDerWaalsContact O-N 3.08Å; A342-I345 HydrophobicContact CB-CD1 4.42Å; A342-I345 WeakPolarHBondContact O-CB 3.44Å; A342-I345 VanDerWaalsContact O-CG1 3.31Å; A342-I345 WeakPolarHBondContact O-CG1 3.38Å; A342-I345 PolarHBondContact O-N 2.86Å; A342-I345 VanDerWaalsContact O-N 3.09Å
343K92.7Very high91.3Very high43 Ų4341.8 Ų41.819%0.18719%0.193CC..THydrogen-bonded Turntrans-54-26.6177.5-166.6178.5-173170.90114.9V17 T62 D64 A339 R341V17-K343 HydrophobicContact CB-CB 4.24Å; V17-K343 HydrophobicContact CB-CG 4.46Å; V17-K343 HydrophobicContact CG2-CB 3.79Å; V17-K343 HydrophobicContact CG2-CG 4.36Å; T62-K343 PolarHBondContact O-NZ 3.38Å; D64-K343 VanDerWaalsContact CG-CE 3.45Å; D64-K343 WeakPolarHBondContact OD1-CE 3.23Å; D64-K343 IonicContact OD1-NZ 3.51Å; D64-K343 PolarHBondContact OD1-NZ 3.42Å; D64-K343 WeakPolarHBondContact OD2-CE 3.3Å; A339-K343 PolarHBondContact O-N 3.19Å; A339-K343 VanDerWaalsContact O-N 3.14Å; R341-K343 PolarHBondContact O-N 2.93Å
344N91.3Very high90.6Very high86 Ų8644.8 Ų44.846%0.4621%0.209SC..THydrogen-bonded Turntrans-93.8-1.9-175.8-61-73.6000113.4V288 N340 R341 A342V288-N344 HydrophobicContact CG1-CB 3.87Å; V288-N344 HydrophobicContact CG2-CB 4.03Å; N340-N344 PolarHBondContact O-ND2 2.81Å; R341-N344 PolarHBondContact O-N 3.19Å; A342-N344 PolarHBondContact O-N 2.91Å; A342-N344 VanDerWaalsContact O-N 3.08Å
345I92.3Very high89.5Confident1 Ų148.9 Ų48.91%0.00524%0.235CC..  trans-70.2131.9173.3-58168.1000108.9N14 V15 I284 L287 V288 L310 A342N14-I345 CarbonylContact C-O 3.55Å; N14-I345 VanDerWaalsContact CA-O 3.32Å; N14-I345 WeakPolarHBondContact CA-O 3.23Å; V15-I345 HydrophobicContact CB-CB 4.25Å; V15-I345 HydrophobicContact CG2-CB 3.71Å; V15-I345 HydrophobicContact CG2-CD1 4.48Å; V15-I345 HydrophobicContact CG2-CG2 3.77Å; V15-I345 PolarHBondContact N-O 3.1Å; I284-I345 HydrophobicContact CB-CD1 4.18Å; I284-I345 HydrophobicContact CD1-CD1 4.25Å; I284-I345 HydrophobicContact CG1-CD1 3.71Å; I284-I345 HydrophobicContact CG2-CD1 4.03Å; L287-I345 HydrophobicContact CB-CG1 4.23Å; L287-I345 HydrophobicContact CB-CG2 4.5Å; L287-I345 HydrophobicContact CD1-CD1 4.36Å; L287-I345 HydrophobicContact CD1-CG1 4.47Å; L287-I345 HydrophobicContact CD1-CG2 4.04Å; V288-I345 HydrophobicContact CG2-CG1 3.85Å; L310-I345 HydrophobicContact CD2-CD1 4.03Å; A342-I345 HydrophobicContact CB-CD1 4.42Å; A342-I345 WeakPolarHBondContact O-CB 3.44Å; A342-I345 VanDerWaalsContact O-CG1 3.31Å; A342-I345 WeakPolarHBondContact O-CG1 3.38Å; A342-I345 PolarHBondContact O-N 2.86Å; A342-I345 VanDerWaalsContact O-N 3.09Å
346K90.8Very high88Confident136 Ų13655.7 Ų55.759%0.59126%0.264SS*.EExtended strand (participates in β ladder)trans-104.5120.5177-60.1-173.9177.5-178.80109.8C12C12-K346 HydrophobicContact CB-CB 4.38Å; C12-K346 HydrophobicContact CB-CD 4.44Å
347N91.7Very high86.7Confident1 Ų156.8 Ų56.81%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-98159.4173.2-69.610.7000110.4D13 S309 G311 S314 T316D13-N347 PolarHBondContact N-O 3.36Å; D13-N347 WeakPolarHBondContact O-CB 3.39Å; D13-N347 PolarHBondContact O-N 3.32Å; S309-N347 PolarHBondContact O-ND2 2.89Å; G311-N347 WeakPolarHBondContact CA-OD1 3.46Å; G311-N347 PolarHBondContact N-OD1 3.48Å; S314-N347 VanDerWaalsContact O-CB 3.31Å; S314-N347 WeakPolarHBondContact O-CB 3.47Å; S314-N347 PolarHBondContact O-ND2 3.44Å; T316-N347 PolarHBondContact OG1-ND2 3.11Å
348K88.6Confident85.6Confident109 Ų10957.3 Ų57.347%0.47428%0.28SS..  trans-117.768174.3-71-160.8171.4-153.40109.9E10 G312E10-K348 IonicContact OE2-NZ 4Å; E10-K348 PolarHBondContact OE2-NZ 2.9Å; G312-K348 PolarHBondContact O-N 3.33Å
349A90.1Very high84.6Confident18 Ų1860.7 Ų60.715%0.14930%0.299CS..  trans-66.1132.5179.400000111.7Y92 N313 K315Y92-A349 HydrophobicContact CD1-CB 4.01Å; Y92-A349 HydrophobicContact CE1-CB 4.34Å; N313-A349 WeakPolarHBondContact OD1-CA 3.33Å; K315-A349 HydrophobicContact CG-CB 3.58Å
350R89.3Confident83.3Confident140 Ų14064.2 Ų64.253%0.52832%0.317SS..  trans-136.4156.6177.6-65.8180174.1-177.7-3.7109.4E10 Y92 N313E10-R350 IonicContact OE1-CZ 2.71Å; E10-R350 IonicContact OE1-NE 2.69Å; E10-R350 IonicContact OE1-NH2 3.16Å; E10-R350 PolarHBondContact OE1-NH2 3.1Å; E10-R350 IonicContact OE2-NH2 3.86Å; Y92-R350 VanDerWaalsContact CD1-O 3.31Å; Y92-R350 WeakPolarHBondContact CD1-O 3.25Å; N313-R350 PolarHBondContact OD1-N 3.35Å; N313-R350 PolarHBondContact OD1-O 3.2Å
351I89.4Confident82.3Confident47 Ų4765 Ų6524%0.24132%0.315CS..BIsolated β-bridgetrans-72.5134.7171.3-60176.5000107.6Y92 R242 E353Y92-I351 HydrophobicContact CD1-CG1 4.35Å; Y92-I351 HydrophobicContact CD2-CG1 3.94Å; Y92-I351 HydrophobicContact CE1-CG1 4Å; Y92-I351 HydrophobicContact CE2-CD1 4.04Å; Y92-I351 HydrophobicContact CE2-CG1 3.53Å; Y92-I351 HydrophobicContact CG-CG1 4.33Å; R242-I351 HydrophobicContact CG-CG2 4.42Å; I351-E353 HydrophobicContact CG2-CB 4.43Å; I351-E353 HydrophobicContact CG2-CG 4.31Å
352N87.4Confident81.4Confident43 Ų4367 Ų6723%0.2333%0.328CS..  trans-92.4108.9174.3-39.2-75.5000109.2G91 N93 R242 M243 N313G91-N352 PolarHBondContact O-N 2.92Å; G91-N352 PolarHBondContact O-ND2 3.37Å; N93-N352 PolarHBondContact ND2-OD1 3Å; N93-N352 PolarHBondContact OD1-ND2 3.49Å; R242-N352 CarbonylContact C-O 3.57Å; R242-N352 WeakPolarHBondContact CA-O 3.41Å; M243-N352 PolarHBondContact N-O 2.98Å; M243-N352 WeakPolarHBondContact O-CB 3.21Å; M243-N352 PolarHBondContact O-ND2 3.14Å; N313-N352 PolarHBondContact ND2-OD1 3.05Å
353E83.3Confident80.5Confident37 Ų3771.9 Ų71.917%0.17335%0.35CS..BIsolated β-bridgetrans-151.5175.4-179.164.6-160.315600110.3V241 R242 I351 D357 A358 R361V241-E353 WeakPolarHBondContact O-CA 3.38Å; R242-E353 WeakPolarHBondContact CD-OE2 3.11Å; R242-E353 HydrophobicContact CG-CB 4.08Å; I351-E353 HydrophobicContact CG2-CB 4.43Å; I351-E353 HydrophobicContact CG2-CG 4.31Å; E353-D357 HydrophobicContact CG-CB 4.46Å; E353-A358 HydrophobicContact CG-CB 3.88Å; E353-R361 IonicContact OE1-CZ 3.06Å; E353-R361 IonicContact OE1-NH1 2.61Å; E353-R361 PolarHBondContact OE1-NH1 2.89Å; E353-R361 IonicContact OE1-NH2 2.95Å; E353-R361 IonicContact OE2-CZ 3.53Å; E353-R361 IonicContact OE2-NH1 3.73Å; E353-R361 PolarHBondContact OE2-NH1 3.08Å; E353-R361 IonicContact OE2-NH2 2.95Å; E353-R361 PolarHBondContact OE2-NH2 3.15Å
354D75.8Confident79.6Confident71 Ų7173.9 Ų73.938%0.3836%0.36SS..  trans-60.2134.7176.5-171.5-59.9000109.7K356 D357 A358D354-K356 PolarHBondContact O-N 3.09Å; D354-K356 VanDerWaalsContact OD1-CB 3.31Å; D354-K356 WeakPolarHBondContact OD1-CB 3.44Å; D354-K356 VanDerWaalsContact OD1-CG 3.3Å; D354-K356 WeakPolarHBondContact OD1-CG 3.25Å; D354-K356 PolarHBondContact OD1-N 3.21Å; D354-D357 HydrophobicContact CB-CB 4.33Å; D354-D357 WeakPolarHBondContact O-CB 3.44Å; D354-D357 PolarHBondContact O-N 2.9Å; D354-A358 PolarHBondContact O-N 3.39Å
355P68.8Low78.9Confident107 Ų10775.9 Ų75.970%0.69536%0.364SS*.Hα-helixtrans-52.1-26.3176.9-29.836.5000115.1L359P355-L359 WeakPolarHBondContact O-CB 3.44Å; P355-L359 PolarHBondContact O-N 2.99Å
356K62.9Low78.1Confident145 Ų14580.6 Ų80.663%0.6339%0.386SS*.Hα-helixtrans-70.1-46.1172.5-61.1165.4-169.71590111.6D354 L359 L360D354-K356 PolarHBondContact O-N 3.09Å; D354-K356 VanDerWaalsContact OD1-CB 3.31Å; D354-K356 WeakPolarHBondContact OD1-CB 3.44Å; D354-K356 VanDerWaalsContact OD1-CG 3.3Å; D354-K356 WeakPolarHBondContact OD1-CG 3.25Å; D354-K356 PolarHBondContact OD1-N 3.21Å; K356-L359 PolarHBondContact O-N 2.97Å; K356-L360 WeakPolarHBondContact O-CB 3.37Å; K356-L360 VanDerWaalsContact O-CG 3.3Å; K356-L360 WeakPolarHBondContact O-CG 3.27Å; K356-L360 PolarHBondContact O-N 3.46Å
357D68.3Low77.5Confident23 Ų2378.6 Ų78.612%0.12338%0.381CS..Hα-helixtrans-66.5-40.8-178.4-64.3-8.6000110.6H240 E353 D354 L360 R361H240-D357 WeakPolarHBondContact CA-OD2 3.37Å; H240-D357 WeakPolarHBondContact CB-OD2 3.44Å; H240-D357 IonicContact CE1-OD1 3.49Å; H240-D357 PolarHBondContact CE1-OD1 2.86Å; H240-D357 IonicContact CG-OD2 3.7Å; H240-D357 IonicContact ND1-OD1 3.57Å; H240-D357 PolarHBondContact ND1-OD1 2.85Å; H240-D357 IonicContact ND1-OD2 3.65Å; H240-D357 PolarHBondContact ND1-OD2 2.85Å; E353-D357 HydrophobicContact CG-CB 4.46Å; D354-D357 HydrophobicContact CB-CB 4.33Å; D354-D357 WeakPolarHBondContact O-CB 3.44Å; D354-D357 PolarHBondContact O-N 2.9Å; D357-L360 PolarHBondContact O-N 2.74Å; D357-R361 PolarHBondContact O-N 2.99Å
358A69.1Low77Confident38 Ų3885 Ų8531%0.31441%0.411SS..Hα-helixtrans-59.6-46172.900000111.9E353 D354 R361 Q362E353-A358 HydrophobicContact CG-CB 3.88Å; D354-A358 PolarHBondContact O-N 3.39Å; A358-R361 PolarHBondContact O-N 3.29Å; A358-Q362 WeakPolarHBondContact O-CB 3.41Å; A358-Q362 PolarHBondContact O-N 2.86Å
359L70.3Confident76.7Confident83 Ų8383 Ų8344%0.43540%0.403SS..Hα-helixtrans-68.1-39.9178.8-174.464.1000112P355 K356 Q362 F363P355-L359 WeakPolarHBondContact O-CB 3.44Å; P355-L359 PolarHBondContact O-N 2.99Å; K356-L359 PolarHBondContact O-N 2.97Å; L359-Q362 PolarHBondContact O-N 2.97Å; L359-F363 HydrophobicContact CD1-CD2 4.32Å; L359-F363 HydrophobicContact CD1-CE1 4.15Å; L359-F363 HydrophobicContact CD1-CE2 3.73Å; L359-F363 HydrophobicContact CD1-CZ 3.63Å; L359-F363 HydrophobicContact CD2-CE2 3.92Å; L359-F363 HydrophobicContact CD2-CZ 4.36Å; L359-F363 HydrophobicContact CG-CD2 4.01Å; L359-F363 HydrophobicContact CG-CE2 3.53Å; L359-F363 HydrophobicContact CG-CZ 3.99Å; L359-F363 WeakPolarHBondContact O-CD2 3.19Å; L359-F363 WeakPolarHBondContact O-CG 3.45Å; L359-F363 PolarHBondContact O-N 3.15Å
360L68.7Low76.3Confident74 Ų7486.4 Ų86.439%0.38742%0.418SS..Hα-helixtrans-60.5-45.8173.6-76.4168.2000111.4K356 D357 F363 Q364K356-L360 WeakPolarHBondContact O-CB 3.37Å; K356-L360 VanDerWaalsContact O-CG 3.3Å; K356-L360 WeakPolarHBondContact O-CG 3.27Å; K356-L360 PolarHBondContact O-N 3.46Å; D357-L360 PolarHBondContact O-N 2.74Å; L360-F363 PolarHBondContact O-N 2.77Å; L360-Q364 WeakPolarHBondContact O-CB 3.33Å; L360-Q364 VanDerWaalsContact O-CG 3.26Å; L360-Q364 WeakPolarHBondContact O-CG 3.5Å; L360-Q364 PolarHBondContact O-N 3.38Å
361R72.1Confident75.8Confident79 Ų7985.8 Ų85.830%0.29842%0.42SS..Hα-helixtrans-66.1-37.8176.1-166.9-179.7-57.8121.417.3112.2E353 D357 A358 Q364 K365E353-R361 IonicContact OE1-CZ 3.06Å; E353-R361 IonicContact OE1-NH1 2.61Å; E353-R361 PolarHBondContact OE1-NH1 2.89Å; E353-R361 IonicContact OE1-NH2 2.95Å; E353-R361 IonicContact OE2-CZ 3.53Å; E353-R361 IonicContact OE2-NH1 3.73Å; E353-R361 PolarHBondContact OE2-NH1 3.08Å; E353-R361 IonicContact OE2-NH2 2.95Å; E353-R361 PolarHBondContact OE2-NH2 3.15Å; D357-R361 PolarHBondContact O-N 2.99Å; A358-R361 PolarHBondContact O-N 3.29Å; R361-Q364 PolarHBondContact O-N 3.4Å; R361-K365 WeakPolarHBondContact O-CB 3.46Å; R361-K365 PolarHBondContact O-N 3.33Å
362Q74.3Confident75.6Confident125 Ų12589.1 Ų89.158%0.58443%0.432SS*.Hα-helixtrans-60.7-48.5175.3-176.9172.3-13.600111.1A358 L359 K365 E366A358-Q362 WeakPolarHBondContact O-CB 3.41Å; A358-Q362 PolarHBondContact O-N 2.86Å; L359-Q362 PolarHBondContact O-N 2.97Å; Q362-K365 PolarHBondContact O-N 3.32Å; Q362-E366 WeakPolarHBondContact O-CB 3.48Å; Q362-E366 PolarHBondContact O-N 3.02Å
363F74.3Confident75.4Confident104 Ų10491 Ų9146%0.45644%0.439SS..Hα-helixtrans-66.1-39176.2-67.5-35.6000113L359 L360 K365 E366 I367L359-F363 HydrophobicContact CD1-CD2 4.32Å; L359-F363 HydrophobicContact CD1-CE1 4.15Å; L359-F363 HydrophobicContact CD1-CE2 3.73Å; L359-F363 HydrophobicContact CD1-CZ 3.63Å; L359-F363 HydrophobicContact CD2-CE2 3.92Å; L359-F363 HydrophobicContact CD2-CZ 4.36Å; L359-F363 HydrophobicContact CG-CD2 4.01Å; L359-F363 HydrophobicContact CG-CE2 3.53Å; L359-F363 HydrophobicContact CG-CZ 3.99Å; L359-F363 WeakPolarHBondContact O-CD2 3.19Å; L359-F363 WeakPolarHBondContact O-CG 3.45Å; L359-F363 PolarHBondContact O-N 3.15Å; L360-F363 PolarHBondContact O-N 2.77Å; F363-K365 PolarHBondContact O-N 3.37Å; F363-E366 PolarHBondContact O-N 3.1Å; F363-I367 WeakPolarHBondContact O-CB 3.48Å; F363-I367 WeakPolarHBondContact O-CD1 3.35Å; F363-I367 WeakPolarHBondContact O-CG1 3.36Å; F363-I367 PolarHBondContact O-N 3.45Å
364Q72.9Confident75.3Confident85 Ų8593.9 Ų93.940%0.39746%0.455SS..Hα-helixtrans-59.6-46174.6-76.7169.90.400111.6L360 R361 I367 E368L360-Q364 WeakPolarHBondContact O-CB 3.33Å; L360-Q364 VanDerWaalsContact O-CG 3.26Å; L360-Q364 WeakPolarHBondContact O-CG 3.5Å; L360-Q364 PolarHBondContact O-N 3.38Å; R361-Q364 PolarHBondContact O-N 3.4Å; Q364-I367 PolarHBondContact O-N 3.07Å; Q364-E368 WeakPolarHBondContact O-CB 3.32Å; Q364-E368 PolarHBondContact O-N 2.59Å
365K75.9Confident75.4Confident127 Ų12795.9 Ų95.955%0.55246%0.462SS*.Hα-helixtrans-67.6-34.9177.2-175.1173.2-179.1175.30112.7R361 Q362 F363 E368 E369R361-K365 WeakPolarHBondContact O-CB 3.46Å; R361-K365 PolarHBondContact O-N 3.33Å; Q362-K365 PolarHBondContact O-N 3.32Å; F363-K365 PolarHBondContact O-N 3.37Å; K365-E368 PolarHBondContact O-N 3.01Å; K365-E369 WeakPolarHBondContact O-CB 3.46Å; K365-E369 PolarHBondContact O-N 2.77Å
366E76Confident75.9Confident101 Ų10195.8 Ų95.847%0.47245%0.452SS..Hα-helixtrans-68.8-40.2174.2-173.4162-153.100111.6Q362 F363 E369 L370Q362-E366 WeakPolarHBondContact O-CB 3.48Å; Q362-E366 PolarHBondContact O-N 3.02Å; F363-E366 PolarHBondContact O-N 3.1Å; E366-E369 PolarHBondContact O-N 3.41Å; E366-L370 HydrophobicContact CG-CD1 4.01Å; E366-L370 VanDerWaalsContact O-CB 3.3Å; E366-L370 WeakPolarHBondContact O-CB 3.48Å; E366-L370 WeakPolarHBondContact O-CD1 3.22Å; E366-L370 WeakPolarHBondContact O-CG 3.34Å; E366-L370 PolarHBondContact O-N 3.43Å
367I78.8Confident76.1Confident93 Ų9394.8 Ų94.848%0.47745%0.45SS..Hα-helixtrans-61.7-42.1171.4-70.7162.9000111F363 Q364 L370 K371F363-I367 WeakPolarHBondContact O-CB 3.48Å; F363-I367 WeakPolarHBondContact O-CD1 3.35Å; F363-I367 WeakPolarHBondContact O-CG1 3.36Å; F363-I367 PolarHBondContact O-N 3.45Å; Q364-I367 PolarHBondContact O-N 3.07Å; I367-L370 PolarHBondContact O-N 2.91Å; I367-K371 HydrophobicContact CG2-CD 4.25Å; I367-K371 HydrophobicContact CG2-CG 4.46Å; I367-K371 WeakPolarHBondContact O-CB 3.5Å; I367-K371 VanDerWaalsContact O-CG 3.32Å; I367-K371 WeakPolarHBondContact O-CG 3.48Å; I367-K371 PolarHBondContact O-N 3.42Å
368E80Confident75.7Confident137 Ų137100.6 Ų100.664%0.6448%0.476SS*.Hα-helixtrans-65.4-45.7175.9-173.3178.3-146.800111.8Q364 K365 L370 K371 K372Q364-E368 WeakPolarHBondContact O-CB 3.32Å; Q364-E368 PolarHBondContact O-N 2.59Å; K365-E368 PolarHBondContact O-N 3.01Å; E368-L370 VanDerWaalsContact C-N 3.27Å; E368-L370 PolarHBondContact O-N 2.74Å; E368-K371 PolarHBondContact O-N 3.44Å; E368-K372 WeakPolarHBondContact O-CB 3.47Å; E368-K372 PolarHBondContact O-N 3.09Å
369E83.1Confident75.2Confident65 Ų65105.4 Ų105.430%0.30450%0.495SS..Hα-helixtrans-63.1-28.8173.4-92.1-154.6-146.100113.8K8 K365 E366 K373K8-E369 IonicContact NZ-OE1 3.52Å; K8-E369 PolarHBondContact NZ-OE1 2.96Å; K8-E369 IonicContact NZ-OE2 2.81Å; K8-E369 PolarHBondContact NZ-OE2 2.79Å; K365-E369 WeakPolarHBondContact O-CB 3.46Å; K365-E369 PolarHBondContact O-N 2.77Å; E366-E369 PolarHBondContact O-N 3.41Å; E369-K373 VanDerWaalsContact O-CD 3.23Å; E369-K373 WeakPolarHBondContact O-CD 3.47Å; E369-K373 WeakPolarHBondContact O-CE 3.3Å; E369-K373 VanDerWaalsContact O-CG 3.22Å; E369-K373 WeakPolarHBondContact O-CG 3.37Å; E369-K373 PolarHBondContact O-N 3.09Å; E369-K373 PolarHBondContact O-NZ 3.33Å; E369-K373 IonicContact OE2-NZ 2.78Å; E369-K373 PolarHBondContact OE2-NZ 2.97Å
370L81.4Confident74.3Confident90 Ų90106 Ų10647%0.47151%0.506SS..Hα-helixtrans-81.9-42.2176.7-74.5168000111.2E366 I367 E368 K372 K373 L374E366-L370 HydrophobicContact CG-CD1 4.01Å; E366-L370 VanDerWaalsContact O-CB 3.3Å; E366-L370 WeakPolarHBondContact O-CB 3.48Å; E366-L370 WeakPolarHBondContact O-CD1 3.22Å; E366-L370 WeakPolarHBondContact O-CG 3.34Å; E366-L370 PolarHBondContact O-N 3.43Å; I367-L370 PolarHBondContact O-N 2.91Å; E368-L370 VanDerWaalsContact C-N 3.27Å; E368-L370 PolarHBondContact O-N 2.74Å; L370-K372 PolarHBondContact O-N 3.08Å; L370-K373 PolarHBondContact O-N 2.71Å; L370-L374 WeakPolarHBondContact O-CG 3.38Å; L370-L374 PolarHBondContact O-N 3.03Å
371K79.5Confident73.4Confident128 Ų128104.6 Ų104.656%0.55751%0.509SS*.Hα-helixtrans-57.3-47.7171.7-78.9-179174.5-1680111.6I367 E368 K373 L374 E375I367-K371 HydrophobicContact CG2-CD 4.25Å; I367-K371 HydrophobicContact CG2-CG 4.46Å; I367-K371 WeakPolarHBondContact O-CB 3.5Å; I367-K371 VanDerWaalsContact O-CG 3.32Å; I367-K371 WeakPolarHBondContact O-CG 3.48Å; I367-K371 PolarHBondContact O-N 3.42Å; E368-K371 PolarHBondContact O-N 3.44Å; K371-K373 VanDerWaalsContact C-N 3.27Å; K371-K373 PolarHBondContact O-N 3.02Å; K371-L374 WeakPolarHBondContact O-CB 3.3Å; K371-L374 PolarHBondContact O-N 3.29Å; K371-E375 WeakPolarHBondContact O-CG 3.49Å; K371-E375 PolarHBondContact O-N 3.3Å
372K84.3Confident72.1Confident116 Ų116105.5 Ų105.550%0.50453%0.528SS..Hα-helixtrans-61.6-34.4178.2-169.9171.5-172.9-70.40112.8E368 L370 E376E368-K372 WeakPolarHBondContact O-CB 3.47Å; E368-K372 PolarHBondContact O-N 3.09Å; L370-K372 PolarHBondContact O-N 3.08Å; K372-E376 IonicContact NZ-OE1 2.69Å; K372-E376 PolarHBondContact NZ-OE1 2.86Å; K372-E376 WeakPolarHBondContact O-CB 3.26Å; K372-E376 WeakPolarHBondContact O-CG 3.35Å; K372-E376 PolarHBondContact O-N 3.38Å
373K83.8Confident70.7Confident83 Ų83106.9 Ų106.936%0.36154%0.539SS..Hα-helixtrans-70.2-38.5173.1-72.8164.4-163.4133.70112.1E369 L370 K371 E376 E377E369-K373 VanDerWaalsContact O-CD 3.23Å; E369-K373 WeakPolarHBondContact O-CD 3.47Å; E369-K373 WeakPolarHBondContact O-CE 3.3Å; E369-K373 VanDerWaalsContact O-CG 3.22Å; E369-K373 WeakPolarHBondContact O-CG 3.37Å; E369-K373 PolarHBondContact O-N 3.09Å; E369-K373 PolarHBondContact O-NZ 3.33Å; E369-K373 IonicContact OE2-NZ 2.78Å; E369-K373 PolarHBondContact OE2-NZ 2.97Å; L370-K373 PolarHBondContact O-N 2.71Å; K371-K373 VanDerWaalsContact C-N 3.27Å; K371-K373 PolarHBondContact O-N 3.02Å; K373-E376 PolarHBondContact O-N 2.81Å; K373-E377 VanDerWaalsContact O-CB 3.31Å; K373-E377 WeakPolarHBondContact O-CB 3.31Å; K373-E377 VanDerWaalsContact O-CG 3.31Å; K373-E377 WeakPolarHBondContact O-CG 3.4Å; K373-E377 PolarHBondContact O-N 2.85Å
374L80.3Confident69.2Low97 Ų97109.2 Ų109.251%0.50856%0.555SS.*Hα-helixtrans-65.6-41.7174.3-69.7167.3000111.2L370 K371 E377 E378L370-L374 WeakPolarHBondContact O-CG 3.38Å; L370-L374 PolarHBondContact O-N 3.03Å; K371-L374 WeakPolarHBondContact O-CB 3.3Å; K371-L374 PolarHBondContact O-N 3.29Å; L374-E377 PolarHBondContact O-N 3.06Å; L374-E378 WeakPolarHBondContact O-CB 3.25Å; L374-E378 WeakPolarHBondContact O-CG 3.25Å; L374-E378 PolarHBondContact O-N 3.15Å
375E79.4Confident67.5Low114 Ų114111.1 Ų111.153%0.53358%0.577SS.*Hα-helixtrans-62-42.5172-69.9167.9-175.900111.6K371 I379K371-E375 WeakPolarHBondContact O-CG 3.49Å; K371-E375 PolarHBondContact O-N 3.3Å; E375-I379 WeakPolarHBondContact O-CB 3.24Å; E375-I379 WeakPolarHBondContact O-CD1 3.17Å; E375-I379 WeakPolarHBondContact O-CG1 3.39Å; E375-I379 PolarHBondContact O-N 3.32Å; E375-I379 VanDerWaalsContact O-N 3.07Å
376E78Confident65.4Low105 Ų105108.9 Ų108.949%0.49159%0.59SS.*Hα-helixtrans-66-35.3174.7-75.9169.317500113K372 K373 S380K372-E376 IonicContact NZ-OE1 2.69Å; K372-E376 PolarHBondContact NZ-OE1 2.86Å; K372-E376 WeakPolarHBondContact O-CB 3.26Å; K372-E376 WeakPolarHBondContact O-CG 3.35Å; K372-E376 PolarHBondContact O-N 3.38Å; K373-E376 PolarHBondContact O-N 2.81Å; E376-S380 PolarHBondContact O-N 3.06Å
377E67.9Low63.4Low124 Ų124109.1 Ų109.158%0.57960%0.603SS**Hα-helixtrans-75.8-41.9176.4-75.9175.2-179.400111.6K373 L374 I379 S380 G381K373-E377 VanDerWaalsContact O-CB 3.31Å; K373-E377 WeakPolarHBondContact O-CB 3.31Å; K373-E377 VanDerWaalsContact O-CG 3.31Å; K373-E377 WeakPolarHBondContact O-CG 3.4Å; K373-E377 PolarHBondContact O-N 2.85Å; L374-E377 PolarHBondContact O-N 3.06Å; E377-I379 PolarHBondContact O-N 3Å; E377-S380 CarbonylContact O-C 3.53Å; E377-S380 WeakPolarHBondContact O-CA 3.28Å; E377-S380 PolarHBondContact O-N 3.15Å; E377-S380 PolarHBondContact O-OG 3.03Å; E377-G381 PolarHBondContact O-N 2.96Å
378E59.9Low61.4Low144 Ų144113.2 Ų113.267%0.67362%0.62SS**Hα-helixtrans-60.6-43.1174.8-78.5178.9178.300111.8L374 S380 G381 S382L374-E378 WeakPolarHBondContact O-CB 3.25Å; L374-E378 WeakPolarHBondContact O-CG 3.25Å; L374-E378 PolarHBondContact O-N 3.15Å; E378-S380 PolarHBondContact O-N 2.83Å; E378-G381 PolarHBondContact O-N 3.07Å; E378-G381 VanDerWaalsContact O-N 3.12Å; E378-S382 PolarHBondContact O-N 3.4Å
379I58.1Low59.1Low140 Ų140116.1 Ų116.172%0.71863%0.634SS**Hα-helixtrans-64.4-22.1174.5-69.2167000112.1E375 E377E375-I379 WeakPolarHBondContact O-CB 3.24Å; E375-I379 WeakPolarHBondContact O-CD1 3.17Å; E375-I379 WeakPolarHBondContact O-CG1 3.39Å; E375-I379 PolarHBondContact O-N 3.32Å; E375-I379 VanDerWaalsContact O-N 3.07Å; E377-I379 PolarHBondContact O-N 3Å
380S51.2Low56.8Low95 Ų95120 Ų12066%0.66466%0.657SS**Hα-helixtrans-91.1-19.6173.779.70000114.2E376 E377 E378E376-S380 PolarHBondContact O-N 3.06Å; E377-S380 CarbonylContact O-C 3.53Å; E377-S380 WeakPolarHBondContact O-CA 3.28Å; E377-S380 PolarHBondContact O-N 3.15Å; E377-S380 PolarHBondContact O-OG 3.03Å; E378-S380 PolarHBondContact O-N 2.83Å
381G49.6Very low54.5Low44 Ų44122.7 Ų122.745%0.45467%0.672SS.*Hα-helixtrans-88.9-20.7-175.600000114.8E377 E378 D383 I384E377-G381 PolarHBondContact O-N 2.96Å; E378-G381 PolarHBondContact O-N 3.07Å; E378-G381 VanDerWaalsContact O-N 3.12Å; G381-D383 PolarHBondContact O-N 2.97Å; G381-D383 VanDerWaalsContact O-N 3.09Å; G381-I384 PolarHBondContact O-N 3.38Å
382S45.6Very low52.3Low98 Ų98123.1 Ų123.169%0.68568%0.68SS**THydrogen-bonded Turntrans-68.3-8.6-169.760.70000116.3E378E378-S382 PolarHBondContact O-N 3.4Å
383D43.9Very low49.9Very low155 Ų155125.9 Ų125.983%0.82970%0.695SS**THydrogen-bonded Turntrans-90.6-9.2178.2-85-16.3000114.1G381G381-D383 PolarHBondContact O-N 2.97Å; G381-D383 VanDerWaalsContact O-N 3.09Å
384I43.6Very low47.4Very low153 Ų153131 Ų13179%0.78572%0.72SS**SBendtrans-136.977-177.9-51.7178.4000112.5G381G381-I384 PolarHBondContact O-N 3.38Å
385S36.8Very low45Very low124 Ų124129.8 Ų129.887%0.86773%0.731SS**  trans173.2132.4131.740.90000110.7
386G32.3Very low42.7Very low80 Ų80133.5 Ų133.583%0.82575%0.749SS**  trans-17126.7-173.500000114.6
387S34.3Very low40.5Very low107 Ų107134.5 Ų134.575%0.74876%0.762SS**  trans-167.1134.9-18058.80000106.1
388E37Very low38.6Very low178 Ų178132 Ų13283%0.83277%0.769SS**  cis-140.9151.811.9-57.7165141.400108.5
389E32.4Very low37.2Very low199 Ų199134.4 Ų134.493%0.9378%0.78SS**  trans-162.7142.6150.5-116.2167.6-144.600108.6
390D33.4Very low35.8Very low145 Ų145135.5 Ų135.578%0.77579%0.787SS**  trans-109.3167.1-159.7-73.8-57.9000115
391D33Very low34.8Very low147 Ų147134.1 Ų134.179%0.78679%0.788SS**  trans78.8155.3149.7-72.1-27.1000123.5
392D33.3Very low33.8Very low137 Ų137139.2 Ų139.273%0.73380%0.8SS**  trans76.790.4161-61.8-17000123.7
393E34.7Very low33Very low175 Ų175141.4 Ų141.482%0.81880%0.797SS**  96.7138.5116.6-78-165149.600125.7
394E31.8Very low32.2Very low189 Ų189143 Ų14388%0.88379%0.792SS**  trans66.2139.5158.7-64.7-160.3150.100125
395G29.3Very low31.5Very low72 Ų72143.1 Ų143.174%0.74279%0.787SS**  trans109.885.4164.100000116.7
396E31.4Very low31Very low193 Ų193145.9 Ų145.990%0.90278%0.783SS**  48.2128.781.6-88.4-142.616100115.7
397V30.4Very low30.8Very low126 Ų126151.6 Ų151.676%0.76478%0.78SS**  cis-150.7152-0.9169.40000108.7
398G29.2Very low30.4Very low71 Ų71157.5 Ų157.573%0.73279%0.786SS**  trans165.2127155.400000118.2
399E29.4Very low29.8Very low195 Ų195152.3 Ų152.391%0.91178%0.78SS**  trans-69.1168169.7-62.9163.8123.400111.2
400D29.7Very low29.5Very low162 Ų162150 Ų15087%0.86677%0.774SS**  cis-161.4178.928.2-162.6-6.9000110.5
401G29.4Very low29.2Very low67 Ų67147.2 Ų147.269%0.69177%0.766SS**  trans11959.1156.700000118.9
402E29Very low28.9Very low151 Ų151144.8 Ų144.871%0.70676%0.761SS**  trans-37.7153.2155-93.2-167115.200115.1
403K28.1Very low28.6Very low143 Ų143143.7 Ų143.762%0.62276%0.764SS**  cis-174.714240.4-126.4157.7175.8125.50114.8
404R27.6Very low28.3Very low188 Ų188140.8 Ų140.871%0.70976%0.763SS**  trans64.9120.7139.8-73.8157.987.9104.4-20.3123.7
405K28.8Very low28Very low156 Ų156136.6 Ų136.668%0.67876%0.755SS**  9898.6120.9-83.1-173.6175.7-175.40122.1
406K25.9Very low28Very low182 Ų182138.3 Ų138.379%0.79176%0.755SS**  75.7134108.4-96.1-170.8178.4-178.20121.8
407R28.4Very low27.8Very low201 Ų201136.1 Ų136.176%0.75875%0.75SS**  trans79.3109.1154.2-66.8175.472122.9-1.2114.5
408R26Very low27.7Very low230 Ų230134.2 Ų134.287%0.86874%0.742SS**  80.5118.270-86-178.763.5162.50.8111.7
409G25.3Very low27.6Very low70 Ų70138.1 Ų138.172%0.72275%0.751SS**  trans137.895.9139.200000117
410N25.7Very low27.4Very low150 Ų150134.3 Ų134.380%0.80275%0.745SS**  55.7113.8125.7-101.574.9000121.8
411S25.9Very low27.3Very low86 Ų86131.7 Ų131.760%0.60174%0.739SS**  67147.4117.868.20000122.3
412S27.4Very low27.4Very low97 Ų97133.7 Ų133.768%0.67874%0.738SS**  trans55.4100.9148.657.40000117.5
413S27.5Very low27.6Very low114 Ų114133.3 Ų133.380%0.79774%0.74SS**  72.597.166780000115.2
414S27.5Very low27.8Very low113 Ų113132.5 Ų132.579%0.7974%0.738SS**  trans-172.9158.113859.10000112
415S27Very low28Very low102 Ų102131.1 Ų131.171%0.71374%0.737SS**  trans-39.8157.2153.543.50000114.1
416S28.4Very low28.8Very low108 Ų108129.2 Ų129.276%0.75574%0.74SS**  cis-172.1170.84.737.30000109.6
417D26.1Very low29Very low147 Ų147128.2 Ų128.279%0.78674%0.743SS**  175.5166.8109.3-160.815.6000112.8
418S28.6Very low29.4Very low85 Ų85123.9 Ų123.959%0.59474%0.735SS**  trans-47.1149.5178-50.10000117.8
419T27.6Very low29.8Very low153 Ų153120 Ų12094%0.93972%0.724SS**  -176.4-179111.627.10000111.5
420C26.2Very low30.1Very low116 Ų116125.7 Ų125.778%0.78473%0.73SS**  trans-134.8171.5-159.1-169.90000114.1
421S27.5Very low30.6Very low106 Ų106126.1 Ų126.174%0.74173%0.731SS**  trans75.2158.9174.168.40000115.9
422V31.2Very low31.5Very low109 Ų109127.7 Ų127.766%0.66174%0.739SS**  cis-160.7132.738.2179.30000112.6
423I32.1Very low31.8Very low144 Ų144129.7 Ų129.774%0.73874%0.742SS**  trans63.2151.2151-67174.9000120.2
424E32.3Very low32.2Very low125 Ų125132.2 Ų132.258%0.58474%0.741SS**  cis-171.5160.6-22.7-99.8-168.512900112.9
425K33.3Very low32.4Very low160 Ų160131 Ų13170%0.69674%0.738SS**  trans68.7167145.2-75.2164.4-177.7148.70120.9
426P44.4Very low32.7Very low115 Ų115129.9 Ų129.975%0.74774%0.743SS**  -143.3160.2-51.141.9-24.8000117.8
427L31.6Very low33.1Very low162 Ų162134.5 Ų134.585%0.84875%0.749SS**  trans39.4129.1141.2-146.480.8000124.2
428D36.1Very low33.8Very low109 Ų109137.1 Ų137.158%0.58375%0.754SS**  147.8137.5104.5-15721.6000119.1
429K35.1Very low34.5Very low148 Ų148143 Ų14364%0.64377%0.769SS**  trans74149.1144.5-104.5173.8-147.473.20128.6
430F31.5Very low35.6Very low191 Ų191140.7 Ų140.784%0.83875%0.754SS**  trans98.1145.1154.4-75.7-66.2000123.4
431L36.2Very low36.8Very low159 Ų159138.1 Ų138.183%0.83274%0.737SS**  trans-138.6159-176-77.7168.4000109
432P44.3Very low38.3Very low119 Ų119137 Ų13777%0.77373%0.727SS**  -153.7157.6103.638.3-20.1000118.3
433N33.6Very low39.7Very low138 Ų138137.4 Ų137.474%0.73873%0.726SS**  trans13.1152.5137.6-72.1-14.9000121.3
434Q35.6Very low41Very low168 Ų168137.7 Ų137.779%0.78572%0.722SS**  cis-174.3178.52.7-110.5-173.285.500107.5
435A32.5Very low42.2Very low88 Ų88136.8 Ų136.873%0.72772%0.719SS**  cis-169.1164.8-1400000109.7
436G31.6Very low44Very low78 Ų78134.6 Ų134.680%0.80471%0.714SS**  trans-179.5144.4169.100000114.5
437K38.7Very low45.1Very low204 Ų204134.5 Ų134.589%0.88770%0.703SS**  trans-129.1141.5-172.8-69.9172.4176.7167.40113.9
438K40.5Very low46.4Very low203 Ų203133 Ų13388%0.88369%0.693SS**  trans177.192137.6-96.8161.7-170.9-178.30109.3
439K42.5Very low47.9Very low209 Ų209132.4 Ų132.491%0.90969%0.687SS**  57.5102.996.3-76.9-160.2170.7-166.30115.1
440V49.8Very low49.9Very low103 Ų103128 Ų12862%0.62468%0.678SS**  trans-97.7157161.7178.70000109.1M445V440-M445 HydrophobicContact CB-SD 4.47Å; V440-M445 HydrophobicContact CG1-CG 4.39Å
441S51.6Low52Low62 Ų62124.2 Ų124.243%0.43466%0.661SS.*  trans-73.1146.5179.652.50000112.9D443S441-D443 PolarHBondContact O-N 3.28Å
442P59.9Low53.6Low83 Ų83120.2 Ų120.254%0.53964%0.64SS.*Hα-helixtrans-57-46.9-172-26.535.7000114.6K444 M445 I446P442-K444 VanDerWaalsContact C-N 3.29Å; P442-K444 PolarHBondContact O-N 3.01Å; P442-M445 WeakPolarHBondContact O-CB 3.27Å; P442-M445 PolarHBondContact O-N 3.47Å; P442-I446 PolarHBondContact O-N 3.2Å; P442-I446 VanDerWaalsContact O-N 3.13Å
443D60.6Low55.1Low118 Ų118118.2 Ų118.263%0.63162%0.622SS**Hα-helixtrans-65.2-32.9-165.4-41.4-56.2000112.8S441 I446 E447S441-D443 PolarHBondContact O-N 3.28Å; D443-I446 PolarHBondContact O-N 2.99Å; D443-E447 PolarHBondContact O-N 2.94Å
444K59.5Low57.2Low150 Ų150118.6 Ų118.665%0.65262%0.62SS**Hα-helixtrans-74.6-24.6175.9-70.6-166.6173.6-170.20113.5P442 M448P442-K444 VanDerWaalsContact C-N 3.29Å; P442-K444 PolarHBondContact O-N 3.01Å; K444-M448 WeakPolarHBondContact O-CB 3.49Å; K444-M448 PolarHBondContact O-N 3.43Å
445M57.7Low59Low106 Ų106117.2 Ų117.252%0.52261%0.613SS.*Hα-helixtrans-75.5-35170.7-63.8-172.8-62.200110.7V440 P442 Q449V440-M445 HydrophobicContact CB-SD 4.47Å; V440-M445 HydrophobicContact CG1-CG 4.39Å; P442-M445 WeakPolarHBondContact O-CB 3.27Å; P442-M445 PolarHBondContact O-N 3.47Å; M445-Q449 WeakPolarHBondContact O-CB 3.48Å; M445-Q449 PolarHBondContact O-N 3.13Å
446I70Confident60.9Low114 Ų114120.4 Ų120.459%0.58561%0.607SS**Hα-helixtrans-65-47.7175.6-62.5168.8000110.9P442 D443 M448 Q449 A450P442-I446 PolarHBondContact O-N 3.2Å; P442-I446 VanDerWaalsContact O-N 3.13Å; D443-I446 PolarHBondContact O-N 2.99Å; I446-M448 VanDerWaalsContact C-N 3.33Å; I446-M448 PolarHBondContact O-N 3.41Å; I446-Q449 PolarHBondContact O-N 3.41Å; I446-A450 WeakPolarHBondContact O-CB 3.41Å; I446-A450 PolarHBondContact O-N 2.85Å
447E68.4Low63.1Low113 Ų113123.5 Ų123.553%0.52860%0.598SS.*Hα-helixtrans-65.5-35.2179.3-159.9-161.3150.300112.7D443 K451D443-E447 PolarHBondContact O-N 2.94Å; E447-K451 PolarHBondContact O-N 2.85Å; E447-K451 IonicContact OE1-NZ 3.66Å; E447-K451 PolarHBondContact OE1-NZ 3.28Å
448M59.9Low64.9Low129 Ų129116.2 Ų116.264%0.63558%0.576SS**Hα-helixtrans-72.3-42.4176-174.1170.5179.300111.9K444 I446 K451 I452K444-M448 WeakPolarHBondContact O-CB 3.49Å; K444-M448 PolarHBondContact O-N 3.43Å; I446-M448 VanDerWaalsContact C-N 3.33Å; I446-M448 PolarHBondContact O-N 3.41Å; M448-K451 PolarHBondContact O-N 3.5Å; M448-I452 HydrophobicContact CE-CD1 4.2Å; M448-I452 HydrophobicContact CG-CD1 3.99Å; M448-I452 WeakPolarHBondContact O-CG1 3.47Å; M448-I452 PolarHBondContact O-N 2.85Å; M448-I452 VanDerWaalsContact O-N 3.11Å
449Q66.2Low66.1Low98 Ų98111.7 Ų111.746%0.45856%0.561SS.*Hα-helixtrans-63-42.9176.2-171.264.851.600111.2M445 I446 K451 I452 D453M445-Q449 WeakPolarHBondContact O-CB 3.48Å; M445-Q449 PolarHBondContact O-N 3.13Å; I446-Q449 PolarHBondContact O-N 3.41Å; Q449-K451 VanDerWaalsContact C-N 3.32Å; Q449-K451 PolarHBondContact O-N 2.96Å; Q449-I452 PolarHBondContact O-N 3.45Å; Q449-D453 PolarHBondContact NE2-OD1 3.3Å; Q449-D453 WeakPolarHBondContact O-CB 3.37Å; Q449-D453 VanDerWaalsContact O-CG 3.24Å; Q449-D453 PolarHBondContact O-N 3.48Å
450A77.3Confident67.4Low54 Ų54106.1 Ų106.145%0.44654%0.538SS..Hα-helixtrans-58.1-41.7178.400000112.8I446 D453 E454I446-A450 WeakPolarHBondContact O-CB 3.41Å; I446-A450 PolarHBondContact O-N 2.85Å; A450-D453 PolarHBondContact O-N 3.44Å; A450-E454 VanDerWaalsContact O-CB 3.29Å; A450-E454 WeakPolarHBondContact O-CB 3.41Å; A450-E454 PolarHBondContact O-N 3.47Å
451K75.6Confident68.5Low112 Ų112104.6 Ų104.649%0.48753%0.529SS..Hα-helixtrans-70.3-38.5177-70.1172.3-171165.70112.5E447 M448 Q449 E454 E455E447-K451 PolarHBondContact O-N 2.85Å; E447-K451 IonicContact OE1-NZ 3.66Å; E447-K451 PolarHBondContact OE1-NZ 3.28Å; M448-K451 PolarHBondContact O-N 3.5Å; Q449-K451 VanDerWaalsContact C-N 3.32Å; Q449-K451 PolarHBondContact O-N 2.96Å; K451-E454 PolarHBondContact O-N 2.85Å; K451-E455 PolarHBondContact O-N 2.71Å
452I70.4Confident69.5Low75 Ų75107.6 Ų107.639%0.38553%0.534SS..Hα-helixtrans-64.2-42.1174.4-69.8167.2000110.8M448 Q449 R456M448-I452 HydrophobicContact CE-CD1 4.2Å; M448-I452 HydrophobicContact CG-CD1 3.99Å; M448-I452 WeakPolarHBondContact O-CG1 3.47Å; M448-I452 PolarHBondContact O-N 2.85Å; M448-I452 VanDerWaalsContact O-N 3.11Å; Q449-I452 PolarHBondContact O-N 3.45Å; I452-R456 WeakPolarHBondContact O-CB 3.25Å; I452-R456 PolarHBondContact O-N 3.05Å
453D74.6Confident70Confident77 Ų77108.9 Ų108.941%0.41254%0.536SS..Hα-helixtrans-69-35178-67.2-18.6000111.6Q449 A450 K457Q449-D453 PolarHBondContact NE2-OD1 3.3Å; Q449-D453 WeakPolarHBondContact O-CB 3.37Å; Q449-D453 VanDerWaalsContact O-CG 3.24Å; Q449-D453 PolarHBondContact O-N 3.48Å; A450-D453 PolarHBondContact O-N 3.44Å; D453-K457 VanDerWaalsContact O-CB 3.23Å; D453-K457 WeakPolarHBondContact O-CB 3.21Å; D453-K457 PolarHBondContact O-N 2.92Å
454E78.3Confident70.5Confident146 Ų146108.1 Ų108.168%0.68253%0.532SS*.Hα-helixtrans-70.7-46.7175.9-171.4166-130.200112.3A450 K451 K457 A458A450-E454 VanDerWaalsContact O-CB 3.29Å; A450-E454 WeakPolarHBondContact O-CB 3.41Å; A450-E454 PolarHBondContact O-N 3.47Å; K451-E454 PolarHBondContact O-N 2.85Å; E454-K457 PolarHBondContact O-N 2.71Å; E454-A458 WeakPolarHBondContact O-CB 3.43Å; E454-A458 PolarHBondContact O-N 3.27Å
455E74.2Confident71Confident139 Ų139106.4 Ų106.465%0.6553%0.527SS*.Hα-helixtrans-62-43.2172.2-75.9-169.9141.600111.8K451 K457 A458 L459K451-E455 PolarHBondContact O-N 2.71Å; E455-K457 VanDerWaalsContact C-N 3.34Å; E455-K457 PolarHBondContact O-N 3.37Å; E455-A458 PolarHBondContact O-N 3.21Å; E455-L459 WeakPolarHBondContact O-CG 3.48Å; E455-L459 PolarHBondContact O-N 3.42Å
456R72Confident71.5Confident155 Ų155107.6 Ų107.659%0.58553%0.532SS*.Hα-helixtrans-60.7-44.1177.4-178.3173.5175.7-117.3-21.9111.2I452 L459 E460I452-R456 WeakPolarHBondContact O-CB 3.25Å; I452-R456 PolarHBondContact O-N 3.05Å; R456-L459 PolarHBondContact O-N 3.37Å; R456-E460 IonicContact NH2-OE1 3.59Å; R456-E460 WeakPolarHBondContact O-CB 3.5Å; R456-E460 PolarHBondContact O-N 2.87Å
457K77.8Confident71.6Confident143 Ų143106.5 Ų106.562%0.62252%0.524SS*.Hα-helixtrans-67.9-34.7177.8-167.1173.5-173.8178.50112.5D453 E454 E455 L459 E460 T461D453-K457 VanDerWaalsContact O-CB 3.23Å; D453-K457 WeakPolarHBondContact O-CB 3.21Å; D453-K457 PolarHBondContact O-N 2.92Å; E454-K457 PolarHBondContact O-N 2.71Å; E455-K457 VanDerWaalsContact C-N 3.34Å; E455-K457 PolarHBondContact O-N 3.37Å; K457-L459 VanDerWaalsContact C-N 3.34Å; K457-E460 PolarHBondContact O-N 2.73Å; K457-T461 PolarHBondContact O-N 3.37Å; K457-T461 PolarHBondContact O-OG1 2.88Å
458A76Confident71.7Confident51 Ų51108 Ų10842%0.42153%0.531SS..Hα-helixtrans-70.7-27.4174.300000113.3E454 E455 T461 K462E454-A458 WeakPolarHBondContact O-CB 3.43Å; E454-A458 PolarHBondContact O-N 3.27Å; E455-A458 PolarHBondContact O-N 3.21Å; A458-T461 PolarHBondContact O-OG1 3.12Å; A458-K462 WeakPolarHBondContact O-CG 3.27Å
459L67Low72.3Confident109 Ų109108.9 Ų108.957%0.57153%0.534SS*.Hα-helixtrans-76.3-41.2169.3-73.6166.4000111.9E455 R456 K457 K462 L463E455-L459 WeakPolarHBondContact O-CG 3.48Å; E455-L459 PolarHBondContact O-N 3.42Å; R456-L459 PolarHBondContact O-N 3.37Å; K457-L459 VanDerWaalsContact C-N 3.34Å; L459-K462 PolarHBondContact O-N 3.23Å; L459-K462 VanDerWaalsContact O-N 3.16Å; L459-L463 PolarHBondContact O-N 2.77Å
460E69.4Low72.4Confident92 Ų92111.3 Ų111.343%0.4354%0.539SS..Hα-helixtrans-58-50.5176.5-159.9160.5-119.100110.5R456 K457 K462 L463 D464R456-E460 IonicContact NH2-OE1 3.59Å; R456-E460 WeakPolarHBondContact O-CB 3.5Å; R456-E460 PolarHBondContact O-N 2.87Å; K457-E460 PolarHBondContact O-N 2.73Å; E460-K462 VanDerWaalsContact C-N 3.26Å; E460-K462 PolarHBondContact O-N 3.37Å; E460-L463 PolarHBondContact O-N 2.79Å; E460-D464 PolarHBondContact O-N 3.4Å
461T72.3Confident72.3Confident70 Ų70112.2 Ų112.243%0.42954%0.536SS..Hα-helixtrans-64.9-25.1176.454.70000114.5K457 A458 M465K457-T461 PolarHBondContact O-N 3.37Å; K457-T461 PolarHBondContact O-OG1 2.88Å; A458-T461 PolarHBondContact O-OG1 3.12Å; T461-M465 WeakPolarHBondContact O-CE 3.44Å; T461-M465 WeakPolarHBondContact O-CG 3.36Å; T461-M465 PolarHBondContact O-N 2.68Å
462K72.4Confident72.5Confident125 Ų125114.4 Ų114.454%0.54355%0.545SS..Hα-helixtrans-75.8-42.8174.5-80-179.2177.8-173.80111.5A458 L459 E460 D464 M465 E466A458-K462 WeakPolarHBondContact O-CG 3.27Å; L459-K462 PolarHBondContact O-N 3.23Å; L459-K462 VanDerWaalsContact O-N 3.16Å; E460-K462 VanDerWaalsContact C-N 3.26Å; E460-K462 PolarHBondContact O-N 3.37Å; K462-D464 VanDerWaalsContact C-N 3.32Å; K462-M465 HydrophobicContact CG-CE 4.25Å; K462-M465 PolarHBondContact O-N 3.16Å; K462-E466 WeakPolarHBondContact O-CG 3.48Å; K462-E466 PolarHBondContact O-N 2.98Å
463L70.8Confident72.5Confident111 Ų111113.3 Ų113.358%0.58155%0.548SS*.Hα-helixtrans-60.9-41.5173.4-81.6162.3000111.4L459 E460 M465 E466 E467L459-L463 PolarHBondContact O-N 2.77Å; E460-L463 PolarHBondContact O-N 2.79Å; L463-M465 PolarHBondContact O-N 2.97Å; L463-E466 PolarHBondContact O-N 3.25Å; L463-E467 WeakPolarHBondContact O-CB 3.38Å; L463-E467 PolarHBondContact O-N 3.46Å
464D70.5Confident72.6Confident101 Ų101118 Ų11854%0.5456%0.56SS.*Hα-helixtrans-59.3-45.6174.8-70.6-23.4000111.9E460 K462 E467 E468E460-D464 PolarHBondContact O-N 3.4Å; K462-D464 VanDerWaalsContact C-N 3.32Å; D464-E467 PolarHBondContact O-N 2.9Å; D464-E468 WeakPolarHBondContact O-CB 3.26Å; D464-E468 PolarHBondContact O-N 2.87Å
465M69.7Low72.6Confident114 Ų114113.7 Ų113.756%0.56255%0.55SS*.Hα-helixtrans-66.3-44.7177.8-72.2-175.5-64.500112.6T461 K462 L463 E467 E468 E469T461-M465 WeakPolarHBondContact O-CE 3.44Å; T461-M465 WeakPolarHBondContact O-CG 3.36Å; T461-M465 PolarHBondContact O-N 2.68Å; K462-M465 HydrophobicContact CG-CE 4.25Å; K462-M465 PolarHBondContact O-N 3.16Å; L463-M465 PolarHBondContact O-N 2.97Å; M465-E467 VanDerWaalsContact C-N 3.34Å; M465-E467 PolarHBondContact O-N 3.23Å; M465-E468 PolarHBondContact O-N 2.89Å; M465-E469 PolarHBondContact O-N 2.89Å
466E69.1Low72.7Confident131 Ų131111.9 Ų111.961%0.61254%0.541SS*.Hα-helixtrans-65.5-35.9176.8-73.1178.3-168.400111.9K462 L463 R470K462-E466 WeakPolarHBondContact O-CG 3.48Å; K462-E466 PolarHBondContact O-N 2.98Å; L463-E466 PolarHBondContact O-N 3.25Å; E466-R470 WeakPolarHBondContact O-CB 3.5Å; E466-R470 PolarHBondContact O-N 3.41Å
467E71Confident72.7Confident91 Ų91109.9 Ų109.943%0.42554%0.541SS..Hα-helixtrans-69-40.3173.7175133.8-132.900111.8L463 D464 M465 R470 N471L463-E467 WeakPolarHBondContact O-CB 3.38Å; L463-E467 PolarHBondContact O-N 3.46Å; D464-E467 PolarHBondContact O-N 2.9Å; M465-E467 VanDerWaalsContact C-N 3.34Å; M465-E467 PolarHBondContact O-N 3.23Å; E467-R470 PolarHBondContact O-N 2.71Å; E467-R470 IonicContact OE1-CZ 3.78Å; E467-R470 IonicContact OE1-NH2 3.01Å; E467-R470 PolarHBondContact OE1-NH2 3.42Å; E467-R470 IonicContact OE2-NH2 2.82Å; E467-N471 WeakPolarHBondContact CG-ND2 3.25Å; E467-N471 VanDerWaalsContact O-CB 3.27Å; E467-N471 WeakPolarHBondContact O-CB 3.44Å; E467-N471 VanDerWaalsContact O-CG 3.27Å; E467-N471 PolarHBondContact O-N 3.38Å; E467-N471 PolarHBondContact O-ND2 2.98Å; E467-N471 VanDerWaalsContact O-ND2 3.15Å
468E71.9Confident72.8Confident145 Ų145107.5 Ų107.568%0.67853%0.532SS*.Hα-helixtrans-65.6-45.1176.2-169170.7-139.700111.8D464 M465 N471 K472D464-E468 WeakPolarHBondContact O-CB 3.26Å; D464-E468 PolarHBondContact O-N 2.87Å; M465-E468 PolarHBondContact O-N 2.89Å; E468-N471 PolarHBondContact O-N 2.98Å; E468-K472 VanDerWaalsContact O-CB 3.28Å; E468-K472 WeakPolarHBondContact O-CB 3.37Å; E468-K472 PolarHBondContact O-N 3.48Å
469E71.1Confident73Confident147 Ų147111.4 Ų111.469%0.68754%0.54SS*.Hα-helixtrans-62.1-44.5174-71.9-157.7145.900112.2M465 N471 K472 A473M465-E469 PolarHBondContact O-N 2.89Å; E469-N471 PolarHBondContact O-N 3.28Å; E469-K472 WeakPolarHBondContact O-CB 3.35Å; E469-K472 PolarHBondContact O-N 3.33Å; E469-A473 WeakPolarHBondContact O-CB 3.47Å; E469-A473 PolarHBondContact O-N 3.05Å
470R68.9Low73.4Confident149 Ų149112.8 Ų112.856%0.56254%0.537SS*.Hα-helixtrans-60.7-43.1176.4-179.2-17770.4-171.70.7112.1E466 E467 R474E466-R470 WeakPolarHBondContact O-CB 3.5Å; E466-R470 PolarHBondContact O-N 3.41Å; E467-R470 PolarHBondContact O-N 2.71Å; E467-R470 IonicContact OE1-CZ 3.78Å; E467-R470 IonicContact OE1-NH2 3.01Å; E467-R470 PolarHBondContact OE1-NH2 3.42Å; E467-R470 IonicContact OE2-NH2 2.82Å; R470-R474 WeakPolarHBondContact O-CB 3.37Å; R470-R474 PolarHBondContact O-N 2.88Å
471N74.4Confident73.7Confident73 Ų73114.6 Ų114.639%0.3955%0.546SS..Hα-helixtrans-68.4-37177.9-77.5-32.5000111.7E467 E468 E469 R474 A475E467-N471 WeakPolarHBondContact CG-ND2 3.25Å; E467-N471 VanDerWaalsContact O-CB 3.27Å; E467-N471 WeakPolarHBondContact O-CB 3.44Å; E467-N471 VanDerWaalsContact O-CG 3.27Å; E467-N471 PolarHBondContact O-N 3.38Å; E467-N471 PolarHBondContact O-ND2 2.98Å; E467-N471 VanDerWaalsContact O-ND2 3.15Å; E468-N471 PolarHBondContact O-N 2.98Å; E469-N471 PolarHBondContact O-N 3.28Å; N471-R474 PolarHBondContact O-N 3.1Å; N471-A475 WeakPolarHBondContact O-CB 3.47Å; N471-A475 PolarHBondContact O-N 2.83Å
472K79.6Confident74.1Confident158 Ų158117 Ų11769%0.68755%0.55SS**Hα-helixtrans-64.3-45.8174.5-168178-175179.70111.9E468 E469 R474 A475 E476E468-K472 VanDerWaalsContact O-CB 3.28Å; E468-K472 WeakPolarHBondContact O-CB 3.37Å; E468-K472 PolarHBondContact O-N 3.48Å; E469-K472 WeakPolarHBondContact O-CB 3.35Å; E469-K472 PolarHBondContact O-N 3.33Å; K472-R474 PolarHBondContact O-N 3.4Å; K472-A475 PolarHBondContact O-N 3.27Å; K472-E476 PolarHBondContact O-N 3.47Å
473A71.9Confident74.3Confident53 Ų53115.1 Ų115.144%0.43855%0.547SS..Hα-helixtrans-62-41.717400000112.1E469 E476 L477E469-A473 WeakPolarHBondContact O-CB 3.47Å; E469-A473 PolarHBondContact O-N 3.05Å; A473-E476 PolarHBondContact O-N 2.92Å; A473-L477 WeakPolarHBondContact O-CG 3.19Å; A473-L477 PolarHBondContact O-N 3.37Å
474R76.1Confident74.3Confident174 Ų174115.1 Ų115.166%0.65755%0.547SS*.Hα-helixtrans-62.6-42175.4-172.7178.7-178-179.21.8112.3R470 N471 K472 E476 L477 E478R470-R474 WeakPolarHBondContact O-CB 3.37Å; R470-R474 PolarHBondContact O-N 2.88Å; N471-R474 PolarHBondContact O-N 3.1Å; K472-R474 PolarHBondContact O-N 3.4Å; R474-E476 VanDerWaalsContact C-N 3.35Å; R474-L477 PolarHBondContact O-N 3.04Å; R474-E478 PolarHBondContact O-N 2.99Å
475A77.6Confident74.8Confident57 Ų57114.7 Ų114.747%0.47154%0.544SS..Hα-helixtrans-65.7-35.5176.700000112.5N471 K472 K479N471-A475 WeakPolarHBondContact O-CB 3.47Å; N471-A475 PolarHBondContact O-N 2.83Å; K472-A475 PolarHBondContact O-N 3.27Å; A475-K479 WeakPolarHBondContact O-CB 3.48Å; A475-K479 PolarHBondContact O-N 2.83Å
476E77.3Confident75.4Confident101 Ų101114.7 Ų114.747%0.47254%0.541SS..Hα-helixtrans-69-37.1174.4-160.5-176.1128.800112.1K472 A473 R474 R480K472-E476 PolarHBondContact O-N 3.47Å; A473-E476 PolarHBondContact O-N 2.92Å; R474-E476 VanDerWaalsContact C-N 3.35Å; E476-R480 PolarHBondContact O-N 3.03Å; E476-R480 IonicContact OE1-CZ 2.67Å; E476-R480 IonicContact OE1-NH1 3.34Å; E476-R480 PolarHBondContact OE1-NH1 2.93Å; E476-R480 IonicContact OE1-NH2 3.4Å; E476-R480 PolarHBondContact OE1-NH2 3.38Å
477L71.6Confident75.6Confident113 Ų113111 Ų11159%0.59253%0.532SS*.Hα-helixtrans-66.5-47.8173.3-73.1170.2000112.2A473 R474 K479 R480 E481A473-L477 WeakPolarHBondContact O-CG 3.19Å; A473-L477 PolarHBondContact O-N 3.37Å; R474-L477 PolarHBondContact O-N 3.04Å; L477-K479 PolarHBondContact O-N 3.48Å; L477-R480 PolarHBondContact O-N 3.21Å; L477-R480 VanDerWaalsContact O-N 3.11Å; L477-E481 PolarHBondContact O-N 2.76Å
478E79.4Confident75.7Confident92 Ų92112.6 Ų112.643%0.4354%0.539SS..Hα-helixtrans-61.7-33.3177-168.1-171.5152.800111.6R474 K482R474-E478 PolarHBondContact O-N 2.99Å; E478-K482 WeakPolarHBondContact O-CG 3.41Å; E478-K482 PolarHBondContact O-N 2.85Å; E478-K482 VanDerWaalsContact O-N 3.11Å; E478-K482 VanDerWaalsContact OE1-CE 3.31Å; E478-K482 WeakPolarHBondContact OE1-CE 3.41Å; E478-K482 IonicContact OE1-NZ 2.59Å; E478-K482 PolarHBondContact OE1-NZ 2.88Å
479K81.5Confident76Confident134 Ų134111.4 Ų111.458%0.58353%0.534SS*.Hα-helixtrans-66.1-49.9171.2-171.9-173.6172.1-169.90111.6A475 L477 E481 K482 D483A475-K479 WeakPolarHBondContact O-CB 3.48Å; A475-K479 PolarHBondContact O-N 2.83Å; L477-K479 PolarHBondContact O-N 3.48Å; K479-E481 VanDerWaalsContact C-N 3.26Å; K479-E481 PolarHBondContact O-N 3.38Å; K479-K482 PolarHBondContact O-N 3.44Å; K479-D483 PolarHBondContact O-N 3.46Å
480R75.5Confident76.3Confident137 Ų137109.1 Ų109.152%0.51752%0.523SS..Hα-helixtrans-57.6-38.7176.3-79.3-164.7-177.983.78.1112.3E476 L477 D483 L484E476-R480 PolarHBondContact O-N 3.03Å; E476-R480 IonicContact OE1-CZ 2.67Å; E476-R480 IonicContact OE1-NH1 3.34Å; E476-R480 PolarHBondContact OE1-NH1 2.93Å; E476-R480 IonicContact OE1-NH2 3.4Å; E476-R480 PolarHBondContact OE1-NH2 3.38Å; L477-R480 PolarHBondContact O-N 3.21Å; L477-R480 VanDerWaalsContact O-N 3.11Å; R480-D483 PolarHBondContact O-N 2.88Å; R480-L484 WeakPolarHBondContact O-CB 3.19Å; R480-L484 PolarHBondContact O-N 2.89Å
481E74.1Confident76.5Confident131 Ų131107.7 Ų107.761%0.61252%0.523SS*.Hα-helixtrans-64.3-44.4177.2-173.9173.8-153.700111.7L477 K479 L484 L485L477-E481 PolarHBondContact O-N 2.76Å; K479-E481 VanDerWaalsContact C-N 3.26Å; K479-E481 PolarHBondContact O-N 3.38Å; E481-L484 PolarHBondContact O-N 2.82Å; E481-L485 WeakPolarHBondContact O-CB 3.47Å; E481-L485 PolarHBondContact O-N 3.27Å
482K81.1Confident76.4Confident119 Ų119110.1 Ų110.152%0.51753%0.532SS..Hα-helixtrans-65.1-40.7174.7-72.7170.4-172.8169.20112.7E478 K479 L485 K486E478-K482 WeakPolarHBondContact O-CG 3.41Å; E478-K482 PolarHBondContact O-N 2.85Å; E478-K482 VanDerWaalsContact O-N 3.11Å; E478-K482 VanDerWaalsContact OE1-CE 3.31Å; E478-K482 WeakPolarHBondContact OE1-CE 3.41Å; E478-K482 IonicContact OE1-NZ 2.59Å; E478-K482 PolarHBondContact OE1-NZ 2.88Å; K479-K482 PolarHBondContact O-N 3.44Å; K482-L485 PolarHBondContact O-N 3.42Å; K482-K486 VanDerWaalsContact O-CB 3.3Å; K482-K486 WeakPolarHBondContact O-CB 3.41Å; K482-K486 PolarHBondContact O-N 2.91Å
483D76.2Confident76.3Confident87 Ų87104.6 Ų104.647%0.46551%0.513SS..Hα-helixtrans-64.9-39.7176.3-70.1-26.4000110.8K479 R480 A487K479-D483 PolarHBondContact O-N 3.46Å; R480-D483 PolarHBondContact O-N 2.88Å; D483-A487 WeakPolarHBondContact O-CB 3.41Å; D483-A487 PolarHBondContact O-N 3.32Å
484L72.1Confident76.6Confident111 Ų111107.2 Ų107.258%0.58152%0.519SS*.Hα-helixtrans-64.6-47.1172.7-102.6167.6000113R480 E481 K486 A487 Q488R480-L484 WeakPolarHBondContact O-CB 3.19Å; R480-L484 PolarHBondContact O-N 2.89Å; E481-L484 PolarHBondContact O-N 2.82Å; L484-K486 VanDerWaalsContact C-N 3.3Å; L484-K486 PolarHBondContact O-N 2.85Å; L484-A487 WeakPolarHBondContact O-CB 3.3Å; L484-A487 PolarHBondContact O-N 3.24Å; L484-Q488 WeakPolarHBondContact O-CG 3.36Å; L484-Q488 PolarHBondContact O-N 2.9Å
485L80.8Confident76.4Confident91 Ų91103.5 Ų103.548%0.47651%0.512SS..Hα-helixtrans-67-34.8-178.6-166.7150.6000111E481 K482 Q488 Q489E481-L485 WeakPolarHBondContact O-CB 3.47Å; E481-L485 PolarHBondContact O-N 3.27Å; K482-L485 PolarHBondContact O-N 3.42Å; L485-Q488 PolarHBondContact O-N 3.32Å; L485-Q489 HydrophobicContact CD2-CG 4.32Å; L485-Q489 WeakPolarHBondContact O-CG 3.5Å; L485-Q489 PolarHBondContact O-N 3.01Å
486K82.5Confident76.3Confident115 Ų115107.1 Ų107.150%0.552%0.519SS..Hα-helixtrans-64.5-44.8170-170.1176.6-176.4-90.60111.9K482 L484 Q488 Q489 E490K482-K486 VanDerWaalsContact O-CB 3.3Å; K482-K486 WeakPolarHBondContact O-CB 3.41Å; K482-K486 PolarHBondContact O-N 2.91Å; L484-K486 VanDerWaalsContact C-N 3.3Å; L484-K486 PolarHBondContact O-N 2.85Å; K486-Q488 VanDerWaalsContact C-N 3.3Å; K486-Q488 PolarHBondContact O-N 3.35Å; K486-Q489 PolarHBondContact O-N 3.25Å; K486-E490 WeakPolarHBondContact CE-OE1 3.28Å; K486-E490 IonicContact NZ-OE1 3.53Å; K486-E490 PolarHBondContact NZ-OE1 2.81Å; K486-E490 WeakPolarHBondContact O-CB 3.45Å; K486-E490 WeakPolarHBondContact O-CG 3.46Å; K486-E490 PolarHBondContact O-N 2.83Å
487A73.9Confident76.2Confident52 Ų52107.8 Ų107.843%0.4352%0.52SS..Hα-helixtrans-62-36.8175.200000112.4D483 L484 E490 H491D483-A487 WeakPolarHBondContact O-CB 3.41Å; D483-A487 PolarHBondContact O-N 3.32Å; L484-A487 WeakPolarHBondContact O-CB 3.3Å; L484-A487 PolarHBondContact O-N 3.24Å; A487-E490 PolarHBondContact O-N 3.27Å; A487-H491 WeakPolarHBondContact O-CB 3.27Å; A487-H491 PolarHBondContact O-N 2.86Å
488Q72.6Confident76Confident125 Ų125107 Ų10758%0.58452%0.516SS*.Hα-helixtrans-65.4-43.7172.3-73.5-180-5.800112.2L484 L485 K486 H491 Q492L484-Q488 WeakPolarHBondContact O-CG 3.36Å; L484-Q488 PolarHBondContact O-N 2.9Å; L485-Q488 PolarHBondContact O-N 3.32Å; K486-Q488 VanDerWaalsContact C-N 3.3Å; K486-Q488 PolarHBondContact O-N 3.35Å; Q488-H491 PolarHBondContact O-N 2.88Å; Q488-Q492 WeakPolarHBondContact O-CB 3.49Å; Q488-Q492 PolarHBondContact O-N 3.01Å
489Q78.2Confident75.6Confident120 Ų120104.2 Ų104.256%0.56151%0.507SS*.Hα-helixtrans-63.9-39.2174.8-74.6-179.4-5.500112.5L485 K486 Q492 S493L485-Q489 HydrophobicContact CD2-CG 4.32Å; L485-Q489 WeakPolarHBondContact O-CG 3.5Å; L485-Q489 PolarHBondContact O-N 3.01Å; K486-Q489 PolarHBondContact O-N 3.25Å; Q489-Q492 PolarHBondContact O-N 3.02Å; Q489-S493 VanDerWaalsContact O-CB 3.29Å; Q489-S493 WeakPolarHBondContact O-CB 3.25Å; Q489-S493 PolarHBondContact O-N 3.33Å
490E77.3Confident75.1Confident100 Ų100100.2 Ų100.247%0.46750%0.499SS..Hα-helixtrans-65.8-43175-73.3174.7-170.400111.2K486 A487 S493 L494K486-E490 WeakPolarHBondContact CE-OE1 3.28Å; K486-E490 IonicContact NZ-OE1 3.53Å; K486-E490 PolarHBondContact NZ-OE1 2.81Å; K486-E490 WeakPolarHBondContact O-CB 3.45Å; K486-E490 WeakPolarHBondContact O-CG 3.46Å; K486-E490 PolarHBondContact O-N 2.83Å; A487-E490 PolarHBondContact O-N 3.27Å; E490-S493 PolarHBondContact O-N 3.18Å; E490-L494 WeakPolarHBondContact O-CG 3.01Å; E490-L494 PolarHBondContact O-N 3Å
491H72.1Confident74.3Confident119 Ų11999 Ų9955%0.55150%0.502SS*.Hα-helixtrans-63.2-42.8173.5-176.713.5000112.5A487 Q488 L494 L495A487-H491 WeakPolarHBondContact O-CB 3.27Å; A487-H491 PolarHBondContact O-N 2.86Å; Q488-H491 PolarHBondContact O-N 2.88Å; H491-L494 WeakPolarHBondContact O-CB 3.33Å; H491-L494 PolarHBondContact O-N 3.02Å; H491-L495 PolarHBondContact O-N 2.87Å
492Q74.1Confident73.5Confident124 Ų12497.9 Ų97.958%0.57950%0.497SS*.Hα-helixtrans-67.1-39.4178.2-167.5168.114.200111.3Q488 Q489 L494 L495 E496Q488-Q492 WeakPolarHBondContact O-CB 3.49Å; Q488-Q492 PolarHBondContact O-N 3.01Å; Q489-Q492 PolarHBondContact O-N 3.02Å; Q492-L494 VanDerWaalsContact C-N 3.31Å; Q492-L494 PolarHBondContact O-N 3.23Å; Q492-L495 PolarHBondContact O-N 3.33Å; Q492-E496 PolarHBondContact O-N 3.22Å
493S77.5Confident72.4Confident42 Ų4299.4 Ų99.429%0.29450%0.503SS..Hα-helixtrans-63.7-35171.7-172.20000112.5Q489 E490 K497Q489-S493 VanDerWaalsContact O-CB 3.29Å; Q489-S493 WeakPolarHBondContact O-CB 3.25Å; Q489-S493 PolarHBondContact O-N 3.33Å; E490-S493 PolarHBondContact O-N 3.18Å; S493-K497 WeakPolarHBondContact O-CB 3.38Å; S493-K497 VanDerWaalsContact O-CD 3.27Å; S493-K497 WeakPolarHBondContact O-CD 3.29Å; S493-K497 WeakPolarHBondContact O-CG 3.49Å; S493-K497 PolarHBondContact O-N 2.94Å; S493-K497 PolarHBondContact OG-NZ 2.92Å
494L76.3Confident71.6Confident107 Ų107103 Ų10356%0.5652%0.515SS*.Hα-helixtrans-68.1-41.2172.4-74.1167.3000111.8E490 H491 Q492 K497 L498E490-L494 WeakPolarHBondContact O-CG 3.01Å; E490-L494 PolarHBondContact O-N 3Å; H491-L494 WeakPolarHBondContact O-CB 3.33Å; H491-L494 PolarHBondContact O-N 3.02Å; Q492-L494 VanDerWaalsContact C-N 3.31Å; Q492-L494 PolarHBondContact O-N 3.23Å; L494-K497 PolarHBondContact O-N 3.33Å; L494-L498 WeakPolarHBondContact O-CB 3.43Å; L494-L498 PolarHBondContact O-N 2.89Å
495L72.8Confident70.8Confident96 Ų96103.2 Ų103.250%0.50352%0.521SS..Hα-helixtrans-62.5-41.3173.8-82.4163000112.6H491 Q492 L498 S499H491-L495 PolarHBondContact O-N 2.87Å; Q492-L495 PolarHBondContact O-N 3.33Å; L495-L498 PolarHBondContact O-N 2.86Å; L495-S499 PolarHBondContact O-N 3.41Å
496E75.6Confident69.5Low134 Ų134105.4 Ų105.463%0.62653%0.531SS*.Hα-helixtrans-64.2-41.9173.7-73.7-174155.400112.1Q492 L498 S499 A500Q492-E496 PolarHBondContact O-N 3.22Å; E496-L498 VanDerWaalsContact C-N 3.34Å; E496-S499 PolarHBondContact O-N 2.69Å; E496-A500 VanDerWaalsContact O-CB 3.24Å; E496-A500 WeakPolarHBondContact O-CB 3.22Å; E496-A500 PolarHBondContact O-N 2.8Å
497K75.8Confident67.8Low114 Ų114106 Ų10650%0.49654%0.544SS..Hα-helixtrans-62.4-40.5173.7-73.5160.2-175.11420111.7S493 L494 A500 L501S493-K497 WeakPolarHBondContact O-CB 3.38Å; S493-K497 VanDerWaalsContact O-CD 3.27Å; S493-K497 WeakPolarHBondContact O-CD 3.29Å; S493-K497 WeakPolarHBondContact O-CG 3.49Å; S493-K497 PolarHBondContact O-N 2.94Å; S493-K497 PolarHBondContact OG-NZ 2.92Å; L494-K497 PolarHBondContact O-N 3.33Å; K497-A500 PolarHBondContact O-N 2.88Å; K497-L501 VanDerWaalsContact O-CG 3.3Å; K497-L501 WeakPolarHBondContact O-CG 3.23Å; K497-L501 PolarHBondContact O-N 2.73Å
498L67.5Low66.4Low97 Ų97106.8 Ų106.851%0.50856%0.558SS.*Hα-helixtrans-66.3-46.9178.2-151.6162.7000110.3L494 L495 E496 A500 L501 E502L494-L498 WeakPolarHBondContact O-CB 3.43Å; L494-L498 PolarHBondContact O-N 2.89Å; L495-L498 PolarHBondContact O-N 2.86Å; E496-L498 VanDerWaalsContact C-N 3.34Å; L498-A500 VanDerWaalsContact C-N 3.3Å; L498-A500 PolarHBondContact O-N 2.81Å; L498-L501 WeakPolarHBondContact O-CA 3.36Å; L498-L501 WeakPolarHBondContact O-CB 3.32Å; L498-L501 PolarHBondContact O-N 2.77Å; L498-E502 HydrophobicContact CD2-CG 4.01Å; L498-E502 WeakPolarHBondContact O-CG 3.42Å; L498-E502 PolarHBondContact O-N 3.32Å
499S71.3Confident65.1Low34 Ų34104.5 Ų104.524%0.23857%0.568CS.*Hα-helixtrans-62.5-34.5173.5-1670000113.1L495 E496 L501 K503L495-S499 PolarHBondContact O-N 3.41Å; E496-S499 PolarHBondContact O-N 2.69Å; S499-L501 VanDerWaalsContact C-N 3.32Å; S499-K503 WeakPolarHBondContact O-CB 3.37Å; S499-K503 WeakPolarHBondContact O-CD 3.27Å; S499-K503 VanDerWaalsContact O-CG 3.31Å; S499-K503 WeakPolarHBondContact O-CG 3.24Å; S499-K503 PolarHBondContact O-N 2.83Å; S499-K503 PolarHBondContact OG-NZ 2.89Å
500A70Confident63.9Low50 Ų50106.2 Ų106.241%0.41359%0.586SS.*Hα-helixtrans-73.7-21.7174.500000113.4E496 K497 L498 K504E496-A500 VanDerWaalsContact O-CB 3.24Å; E496-A500 WeakPolarHBondContact O-CB 3.22Å; E496-A500 PolarHBondContact O-N 2.8Å; K497-A500 PolarHBondContact O-N 2.88Å; L498-A500 VanDerWaalsContact C-N 3.3Å; L498-A500 PolarHBondContact O-N 2.81Å; A500-K504 WeakPolarHBondContact O-CD 3.42Å; A500-K504 VanDerWaalsContact O-CG 3.32Å; A500-K504 WeakPolarHBondContact O-CG 3.43Å
501L59.6Low62.9Low110 Ų110108.7 Ų108.758%0.57660%0.602SS**Hα-helixtrans-80-48.8169.8-74.7164.2000110.6K497 L498 S499 K503 K504 V505K497-L501 VanDerWaalsContact O-CG 3.3Å; K497-L501 WeakPolarHBondContact O-CG 3.23Å; K497-L501 PolarHBondContact O-N 2.73Å; L498-L501 WeakPolarHBondContact O-CA 3.36Å; L498-L501 WeakPolarHBondContact O-CB 3.32Å; L498-L501 PolarHBondContact O-N 2.77Å; S499-L501 VanDerWaalsContact C-N 3.32Å; L501-K503 VanDerWaalsContact C-N 3.33Å; L501-K503 PolarHBondContact O-N 3.36Å; L501-K504 CarbonylContact O-C 3.42Å; L501-K504 WeakPolarHBondContact O-CA 3.39Å; L501-K504 WeakPolarHBondContact O-CB 3.43Å; L501-K504 PolarHBondContact O-N 2.9Å; L501-V505 WeakPolarHBondContact O-CG2 3.28Å; L501-V505 PolarHBondContact O-N 3.44Å
502E56.7Low62Low109 Ų109109.3 Ų109.351%0.50961%0.609SS.*Hα-helixtrans-53.1-48.7174.5-70.6176.2134.100111.8L498 K504 V505 I506L498-E502 HydrophobicContact CD2-CG 4.01Å; L498-E502 WeakPolarHBondContact O-CG 3.42Å; L498-E502 PolarHBondContact O-N 3.32Å; E502-K504 PolarHBondContact O-N 2.91Å; E502-K504 VanDerWaalsContact O-N 3.17Å; E502-V505 PolarHBondContact O-N 2.76Å; E502-V505 VanDerWaalsContact O-N 3.09Å; E502-I506 WeakPolarHBondContact O-CG1 3.3Å; E502-I506 PolarHBondContact O-N 2.91Å; E502-I506 VanDerWaalsContact O-N 3.08Å
503K58.4Low61.2Low150 Ų150110.5 Ų110.565%0.65262%0.619SS**Hα-helixtrans-66.2-14.3177.5-73.1167.7-178.8148.20114.1S499 L501S499-K503 WeakPolarHBondContact O-CB 3.37Å; S499-K503 WeakPolarHBondContact O-CD 3.27Å; S499-K503 VanDerWaalsContact O-CG 3.31Å; S499-K503 WeakPolarHBondContact O-CG 3.24Å; S499-K503 PolarHBondContact O-N 2.83Å; S499-K503 PolarHBondContact OG-NZ 2.89Å; L501-K503 VanDerWaalsContact C-N 3.33Å; L501-K503 PolarHBondContact O-N 3.36Å
504K58.7Low60.4Low163 Ų163112.1 Ų112.171%0.70964%0.635SS**Hα-helixtrans-94-29.5170.4-77.1177.2177.4179.10112.9A500 L501 E502 I506A500-K504 WeakPolarHBondContact O-CD 3.42Å; A500-K504 VanDerWaalsContact O-CG 3.32Å; A500-K504 WeakPolarHBondContact O-CG 3.43Å; L501-K504 CarbonylContact O-C 3.42Å; L501-K504 WeakPolarHBondContact O-CA 3.39Å; L501-K504 WeakPolarHBondContact O-CB 3.43Å; L501-K504 PolarHBondContact O-N 2.9Å; E502-K504 PolarHBondContact O-N 2.91Å; E502-K504 VanDerWaalsContact O-N 3.17Å; K504-I506 VanDerWaalsContact C-N 3.35Å
505V55.9Low59.6Low116 Ų116114 Ų11470%0.70364%0.638SS**Hα-helixtrans-73.9-26.3177.2170.50000112.1L501 E502 V507L501-V505 WeakPolarHBondContact O-CG2 3.28Å; L501-V505 PolarHBondContact O-N 3.44Å; E502-V505 PolarHBondContact O-N 2.76Å; E502-V505 VanDerWaalsContact O-N 3.09Å; V505-V507 PolarHBondContact O-N 3.27Å
506I52.7Low59Low137 Ų137111.9 Ų111.970%0.70364%0.635SS**THydrogen-bonded Turntrans-70.2-9.2179.6-74.4163.2000114.1E502 K504E502-I506 WeakPolarHBondContact O-CG1 3.3Å; E502-I506 PolarHBondContact O-N 2.91Å; E502-I506 VanDerWaalsContact O-N 3.08Å; K504-I506 VanDerWaalsContact C-N 3.35Å
507V47.4Very low58.7Low126 Ų126111.8 Ų111.876%0.76464%0.635SS**SBendtrans-13476.9178.9-167.90000112.6V505V505-V507 PolarHBondContact O-N 3.27Å
508G43.9Very low58.4Low70 Ų70113.2 Ų113.272%0.72264%0.643SS**SBendtrans152.9107.8157.400000118.1
509G46Very low58.4Low77 Ų77115.1 Ų115.179%0.79465%0.649SS**  trans69.983.9136.400000119.1D511G509-D511 PolarHBondContact O-N 2.93Å
510V51.8Low58.3Low155 Ų155119.6 Ų119.694%0.93967%0.666SS**  trans-18.8105151.8-175.30000115.5
511D57.4Low58.7Low152 Ų152123.4 Ų123.481%0.81367%0.674SS**  trans-172.970.7131.2-165.918.2000111G509G509-D511 PolarHBondContact O-N 2.93Å
512L51.8Low59.7Low132 Ų132123.8 Ų123.869%0.69168%0.676SS**  trans-139.41.3-170.3-100.3172.8000116.7K515L512-K515 HydrophobicContact CD2-CB 4.34Å; L512-K515 PolarHBondContact O-N 3.35Å
513L58.1Low60.5Low149 Ų149123.8 Ų123.878%0.7868%0.679SS**Hα-helixtrans-64.8-50.3-172.6-153.977.8000112.4K515 A516L513-K515 PolarHBondContact O-N 2.87Å; L513-A516 PolarHBondContact O-N 2.74Å; L513-A516 VanDerWaalsContact O-N 3.15Å
514A60.5Low61.4Low77 Ų77122.7 Ų122.764%0.63668%0.676SS**Hα-helixtrans-65-12.8-175.300000114.8
515K60.4Low62.5Low145 Ų145120.6 Ų120.663%0.6367%0.669SS**Hα-helixtrans-98.5-11.2-179.6-153.4169.8-172.5173.80113.5L512 L513L512-K515 HydrophobicContact CD2-CB 4.34Å; L512-K515 PolarHBondContact O-N 3.35Å; L513-K515 PolarHBondContact O-N 2.87Å
516A60.8Low63.5Low52 Ų52118.6 Ų118.643%0.4366%0.659SS.*Hα-helixtrans-77.5-46.6171.900000111.1L513 E518 Q519 E520L513-A516 PolarHBondContact O-N 2.74Å; L513-A516 VanDerWaalsContact O-N 3.15Å; A516-E518 VanDerWaalsContact C-N 3.34Å; A516-E518 PolarHBondContact O-N 3.39Å; A516-Q519 PolarHBondContact O-N 3.49Å; A516-E520 PolarHBondContact O-N 3.47Å
517E67.7Low64.5Low133 Ų133116.6 Ų116.662%0.62165%0.65SS**Hα-helixtrans-56.7-40.3-176.8-70.4179.8118.200113.3Q519 K521E517-Q519 VanDerWaalsContact C-N 3.33Å; E517-Q519 PolarHBondContact O-N 2.92Å; E517-K521 PolarHBondContact O-N 2.89Å; E517-K521 VanDerWaalsContact O-N 3.17Å
518E70.6Confident66.2Low143 Ų143117.1 Ų117.167%0.66865%0.646SS**Hα-helixtrans-65.6-32.9176.4-73.4-165.8138.100113.2A516A516-E518 VanDerWaalsContact C-N 3.34Å; A516-E518 PolarHBondContact O-N 3.39Å
519Q65.9Low68Low137 Ų137118.1 Ų118.164%0.6463%0.632SS**Hα-helixtrans-80.2-37.7178.8-63.4-161.3-6200112.1A516 E517 L522 L523A516-Q519 PolarHBondContact O-N 3.49Å; E517-Q519 VanDerWaalsContact C-N 3.33Å; E517-Q519 PolarHBondContact O-N 2.92Å; Q519-L522 PolarHBondContact O-N 3.06Å; Q519-L523 PolarHBondContact O-N 2.85Å
520E70.9Confident69.5Low128 Ų128120.1 Ų120.160%0.59862%0.624SS**Hα-helixtrans-60.4-45.5177-171.5162.3-151.400111A516 L522 L523 E524A516-E520 PolarHBondContact O-N 3.47Å; E520-L522 PolarHBondContact O-N 3.29Å; E520-L523 WeakPolarHBondContact O-CB 3.49Å; E520-L523 PolarHBondContact O-N 3.42Å; E520-L523 VanDerWaalsContact O-N 3.13Å; E520-E524 PolarHBondContact O-N 3.41Å
521K78.4Confident70.9Confident131 Ų131117.8 Ų117.857%0.5760%0.603SS**Hα-helixtrans-64.2-39.3179.6-166.1175.3-176.7-179.80114.1E517 L523 E524 E525E517-K521 PolarHBondContact O-N 2.89Å; E517-K521 VanDerWaalsContact O-N 3.17Å; K521-L523 VanDerWaalsContact C-N 3.28Å; K521-L523 PolarHBondContact O-N 3.44Å; K521-E524 PolarHBondContact O-N 3.47Å; K521-E525 PolarHBondContact O-N 3.07Å; K521-E525 VanDerWaalsContact O-N 3.12Å
522L79.2Confident72.2Confident118 Ų118115.1 Ų115.162%0.61859%0.585SS**Hα-helixtrans-67.2-29.9175-77.2167.8000112.4Q519 E520 S526Q519-L522 PolarHBondContact O-N 3.06Å; E520-L522 PolarHBondContact O-N 3.29Å; L522-S526 PolarHBondContact O-N 3.23Å
523L73.3Confident73.6Confident109 Ų109116 Ų11657%0.57158%0.579SS**Hα-helixtrans-72.1-38.8173-78.9162.9000111.9Q519 E520 K521 S526 N527Q519-L523 PolarHBondContact O-N 2.85Å; E520-L523 WeakPolarHBondContact O-CB 3.49Å; E520-L523 PolarHBondContact O-N 3.42Å; E520-L523 VanDerWaalsContact O-N 3.13Å; K521-L523 VanDerWaalsContact C-N 3.28Å; K521-L523 PolarHBondContact O-N 3.44Å; L523-S526 PolarHBondContact O-N 2.95Å; L523-N527 VanDerWaalsContact O-CB 3.31Å; L523-N527 WeakPolarHBondContact O-CB 3.43Å; L523-N527 VanDerWaalsContact O-CG 3.23Å; L523-N527 PolarHBondContact O-N 2.9Å; L523-N527 PolarHBondContact O-ND2 3.46Å; L523-N527 VanDerWaalsContact O-ND2 3.17Å
524E78.9Confident74.6Confident127 Ų127116.8 Ų116.859%0.59357%0.572SS**Hα-helixtrans-60.2-48.8172.9-70.2-166.1123.900112.1E520 K521 S526 N527 M528E520-E524 PolarHBondContact O-N 3.41Å; K521-E524 PolarHBondContact O-N 3.47Å; E524-S526 VanDerWaalsContact C-N 3.32Å; E524-S526 PolarHBondContact O-N 3.1Å; E524-N527 PolarHBondContact O-N 3.24Å; E524-M528 WeakPolarHBondContact O-CB 3.37Å; E524-M528 VanDerWaalsContact O-CG 3.26Å; E524-M528 WeakPolarHBondContact O-CG 3.45Å; E524-M528 PolarHBondContact O-N 2.98Å
525E81.6Confident75.8Confident119 Ų119118.9 Ų118.956%0.55657%0.567SS**Hα-helixtrans-60.2-40.5178.9-71.6179.4-17400111.9K521 E529K521-E525 PolarHBondContact O-N 3.07Å; K521-E525 VanDerWaalsContact O-N 3.12Å; E525-E529 PolarHBondContact O-N 3.08Å
526S76.2Confident77Confident73 Ų73118.1 Ų118.151%0.5156%0.56SS.*Hα-helixtrans-71.3-38.8177-1710000113.1L522 L523 E524 E529 L530L522-S526 PolarHBondContact O-N 3.23Å; L523-S526 PolarHBondContact O-N 2.95Å; E524-S526 VanDerWaalsContact C-N 3.32Å; E524-S526 PolarHBondContact O-N 3.1Å; S526-E529 PolarHBondContact O-N 2.99Å; S526-L530 PolarHBondContact O-N 3.17Å; S526-L530 VanDerWaalsContact O-N 3.08Å
527N74.4Confident77.7Confident96 Ų96118.4 Ų118.451%0.51356%0.562SS.*Hα-helixtrans-64.7-39.7175.9-77.9-30.2000111.8L523 E524 L530 E531L523-N527 VanDerWaalsContact O-CB 3.31Å; L523-N527 WeakPolarHBondContact O-CB 3.43Å; L523-N527 VanDerWaalsContact O-CG 3.23Å; L523-N527 PolarHBondContact O-N 2.9Å; L523-N527 PolarHBondContact O-ND2 3.46Å; L523-N527 VanDerWaalsContact O-ND2 3.17Å; E524-N527 PolarHBondContact O-N 3.24Å; N527-L530 PolarHBondContact O-N 2.83Å; N527-E531 PolarHBondContact O-N 3.47Å
528M81.8Confident78.4Confident137 Ų137117.1 Ų117.168%0.67556%0.556SS**Hα-helixtrans-58.7-46.3175-76.2-89.5-77.600111.9E524 L530 E531 E532E524-M528 WeakPolarHBondContact O-CB 3.37Å; E524-M528 VanDerWaalsContact O-CG 3.26Å; E524-M528 WeakPolarHBondContact O-CG 3.45Å; E524-M528 PolarHBondContact O-N 2.98Å; M528-L530 VanDerWaalsContact C-N 3.34Å; M528-L530 PolarHBondContact O-N 2.69Å; M528-E531 PolarHBondContact O-N 2.65Å; M528-E532 PolarHBondContact O-N 3.5Å
529E83.3Confident79.2Confident91 Ų91116 Ų11643%0.42555%0.551SS.*Hα-helixtrans-66.4-37.2177.3-150-145.7148.700112E525 S526 E532 R533E525-E529 PolarHBondContact O-N 3.08Å; S526-E529 PolarHBondContact O-N 2.99Å; E529-E532 PolarHBondContact O-N 2.66Å; E529-R533 WeakPolarHBondContact O-CG 3.46Å; E529-R533 PolarHBondContact O-N 3.41Å; E529-R533 IonicContact OE1-CZ 3.34Å; E529-R533 IonicContact OE1-NE 2.66Å; E529-R533 PolarHBondContact OE1-NE 3.42Å; E529-R533 IonicContact OE1-NH2 3.37Å; E529-R533 PolarHBondContact OE1-NH2 3.13Å; E529-R533 IonicContact OE2-NH2 3.5Å
530L76.4Confident80.1Confident118 Ų118115 Ų11562%0.61855%0.549SS*.Hα-helixtrans-64.3-41.9176.7-157.783.3000111.5S526 N527 M528 R533 R534S526-L530 PolarHBondContact O-N 3.17Å; S526-L530 VanDerWaalsContact O-N 3.08Å; N527-L530 PolarHBondContact O-N 2.83Å; M528-L530 VanDerWaalsContact C-N 3.34Å; M528-L530 PolarHBondContact O-N 2.69Å; L530-R533 PolarHBondContact O-N 2.87Å; L530-R534 WeakPolarHBondContact O-CB 3.43Å; L530-R534 PolarHBondContact O-N 3.39Å
531E81Confident80.6Confident106 Ų106117 Ų11750%0.49555%0.552SS.*Hα-helixtrans-62.5-44173.5-84.3-152.2-177.900112.5N527 M528 R534 K535N527-E531 PolarHBondContact O-N 3.47Å; M528-E531 PolarHBondContact O-N 2.65Å; E531-R534 PolarHBondContact O-N 2.99Å; E531-K535 WeakPolarHBondContact O-CB 3.45Å; E531-K535 WeakPolarHBondContact O-CD 3.3Å; E531-K535 VanDerWaalsContact O-CG 3.31Å; E531-K535 WeakPolarHBondContact O-CG 3.42Å; E531-K535 PolarHBondContact O-N 2.95Å; E531-K535 IonicContact OE2-NZ 3.7Å; E531-K535 PolarHBondContact OE2-NZ 2.98Å
532E85.8Confident80.9Confident96 Ų96118.5 Ų118.545%0.44955%0.554SS.*Hα-helixtrans-61.8-45.4176.7-72.1-153.5138.700111.9M528 E529 R534 K535 R536M528-E532 PolarHBondContact O-N 3.5Å; E529-E532 PolarHBondContact O-N 2.66Å; E532-R534 VanDerWaalsContact C-N 3.28Å; E532-R534 PolarHBondContact O-N 2.89Å; E532-K535 PolarHBondContact O-N 3.4Å; E532-R536 WeakPolarHBondContact O-CB 3.44Å; E532-R536 VanDerWaalsContact O-CG 3.3Å; E532-R536 WeakPolarHBondContact O-CG 3.23Å; E532-R536 PolarHBondContact O-N 2.92Å; E532-R536 IonicContact OE1-NH2 2.9Å; E532-R536 PolarHBondContact OE1-NH2 3.37Å; E532-R536 IonicContact OE2-CZ 3.02Å; E532-R536 IonicContact OE2-NH1 2.71Å; E532-R536 PolarHBondContact OE2-NH1 2.93Å; E532-R536 IonicContact OE2-NH2 2.6Å; E532-R536 PolarHBondContact OE2-NH2 2.9Å
533R81.4Confident81.3Confident150 Ų150116.5 Ų116.557%0.56654%0.541SS*.Hα-helixtrans-60-40.9176.6-72.2178.1-178.1-15410.3111.1E529 L530 A537E529-R533 WeakPolarHBondContact O-CG 3.46Å; E529-R533 PolarHBondContact O-N 3.41Å; E529-R533 IonicContact OE1-CZ 3.34Å; E529-R533 IonicContact OE1-NE 2.66Å; E529-R533 PolarHBondContact OE1-NE 3.42Å; E529-R533 IonicContact OE1-NH2 3.37Å; E529-R533 PolarHBondContact OE1-NH2 3.13Å; E529-R533 IonicContact OE2-NH2 3.5Å; L530-R533 PolarHBondContact O-N 2.87Å; R533-A537 WeakPolarHBondContact O-CB 3.42Å; R533-A537 PolarHBondContact O-N 2.87Å
534R78.4Confident81.6Confident166 Ų166116 Ų11663%0.62654%0.539SS*.Hα-helixtrans-64.5-48.4176.2-176.4174.9179.8163.73.2112.2L530 E531 E532 R536 A537 E538L530-R534 WeakPolarHBondContact O-CB 3.43Å; L530-R534 PolarHBondContact O-N 3.39Å; E531-R534 PolarHBondContact O-N 2.99Å; E532-R534 VanDerWaalsContact C-N 3.28Å; E532-R534 PolarHBondContact O-N 2.89Å; R534-R536 VanDerWaalsContact C-N 3.34Å; R534-R536 PolarHBondContact O-N 3.42Å; R534-A537 PolarHBondContact O-N 3.26Å; R534-A537 VanDerWaalsContact O-N 3.14Å; R534-E538 HydrophobicContact CG-CG 4.45Å; R534-E538 WeakPolarHBondContact CG-OE1 3.34Å; R534-E538 IonicContact CZ-OE1 3.64Å; R534-E538 IonicContact NE-OE1 2.67Å; R534-E538 PolarHBondContact NE-OE1 3.03Å; R534-E538 IonicContact NH2-OE1 3Å; R534-E538 WeakPolarHBondContact O-CG 3.42Å; R534-E538 PolarHBondContact O-N 3.33Å
535K85.6Confident81.6Confident121 Ų121114.4 Ų114.453%0.52653%0.531SS..Hα-helixtrans-58.5-42.7176.6-74.4159.9176.4160.70111.8E531 E532 E538 Q539E531-K535 WeakPolarHBondContact O-CB 3.45Å; E531-K535 WeakPolarHBondContact O-CD 3.3Å; E531-K535 VanDerWaalsContact O-CG 3.31Å; E531-K535 WeakPolarHBondContact O-CG 3.42Å; E531-K535 PolarHBondContact O-N 2.95Å; E531-K535 IonicContact OE2-NZ 3.7Å; E531-K535 PolarHBondContact OE2-NZ 2.98Å; E532-K535 PolarHBondContact O-N 3.4Å; K535-E538 PolarHBondContact O-N 3.5Å; K535-Q539 WeakPolarHBondContact O-CB 3.43Å; K535-Q539 PolarHBondContact O-N 3.33Å
536R85.3Confident81.9Confident130 Ų130113.5 Ų113.549%0.49153%0.527SS..Hα-helixtrans-63-41.4174.1-70.6170.9-175.3124.510.3112.5E532 R534 L540E532-R536 WeakPolarHBondContact O-CB 3.44Å; E532-R536 VanDerWaalsContact O-CG 3.3Å; E532-R536 WeakPolarHBondContact O-CG 3.23Å; E532-R536 PolarHBondContact O-N 2.92Å; E532-R536 IonicContact OE1-NH2 2.9Å; E532-R536 PolarHBondContact OE1-NH2 3.37Å; E532-R536 IonicContact OE2-CZ 3.02Å; E532-R536 IonicContact OE2-NH1 2.71Å; E532-R536 PolarHBondContact OE2-NH1 2.93Å; E532-R536 IonicContact OE2-NH2 2.6Å; E532-R536 PolarHBondContact OE2-NH2 2.9Å; R534-R536 VanDerWaalsContact C-N 3.34Å; R534-R536 PolarHBondContact O-N 3.42Å; R536-L540 WeakPolarHBondContact O-CB 3.34Å; R536-L540 WeakPolarHBondContact O-CG 3.35Å; R536-L540 PolarHBondContact O-N 2.96Å
537A75.6Confident82.2Confident58 Ų58116.3 Ų116.348%0.47953%0.53SS..Hα-helixtrans-68.7-40.8177.900000112.6R533 R534 R541R533-A537 WeakPolarHBondContact O-CB 3.42Å; R533-A537 PolarHBondContact O-N 2.87Å; R534-A537 PolarHBondContact O-N 3.26Å; R534-A537 VanDerWaalsContact O-N 3.14Å; A537-R541 WeakPolarHBondContact O-CB 3.44Å; A537-R541 PolarHBondContact O-N 3.4Å
538E81.8Confident82.2Confident106 Ų106116.7 Ų116.750%0.49553%0.529SS..Hα-helixtrans-65.9-38.1175.9-72.1171.7-174.600111.4R534 K535 R542R534-E538 HydrophobicContact CG-CG 4.45Å; R534-E538 WeakPolarHBondContact CG-OE1 3.34Å; R534-E538 IonicContact CZ-OE1 3.64Å; R534-E538 IonicContact NE-OE1 2.67Å; R534-E538 PolarHBondContact NE-OE1 3.03Å; R534-E538 IonicContact NH2-OE1 3Å; R534-E538 WeakPolarHBondContact O-CG 3.42Å; R534-E538 PolarHBondContact O-N 3.33Å; K535-E538 PolarHBondContact O-N 3.5Å; E538-R542 PolarHBondContact O-N 2.96Å; E538-R542 VanDerWaalsContact O-N 3.17Å
539Q88.9Confident81.9Confident119 Ų119115.4 Ų115.456%0.55652%0.521SS*.Hα-helixtrans-64.5-52.1172.2-177.8-178.7-20.500112.4K535 R541 R542 E543K535-Q539 WeakPolarHBondContact O-CB 3.43Å; K535-Q539 PolarHBondContact O-N 3.33Å; Q539-R541 VanDerWaalsContact C-N 3.25Å; Q539-R541 PolarHBondContact O-N 3.36Å; Q539-R542 WeakPolarHBondContact O-CB 3.32Å; Q539-R542 PolarHBondContact O-N 3.22Å; Q539-R542 VanDerWaalsContact O-N 3.07Å; Q539-E543 WeakPolarHBondContact CG-OE1 3.48Å; Q539-E543 PolarHBondContact NE2-OE1 2.87Å; Q539-E543 PolarHBondContact O-N 3.33Å
540L84.4Confident81.8Confident116 Ų116117.2 Ų117.261%0.60753%0.529SS*.Hα-helixtrans-60.2-36.1-179.5-77.3170.3000112.4R536 L544R536-L540 WeakPolarHBondContact O-CB 3.34Å; R536-L540 WeakPolarHBondContact O-CG 3.35Å; R536-L540 PolarHBondContact O-N 2.96Å; L540-L544 WeakPolarHBondContact O-CB 3.21Å; L540-L544 PolarHBondContact O-N 3.27Å
541R80.4Confident81.8Confident171 Ų171118.2 Ų118.265%0.64553%0.525SS*.Hα-helixtrans-62.1-46.1173.7178.3178.3169169.30.1111.4A537 Q539 L544 E545A537-R541 WeakPolarHBondContact O-CB 3.44Å; A537-R541 PolarHBondContact O-N 3.4Å; Q539-R541 VanDerWaalsContact C-N 3.25Å; Q539-R541 PolarHBondContact O-N 3.36Å; R541-L544 WeakPolarHBondContact O-CB 3.34Å; R541-L544 PolarHBondContact O-N 3.06Å; R541-L544 VanDerWaalsContact O-N 3.15Å; R541-E545 HydrophobicContact CG-CG 4.49Å; R541-E545 IonicContact CZ-OE1 3.76Å; R541-E545 IonicContact NE-OE1 3.18Å; R541-E545 PolarHBondContact NE-OE1 2.83Å; R541-E545 IonicContact NH2-OE1 3.84Å; R541-E545 PolarHBondContact NH2-OE1 3.13Å; R541-E545 PolarHBondContact O-N 3.41Å
542R85.1Confident81.6Confident161 Ų161117.4 Ų117.461%0.60852%0.523SS*.Hα-helixtrans-63.4-43.6179.3-177.5178.7176149.75.7112.6E538 Q539 L544 E545 E546E538-R542 PolarHBondContact O-N 2.96Å; E538-R542 VanDerWaalsContact O-N 3.17Å; Q539-R542 WeakPolarHBondContact O-CB 3.32Å; Q539-R542 PolarHBondContact O-N 3.22Å; Q539-R542 VanDerWaalsContact O-N 3.07Å; R542-L544 PolarHBondContact O-N 3.2Å; R542-E545 PolarHBondContact O-N 3.11Å; R542-E546 HydrophobicContact CG-CG 4.46Å; R542-E546 WeakPolarHBondContact CG-OE1 3.09Å; R542-E546 IonicContact CZ-OE1 3.42Å; R542-E546 IonicContact NE-OE1 2.7Å; R542-E546 PolarHBondContact NE-OE1 3.07Å; R542-E546 IonicContact NH2-OE1 2.81Å; R542-E546 PolarHBondContact NH2-OE1 3.13Å; R542-E546 WeakPolarHBondContact O-CB 3.35Å; R542-E546 WeakPolarHBondContact O-CG 3.48Å; R542-E546 PolarHBondContact O-N 3.44Å
543E87.8Confident81.1Confident76 Ų76115.7 Ų115.736%0.35552%0.518SS..Hα-helixtrans-62.5-23.5175.2-70.9179.5-153.100113.1Q539 K547Q539-E543 WeakPolarHBondContact CG-OE1 3.48Å; Q539-E543 PolarHBondContact NE2-OE1 2.87Å; Q539-E543 PolarHBondContact O-N 3.33Å; E543-K547 WeakPolarHBondContact O-CD 3.47Å; E543-K547 WeakPolarHBondContact O-CG 3.45Å; E543-K547 PolarHBondContact O-N 3.01Å
544L79.2Confident80.9Confident100 Ų100114 Ų11452%0.52452%0.519SS..Hα-helixtrans-84.5-44.2176.6-160.8146000111.2L540 R541 R542 E546 K547 E548L540-L544 WeakPolarHBondContact O-CB 3.21Å; L540-L544 PolarHBondContact O-N 3.27Å; R541-L544 WeakPolarHBondContact O-CB 3.34Å; R541-L544 PolarHBondContact O-N 3.06Å; R541-L544 VanDerWaalsContact O-N 3.15Å; R542-L544 PolarHBondContact O-N 3.2Å; L544-E546 VanDerWaalsContact C-N 3.34Å; L544-E546 PolarHBondContact O-N 3.21Å; L544-K547 PolarHBondContact O-N 3.36Å; L544-E548 HydrophobicContact CD2-CG 4.16Å; L544-E548 WeakPolarHBondContact O-CG 3.29Å; L544-E548 PolarHBondContact O-N 2.87Å
545E79.6Confident80.6Confident92 Ų92110.9 Ų110.943%0.4351%0.511SS..Hα-helixtrans-59.6-41.4172.9-71.7173.7172.300111.7R541 R542 K547 E548 Q549R541-E545 HydrophobicContact CG-CG 4.49Å; R541-E545 IonicContact CZ-OE1 3.76Å; R541-E545 IonicContact NE-OE1 3.18Å; R541-E545 PolarHBondContact NE-OE1 2.83Å; R541-E545 IonicContact NH2-OE1 3.84Å; R541-E545 PolarHBondContact NH2-OE1 3.13Å; R541-E545 PolarHBondContact O-N 3.41Å; R542-E545 PolarHBondContact O-N 3.11Å; E545-K547 PolarHBondContact O-N 2.81Å; E545-E548 PolarHBondContact O-N 2.88Å; E545-Q549 PolarHBondContact O-N 3.2Å
546E87.9Confident80Confident101 Ų101111.9 Ų111.947%0.47252%0.518SS..Hα-helixtrans-63.3-39.1175.5-73.5173.6-172.500112R542 L544 Q549 E550R542-E546 HydrophobicContact CG-CG 4.46Å; R542-E546 WeakPolarHBondContact CG-OE1 3.09Å; R542-E546 IonicContact CZ-OE1 3.42Å; R542-E546 IonicContact NE-OE1 2.7Å; R542-E546 PolarHBondContact NE-OE1 3.07Å; R542-E546 IonicContact NH2-OE1 2.81Å; R542-E546 PolarHBondContact NH2-OE1 3.13Å; R542-E546 WeakPolarHBondContact O-CB 3.35Å; R542-E546 WeakPolarHBondContact O-CG 3.48Å; R542-E546 PolarHBondContact O-N 3.44Å; L544-E546 VanDerWaalsContact C-N 3.34Å; L544-E546 PolarHBondContact O-N 3.21Å; E546-Q549 PolarHBondContact O-N 3.16Å; E546-E550 PolarHBondContact O-N 3.49Å
547K83.1Confident79.4Confident132 Ų132111 Ų11157%0.57452%0.517SS*.Hα-helixtrans-75.3-32.3177-77.3173.4-177160.30114.2E543 L544 E545 Q549 R551E543-K547 WeakPolarHBondContact O-CD 3.47Å; E543-K547 WeakPolarHBondContact O-CG 3.45Å; E543-K547 PolarHBondContact O-N 3.01Å; L544-K547 PolarHBondContact O-N 3.36Å; E545-K547 PolarHBondContact O-N 2.81Å; K547-Q549 VanDerWaalsContact C-N 3.33Å; K547-R551 PolarHBondContact O-N 2.97Å; K547-R551 VanDerWaalsContact O-N 3.09Å
548E74.2Confident79.1Confident104 Ų104115.6 Ų115.649%0.48652%0.523SS..Hα-helixtrans-66.3-40.1172.1-73.5-171.3153.100110.7L544 E545 R551 L552L544-E548 HydrophobicContact CD2-CG 4.16Å; L544-E548 WeakPolarHBondContact O-CG 3.29Å; L544-E548 PolarHBondContact O-N 2.87Å; E545-E548 PolarHBondContact O-N 2.88Å; E548-R551 PolarHBondContact O-N 3.46Å; E548-L552 WeakPolarHBondContact O-CG 3.35Å; E548-L552 PolarHBondContact O-N 3.39Å
549Q75.9Confident78.9Confident109 Ų109113.9 Ų113.951%0.50952%0.52SS..Hα-helixtrans-61.3-49.1172.6-171.761.648.900111.8E545 E546 K547 R551 L552 D553E545-Q549 PolarHBondContact O-N 3.2Å; E546-Q549 PolarHBondContact O-N 3.16Å; K547-Q549 VanDerWaalsContact C-N 3.33Å; Q549-R551 PolarHBondContact O-N 3.37Å; Q549-L552 PolarHBondContact O-N 2.83Å; Q549-D553 PolarHBondContact NE2-OD1 2.91Å; Q549-D553 WeakPolarHBondContact O-CB 3.49Å; Q549-D553 PolarHBondContact O-N 2.96Å
550E80.5Confident78.5Confident130 Ų130111.9 Ų111.961%0.60752%0.519SS*.Hα-helixtrans-54.7-38.8174.9-76.3-172.1152.600112.7E546 D553 I554E546-E550 PolarHBondContact O-N 3.49Å; E550-D553 WeakPolarHBondContact O-CB 3.3Å; E550-I554 WeakPolarHBondContact O-CD1 3.46Å; E550-I554 WeakPolarHBondContact O-CG1 3.46Å; E550-I554 PolarHBondContact O-N 3.49Å; E550-I554 VanDerWaalsContact O-N 3.16Å
551R77Confident78.4Confident138 Ų138111.7 Ų111.752%0.52152%0.518SS..Hα-helixtrans-67.5-46.1179.3-154.4-15684-133.23.2111.8K547 E548 Q549 D553 I554 E555K547-R551 PolarHBondContact O-N 2.97Å; K547-R551 VanDerWaalsContact O-N 3.09Å; E548-R551 PolarHBondContact O-N 3.46Å; Q549-R551 PolarHBondContact O-N 3.37Å; R551-D553 VanDerWaalsContact C-N 3.33Å; R551-I554 PolarHBondContact O-N 2.86Å; R551-E555 IonicContact CZ-OE2 3.11Å; R551-E555 IonicContact NE-OE2 2.75Å; R551-E555 PolarHBondContact NE-OE2 3.28Å; R551-E555 VanDerWaalsContact NE-OE2 3.16Å; R551-E555 IonicContact NH2-OE2 2.66Å; R551-E555 PolarHBondContact NH2-OE2 2.81Å; R551-E555 WeakPolarHBondContact O-CB 3.35Å; R551-E555 PolarHBondContact O-N 3.31Å
552L74.9Confident78.5Confident89 Ų89108.4 Ų108.447%0.46651%0.51SS..Hα-helixtrans-59.8-45176-69.4168.7000111E548 Q549 I554 E555 E556E548-L552 WeakPolarHBondContact O-CG 3.35Å; E548-L552 PolarHBondContact O-N 3.39Å; Q549-L552 PolarHBondContact O-N 2.83Å; L552-I554 PolarHBondContact O-N 3.35Å; L552-E555 PolarHBondContact O-N 2.81Å; L552-E555 VanDerWaalsContact O-N 3.13Å; L552-E556 PolarHBondContact O-N 3.46Å
553D76.8Confident78.2Confident61 Ų61107.1 Ų107.133%0.32651%0.511SS..Hα-helixtrans-57.1-32.2176.1-108.773.8000113.1Q549 E550 R551 K557Q549-D553 PolarHBondContact NE2-OD1 2.91Å; Q549-D553 WeakPolarHBondContact O-CB 3.49Å; Q549-D553 PolarHBondContact O-N 2.96Å; E550-D553 WeakPolarHBondContact O-CB 3.3Å; R551-D553 VanDerWaalsContact C-N 3.33Å; D553-K557 VanDerWaalsContact CB-NZ 3.34Å; D553-K557 WeakPolarHBondContact O-CD 3.36Å; D553-K557 VanDerWaalsContact O-CE 3.3Å; D553-K557 WeakPolarHBondContact O-CE 3.42Å; D553-K557 WeakPolarHBondContact O-CG 3.35Å; D553-K557 PolarHBondContact O-NZ 3.47Å; D553-K557 IonicContact OD2-NZ 3.25Å; D553-K557 PolarHBondContact OD2-NZ 2.63Å
554I76.8Confident78Confident115 Ų115108.2 Ų108.259%0.5952%0.516SS*.Hα-helixtrans-82.4-39.8176.5-69.6165.6000110.8E550 R551 L552 K557 Y558E550-I554 WeakPolarHBondContact O-CD1 3.46Å; E550-I554 WeakPolarHBondContact O-CG1 3.46Å; E550-I554 PolarHBondContact O-N 3.49Å; E550-I554 VanDerWaalsContact O-N 3.16Å; R551-I554 PolarHBondContact O-N 2.86Å; L552-I554 PolarHBondContact O-N 3.35Å; I554-K557 PolarHBondContact O-N 3.29Å; I554-Y558 WeakPolarHBondContact O-CB 3.01Å; I554-Y558 PolarHBondContact O-N 2.71Å
555E70.9Confident78.1Confident99 Ų99105.9 Ų105.946%0.46351%0.511SS..Hα-helixtrans-64.4-40.6-179.2-161.5164170.200111.5R551 L552 T559R551-E555 IonicContact CZ-OE2 3.11Å; R551-E555 IonicContact NE-OE2 2.75Å; R551-E555 PolarHBondContact NE-OE2 3.28Å; R551-E555 VanDerWaalsContact NE-OE2 3.16Å; R551-E555 IonicContact NH2-OE2 2.66Å; R551-E555 PolarHBondContact NH2-OE2 2.81Å; R551-E555 WeakPolarHBondContact O-CB 3.35Å; R551-E555 PolarHBondContact O-N 3.31Å; L552-E555 PolarHBondContact O-N 2.81Å; L552-E555 VanDerWaalsContact O-N 3.13Å; E555-T559 WeakPolarHBondContact O-CB 3.48Å; E555-T559 PolarHBondContact O-N 3.43Å; E555-T559 PolarHBondContact O-OG1 3.42Å
556E73.3Confident78.1Confident142 Ų142106.1 Ų106.166%0.66451%0.513SS*.Hα-helixtrans-65-47.8172.3-173.2-179.4-164.800111.9L552 Y558 T559 S560L552-E556 PolarHBondContact O-N 3.46Å; E556-Y558 VanDerWaalsContact C-N 3.34Å; E556-Y558 PolarHBondContact O-N 2.94Å; E556-T559 PolarHBondContact O-N 2.93Å; E556-S560 WeakPolarHBondContact O-CB 3.37Å; E556-S560 PolarHBondContact O-N 3.48Å
557K73.8Confident77.7Confident111 Ų111102.6 Ų102.648%0.48350%0.503SS..Hα-helixtrans-61.9-39.9180-72171-163.3114.80112.1D553 I554 L561D553-K557 VanDerWaalsContact CB-NZ 3.34Å; D553-K557 WeakPolarHBondContact O-CD 3.36Å; D553-K557 VanDerWaalsContact O-CE 3.3Å; D553-K557 WeakPolarHBondContact O-CE 3.42Å; D553-K557 WeakPolarHBondContact O-CG 3.35Å; D553-K557 PolarHBondContact O-NZ 3.47Å; D553-K557 IonicContact OD2-NZ 3.25Å; D553-K557 PolarHBondContact OD2-NZ 2.63Å; I554-K557 PolarHBondContact O-N 3.29Å; K557-L561 WeakPolarHBondContact O-CG 3.29Å; K557-L561 PolarHBondContact O-N 2.82Å; K557-L561 VanDerWaalsContact O-N 3.14Å
558Y69.4Low77.7Confident156 Ų156101.7 Ų101.761%0.61250%0.499SS*.Hα-helixtrans-67.9-42.4175.8-166.7-91000112I554 E556 L561 Q562I554-Y558 WeakPolarHBondContact O-CB 3.01Å; I554-Y558 PolarHBondContact O-N 2.71Å; E556-Y558 VanDerWaalsContact C-N 3.34Å; E556-Y558 PolarHBondContact O-N 2.94Å; Y558-L561 PolarHBondContact O-N 3.34Å; Y558-Q562 WeakPolarHBondContact O-CB 3.43Å; Y558-Q562 PolarHBondContact O-N 2.95Å
559T76.4Confident78.2Confident70 Ų70100.2 Ų100.243%0.42950%0.497SS..Hα-helixtrans-59.9-48.6176.7-59.60000111.1E555 E556 L561 Q562 E563E555-T559 WeakPolarHBondContact O-CB 3.48Å; E555-T559 PolarHBondContact O-N 3.43Å; E555-T559 PolarHBondContact O-OG1 3.42Å; E556-T559 PolarHBondContact O-N 2.93Å; T559-L561 PolarHBondContact O-N 3.39Å; T559-Q562 PolarHBondContact O-N 2.63Å; T559-Q562 VanDerWaalsContact O-N 3.14Å; T559-E563 PolarHBondContact O-N 3.39Å
560S80.4Confident78.4Confident76 Ų76101.8 Ų101.853%0.53150%0.502SS..Hα-helixtrans-57.2-46.1176.5-1780000112.8E556 Q562 E563 E564E556-S560 WeakPolarHBondContact O-CB 3.37Å; E556-S560 PolarHBondContact O-N 3.48Å; S560-Q562 VanDerWaalsContact C-N 3.35Å; S560-Q562 PolarHBondContact O-N 3.19Å; S560-E563 PolarHBondContact O-N 3.37Å; S560-E564 WeakPolarHBondContact O-CB 3.37Å; S560-E564 PolarHBondContact O-N 3.28Å
561L84Confident78.5Confident113 Ų113103 Ų10359%0.59251%0.505SS*.Hα-helixtrans-63.3-38.6175.5-77.9164.5000112.7K557 Y558 T559 E564 A565K557-L561 WeakPolarHBondContact O-CG 3.29Å; K557-L561 PolarHBondContact O-N 2.82Å; K557-L561 VanDerWaalsContact O-N 3.14Å; Y558-L561 PolarHBondContact O-N 3.34Å; T559-L561 PolarHBondContact O-N 3.39Å; L561-E564 PolarHBondContact O-N 2.88Å; L561-A565 WeakPolarHBondContact O-CB 3.38Å; L561-A565 PolarHBondContact O-N 2.96Å
562Q80.8Confident78.8Confident101 Ų101102.1 Ų102.147%0.47251%0.511SS..Hα-helixtrans-68.7-40.5178.3-174.6163.9-85.800111.9Y558 T559 S560 A565 Q566Y558-Q562 WeakPolarHBondContact O-CB 3.43Å; Y558-Q562 PolarHBondContact O-N 2.95Å; T559-Q562 PolarHBondContact O-N 2.63Å; T559-Q562 VanDerWaalsContact O-N 3.14Å; S560-Q562 VanDerWaalsContact C-N 3.35Å; S560-Q562 PolarHBondContact O-N 3.19Å; Q562-A565 PolarHBondContact O-N 2.9Å; Q562-Q566 WeakPolarHBondContact O-CG 3.48Å; Q562-Q566 PolarHBondContact O-N 2.95Å
563E80.5Confident79.1Confident135 Ų135104.9 Ų104.963%0.63152%0.519SS*.Hα-helixtrans-64-43.2172.7-71.1-165.7166.900112T559 S560 A565 Q566 G567T559-E563 PolarHBondContact O-N 3.39Å; S560-E563 PolarHBondContact O-N 3.37Å; E563-A565 PolarHBondContact O-N 2.95Å; E563-Q566 PolarHBondContact O-N 3.45Å; E563-G567 PolarHBondContact O-N 3.33Å
564E82Confident79Confident99 Ų99109 Ų10946%0.46353%0.534SS..Hα-helixtrans-63.7-41.4177.7-155.6-144.3-173.300111.4S560 L561 G567 K568S560-E564 WeakPolarHBondContact O-CB 3.37Å; S560-E564 PolarHBondContact O-N 3.28Å; L561-E564 PolarHBondContact O-N 2.88Å; E564-G567 PolarHBondContact O-N 3.26Å; E564-K568 HydrophobicContact CG-CD 4.41Å; E564-K568 WeakPolarHBondContact O-CB 3.41Å; E564-K568 WeakPolarHBondContact O-CG 3.23Å; E564-K568 PolarHBondContact O-N 3.22Å; E564-K568 WeakPolarHBondContact OE1-CE 3.21Å; E564-K568 IonicContact OE1-NZ 2.81Å; E564-K568 PolarHBondContact OE1-NZ 3.2Å; E564-K568 WeakPolarHBondContact OE2-CE 3.39Å; E564-K568 IonicContact OE2-NZ 3.07Å; E564-K568 PolarHBondContact OE2-NZ 2.93Å
565A81.1Confident79.1Confident51 Ų51107.9 Ų107.942%0.42153%0.532SS..Hα-helixtrans-63.2-42.3174.800000112.3L561 Q562 E563 T569L561-A565 WeakPolarHBondContact O-CB 3.38Å; L561-A565 PolarHBondContact O-N 2.96Å; Q562-A565 PolarHBondContact O-N 2.9Å; E563-A565 PolarHBondContact O-N 2.95Å; A565-T569 WeakPolarHBondContact O-CB 3.13Å; A565-T569 PolarHBondContact O-N 3.41Å; A565-T569 PolarHBondContact O-OG1 3.29Å
566Q81.2Confident79.7Confident97 Ų97110.4 Ų110.445%0.45354%0.538SS..Hα-helixtrans-64.7-41.3172.9-73.6-172.336.300111.9Q562 E563 T569 K570Q562-Q566 WeakPolarHBondContact O-CG 3.48Å; Q562-Q566 PolarHBondContact O-N 2.95Å; E563-Q566 PolarHBondContact O-N 3.45Å; Q566-T569 PolarHBondContact O-N 3.16Å; Q566-K570 WeakPolarHBondContact O-CB 3.32Å; Q566-K570 VanDerWaalsContact O-CG 3.3Å; Q566-K570 WeakPolarHBondContact O-CG 3.38Å; Q566-K570 PolarHBondContact O-N 2.84Å
567G79.1Confident79.7Confident26 Ų26107.6 Ų107.627%0.26853%0.53SS..Hα-helixtrans-62.7-47.1176.700000112.4E563 E564 T569 K570 K571E563-G567 PolarHBondContact O-N 3.33Å; E564-G567 PolarHBondContact O-N 3.26Å; G567-T569 VanDerWaalsContact C-N 3.34Å; G567-T569 PolarHBondContact O-N 2.96Å; G567-K570 PolarHBondContact O-N 3.49Å; G567-K571 VanDerWaalsContact O-CG 3.32Å; G567-K571 WeakPolarHBondContact O-CG 3.32Å; G567-K571 PolarHBondContact O-N 3.47Å
568K82.1Confident79.7Confident113 Ų113107.9 Ų107.949%0.49154%0.535SS..Hα-helixtrans-58.9-43.3172-76.7170.3173.9166.50111.3E564 K571 L572E564-K568 HydrophobicContact CG-CD 4.41Å; E564-K568 WeakPolarHBondContact O-CB 3.41Å; E564-K568 WeakPolarHBondContact O-CG 3.23Å; E564-K568 PolarHBondContact O-N 3.22Å; E564-K568 WeakPolarHBondContact OE1-CE 3.21Å; E564-K568 IonicContact OE1-NZ 2.81Å; E564-K568 PolarHBondContact OE1-NZ 3.2Å; E564-K568 WeakPolarHBondContact OE2-CE 3.39Å; E564-K568 IonicContact OE2-NZ 3.07Å; E564-K568 PolarHBondContact OE2-NZ 2.93Å; K568-K571 PolarHBondContact O-N 3.43Å; K568-L572 WeakPolarHBondContact O-CB 3.46Å; K568-L572 PolarHBondContact O-N 3.49Å
569T84.9Confident80.1Confident73 Ų73104.4 Ų104.445%0.44853%0.526SS..Hα-helixtrans-64.7-42.9177.5-59.30000112.6A565 Q566 G567 L572 K573A565-T569 WeakPolarHBondContact O-CB 3.13Å; A565-T569 PolarHBondContact O-N 3.41Å; A565-T569 PolarHBondContact O-OG1 3.29Å; Q566-T569 PolarHBondContact O-N 3.16Å; G567-T569 VanDerWaalsContact C-N 3.34Å; G567-T569 PolarHBondContact O-N 2.96Å; T569-L572 PolarHBondContact O-N 2.93Å; T569-K573 WeakPolarHBondContact O-CG 3.36Å; T569-K573 PolarHBondContact O-N 2.66Å
570K81.3Confident80.3Confident143 Ų143104.7 Ų104.762%0.62252%0.523SS*.Hα-helixtrans-61.9-44.2174.6-73.4165.5-178.2167.50111.1Q566 G567 K574Q566-K570 WeakPolarHBondContact O-CB 3.32Å; Q566-K570 VanDerWaalsContact O-CG 3.3Å; Q566-K570 WeakPolarHBondContact O-CG 3.38Å; Q566-K570 PolarHBondContact O-N 2.84Å; G567-K570 PolarHBondContact O-N 3.49Å; K570-K574 PolarHBondContact O-N 2.75Å; K570-K574 VanDerWaalsContact O-N 3.16Å
571K80.9Confident79.9Confident154 Ų154103.2 Ų103.267%0.6752%0.516SS*.Hα-helixtrans-61.7-47174.3-71.3172.7-172.5179.60111.7G567 K568 K573 K574 V575G567-K571 VanDerWaalsContact O-CG 3.32Å; G567-K571 WeakPolarHBondContact O-CG 3.32Å; G567-K571 PolarHBondContact O-N 3.47Å; K568-K571 PolarHBondContact O-N 3.43Å; K571-K573 PolarHBondContact O-N 2.99Å; K571-K574 PolarHBondContact O-N 2.97Å; K571-V575 WeakPolarHBondContact O-CG2 3.3Å; K571-V575 PolarHBondContact O-N 3.48Å
572L83.8Confident79.3Confident120 Ų120100.1 Ų100.163%0.62851%0.506SS*.Hα-helixtrans-61.3-44.4179.4-17961.5000112.1K568 T569 K574 V575 W576K568-L572 WeakPolarHBondContact O-CB 3.46Å; K568-L572 PolarHBondContact O-N 3.49Å; T569-L572 PolarHBondContact O-N 2.93Å; L572-K574 PolarHBondContact O-N 3.39Å; L572-V575 PolarHBondContact O-N 2.76Å; L572-W576 WeakPolarHBondContact O-CB 3.12Å; L572-W576 PolarHBondContact O-N 3.14Å
573K82.6Confident79.2Confident148 Ų148101.3 Ų101.364%0.64351%0.51SS*.Hα-helixtrans-58.5-45.2173.7-75.5-176.9177-176.50111.8T569 K571 W576 T577T569-K573 WeakPolarHBondContact O-CG 3.36Å; T569-K573 PolarHBondContact O-N 2.66Å; K571-K573 PolarHBondContact O-N 2.99Å; K573-W576 PolarHBondContact O-N 3.43Å; K573-T577 PolarHBondContact O-N 2.94Å; K573-T577 PolarHBondContact O-OG1 3.45Å; K573-T577 VanDerWaalsContact O-OG1 3.13Å
574K73.6Confident79Confident148 Ų14896 Ų9664%0.64349%0.488SS*.Hα-helixtrans-60.4-47176.9-175.6176.3178.4179.60112K570 K571 L572 T577 M578K570-K574 PolarHBondContact O-N 2.75Å; K570-K574 VanDerWaalsContact O-N 3.16Å; K571-K574 PolarHBondContact O-N 2.97Å; L572-K574 PolarHBondContact O-N 3.39Å; K574-T577 PolarHBondContact O-N 2.91Å; K574-M578 HydrophobicContact CG-SD 4.24Å; K574-M578 WeakPolarHBondContact O-CG 3.13Å; K574-M578 PolarHBondContact O-N 2.95Å
575V78.9Confident78.7Confident90 Ų9096.1 Ų96.155%0.54549%0.488SS..Hα-helixtrans-64.5-40.1178.2173.10000111.6K571 L572 M578 L579K571-V575 WeakPolarHBondContact O-CG2 3.3Å; K571-V575 PolarHBondContact O-N 3.48Å; L572-V575 PolarHBondContact O-N 2.76Å; V575-M578 PolarHBondContact O-N 3.37Å; V575-L579 WeakPolarHBondContact O-CB 3.45Å; V575-L579 PolarHBondContact O-N 2.91Å
576W82.8Confident78.4Confident153 Ų15399.4 Ų99.458%0.5850%0.497SS*.Hα-helixtrans-62.9-44176.4-175.393.9000112L572 K573 M578 L579 M580L572-W576 WeakPolarHBondContact O-CB 3.12Å; L572-W576 PolarHBondContact O-N 3.14Å; K573-W576 PolarHBondContact O-N 3.43Å; W576-M578 PolarHBondContact O-N 3.14Å; W576-L579 PolarHBondContact O-N 3.23Å; W576-M580 HydrophobicContact CD2-CG 4.07Å; W576-M580 HydrophobicContact CE3-CG 4.13Å; W576-M580 HydrophobicContact CH2-CE 4.12Å; W576-M580 HydrophobicContact CH2-CG 4.01Å; W576-M580 HydrophobicContact CZ2-CE 3.39Å; W576-M580 HydrophobicContact CZ2-CG 3.95Å; W576-M580 HydrophobicContact CZ3-CG 4.1Å; W576-M580 WeakPolarHBondContact O-CG 3.36Å; W576-M580 PolarHBondContact O-N 3.06Å
577T74.8Confident78.3Confident82 Ų8297.2 Ų97.250%0.50350%0.495SS..Hα-helixtrans-62.7-42.1175-57.60000111.7K573 K574 M580 A581K573-T577 PolarHBondContact O-N 2.94Å; K573-T577 PolarHBondContact O-OG1 3.45Å; K573-T577 VanDerWaalsContact O-OG1 3.13Å; K574-T577 PolarHBondContact O-N 2.91Å; T577-M580 PolarHBondContact O-N 3.4Å; T577-A581 WeakPolarHBondContact O-CB 3.35Å; T577-A581 PolarHBondContact O-N 3.34Å
578M72.1Confident78.1Confident118 Ų11897.1 Ų97.158%0.58149%0.489SS*.Hα-helixtrans-62.4-41.4174.6-70.6173.865.600112K574 V575 W576 A581 A582K574-M578 HydrophobicContact CG-SD 4.24Å; K574-M578 WeakPolarHBondContact O-CG 3.13Å; K574-M578 PolarHBondContact O-N 2.95Å; V575-M578 PolarHBondContact O-N 3.37Å; W576-M578 PolarHBondContact O-N 3.14Å; M578-A581 PolarHBondContact O-N 2.92Å; M578-A582 WeakPolarHBondContact O-CB 3.42Å; M578-A582 PolarHBondContact O-N 3.04Å
579L79.8Confident77.7Confident82 Ų8296 Ų9643%0.42949%0.488SS..Hα-helixtrans-66.4-38177.3178.1148.7000112.3V575 W576 K583V575-L579 WeakPolarHBondContact O-CB 3.45Å; V575-L579 PolarHBondContact O-N 2.91Å; W576-L579 PolarHBondContact O-N 3.23Å; L579-K583 HydrophobicContact CD2-CD 3.92Å; L579-K583 WeakPolarHBondContact O-CB 3.27Å; L579-K583 WeakPolarHBondContact O-CG 3.37Å; L579-K583 PolarHBondContact O-N 3.23Å
580M80.4Confident77.3Confident76 Ų7698.9 Ų98.937%0.37450%0.496SS..Hα-helixtrans-71.3-38.3175-71.2-56.6-154.500112.2W576 T577 K583 S584W576-M580 HydrophobicContact CD2-CG 4.07Å; W576-M580 HydrophobicContact CE3-CG 4.13Å; W576-M580 HydrophobicContact CH2-CE 4.12Å; W576-M580 HydrophobicContact CH2-CG 4.01Å; W576-M580 HydrophobicContact CZ2-CE 3.39Å; W576-M580 HydrophobicContact CZ2-CG 3.95Å; W576-M580 HydrophobicContact CZ3-CG 4.1Å; W576-M580 WeakPolarHBondContact O-CG 3.36Å; W576-M580 PolarHBondContact O-N 3.06Å; T577-M580 PolarHBondContact O-N 3.4Å; M580-K583 PolarHBondContact O-N 3Å; M580-K583 HydrophobicContact SD-CD 4.3Å; M580-S584 PolarHBondContact O-N 3.26Å
581A70.8Confident77.1Confident45 Ų4596.9 Ų96.937%0.37249%0.489SS..Hα-helixtrans-60.9-49.1172.200000111.4T577 M578 K583 S584 E585T577-A581 WeakPolarHBondContact O-CB 3.35Å; T577-A581 PolarHBondContact O-N 3.34Å; M578-A581 PolarHBondContact O-N 2.92Å; A581-K583 VanDerWaalsContact C-N 3.34Å; A581-K583 PolarHBondContact O-N 2.84Å; A581-S584 WeakPolarHBondContact O-CB 3.48Å; A581-S584 PolarHBondContact O-N 2.63Å; A581-S584 VanDerWaalsContact O-N 3.13Å; A581-E585 PolarHBondContact O-N 3.33Å
582A71.9Confident76.6Confident48 Ų4890.5 Ų90.540%0.39746%0.461SS..Hα-helixtrans-62.4-36.8177.300000112.9M578 E585 M586M578-A582 WeakPolarHBondContact O-CB 3.42Å; M578-A582 PolarHBondContact O-N 3.04Å; A582-E585 PolarHBondContact O-N 2.9Å; A582-M586 WeakPolarHBondContact O-CG 3.28Å; A582-M586 PolarHBondContact O-N 3.46Å
583K77.9Confident76.2Confident126 Ų12690 Ų9055%0.54846%0.455SS..Hα-helixtrans-64.8-41.6171.9-80.6-178.7175.9-175.80112.6L579 M580 A581 E585 M586 A587L579-K583 HydrophobicContact CD2-CD 3.92Å; L579-K583 WeakPolarHBondContact O-CB 3.27Å; L579-K583 WeakPolarHBondContact O-CG 3.37Å; L579-K583 PolarHBondContact O-N 3.23Å; M580-K583 PolarHBondContact O-N 3Å; M580-K583 HydrophobicContact SD-CD 4.3Å; A581-K583 VanDerWaalsContact C-N 3.34Å; A581-K583 PolarHBondContact O-N 2.84Å; K583-E585 VanDerWaalsContact C-N 3.33Å; K583-M586 PolarHBondContact O-N 2.9Å; K583-A587 WeakPolarHBondContact O-CB 3.43Å; K583-A587 PolarHBondContact O-N 3.27Å
584S77.5Confident76.1Confident24 Ų2487.3 Ų87.317%0.16845%0.445CS..Hα-helixtrans-64.3-40175.3-165.10000111.3M580 A581 A587 D588M580-S584 PolarHBondContact O-N 3.26Å; A581-S584 WeakPolarHBondContact O-CB 3.48Å; A581-S584 PolarHBondContact O-N 2.63Å; A581-S584 VanDerWaalsContact O-N 3.13Å; S584-A587 PolarHBondContact O-N 2.97Å; S584-D588 WeakPolarHBondContact O-CB 3.31Å; S584-D588 VanDerWaalsContact O-CG 3.28Å; S584-D588 PolarHBondContact O-N 3.46Å
585E74.8Confident76Confident101 Ų10184.8 Ų84.847%0.47243%0.432SS..Hα-helixtrans-67.1-42.4176.6-175.5168.7-146.100112.1A581 A582 K583 A587 D588 L589A581-E585 PolarHBondContact O-N 3.33Å; A582-E585 PolarHBondContact O-N 2.9Å; K583-E585 VanDerWaalsContact C-N 3.33Å; E585-A587 PolarHBondContact O-N 3.15Å; E585-D588 PolarHBondContact O-N 2.87Å; E585-L589 HydrophobicContact CG-CD1 4.02Å; E585-L589 HydrophobicContact CG-CG 4.46Å; E585-L589 WeakPolarHBondContact O-CB 3.48Å; E585-L589 VanDerWaalsContact O-CG 3.23Å; E585-L589 WeakPolarHBondContact O-CG 3.37Å; E585-L589 PolarHBondContact O-N 2.96Å
586M75.4Confident75.5Confident120 Ų12084.8 Ų84.859%0.59143%0.426SS*.Hα-helixtrans-60.6-44172.1-77.1-171.271.300112.4A582 K583 L589 Q590A582-M586 WeakPolarHBondContact O-CG 3.28Å; A582-M586 PolarHBondContact O-N 3.46Å; K583-M586 PolarHBondContact O-N 2.9Å; M586-L589 PolarHBondContact O-N 2.91Å; M586-Q590 WeakPolarHBondContact O-CB 3.38Å; M586-Q590 WeakPolarHBondContact O-CG 3.34Å; M586-Q590 PolarHBondContact O-N 3.32Å
587A78.4Confident75.1Confident52 Ų5280.4 Ų80.443%0.4341%0.413SS..Hα-helixtrans-65-42.2178.100000111.8K583 S584 E585 Q590 Q591K583-A587 WeakPolarHBondContact O-CB 3.43Å; K583-A587 PolarHBondContact O-N 3.27Å; S584-A587 PolarHBondContact O-N 2.97Å; E585-A587 PolarHBondContact O-N 3.15Å; A587-Q590 PolarHBondContact O-N 2.92Å; A587-Q591 WeakPolarHBondContact O-CB 3.42Å; A587-Q591 PolarHBondContact O-N 3.38Å
588D75.4Confident75.2Confident24 Ų2481.4 Ų81.413%0.12841%0.412CS..Hα-helixtrans-61.3-44173.1-78-15.6000112.1K59 R337 S584 E585 Q591 E592K59-D588 VanDerWaalsContact CE-OD2 3.23Å; K59-D588 WeakPolarHBondContact CE-OD2 3.43Å; K59-D588 VanDerWaalsContact NZ-CG 3.32Å; K59-D588 IonicContact NZ-OD1 3.76Å; K59-D588 PolarHBondContact NZ-OD1 2.93Å; K59-D588 IonicContact NZ-OD2 3.36Å; K59-D588 PolarHBondContact NZ-OD2 3.48Å; R337-D588 IonicContact CZ-OD2 3.45Å; R337-D588 IonicContact NH2-OD2 3.13Å; R337-D588 PolarHBondContact NH2-OD2 3.37Å; S584-D588 WeakPolarHBondContact O-CB 3.31Å; S584-D588 VanDerWaalsContact O-CG 3.28Å; S584-D588 PolarHBondContact O-N 3.46Å; E585-D588 PolarHBondContact O-N 2.87Å; D588-Q591 PolarHBondContact O-N 3.5Å; D588-E592 WeakPolarHBondContact O-CB 3.49Å; D588-E592 PolarHBondContact O-N 2.59Å
589L72.6Confident75.2Confident89 Ų8977.3 Ų77.347%0.46640%0.4SS..Hα-helixtrans-67.7-40-179.1-74.9169.3000111.1E585 M586 Q591 E592 H593E585-L589 HydrophobicContact CG-CD1 4.02Å; E585-L589 HydrophobicContact CG-CG 4.46Å; E585-L589 WeakPolarHBondContact O-CB 3.48Å; E585-L589 VanDerWaalsContact O-CG 3.23Å; E585-L589 WeakPolarHBondContact O-CG 3.37Å; E585-L589 PolarHBondContact O-N 2.96Å; M586-L589 PolarHBondContact O-N 2.91Å; L589-Q591 VanDerWaalsContact C-N 3.33Å; L589-E592 PolarHBondContact O-N 3.32Å; L589-H593 VanDerWaalsContact O-CB 3.22Å; L589-H593 WeakPolarHBondContact O-CB 3.45Å; L589-H593 PolarHBondContact O-N 3.31Å
590Q76.9Confident74.9Confident134 Ų13478.7 Ų78.763%0.62641%0.408SS*.Hα-helixtrans-61.3-41.6170.8-75.1176.6-21.700111.4M586 A587 Q594M586-Q590 WeakPolarHBondContact O-CB 3.38Å; M586-Q590 WeakPolarHBondContact O-CG 3.34Å; M586-Q590 PolarHBondContact O-N 3.32Å; A587-Q590 PolarHBondContact O-N 2.92Å; Q590-Q594 VanDerWaalsContact O-CB 3.29Å; Q590-Q594 WeakPolarHBondContact O-CB 3.33Å; Q590-Q594 PolarHBondContact O-N 2.88Å
591Q77.3Confident74.9Confident101 Ų10178.8 Ų78.847%0.47241%0.409SS..Hα-helixtrans-71-39.6177.4-159.3-167.858.300112.4A587 D588 L589 Q594 R595A587-Q591 WeakPolarHBondContact O-CB 3.42Å; A587-Q591 PolarHBondContact O-N 3.38Å; D588-Q591 PolarHBondContact O-N 3.5Å; L589-Q591 VanDerWaalsContact C-N 3.33Å; Q591-Q594 PolarHBondContact O-N 2.99Å; Q591-R595 VanDerWaalsContact O-CG 3.28Å; Q591-R595 WeakPolarHBondContact O-CG 3.46Å; Q591-R595 PolarHBondContact O-N 3.11Å
592E71.9Confident75.3Confident19 Ų1980.2 Ų80.29%0.08941%0.408CS..Hα-helixtrans-63.7-44.4176.4-174.5156.3-148.300110.3R256 S334 R337 D588 L589 R595 E596R256-E592 IonicContact NH2-OE1 2.63Å; R256-E592 PolarHBondContact NH2-OE1 2.91Å; S334-E592 PolarHBondContact OG-OE1 3.32Å; R337-E592 WeakPolarHBondContact CD-OE2 3.46Å; R337-E592 IonicContact CZ-OE2 3.66Å; R337-E592 IonicContact NE-OE2 2.66Å; R337-E592 IonicContact NH1-OE2 3.84Å; R337-E592 PolarHBondContact NH1-OE2 3.11Å; D588-E592 WeakPolarHBondContact O-CB 3.49Å; D588-E592 PolarHBondContact O-N 2.59Å; L589-E592 PolarHBondContact O-N 3.32Å; E592-R595 PolarHBondContact O-N 3.03Å; E592-E596 WeakPolarHBondContact O-CG 3.38Å; E592-E596 PolarHBondContact O-N 3.2Å
593H74.5Confident75.3Confident109 Ų10980.3 Ų80.351%0.50540%0.402SS..Hα-helixtrans-63.9-40.5173.9-172.453000112.9L589 E596 I597L589-H593 VanDerWaalsContact O-CB 3.22Å; L589-H593 WeakPolarHBondContact O-CB 3.45Å; L589-H593 PolarHBondContact O-N 3.31Å; H593-E596 WeakPolarHBondContact O-CB 3.39Å; H593-E596 PolarHBondContact O-N 2.68Å; H593-I597 WeakPolarHBondContact O-CG1 3.43Å; H593-I597 PolarHBondContact O-N 2.87Å
594Q79.5Confident75.5Confident93 Ų9379 Ų7944%0.43540%0.4SS..Hα-helixtrans-62.9-44.1174.1-179.961.429.600111.5Q590 Q591 E596 I597 E598Q590-Q594 VanDerWaalsContact O-CB 3.29Å; Q590-Q594 WeakPolarHBondContact O-CB 3.33Å; Q590-Q594 PolarHBondContact O-N 2.88Å; Q591-Q594 PolarHBondContact O-N 2.99Å; Q594-E596 VanDerWaalsContact C-N 3.29Å; Q594-E596 PolarHBondContact O-N 3.36Å; Q594-I597 PolarHBondContact O-N 2.9Å; Q594-E598 PolarHBondContact NE2-OE1 2.95Å; Q594-E598 WeakPolarHBondContact O-CB 3.49Å; Q594-E598 WeakPolarHBondContact O-CG 3.31Å; Q594-E598 PolarHBondContact O-N 3.45Å
595R72.4Confident75.9Confident95 Ų9584.4 Ų84.436%0.35842%0.417SS..Hα-helixtrans-63.7-33.6174.3-67.9-175.3-146.1-169.311.7112.2D330 Q591 E592 G599D330-R595 IonicContact OD2-CZ 3.4Å; D330-R595 IonicContact OD2-NH1 3.16Å; D330-R595 PolarHBondContact OD2-NH1 2.86Å; D330-R595 IonicContact OD2-NH2 2.76Å; D330-R595 PolarHBondContact OD2-NH2 2.94Å; Q591-R595 VanDerWaalsContact O-CG 3.28Å; Q591-R595 WeakPolarHBondContact O-CG 3.46Å; Q591-R595 PolarHBondContact O-N 3.11Å; E592-R595 PolarHBondContact O-N 3.03Å; R595-G599 PolarHBondContact O-N 3.43Å
596E69.1Low75.9Confident89 Ų8982.3 Ų82.342%0.41641%0.407SS..Hα-helixtrans-68.6-46.3173.4-76.1174.3172.100111.8E592 H593 Q594 E598 G599 L600E592-E596 WeakPolarHBondContact O-CG 3.38Å; E592-E596 PolarHBondContact O-N 3.2Å; H593-E596 WeakPolarHBondContact O-CB 3.39Å; H593-E596 PolarHBondContact O-N 2.68Å; Q594-E596 VanDerWaalsContact C-N 3.29Å; Q594-E596 PolarHBondContact O-N 3.36Å; E596-E598 VanDerWaalsContact C-N 3.33Å; E596-E598 PolarHBondContact O-N 3.41Å; E596-G599 PolarHBondContact O-N 3.18Å; E596-L600 WeakPolarHBondContact O-CG 3.33Å; E596-L600 PolarHBondContact O-N 2.88Å
597I73.4Confident76.2Confident61 Ų6182 Ų8231%0.31341%0.407SS..Hα-helixtrans-57.6-45.9174-73167.6000110.5H593 Q594 G599 L600 L601H593-I597 WeakPolarHBondContact O-CG1 3.43Å; H593-I597 PolarHBondContact O-N 2.87Å; Q594-I597 PolarHBondContact O-N 2.9Å; I597-G599 PolarHBondContact O-N 3.45Å; I597-L600 PolarHBondContact O-N 3.21Å; I597-L601 HydrophobicContact CG2-CD1 3.75Å; I597-L601 HydrophobicContact CG2-CG 4.26Å; I597-L601 WeakPolarHBondContact O-CB 3.48Å; I597-L601 VanDerWaalsContact O-CG 3.26Å; I597-L601 WeakPolarHBondContact O-CG 3.37Å; I597-L601 PolarHBondContact O-N 2.76Å
598E77.4Confident76.6Confident103 Ų10381.9 Ų81.948%0.48140%0.403SS..Hα-helixtrans-62.4-41.3177-75.1169.1-167.700112.2Q594 E596 L601 E602Q594-E598 PolarHBondContact NE2-OE1 2.95Å; Q594-E598 WeakPolarHBondContact O-CB 3.49Å; Q594-E598 WeakPolarHBondContact O-CG 3.31Å; Q594-E598 PolarHBondContact O-N 3.45Å; E596-E598 VanDerWaalsContact C-N 3.33Å; E596-E598 PolarHBondContact O-N 3.41Å; E598-L601 PolarHBondContact O-N 3.16Å; E598-E602 PolarHBondContact O-N 2.83Å
599G71.2Confident77.1Confident33 Ų3388.5 Ų88.534%0.3443%0.426SS..Hα-helixtrans-63.6-40.8173.400000113.2R595 E596 I597 N603R595-G599 PolarHBondContact O-N 3.43Å; E596-G599 PolarHBondContact O-N 3.18Å; I597-G599 PolarHBondContact O-N 3.45Å; G599-N603 WeakPolarHBondContact O-CB 3.45Å; G599-N603 PolarHBondContact O-N 3.13Å; G599-N603 PolarHBondContact O-ND2 3.07Å
600L73.5Confident77.5Confident111 Ų11187.2 Ų87.258%0.58142%0.418SS*.Hα-helixtrans-67.1-40.9174.8-70.6171.8000111.5E596 I597 N603 I604E596-L600 WeakPolarHBondContact O-CG 3.33Å; E596-L600 PolarHBondContact O-N 2.88Å; I597-L600 PolarHBondContact O-N 3.21Å; L600-N603 PolarHBondContact O-N 2.97Å; L600-I604 WeakPolarHBondContact O-CB 3.47Å; L600-I604 VanDerWaalsContact O-CG1 3.26Å; L600-I604 WeakPolarHBondContact O-CG1 3.39Å; L600-I604 PolarHBondContact O-N 3.2Å
601L80.9Confident78Confident78 Ų7885.5 Ų85.541%0.40841%0.412SS..Hα-helixtrans-65.7-39176.7-73.6172.1000112.4I597 E598 I604 R605I597-L601 HydrophobicContact CG2-CD1 3.75Å; I597-L601 HydrophobicContact CG2-CG 4.26Å; I597-L601 WeakPolarHBondContact O-CB 3.48Å; I597-L601 VanDerWaalsContact O-CG 3.26Å; I597-L601 WeakPolarHBondContact O-CG 3.37Å; I597-L601 PolarHBondContact O-N 2.76Å; E598-L601 PolarHBondContact O-N 3.16Å; L601-I604 PolarHBondContact O-N 3.27Å; L601-R605 WeakPolarHBondContact O-CD 3.46Å; L601-R605 VanDerWaalsContact O-CG 3.25Å; L601-R605 WeakPolarHBondContact O-CG 3.39Å; L601-R605 PolarHBondContact O-N 2.77Å
602E78.7Confident78.6Confident75 Ų7589.2 Ų89.235%0.3542%0.422SS..Hα-helixtrans-71.8-36174.9-16359.5-14800112.1E598 I604 R605 Q606 R609E598-E602 PolarHBondContact O-N 2.83Å; E602-I604 VanDerWaalsContact C-N 3.35Å; E602-I604 PolarHBondContact O-N 3.45Å; E602-R605 PolarHBondContact O-N 3.35Å; E602-R605 WeakPolarHBondContact OE2-CD 3.5Å; E602-R605 IonicContact OE2-CZ 2.72Å; E602-R605 IonicContact OE2-NE 3.6Å; E602-R605 IonicContact OE2-NH1 2.84Å; E602-R605 PolarHBondContact OE2-NH1 2.93Å; E602-Q606 WeakPolarHBondContact O-CB 3.3Å; E602-Q606 PolarHBondContact O-N 3.03Å; E602-R609 IonicContact OE1-NH1 3.79Å
603N72.7Confident79.4Confident49 Ų4993.4 Ų93.426%0.26244%0.444SS..Hα-helixtrans-58.6-44.9168.1-80.3-57.2000111.6G599 L600 R605 Q606 L607G599-N603 WeakPolarHBondContact O-CB 3.45Å; G599-N603 PolarHBondContact O-N 3.13Å; G599-N603 PolarHBondContact O-ND2 3.07Å; L600-N603 PolarHBondContact O-N 2.97Å; N603-R605 PolarHBondContact O-N 3.23Å; N603-Q606 PolarHBondContact O-N 3.22Å; N603-L607 WeakPolarHBondContact O-CB 3.5Å; N603-L607 VanDerWaalsContact O-CG 3.31Å; N603-L607 WeakPolarHBondContact O-CG 3.32Å; N603-L607 PolarHBondContact O-N 3.16Å
604I82.7Confident80.1Confident98 Ų9893 Ų9350%0.50344%0.443SS..Hα-helixtrans-62.6-42.1176-71.5163.2000111.2L600 L601 E602 S608L600-I604 WeakPolarHBondContact O-CB 3.47Å; L600-I604 VanDerWaalsContact O-CG1 3.26Å; L600-I604 WeakPolarHBondContact O-CG1 3.39Å; L600-I604 PolarHBondContact O-N 3.2Å; L601-I604 PolarHBondContact O-N 3.27Å; E602-I604 VanDerWaalsContact C-N 3.35Å; E602-I604 PolarHBondContact O-N 3.45Å; I604-S608 VanDerWaalsContact O-CB 3.24Å; I604-S608 WeakPolarHBondContact O-CB 3.29Å; I604-S608 PolarHBondContact O-N 2.93Å; I604-S608 PolarHBondContact O-OG 3.03Å
605R85.2Confident80.5Confident138 Ų13893.2 Ų93.252%0.52145%0.445SS..Hα-helixtrans-63.2-41.7174.7-71.8161.6-179.1168.54.1111.8L601 E602 N603 S608 R609L601-R605 WeakPolarHBondContact O-CD 3.46Å; L601-R605 VanDerWaalsContact O-CG 3.25Å; L601-R605 WeakPolarHBondContact O-CG 3.39Å; L601-R605 PolarHBondContact O-N 2.77Å; E602-R605 PolarHBondContact O-N 3.35Å; E602-R605 WeakPolarHBondContact OE2-CD 3.5Å; E602-R605 IonicContact OE2-CZ 2.72Å; E602-R605 IonicContact OE2-NE 3.6Å; E602-R605 IonicContact OE2-NH1 2.84Å; E602-R605 PolarHBondContact OE2-NH1 2.93Å; N603-R605 PolarHBondContact O-N 3.23Å; R605-S608 PolarHBondContact O-N 3.24Å; R605-R609 WeakPolarHBondContact O-CG 3.27Å; R605-R609 PolarHBondContact O-N 3.48Å
606Q74.8Confident81.4Confident57 Ų5793.6 Ų93.627%0.26645%0.453SS..Hα-helixtrans-66.8-47.7178.2-176172.9-7.800111.5E602 N603 S608 R609 E610E602-Q606 WeakPolarHBondContact O-CB 3.3Å; E602-Q606 PolarHBondContact O-N 3.03Å; N603-Q606 PolarHBondContact O-N 3.22Å; Q606-S608 VanDerWaalsContact C-N 3.29Å; Q606-S608 PolarHBondContact O-N 3.09Å; Q606-R609 WeakPolarHBondContact O-CB 3.41Å; Q606-R609 PolarHBondContact O-N 3.05Å; Q606-R609 VanDerWaalsContact O-N 3.13Å; Q606-E610 PolarHBondContact O-N 2.92Å
607L81.8Confident82.3Confident115 Ų11593.3 Ų93.360%0.60245%0.454SS*.Hα-helixtrans-59.8-39.7173.4-71169.7000111.5N603 R609 E610 L611N603-L607 WeakPolarHBondContact O-CB 3.5Å; N603-L607 VanDerWaalsContact O-CG 3.31Å; N603-L607 WeakPolarHBondContact O-CG 3.32Å; N603-L607 PolarHBondContact O-N 3.16Å; L607-R609 VanDerWaalsContact C-N 3.33Å; L607-R609 PolarHBondContact O-N 3.46Å; L607-E610 PolarHBondContact O-N 3.44Å; L607-L611 VanDerWaalsContact O-CB 3.3Å; L607-L611 WeakPolarHBondContact O-CB 3.36Å; L607-L611 PolarHBondContact O-N 3.45Å
608S87.1Confident82.9Confident48 Ų4893.8 Ų93.834%0.33646%0.456SS..Hα-helixtrans-64.6-33.4175-61.70000113.1I604 R605 Q606 R612I604-S608 VanDerWaalsContact O-CB 3.24Å; I604-S608 WeakPolarHBondContact O-CB 3.29Å; I604-S608 PolarHBondContact O-N 2.93Å; I604-S608 PolarHBondContact O-OG 3.03Å; R605-S608 PolarHBondContact O-N 3.24Å; Q606-S608 VanDerWaalsContact C-N 3.29Å; Q606-S608 PolarHBondContact O-N 3.09Å; S608-R612 WeakPolarHBondContact O-CB 3.49Å; S608-R612 VanDerWaalsContact O-CG 3.25Å; S608-R612 WeakPolarHBondContact O-CG 3.46Å; S608-R612 PolarHBondContact O-N 3.02Å
609R85.9Confident83.4Confident164 Ų16493.7 Ų93.762%0.61946%0.459SS*.Hα-helixtrans-71.6-42.4173.2-73.3172.6-178.8151.53111.3E602 R605 Q606 L607 R612 L613E602-R609 IonicContact OE1-NH1 3.79Å; R605-R609 WeakPolarHBondContact O-CG 3.27Å; R605-R609 PolarHBondContact O-N 3.48Å; Q606-R609 WeakPolarHBondContact O-CB 3.41Å; Q606-R609 PolarHBondContact O-N 3.05Å; Q606-R609 VanDerWaalsContact O-N 3.13Å; L607-R609 VanDerWaalsContact C-N 3.33Å; L607-R609 PolarHBondContact O-N 3.46Å; R609-R612 PolarHBondContact O-N 2.91Å; R609-L613 PolarHBondContact O-N 3.33Å
610E81.2Confident84.3Confident61 Ų6197.5 Ų97.529%0.28547%0.472SS..Hα-helixtrans-68.2-41.2178.7-179.7151.8-168.600112.1K268 Q606 L607 L613 Q614K268-E610 WeakPolarHBondContact CE-OE2 3.19Å; K268-E610 IonicContact NZ-OE1 2.63Å; K268-E610 PolarHBondContact NZ-OE1 2.72Å; K268-E610 IonicContact NZ-OE2 2.71Å; K268-E610 PolarHBondContact NZ-OE2 2.84Å; Q606-E610 PolarHBondContact O-N 2.92Å; L607-E610 PolarHBondContact O-N 3.44Å; E610-L613 WeakPolarHBondContact O-CB 3.34Å; E610-L613 PolarHBondContact O-N 3.48Å; E610-Q614 WeakPolarHBondContact O-CG 3.3Å; E610-Q614 PolarHBondContact O-N 2.74Å
611L87Confident85.1Confident99 Ų99100.1 Ų100.152%0.51848%0.479SS..Hα-helixtrans-60.3-46.3173-179.462.6000111.4L607 L613 Q614 M615L607-L611 VanDerWaalsContact O-CB 3.3Å; L607-L611 WeakPolarHBondContact O-CB 3.36Å; L607-L611 PolarHBondContact O-N 3.45Å; L611-L613 VanDerWaalsContact C-N 3.29Å; L611-L613 PolarHBondContact O-N 3.05Å; L611-Q614 PolarHBondContact O-N 3Å; L611-M615 HydrophobicContact CD1-CG 4.46Å; L611-M615 HydrophobicContact CG-SD 4.17Å; L611-M615 WeakPolarHBondContact O-CG 3.45Å; L611-M615 PolarHBondContact O-N 2.92Å
612R90.1Very high85.3Confident178 Ų17899.2 Ų99.267%0.67247%0.474SS*.Hα-helixtrans-60.5-37.6174.4-75177.6-153.8179.85.3112.7S608 R609 L616S608-R612 WeakPolarHBondContact O-CB 3.49Å; S608-R612 VanDerWaalsContact O-CG 3.25Å; S608-R612 WeakPolarHBondContact O-CG 3.46Å; S608-R612 PolarHBondContact O-N 3.02Å; R609-R612 PolarHBondContact O-N 2.91Å; R612-L616 WeakPolarHBondContact O-CB 3.24Å; R612-L616 PolarHBondContact O-N 3.41Å
613L88.7Confident85.9Confident107 Ų10799.3 Ų99.356%0.5648%0.481SS*.Hα-helixtrans-65.3-42.4175.7179.162.3000111.2R609 E610 L611 L616 I617R609-L613 PolarHBondContact O-N 3.33Å; E610-L613 WeakPolarHBondContact O-CB 3.34Å; E610-L613 PolarHBondContact O-N 3.48Å; L611-L613 VanDerWaalsContact C-N 3.29Å; L611-L613 PolarHBondContact O-N 3.05Å; L613-L616 PolarHBondContact O-N 2.86Å; L613-I617 HydrophobicContact CD1-CD1 4.28Å; L613-I617 HydrophobicContact CG-CD1 4.13Å; L613-I617 WeakPolarHBondContact O-CD1 3.47Å; L613-I617 VanDerWaalsContact O-CG1 3.26Å; L613-I617 WeakPolarHBondContact O-CG1 3.34Å; L613-I617 PolarHBondContact O-N 2.94Å
614Q88.1Confident86.5Confident100 Ų100105.5 Ų105.547%0.46750%0.501SS..Hα-helixtrans-64.5-46.1175.7-70.6176.8300111.9E610 L611 L616 I617 I618E610-Q614 WeakPolarHBondContact O-CG 3.3Å; E610-Q614 PolarHBondContact O-N 2.74Å; L611-Q614 PolarHBondContact O-N 3Å; Q614-L616 PolarHBondContact O-N 2.9Å; Q614-I617 PolarHBondContact O-N 3.42Å; Q614-I618 VanDerWaalsContact O-CG1 3.31Å; Q614-I618 WeakPolarHBondContact O-CG1 3.47Å; Q614-I618 PolarHBondContact O-N 3.2Å
615M88.8Confident86.6Confident99 Ų99106.7 Ų106.749%0.48851%0.508SS..Hα-helixtrans-57.3-47.8173.6-68.6174.472.900111.4L611 I617 I618 D619L611-M615 HydrophobicContact CD1-CG 4.46Å; L611-M615 HydrophobicContact CG-SD 4.17Å; L611-M615 WeakPolarHBondContact O-CG 3.45Å; L611-M615 PolarHBondContact O-N 2.92Å; M615-I617 VanDerWaalsContact C-N 3.28Å; M615-I617 PolarHBondContact O-N 2.87Å; M615-I618 CarbonylContact O-C 3.17Å; M615-I618 WeakPolarHBondContact O-CA 3.32Å; M615-I618 WeakPolarHBondContact O-CB 3.4Å; M615-I618 PolarHBondContact O-N 2.82Å; M615-D619 WeakPolarHBondContact O-CB 3.48Å; M615-D619 VanDerWaalsContact O-CG 3.29Å; M615-D619 PolarHBondContact O-N 3.22Å
616L90.6Very high86.6Confident102 Ų102106.6 Ų106.653%0.53451%0.509SS..Hα-helixtrans-64-33-179.9-163154.6000112R612 L613 Q614 N620R612-L616 WeakPolarHBondContact O-CB 3.24Å; R612-L616 PolarHBondContact O-N 3.41Å; L613-L616 PolarHBondContact O-N 2.86Å; Q614-L616 PolarHBondContact O-N 2.9Å; L616-N620 WeakPolarHBondContact O-CB 3.33Å; L616-N620 PolarHBondContact O-N 2.89Å; L616-N620 PolarHBondContact O-ND2 3.48Å
617I88.5Confident87Confident84 Ų84105.6 Ų105.643%0.43150%0.504SS..Hα-helixtrans-66.6-45.8170.4-69.6163000110.8L613 Q614 M615 N620 F621L613-I617 HydrophobicContact CD1-CD1 4.28Å; L613-I617 HydrophobicContact CG-CD1 4.13Å; L613-I617 WeakPolarHBondContact O-CD1 3.47Å; L613-I617 VanDerWaalsContact O-CG1 3.26Å; L613-I617 WeakPolarHBondContact O-CG1 3.34Å; L613-I617 PolarHBondContact O-N 2.94Å; Q614-I617 PolarHBondContact O-N 3.42Å; M615-I617 VanDerWaalsContact C-N 3.28Å; M615-I617 PolarHBondContact O-N 2.87Å; I617-N620 PolarHBondContact O-N 3.44Å; I617-F621 HydrophobicContact CG2-CD2 4.27Å; I617-F621 WeakPolarHBondContact O-CB 3.49Å; I617-F621 WeakPolarHBondContact O-CD2 3.43Å; I617-F621 PolarHBondContact O-N 2.84Å
618I87Confident87.2Confident70 Ų70105.5 Ų105.536%0.35950%0.501SS..Hα-helixtrans-59.3-51177.3-68.5161.8000110.3Q614 M615 N620 I622 Q627Q614-I618 VanDerWaalsContact O-CG1 3.31Å; Q614-I618 WeakPolarHBondContact O-CG1 3.47Å; Q614-I618 PolarHBondContact O-N 3.2Å; M615-I618 CarbonylContact O-C 3.17Å; M615-I618 WeakPolarHBondContact O-CA 3.32Å; M615-I618 WeakPolarHBondContact O-CB 3.4Å; M615-I618 PolarHBondContact O-N 2.82Å; I618-N620 VanDerWaalsContact C-N 3.29Å; I618-N620 PolarHBondContact O-N 3.03Å; I618-I622 HydrophobicContact CB-CD1 4.48Å; I618-I622 HydrophobicContact CG1-CD1 4.14Å; I618-I622 HydrophobicContact CG2-CD1 4.41Å; I618-I622 WeakPolarHBondContact O-CB 3.48Å; I618-I622 PolarHBondContact O-N 3.29Å; I618-Q627 HydrophobicContact CG2-CG 4.07Å; I618-Q627 PolarHBondContact O-NE2 2.9Å
619D87.6Confident87Confident102 Ų102107.5 Ų107.555%0.54551%0.506SS..Hα-helixtrans-59.1-33.4-179-71.4-34.4000114M615M615-D619 WeakPolarHBondContact O-CB 3.48Å; M615-D619 VanDerWaalsContact O-CG 3.29Å; M615-D619 PolarHBondContact O-N 3.22Å
620N89.4Confident86.8Confident112 Ų112103.4 Ų103.460%0.59950%0.495SS*.Hα-helixtrans-101-22.1-174.3-72.5-95000114.2L616 I617 I618L616-N620 WeakPolarHBondContact O-CB 3.33Å; L616-N620 PolarHBondContact O-N 2.89Å; L616-N620 PolarHBondContact O-ND2 3.48Å; I617-N620 PolarHBondContact O-N 3.44Å; I618-N620 VanDerWaalsContact C-N 3.29Å; I618-N620 PolarHBondContact O-N 3.03Å
621F89.8Confident87Confident167 Ų167107.3 Ų107.373%0.73251%0.513SS*.Hα-helixtrans-119.3-10.9-174.5-64.9-89.5000114.7I617I617-F621 HydrophobicContact CG2-CD2 4.27Å; I617-F621 WeakPolarHBondContact O-CB 3.49Å; I617-F621 WeakPolarHBondContact O-CD2 3.43Å; I617-F621 PolarHBondContact O-N 2.84Å
622I85.3Confident86.9Confident59 Ų59108.6 Ų108.630%0.30352%0.521SS..SBendtrans-118.7112176.3-50.8-178000108.5I618 Q627I618-I622 HydrophobicContact CB-CD1 4.48Å; I618-I622 HydrophobicContact CG1-CD1 4.14Å; I618-I622 HydrophobicContact CG2-CD1 4.41Å; I618-I622 WeakPolarHBondContact O-CB 3.48Å; I618-I622 PolarHBondContact O-N 3.29Å; I622-Q627 HydrophobicContact CB-CG 4.15Å; I622-Q627 HydrophobicContact CG2-CG 3.74Å; I622-Q627 PolarHBondContact O-NE2 2.92Å
623P91.6Very high86.6Confident77 Ų77106.8 Ų106.850%0.552%0.515SS..  trans-63145.5177.1-17.429.4000111.3D625 Y626 Q627P623-D625 VanDerWaalsContact C-N 3.28Å; P623-D625 PolarHBondContact O-N 3.03Å; P623-D625 VanDerWaalsContact O-N 3.17Å; P623-Y626 HydrophobicContact CB-CD2 4.06Å; P623-Y626 HydrophobicContact CG-CD2 4.07Å; P623-Y626 HydrophobicContact CG-CE2 4.43Å; P623-Y626 WeakPolarHBondContact O-CB 3.4Å; P623-Y626 PolarHBondContact O-N 3.34Å; P623-Q627 PolarHBondContact O-N 2.87Å
624R85.7Confident86.6Confident178 Ų178103.7 Ų103.767%0.67250%0.501SS*.Hα-helixtrans-52.9-41-172-73.8-172.4174.9-169.9-2.7114.1Y626 Q627 E628R624-Y626 PolarHBondContact O-N 3.34Å; R624-Y626 VanDerWaalsContact O-N 3.12Å; R624-Q627 CarbonylContact O-C 3.6Å; R624-Q627 WeakPolarHBondContact O-CA 3.43Å; R624-Q627 WeakPolarHBondContact O-CB 3.48Å; R624-Q627 PolarHBondContact O-N 2.88Å; R624-E628 PolarHBondContact O-N 3.32Å
625D85.5Confident86.5Confident124 Ų124102 Ų10266%0.66349%0.493SS*.Hα-helixtrans-54.7-34.2178.2-41.2-3.2000112P623 M629P623-D625 VanDerWaalsContact C-N 3.28Å; P623-D625 PolarHBondContact O-N 3.03Å; P623-D625 VanDerWaalsContact O-N 3.17Å; D625-M629 VanDerWaalsContact O-CB 3.25Å; D625-M629 WeakPolarHBondContact O-CB 3.32Å; D625-M629 PolarHBondContact O-N 2.91Å
626Y83.8Confident86.4Confident135 Ų135103 Ų10353%0.52949%0.491SS..Hα-helixtrans-81.6-31174.4-66.4-89.8000112.7P623 R624 M629 I630P623-Y626 HydrophobicContact CB-CD2 4.06Å; P623-Y626 HydrophobicContact CG-CD2 4.07Å; P623-Y626 HydrophobicContact CG-CE2 4.43Å; P623-Y626 WeakPolarHBondContact O-CB 3.4Å; P623-Y626 PolarHBondContact O-N 3.34Å; R624-Y626 PolarHBondContact O-N 3.34Å; R624-Y626 VanDerWaalsContact O-N 3.12Å; Y626-M629 HydrophobicContact CD1-CE 3.44Å; Y626-M629 VanDerWaalsContact CD1-CE 3.44Å; Y626-M629 HydrophobicContact CE1-CE 3.91Å; Y626-M629 HydrophobicContact CG-CE 4.22Å; Y626-I630 WeakPolarHBondContact O-CB 3.39Å; Y626-I630 WeakPolarHBondContact O-CD1 3.47Å; Y626-I630 WeakPolarHBondContact O-CG1 3.5Å; Y626-I630 PolarHBondContact O-N 3.45Å
627Q83.7Confident86Confident36 Ų3699.9 Ų99.917%0.16848%0.475CS..Hα-helixtrans-64.1-54.2172.9-55.7-179.96.400110.1I618 I622 P623 R624 M629 I630 E631I618-Q627 HydrophobicContact CG2-CG 4.07Å; I618-Q627 PolarHBondContact O-NE2 2.9Å; I622-Q627 HydrophobicContact CB-CG 4.15Å; I622-Q627 HydrophobicContact CG2-CG 3.74Å; I622-Q627 PolarHBondContact O-NE2 2.92Å; P623-Q627 PolarHBondContact O-N 2.87Å; R624-Q627 CarbonylContact O-C 3.6Å; R624-Q627 WeakPolarHBondContact O-CA 3.43Å; R624-Q627 WeakPolarHBondContact O-CB 3.48Å; R624-Q627 PolarHBondContact O-N 2.88Å; Q627-M629 VanDerWaalsContact C-N 3.31Å; Q627-M629 PolarHBondContact O-N 3.21Å; Q627-I630 PolarHBondContact O-N 3.49Å; Q627-E631 WeakPolarHBondContact O-CG 3.45Å; Q627-E631 PolarHBondContact O-N 3.32Å
628E86.3Confident85.6Confident114 Ų114103.9 Ų103.953%0.53349%0.492SS..Hα-helixtrans-58.7-41.3177.6-67.9179.8-16300111.3R624 E631 N632R624-E628 PolarHBondContact O-N 3.32Å; E628-E631 PolarHBondContact O-N 3.15Å; E628-N632 WeakPolarHBondContact O-CB 3.5Å; E628-N632 PolarHBondContact O-N 3.23Å; E628-N632 PolarHBondContact O-ND2 3.03Å
629M82.4Confident84.5Confident89 Ų89108.2 Ų108.244%0.43852%0.515SS..Hα-helixtrans-62.1-43.4173.9177169.948.600112.3D625 Y626 Q627 N632 Y633D625-M629 VanDerWaalsContact O-CB 3.25Å; D625-M629 WeakPolarHBondContact O-CB 3.32Å; D625-M629 PolarHBondContact O-N 2.91Å; Y626-M629 HydrophobicContact CD1-CE 3.44Å; Y626-M629 VanDerWaalsContact CD1-CE 3.44Å; Y626-M629 HydrophobicContact CE1-CE 3.91Å; Y626-M629 HydrophobicContact CG-CE 4.22Å; Q627-M629 VanDerWaalsContact C-N 3.31Å; Q627-M629 PolarHBondContact O-N 3.21Å; M629-N632 PolarHBondContact O-N 3.23Å; M629-Y633 HydrophobicContact CG-CD2 4.01Å; M629-Y633 HydrophobicContact CG-CE2 4.1Å; M629-Y633 WeakPolarHBondContact O-CD2 3.41Å; M629-Y633 PolarHBondContact O-N 3.3Å
630I83Confident83.9Confident78 Ų78107.4 Ų107.440%0.451%0.51SS..Hα-helixtrans-63-47.5177.1-74.4164.8000110.3Y626 Q627 N632 Y633 V634 L645Y626-I630 WeakPolarHBondContact O-CB 3.39Å; Y626-I630 WeakPolarHBondContact O-CD1 3.47Å; Y626-I630 WeakPolarHBondContact O-CG1 3.5Å; Y626-I630 PolarHBondContact O-N 3.45Å; Q627-I630 PolarHBondContact O-N 3.49Å; I630-N632 VanDerWaalsContact C-N 3.35Å; I630-N632 PolarHBondContact O-N 2.99Å; I630-Y633 PolarHBondContact O-N 2.87Å; I630-Y633 VanDerWaalsContact O-N 3.13Å; I630-V634 HydrophobicContact CG2-CG2 3.97Å; I630-V634 WeakPolarHBondContact O-CB 3.44Å; I630-V634 VanDerWaalsContact O-CG2 3.29Å; I630-V634 WeakPolarHBondContact O-CG2 3.38Å; I630-V634 PolarHBondContact O-N 2.94Å; I630-L645 HydrophobicContact CG2-CD1 4.48Å
631E84.4Confident83.4Confident143 Ų143104 Ų10467%0.66850%0.501SS*.Hα-helixtrans-58.8-43.2179-70.7-177.4162.700112.2Q627 E628 Y633 V634Q627-E631 WeakPolarHBondContact O-CG 3.45Å; Q627-E631 PolarHBondContact O-N 3.32Å; E628-E631 PolarHBondContact O-N 3.15Å; E631-Y633 VanDerWaalsContact C-N 3.26Å; E631-Y633 PolarHBondContact O-N 3.09Å; E631-V634 PolarHBondContact O-N 2.87Å
632N85.6Confident83Confident127 Ų127102.1 Ų102.168%0.67950%0.495SS*.Hα-helixtrans-65.5-22.5177.7-81.2-71.2000114.4E628 M629 I630E628-N632 WeakPolarHBondContact O-CB 3.5Å; E628-N632 PolarHBondContact O-N 3.23Å; E628-N632 PolarHBondContact O-ND2 3.03Å; M629-N632 PolarHBondContact O-N 3.23Å; I630-N632 VanDerWaalsContact C-N 3.35Å; I630-N632 PolarHBondContact O-N 2.99Å
633Y82.9Confident82.7Confident140 Ų140107.6 Ų107.655%0.54951%0.512SS..Hα-helixtrans-105.9-6.7178.2-70.7-62.1000114.3M629 I630 E631 K646M629-Y633 HydrophobicContact CG-CD2 4.01Å; M629-Y633 HydrophobicContact CG-CE2 4.1Å; M629-Y633 WeakPolarHBondContact O-CD2 3.41Å; M629-Y633 PolarHBondContact O-N 3.3Å; I630-Y633 PolarHBondContact O-N 2.87Å; I630-Y633 VanDerWaalsContact O-N 3.13Å; E631-Y633 VanDerWaalsContact C-N 3.26Å; E631-Y633 PolarHBondContact O-N 3.09Å; Y633-K646 WeakPolarHBondContact O-CB 3.49Å; Y633-K646 WeakPolarHBondContact O-CG 3.3Å; Y633-K646 PolarHBondContact O-N 2.88Å
634V88.3Confident82.4Confident42 Ų42107.6 Ų107.626%0.25551%0.505SS..EExtended strand (participates in β ladder)trans-78.9144.5171.3160.60000110.4I630 E631 W643 L645I630-V634 HydrophobicContact CG2-CG2 3.97Å; I630-V634 WeakPolarHBondContact O-CB 3.44Å; I630-V634 VanDerWaalsContact O-CG2 3.29Å; I630-V634 WeakPolarHBondContact O-CG2 3.38Å; I630-V634 PolarHBondContact O-N 2.94Å; E631-V634 PolarHBondContact O-N 2.87Å; V634-W643 HydrophobicContact CG1-CB 4.16Å; V634-W643 HydrophobicContact CG1-CD2 3.91Å; V634-W643 HydrophobicContact CG1-CE3 3.21Å; V634-W643 HydrophobicContact CG1-CG 4.34Å; V634-W643 HydrophobicContact CG1-CZ3 3.82Å; V634-L645 HydrophobicContact CG2-CB 4.16Å; V634-L645 HydrophobicContact CG2-CD1 3.77Å
635H86.3Confident82.2Confident65 Ų65102.1 Ų102.130%0.30149%0.489SS..EExtended strand (participates in β ladder)trans-143.8148.4168.669.5-51.2000110.7W643 Q644H635-W643 VanDerWaalsContact C-CE3 3.42Å; H635-Q644 PolarHBondContact N-O 3.17Å; H635-Q644 PolarHBondContact ND1-O 2.93Å; H635-Q644 PolarHBondContact O-N 2.82Å
636W86.1Confident81.4Confident119 Ų119101.3 Ų101.345%0.45148%0.479SS..EExtended strand (participates in β ladder)trans-78.8135.6174.3-178.5-109.6000109.6G641 W643W636-G641 WeakPolarHBondContact CH2-O 3.5Å; W636-W643 HydrophobicContact CB-CD2 4.33Å; W636-W643 HydrophobicContact CB-CE3 3.85Å; W636-W643 HydrophobicContact CB-CH2 4.18Å; W636-W643 HydrophobicContact CB-CZ3 3.8Å; W636-W643 HydrophobicContact CE3-CB 4.49Å; W636-W643 AromaticContact CE3-CD1 3.69Å; W636-W643 AromaticContact CE3-CD2 3.74Å; W636-W643 HydrophobicContact CE3-CD2 3.74Å; W636-W643 AromaticContact CE3-CE2 3.78Å; W636-W643 HydrophobicContact CE3-CE3 4.41Å; W636-W643 AromaticContact CE3-CG 3.73Å; W636-W643 HydrophobicContact CE3-CG 3.73Å; W636-W643 AromaticContact CE3-NE1 3.69Å; W636-W643 AromaticContact CZ3-CD1 3.71Å; W636-W643 HydrophobicContact CZ3-CG 4.14Å; W636-W643 AromaticContact CZ3-NE1 3.86Å; W636-W643 VanDerWaalsContact N-CE3 3.31Å
637N82.6Confident80.4Confident36 Ų3699.2 Ų99.219%0.19348%0.483CS..EExtended strand (participates in β ladder)trans-115105.4176.8-176.2-32.4000109.2D639 I640 G641 E642 Q644N637-D639 VanDerWaalsContact C-N 3.34Å; N637-D639 PolarHBondContact O-N 3Å; N637-D639 PolarHBondContact OD1-N 3.22Å; N637-I640 HydrophobicContact CB-CD1 4.06Å; N637-I640 HydrophobicContact CB-CG1 3.84Å; N637-I640 PolarHBondContact O-N 3.34Å; N637-G641 PolarHBondContact O-N 3.08Å; N637-E642 PolarHBondContact N-O 2.99Å; N637-E642 PolarHBondContact O-N 3.17Å; N637-Q644 HydrophobicContact CB-CG 4.22Å; N637-Q644 PolarHBondContact ND2-OE1 3.49Å
638E80.1Confident79.5Confident169 Ų169100.5 Ų100.579%0.7949%0.493SS*.THydrogen-bonded Turntrans-67.5-29.5-174.3-65-168.2152.200113.6I640E638-I640 PolarHBondContact O-N 3.07Å
639D64.2Low78.2Confident160 Ų16098.3 Ų98.386%0.85650%0.495SS*.THydrogen-bonded Turntrans-67.6-25.8-178.9-67.8-47.5000112.8N637N637-D639 VanDerWaalsContact C-N 3.34Å; N637-D639 PolarHBondContact O-N 3Å; N637-D639 PolarHBondContact OD1-N 3.22Å
640I76.1Confident76.9Confident86 Ų86102.3 Ų102.344%0.44151%0.507SS..THydrogen-bonded Turntrans-113-21.6179.467.2176.4000113.7N637 E638 E642 Q644N637-I640 HydrophobicContact CB-CD1 4.06Å; N637-I640 HydrophobicContact CB-CG1 3.84Å; N637-I640 PolarHBondContact O-N 3.34Å; E638-I640 PolarHBondContact O-N 3.07Å; I640-E642 HydrophobicContact CD1-CB 4.01Å; I640-E642 HydrophobicContact CG1-CB 4.09Å; I640-Q644 HydrophobicContact CD1-CG 3.99Å
641G77.4Confident75.9Confident39 Ų39101.4 Ų101.440%0.40251%0.505SS..THydrogen-bonded Turntrans74.934.3-177.500000114.2W636 N637W636-G641 WeakPolarHBondContact CH2-O 3.5Å; N637-G641 PolarHBondContact O-N 3.08Å
642E81.1Confident74.5Confident128 Ų12897.8 Ų97.860%0.59851%0.506SS*.EExtended strand (participates in β ladder)trans-137.4152.2-178.7-62.3-171.816100112.2N637 I640N637-E642 PolarHBondContact N-O 2.99Å; N637-E642 PolarHBondContact O-N 3.17Å; I640-E642 HydrophobicContact CD1-CB 4.01Å; I640-E642 HydrophobicContact CG1-CB 4.09Å
643W80.7Confident73.2Confident175 Ų17599.6 Ų99.666%0.66352%0.515SS*.EExtended strand (participates in β ladder)trans-78.7122.5171.2-73.1105.3000110.5V634 H635 W636V634-W643 HydrophobicContact CG1-CB 4.16Å; V634-W643 HydrophobicContact CG1-CD2 3.91Å; V634-W643 HydrophobicContact CG1-CE3 3.21Å; V634-W643 HydrophobicContact CG1-CG 4.34Å; V634-W643 HydrophobicContact CG1-CZ3 3.82Å; H635-W643 VanDerWaalsContact C-CE3 3.42Å; W636-W643 HydrophobicContact CB-CD2 4.33Å; W636-W643 HydrophobicContact CB-CE3 3.85Å; W636-W643 HydrophobicContact CB-CH2 4.18Å; W636-W643 HydrophobicContact CB-CZ3 3.8Å; W636-W643 HydrophobicContact CE3-CB 4.49Å; W636-W643 AromaticContact CE3-CD1 3.69Å; W636-W643 AromaticContact CE3-CD2 3.74Å; W636-W643 HydrophobicContact CE3-CD2 3.74Å; W636-W643 AromaticContact CE3-CE2 3.78Å; W636-W643 HydrophobicContact CE3-CE3 4.41Å; W636-W643 AromaticContact CE3-CG 3.73Å; W636-W643 HydrophobicContact CE3-CG 3.73Å; W636-W643 AromaticContact CE3-NE1 3.69Å; W636-W643 AromaticContact CZ3-CD1 3.71Å; W636-W643 HydrophobicContact CZ3-CG 4.14Å; W636-W643 AromaticContact CZ3-NE1 3.86Å; W636-W643 VanDerWaalsContact N-CE3 3.31Å
644Q83.8Confident71.8Confident77 Ų7797.4 Ų97.436%0.3651%0.513SS..EExtended strand (participates in β ladder)trans-109.6122.1178.2-68.2-170.1-35.600111.3H635 N637 I640H635-Q644 PolarHBondContact N-O 3.17Å; H635-Q644 PolarHBondContact ND1-O 2.93Å; H635-Q644 PolarHBondContact O-N 2.82Å; N637-Q644 HydrophobicContact CB-CG 4.22Å; N637-Q644 PolarHBondContact ND2-OE1 3.49Å; I640-Q644 HydrophobicContact CD1-CG 3.99Å
645L81.3Confident70.2Confident62 Ų62100.7 Ų100.733%0.32553%0.527SS..EExtended strand (participates in β ladder)trans-74.6127.3165.9-177.373.9000109.1I630 V634 V648I630-L645 HydrophobicContact CG2-CD1 4.48Å; V634-L645 HydrophobicContact CG2-CB 4.16Å; V634-L645 HydrophobicContact CG2-CD1 3.77Å; L645-V648 HydrophobicContact CB-CG2 3.67Å; L645-V648 HydrophobicContact CD2-CG2 3.86Å; L645-V648 HydrophobicContact CG-CG2 3.99Å; L645-V648 VanDerWaalsContact O-CG2 3.27Å; L645-V648 WeakPolarHBondContact O-CG2 3.33Å
646K68.8Low68.5Low108 Ų108108.9 Ų108.947%0.4756%0.555SS.*THydrogen-bonded Turntrans-66.5147.7176.4-68.6172-176.61680110.3Y633 V648Y633-K646 WeakPolarHBondContact O-CB 3.49Å; Y633-K646 WeakPolarHBondContact O-CG 3.3Å; Y633-K646 PolarHBondContact O-N 2.88Å; K646-V648 VanDerWaalsContact C-N 3.27Å; K646-V648 PolarHBondContact O-N 2.59Å
647C64Low66.8Low90 Ų90112.7 Ų112.761%0.60858%0.575SS**THydrogen-bonded Turntrans60.819.6173.7-60.70000117.2A649 Y650C647-A649 PolarHBondContact O-N 2.66Å; C647-Y650 HydrophobicContact CB-CD2 3.9Å; C647-Y650 PolarHBondContact O-N 3.02Å
648V65.3Low65.1Low63 Ų63119.8 Ų119.838%0.38261%0.607SS.*G310 helixtrans-46.9-36.3176.3165.90000114L645 K646 Y650 T651 N654L645-V648 HydrophobicContact CB-CG2 3.67Å; L645-V648 HydrophobicContact CD2-CG2 3.86Å; L645-V648 HydrophobicContact CG-CG2 3.99Å; L645-V648 VanDerWaalsContact O-CG2 3.27Å; L645-V648 WeakPolarHBondContact O-CG2 3.33Å; K646-V648 VanDerWaalsContact C-N 3.27Å; K646-V648 PolarHBondContact O-N 2.59Å; V648-Y650 PolarHBondContact O-N 3.14Å; V648-T651 WeakPolarHBondContact O-CB 3.46Å; V648-T651 PolarHBondContact O-N 3.02Å; V648-T651 VanDerWaalsContact O-N 3.15Å; V648-T651 PolarHBondContact O-OG1 3.41Å; V648-N654 WeakPolarHBondContact CG1-ND2 3.42Å; V648-N654 PolarHBondContact O-ND2 2.86Å
649A57.1Low63.5Low69 Ų69117.8 Ų117.857%0.5761%0.607SS**G310 helixtrans-60-25.6178.300000114.3C647C647-A649 PolarHBondContact O-N 2.66Å
650Y56.8Low62.6Low173 Ų173115.3 Ų115.368%0.67860%0.599SS**G310 helixtrans-93.7-0.6-179.4-57.4-78.2000113.5C647 V648 M655C647-Y650 HydrophobicContact CB-CD2 3.9Å; C647-Y650 PolarHBondContact O-N 3.02Å; V648-Y650 PolarHBondContact O-N 3.14Å; Y650-M655 WeakPolarHBondContact O-CG 3.31Å
651T61.3Low61.3Low59 Ų59117.7 Ų117.736%0.36262%0.617SS.*SBendtrans-69.8147.6175.162.20000111.2V648 N653 N654 M655V648-T651 WeakPolarHBondContact O-CB 3.46Å; V648-T651 PolarHBondContact O-N 3.02Å; V648-T651 VanDerWaalsContact O-N 3.15Å; V648-T651 PolarHBondContact O-OG1 3.41Å; T651-N653 PolarHBondContact O-N 2.96Å; T651-N654 PolarHBondContact O-N 3.36Å; T651-N654 PolarHBondContact OG1-ND2 3.42Å; T651-M655 PolarHBondContact O-N 3.29Å
652G54.7Low59.7Low67 Ų67121.4 Ų121.469%0.69163%0.634SS**THydrogen-bonded Turntrans-59.6-19.9-168.500000116.4
653N59Low57.9Low165 Ų165122.2 Ų122.288%0.88264%0.643SS**THydrogen-bonded Turntrans-83.1-24.9175.7-69.8-10.7000113.2T651T651-N653 PolarHBondContact O-N 2.96Å
654N53.9Low56.5Low93 Ų93123.5 Ų123.550%0.49765%0.653SS.*THydrogen-bonded Turntrans-92.9-26.8177.6-70-34.6000112.2V648 T651 R656V648-N654 WeakPolarHBondContact CG1-ND2 3.42Å; V648-N654 PolarHBondContact O-ND2 2.86Å; T651-N654 PolarHBondContact O-N 3.36Å; T651-N654 PolarHBondContact OG1-ND2 3.42Å; N654-R656 PolarHBondContact O-N 2.95Å
655M52.8Low54.6Low111 Ų111128.8 Ų128.855%0.54768%0.675SS.*SBendtrans-65.596.7170.3-70.6-89.4-91.600110.1Y650 T651 K657Y650-M655 WeakPolarHBondContact O-CG 3.31Å; T651-M655 PolarHBondContact O-N 3.29Å; M655-K657 PolarHBondContact O-N 3.46Å; M655-K657 VanDerWaalsContact O-N 3.13Å
656R52.1Low53.2Low238 Ų238135.1 Ų135.190%0.89870%0.703SS**  trans-48.9122.5169.2-88.6-171.6172.3-164.8-0.9109.2N654 Q658N654-R656 PolarHBondContact O-N 2.95Å; R656-Q658 PolarHBondContact O-N 3.01Å
657K49Very low51.9Low199 Ų199139 Ų13987%0.86572%0.72SS**  trans-58.9100165.7-73.4-174.4177.2-178.20108.8M655 T659M655-K657 PolarHBondContact O-N 3.46Å; M655-K657 VanDerWaalsContact O-N 3.13Å; K657-T659 PolarHBondContact O-N 3.38Å; K657-T659 VanDerWaalsContact O-N 3.14Å
658Q47.9Very low51.1Low184 Ų184139.9 Ų139.986%0.8672%0.718SS**  trans-65.8106.4155.2-68.2-171.69.300105.9R656 P660R656-Q658 PolarHBondContact O-N 3.01Å; Q658-P660 WeakPolarHBondContact O-CD 3.31Å
659T47Very low50.5Low128 Ų128142.4 Ų142.479%0.78574%0.736SS**PPolyproline II helixtrans-62.9116177.8-43.70000108.4K657K657-T659 PolarHBondContact O-N 3.38Å; K657-T659 VanDerWaalsContact O-N 3.14Å
660P45.3Very low50.3Low108 Ų108147.7 Ų147.770%0.70175%0.746SS**PPolyproline II helixtrans-62.4143172.1-1832.8000108.8Q658Q658-P660 WeakPolarHBondContact O-CD 3.31Å
661V48.7Very low49.8Very low135 Ų135147.4 Ų147.482%0.81875%0.752SS**PPolyproline II helixtrans-59.9128.2171.7-178.90000107.6D663V661-D663 PolarHBondContact O-N 2.89Å
662P43.5Very low49.5Very low117 Ų117150.1 Ų150.176%0.7677%0.768SS**  trans-71.6101.9-171.427.3-34.6000110.8
663D43.8Very low49.4Very low146 Ų146151.3 Ų151.378%0.78176%0.758SS**  trans-68.8133.4174.3-143.9-3.8000109.7V661 K665V661-D663 PolarHBondContact O-N 2.89Å; D663-K665 PolarHBondContact O-N 3.26Å; D663-K665 VanDerWaalsContact O-N 3.1Å
664K50.7Low49.1Very low202 Ų202148.6 Ų148.688%0.87874%0.743SS**  trans-76.7102.5-172.3-70.7-179.8-178.8175.80110.7
665K44.6Very low49.1Very low187 Ų187148 Ų14881%0.81375%0.746SS**  trans-127.8155.5163.2-68-170.3177.9178.80111.3D663D663-K665 PolarHBondContact O-N 3.26Å; D663-K665 VanDerWaalsContact O-N 3.1Å
666E50.5Low48.7Very low195 Ų195149.7 Ų149.791%0.91175%0.753SS**PPolyproline II helixtrans-75.9156.4-163.7-65.1163.8123.600112D668E666-D668 PolarHBondContact O-N 3.17Å
667K41.7Very low48.5Very low191 Ų191142.9 Ų142.983%0.8374%0.737SS**PPolyproline II helixtrans-72.2125.6175.8-73.8-166.4170.4-160.30110.3
668D47.3Very low48.1Very low107 Ų107142.5 Ų142.557%0.57273%0.732SS**PPolyproline II helixtrans-66.8127.3166.5-165.4-39.7000109.4E666 F670E666-D668 PolarHBondContact O-N 3.17Å; D668-F670 PolarHBondContact O-N 3.28Å; D668-F670 VanDerWaalsContact O-N 3.08Å; D668-F670 PolarHBondContact OD1-N 2.91Å; D668-F670 VanDerWaalsContact OD1-N 3.11Å
669P53.9Low48Very low117 Ų117140.9 Ų140.976%0.7673%0.728SS**THydrogen-bonded Turntrans-62.9-9.4179.5-24.235.3000115.7
670F51.4Low48Very low179 Ų179137.9 Ų137.979%0.78572%0.716SS**THydrogen-bonded Turntrans-111.812.4-172.9-65.6-81.4000115.3D668 V672D668-F670 PolarHBondContact O-N 3.28Å; D668-F670 VanDerWaalsContact O-N 3.08Å; D668-F670 PolarHBondContact OD1-N 2.91Å; D668-F670 VanDerWaalsContact OD1-N 3.11Å; F670-V672 PolarHBondContact O-N 3.06Å
671E46.7Very low48Very low168 Ų168143.4 Ų143.479%0.78573%0.725SS**  trans-69.999.9174-167.8173-13500111.2D673E671-D673 PolarHBondContact O-N 2.82Å
672V55.1Low48.3Very low115 Ų115140.7 Ų140.770%0.69771%0.709SS**  trans-75.8115.2178-179.40000109.8F670 L674F670-V672 PolarHBondContact O-N 3.06Å; V672-L674 HydrophobicContact CG1-CD2 4.27Å; V672-L674 PolarHBondContact O-N 2.94Å
673D52.4Low48.5Very low92 Ų92143.4 Ų143.449%0.49271%0.711SS.*  trans-66.4117.5175.8178.324.7000111.4E671 S675 H676E671-D673 PolarHBondContact O-N 2.82Å; D673-S675 WeakPolarHBondContact OD1-CB 3.41Å; D673-S675 PolarHBondContact OD1-N 3.38Å; D673-S675 PolarHBondContact OD1-OG 3.45Å; D673-S675 PolarHBondContact OD2-OG 2.75Å; D673-H676 PolarHBondContact O-CE1 3.2Å; D673-H676 PolarHBondContact O-NE2 2.7Å; D673-H676 IonicContact OD2-CE1 3.74Å; D673-H676 PolarHBondContact OD2-CE1 3.08Å; D673-H676 VanDerWaalsContact OD2-CE1 3.3Å; D673-H676 IonicContact OD2-ND1 3.91Å; D673-H676 PolarHBondContact OD2-ND1 3.37Å
674L53.8Low48.7Very low108 Ų108143.3 Ų143.357%0.56571%0.706SS**  trans-107.312.1175.9-61.5174000112.7V672 H676 V677V672-L674 HydrophobicContact CG1-CD2 4.27Å; V672-L674 PolarHBondContact O-N 2.94Å; L674-H676 PolarHBondContact O-N 3.41Å; L674-V677 HydrophobicContact CB-CG2 4.21Å; L674-V677 HydrophobicContact CD2-CG2 4.02Å; L674-V677 WeakPolarHBondContact O-CB 3.48Å; L674-V677 PolarHBondContact O-N 3.48Å
675S53Low48.6Very low81 Ų81136.4 Ų136.457%0.56668%0.683SS**THydrogen-bonded Turntrans-52.3-29.6179.962.30000114.1D673D673-S675 WeakPolarHBondContact OD1-CB 3.41Å; D673-S675 PolarHBondContact OD1-N 3.38Å; D673-S675 PolarHBondContact OD1-OG 3.45Å; D673-S675 PolarHBondContact OD2-OG 2.75Å
676H44.5Very low48.9Very low147 Ų147132.9 Ų132.968%0.68167%0.672SS**THydrogen-bonded Turntrans-90.20.5-177.131.2-72.3000113.9D673 L674D673-H676 PolarHBondContact O-CE1 3.2Å; D673-H676 PolarHBondContact O-NE2 2.7Å; D673-H676 IonicContact OD2-CE1 3.74Å; D673-H676 PolarHBondContact OD2-CE1 3.08Å; D673-H676 VanDerWaalsContact OD2-CE1 3.3Å; D673-H676 IonicContact OD2-ND1 3.91Å; D673-H676 PolarHBondContact OD2-ND1 3.37Å; L674-H676 PolarHBondContact O-N 3.41Å
677V47.4Very low49Very low94 Ų94132.6 Ų132.657%0.5766%0.663SS**THydrogen-bonded Turntrans-86.9-29.4175.2-1780000112.2L674L674-V677 HydrophobicContact CB-CG2 4.21Å; L674-V677 HydrophobicContact CD2-CG2 4.02Å; L674-V677 WeakPolarHBondContact O-CB 3.48Å; L674-V677 PolarHBondContact O-N 3.48Å
678Y40.8Very low49.4Very low192 Ų192129.1 Ų129.175%0.75365%0.65SS**  trans-108.5100.9-175.7-72.2-80.9000112.8A680Y678-A680 VanDerWaalsContact C-N 3.28Å; Y678-A680 PolarHBondContact O-N 3.42Å
679L46.4Very low49.4Very low149 Ų149127.7 Ų127.778%0.7865%0.648SS**  trans-7083.1165.9-81170.3000110.7Y681L679-Y681 PolarHBondContact O-N 2.81Å
680A46.6Very low49.1Very low66 Ų66128 Ų12855%0.54564%0.643SS.*  trans-66.7121.2169.600000110.4Y678 T682Y678-A680 VanDerWaalsContact C-N 3.28Å; Y678-A680 PolarHBondContact O-N 3.42Å; A680-T682 VanDerWaalsContact C-N 3.25Å; A680-T682 PolarHBondContact O-N 3.31Å
681Y45.6Very low49.1Very low224 Ų224127.3 Ų127.388%0.87864%0.644SS**  trans-75.773.3176-78.2-90.3000111.4L679L679-Y681 PolarHBondContact O-N 2.81Å
682T55.2Low49.1Very low78 Ų78127 Ų12748%0.47964%0.64SS.*  trans-91.7145.8165.460.60000110.4A680 E684 S685 L686A680-T682 VanDerWaalsContact C-N 3.25Å; A680-T682 PolarHBondContact O-N 3.31Å; T682-E684 PolarHBondContact O-N 3.22Å; T682-E684 VanDerWaalsContact O-N 3.14Å; T682-S685 WeakPolarHBondContact O-CB 3.47Å; T682-S685 PolarHBondContact O-N 3.12Å; T682-S685 VanDerWaalsContact O-N 3.09Å; T682-L686 PolarHBondContact O-N 3.46Å
683E46.4Very low48.4Very low173 Ų173128.4 Ų128.481%0.80864%0.643SS**Hα-helixtrans-58.3-29179-63.5-170.2112.900112.9L686 R687E683-L686 WeakPolarHBondContact O-CB 3.26Å; E683-L686 PolarHBondContact O-N 3.13Å; E683-R687 PolarHBondContact O-N 3.44Å
684E49.3Very low47.8Very low145 Ų145132.7 Ų132.768%0.67866%0.66SS**Hα-helixtrans-66.2-37.4178.1-167.1162-134.400112.5T682 R687 Q688T682-E684 PolarHBondContact O-N 3.22Å; T682-E684 VanDerWaalsContact O-N 3.14Å; E684-R687 PolarHBondContact O-N 3.47Å; E684-Q688 PolarHBondContact O-N 3Å
685S48.9Very low47.1Very low57 Ų57138.7 Ų138.740%0.39968%0.675SS.*Hα-helixtrans-64.2-41.6172-173.20000111.4T682 R687 Q688 S689T682-S685 WeakPolarHBondContact O-CB 3.47Å; T682-S685 PolarHBondContact O-N 3.12Å; T682-S685 VanDerWaalsContact O-N 3.09Å; S685-R687 PolarHBondContact O-N 3.32Å; S685-Q688 PolarHBondContact O-N 3.01Å; S685-S689 PolarHBondContact O-N 3.28Å
686L49.6Very low46.3Very low112 Ų112141.1 Ų141.159%0.58669%0.689SS**Hα-helixtrans-63.4-41.4177.1-151.778.5000111.8T682 E683 S689 L690T682-L686 PolarHBondContact O-N 3.46Å; E683-L686 WeakPolarHBondContact O-CB 3.26Å; E683-L686 PolarHBondContact O-N 3.13Å; L686-S689 PolarHBondContact O-N 3.15Å; L686-L690 PolarHBondContact O-N 3.2Å; L686-L690 VanDerWaalsContact O-N 3.16Å
687R54Low45.8Very low189 Ų189145.9 Ų145.971%0.71370%0.701SS**Hα-helixtrans-61.7-44.4173.5-79.1-178.2168.3-177-1.8112.6E683 E684 S685 S689 L690 M691E683-R687 PolarHBondContact O-N 3.44Å; E684-R687 PolarHBondContact O-N 3.47Å; S685-R687 PolarHBondContact O-N 3.32Å; R687-S689 VanDerWaalsContact C-N 3.29Å; R687-S689 PolarHBondContact O-N 3.17Å; R687-L690 PolarHBondContact O-N 2.96Å; R687-M691 PolarHBondContact O-N 3.44Å
688Q48.9Very low45.2Very low118 Ų118148.1 Ų148.155%0.55172%0.715SS**Hα-helixtrans-64.4-33.1176.4-75.7-161.915.500113.2E684 S685 K692E684-Q688 PolarHBondContact O-N 3Å; S685-Q688 PolarHBondContact O-N 3.01Å; Q688-K692 WeakPolarHBondContact O-CG 3.35Å
689S47.9Very low44.8Very low78 Ų78144.9 Ų144.955%0.54572%0.72SS.*Hα-helixtrans-67.3-44.8177.1-163.30000111.6S685 L686 R687 M691 K692S685-S689 PolarHBondContact O-N 3.28Å; L686-S689 PolarHBondContact O-N 3.15Å; R687-S689 VanDerWaalsContact C-N 3.29Å; R687-S689 PolarHBondContact O-N 3.17Å; S689-M691 VanDerWaalsContact C-N 3.31Å; S689-M691 PolarHBondContact O-N 3.04Å; S689-K692 PolarHBondContact O-N 3.47Å; S689-K692 VanDerWaalsContact O-N 3.1Å
690L47.7Very low44.4Very low123 Ų123148 Ų14864%0.64473%0.728SS**Hα-helixtrans-61.8-34.4177.6-74.2164.8000113.2L686 R687 K692L686-L690 PolarHBondContact O-N 3.2Å; L686-L690 VanDerWaalsContact O-N 3.16Å; R687-L690 PolarHBondContact O-N 2.96Å; L690-K692 VanDerWaalsContact C-N 3.27Å; L690-K692 PolarHBondContact O-N 2.67Å
691M50.4Low43.7Very low165 Ų165148.7 Ų148.781%0.81374%0.741SS**G310 helixtrans-71.8-13.5176.4-73.3-173.916800114.5R687 S689R687-M691 PolarHBondContact O-N 3.44Å; S689-M691 VanDerWaalsContact C-N 3.31Å; S689-M691 PolarHBondContact O-N 3.04Å
692K46.5Very low43Very low162 Ų162148.5 Ų148.570%0.70475%0.745SS**G310 helixtrans-89.75-177.6-74.6171.6179.91700114.5Q688 S689 L690Q688-K692 WeakPolarHBondContact O-CG 3.35Å; S689-K692 PolarHBondContact O-N 3.47Å; S689-K692 VanDerWaalsContact O-N 3.1Å; L690-K692 VanDerWaalsContact C-N 3.27Å; L690-K692 PolarHBondContact O-N 2.67Å
693L41.8Very low41.8Very low144 Ų144149.8 Ų149.875%0.75476%0.764SS**G310 helixtrans-96.52-175.5-87.6161000115.6
694E38.2Very low41Very low181 Ų181152.8 Ų152.885%0.84677%0.768SS**SBendtrans-79.9144.8171.8-67-147.9128.700113.1
695R39.6Very low40.6Very low234 Ų234150.1 Ų150.188%0.88376%0.763SS**PPolyproline II helixtrans-74.2140.5-165.5-66.5174.1173.3170-3.4113.5
696P37.1Very low39.9Very low132 Ų132156.6 Ų156.686%0.85778%0.784SS**PPolyproline II helixtrans-67.3143.4175.628.3-34.8000112.6
697R34Very low39.1Very low248 Ų248158 Ų15894%0.93680%0.797SS**PPolyproline II helixtrans-93.5152.6175.6-78.2-177.2171.1179.9-1.6112.6
698T34.2Very low38.1Very low141 Ų141152 Ų15287%0.86580%0.795SS**PPolyproline II helixtrans-57151.5-171.745.80000117.4
699S33.1Very low37.3Very low123 Ų123157.4 Ų157.486%0.8681%0.81SS**  trans-123.4173.515272.60000110.2
700K36.9Very low36.6Very low215 Ų215164.1 Ų164.194%0.93582%0.823SS**  trans-119.6139.4-159.6-62.1173-178.9170.90114.1
701G31.7Very low35.9Very low81 Ų81166.5 Ų166.584%0.83583%0.828SS**  trans-159.7142.816900000113.2
702K31.8Very low35Very low219 Ų219169.5 Ų169.595%0.95283%0.831SS**  trans-85.1165.4-179.5-59166.9-179.3171.10109.9
703A29.6Very low34.2Very low106 Ų106166.7 Ų166.788%0.87683%0.831SS**  cis-151-156.122.100000114.5
704R29.4Very low33.7Very low236 Ų236164.5 Ų164.589%0.89183%0.834SS**  trans-126.6179.1-168.1-136-165.3168.4-170.2-0.1108.5
705P42.3Very low33.7Very low89 Ų89164.4 Ų164.458%0.57883%0.831SS**  cis-151.9-175.36.447.2-27000120.6
706K33.8Very low33.9Very low193 Ų193158.8 Ų158.884%0.83983%0.825SS**  trans71.6145.2158.7-69.4169.3-174177.90116.4
707T33.5Very low33.7Very low141 Ų141160.1 Ų160.187%0.86582%0.82SS**  cis-143.4174.70.636.20000109.8
708G32.6Very low33.6Very low64 Ų64154.1 Ų154.166%0.6681%0.811SS**  cis143.4128.2-800000114.9
709R32Very low33.7Very low231 Ų231153 Ų15387%0.87280%0.803SS**  trans76152.9-176.1-62.8-179.6167.6178.8-2.3115
710R33.4Very low33.9Very low218 Ų218155 Ų15582%0.82380%0.803SS**  cis-149.2174.12.7-137.4176-178.2-179-1.9113.3
711K32Very low33.8Very low173 Ų173151.5 Ų151.575%0.75279%0.794SS**  trans-67.5155.9-173.6-56.9171.4171179.90117.2
712R31.1Very low34.2Very low228 Ų228152.7 Ų152.786%0.8679%0.79SS**  trans60.9156.2136.2-78.4-176.4-177.6-173.7-1.5118.8
713S30.1Very low34.2Very low103 Ų103149.7 Ų149.772%0.7278%0.783SS**  cis-174.1169.9-8.844.80000112.1
714A31.6Very low34.8Very low99 Ų99151.9 Ų151.982%0.81878%0.779SS**  trans86.3149.4155.400000120.6
715K37.2Very low35.2Very low179 Ų179153.1 Ų153.178%0.77880%0.796SS**  trans-93.1171.2162.6-58.4-177.8175.7-177.40109.7
716P44Very low34.9Very low116 Ų116156.4 Ų156.475%0.75381%0.806SS**  -124.3167.380.532.3-16.9000111.4
717E33Very low35Very low159 Ų159154.4 Ų154.474%0.74381%0.805SS**  52.2124.862.3-73.1170-150.500111.4
718T33.1Very low35Very low123 Ų123155.2 Ų155.276%0.75580%0.801SS**  cis-151.7156.442.449.50000115.2
719V35.1Very low35.2Very low116 Ų116160.5 Ų160.570%0.70381%0.81SS**  trans28.1131.8132.9-172.30000121.1
720I37.6Very low35.4Very low167 Ų167156.1 Ų156.186%0.85681%0.806SS**  trans-159.6156.4133.6-104.3159.1000109.8
721D35.3Very low35.5Very low141 Ų141152 Ų15275%0.75481%0.805SS**  trans-81.5171.3-159.8-68.6-73.7000118.4
722S39.9Very low35.8Very low105 Ų105150.5 Ų150.573%0.73481%0.808SS**  trans-65.1151.7168.157.70000114.1
723L32.7Very low36.1Very low156 Ų156144.5 Ų144.582%0.81780%0.804SS**  trans-153122.1154.8-112.5142.7000111.9
724L40.8Very low36.6Very low152 Ų152148 Ų14880%0.79681%0.811SS**  trans19136.1150.5-51.8174.8000118.5
725Q39.2Very low37.1Very low263 Ų263152.5 Ų152.5100%1.22981%0.811SS**  cis-143.6049-94.5175.5-27.700114.2

Retrieved 725 of 725 residues in 1173.9 ms (Link to these results)

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