A0A077ZHQ9_TRITR Loading...

Ribosomal protein L7

AlphaFold DB , UniProt , Accession A0A077ZHQ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 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
1M46.1Very low63.3Low229 Ų229144.5 Ų144.5100%1.12873%0.731SS**  0106.80-67.6-64.3-179.600109K3M1-K3 PolarHBondContact O-N 3.02Å
2P46.9Very low64.4Low127 Ų127144 Ų14483%0.82572%0.724SS**  trans-64.9120.2173.124.5-28.9000109.3K4P2-K4 PolarHBondContact O-N 3.37Å; P2-K4 VanDerWaalsContact O-N 3.09Å
3K51.8Low65.4Low205 Ų205142 Ų14289%0.89171%0.707SS**  trans-61.7109.2174.6-73.4178.2177.3176.40108.1M1 L5M1-K3 PolarHBondContact O-N 3.02Å; K3-L5 PolarHBondContact O-N 3.12Å
4K58.4Low66.2Low202 Ų202135.9 Ų135.988%0.87869%0.69SS**PPolyproline II helixtrans-58.1120.5170.8-74.1-178.5176.7-1800108P2P2-K4 PolarHBondContact O-N 3.37Å; P2-K4 VanDerWaalsContact O-N 3.09Å
5L58.6Low66.8Low165 Ų165138.7 Ų138.786%0.86469%0.689SS**PPolyproline II helixtrans-54.9137.6167.9-81.1152.1000108.4K3 Y7K3-L5 PolarHBondContact O-N 3.12Å; L5-Y7 PolarHBondContact O-N 2.86Å
6P64.5Low67.3Low106 Ų106133.8 Ų133.869%0.68868%0.676SS**PPolyproline II helixtrans-58.5127.4-179.222.1-30.7000109.7V8P6-V8 WeakPolarHBondContact O-CG2 3.48Å; P6-V8 PolarHBondContact O-N 3.18Å
7Y72Confident67.7Low199 Ų199137 Ų13778%0.7868%0.679SS**  trans-58110.6173175-98.8000108.4L5 D9L5-Y7 PolarHBondContact O-N 2.86Å; Y7-D9 HydrophobicContact CE1-CB 4.25Å; Y7-D9 PolarHBondContact O-N 3.18Å
8V66.6Low67.9Low79 Ų79141.3 Ų141.348%0.47969%0.686SS.*  trans-91106.1176.7-1670000107.5P6 E10 K13P6-V8 WeakPolarHBondContact O-CG2 3.48Å; P6-V8 PolarHBondContact O-N 3.18Å; V8-E10 PolarHBondContact O-N 2.79Å; V8-K13 HydrophobicContact CG1-CD 4.07Å; V8-K13 HydrophobicContact CG1-CG 4.28Å
9D77.3Confident68Low54 Ų54142.5 Ų142.529%0.28969%0.687SS.*  trans-54.2110.9179.5-176.1-2.6000110.7Y7 S11 E12 K13Y7-D9 HydrophobicContact CE1-CB 4.25Å; Y7-D9 PolarHBondContact O-N 3.18Å; D9-S11 PolarHBondContact O-N 3.24Å; D9-S11 WeakPolarHBondContact OD1-CA 3.22Å; D9-S11 WeakPolarHBondContact OD1-CB 3.35Å; D9-S11 PolarHBondContact OD1-N 3.43Å; D9-S11 PolarHBondContact OD1-OG 2.97Å; D9-S11 PolarHBondContact OD2-OG 2.99Å; D9-E12 HydrophobicContact CB-CB 4.25Å; D9-E12 HydrophobicContact CB-CG 4.18Å; D9-E12 PolarHBondContact O-N 2.68Å; D9-K13 PolarHBondContact O-N 3.16Å
10E77.4Confident68.2Low151 Ų151139.2 Ų139.271%0.70668%0.68SS**Hα-helixtrans-62.4-26.5177.8-70-157.9144.600112.1V8 K13 A14V8-E10 PolarHBondContact O-N 2.79Å; E10-K13 PolarHBondContact O-N 3.04Å; E10-A14 WeakPolarHBondContact O-CB 3.46Å; E10-A14 PolarHBondContact O-N 3.19Å
11S76.6Confident68.7Low73 Ų73137.6 Ų137.651%0.5168%0.678SS.*Hα-helixtrans-67.6-38.5176.787.70000111.2D9 A14 R15D9-S11 PolarHBondContact O-N 3.24Å; D9-S11 WeakPolarHBondContact OD1-CA 3.22Å; D9-S11 WeakPolarHBondContact OD1-CB 3.35Å; D9-S11 PolarHBondContact OD1-N 3.43Å; D9-S11 PolarHBondContact OD1-OG 2.97Å; D9-S11 PolarHBondContact OD2-OG 2.99Å; S11-A14 PolarHBondContact O-N 3.06Å; S11-R15 VanDerWaalsContact O-CB 3.26Å; S11-R15 WeakPolarHBondContact O-CB 3.36Å; S11-R15 PolarHBondContact O-N 2.85Å
12E76.7Confident70.5Confident138 Ų138131.3 Ų131.365%0.64564%0.644SS**Hα-helixtrans-65.7-43.9172.7-77-159.1141.500111.3D9 A14 R15 A16D9-E12 HydrophobicContact CB-CB 4.25Å; D9-E12 HydrophobicContact CB-CG 4.18Å; D9-E12 PolarHBondContact O-N 2.68Å; E12-A14 PolarHBondContact O-N 3.02Å; E12-R15 PolarHBondContact O-N 3.42Å; E12-A16 VanDerWaalsContact O-CB 3.3Å; E12-A16 WeakPolarHBondContact O-CB 3.1Å; E12-A16 PolarHBondContact O-N 2.89Å
13K76.8Confident72.3Confident118 Ų118134.3 Ų134.351%0.51364%0.639SS.*Hα-helixtrans-59.2-45.2174.3-77.6174.4169.7158.40111.8V8 D9 E10 A16 R17V8-K13 HydrophobicContact CG1-CD 4.07Å; V8-K13 HydrophobicContact CG1-CG 4.28Å; D9-K13 PolarHBondContact O-N 3.16Å; E10-K13 PolarHBondContact O-N 3.04Å; K13-A16 PolarHBondContact O-N 3.35Å; K13-R17 WeakPolarHBondContact O-CB 3.25Å; K13-R17 PolarHBondContact O-N 3.09Å
14A76.7Confident73.9Confident56 Ų56128.3 Ų128.346%0.46363%0.627SS.*Hα-helixtrans-65.4-40.3178.500000111.9E10 S11 E12 R17 R18E10-A14 WeakPolarHBondContact O-CB 3.46Å; E10-A14 PolarHBondContact O-N 3.19Å; S11-A14 PolarHBondContact O-N 3.06Å; E12-A14 PolarHBondContact O-N 3.02Å; A14-R17 PolarHBondContact O-N 2.74Å; A14-R18 PolarHBondContact O-N 2.94Å
15R75.9Confident75.4Confident179 Ų179124.8 Ų124.868%0.67561%0.614SS**Hα-helixtrans-67.3-40.2176.1-165.4176.1-175-171.12.6111.7S11 E12 R18 K19S11-R15 VanDerWaalsContact O-CB 3.26Å; S11-R15 WeakPolarHBondContact O-CB 3.36Å; S11-R15 PolarHBondContact O-N 2.85Å; E12-R15 PolarHBondContact O-N 3.42Å; R15-R18 PolarHBondContact O-N 3.15Å; R15-K19 WeakPolarHBondContact O-CG 3.27Å; R15-K19 PolarHBondContact O-N 3.32Å
16A74.8Confident76.7Confident59 Ų59121.4 Ų121.449%0.48859%0.591SS.*Hα-helixtrans-63.2-42.3172.300000111.3E12 K13 K19 S20E12-A16 VanDerWaalsContact O-CB 3.3Å; E12-A16 WeakPolarHBondContact O-CB 3.1Å; E12-A16 PolarHBondContact O-N 2.89Å; K13-A16 PolarHBondContact O-N 3.35Å; A16-K19 PolarHBondContact O-N 2.97Å; A16-S20 PolarHBondContact O-N 3.22Å
17R74Confident77.8Confident189 Ų189121.6 Ų121.671%0.71358%0.581SS**Hα-helixtrans-63.1-46176.1-159.8174.4-176.8-1740.6111.2K13 A14 K19 S20 V21K13-R17 WeakPolarHBondContact O-CB 3.25Å; K13-R17 PolarHBondContact O-N 3.09Å; A14-R17 PolarHBondContact O-N 2.74Å; R17-K19 VanDerWaalsContact C-N 3.33Å; R17-K19 PolarHBondContact O-N 3.29Å; R17-S20 WeakPolarHBondContact O-CA 3.38Å; R17-S20 WeakPolarHBondContact O-CB 3.46Å; R17-S20 PolarHBondContact O-N 3.01Å; R17-S20 PolarHBondContact O-OG 3.3Å; R17-V21 WeakPolarHBondContact O-CG2 3.45Å; R17-V21 PolarHBondContact O-N 3.41Å
18R70.6Confident78.6Confident215 Ų215115.6 Ų115.681%0.81156%0.564SS**Hα-helixtrans-58.9-39.4173.3-90.7-176175.3170.30112.9A14 R15 S20A14-R18 PolarHBondContact O-N 2.94Å; R15-R18 PolarHBondContact O-N 3.15Å; R18-S20 VanDerWaalsContact C-N 3.27Å; R18-S20 PolarHBondContact O-N 2.71Å
19K70.2Confident79.8Confident163 Ų163116.3 Ų116.371%0.70957%0.565SS**Hα-helixtrans-66.6-28173.7-74.1177.9179178.50112.7R15 A16 R17R15-K19 WeakPolarHBondContact O-CG 3.27Å; R15-K19 PolarHBondContact O-N 3.32Å; A16-K19 PolarHBondContact O-N 2.97Å; R17-K19 VanDerWaalsContact C-N 3.33Å; R17-K19 PolarHBondContact O-N 3.29Å
20S71.6Confident80.3Confident77 Ų77120 Ų12054%0.53858%0.575SS.*Hα-helixtrans-80.6-28.4178.978.10000114A16 R17 R18 K22A16-S20 PolarHBondContact O-N 3.22Å; R17-S20 WeakPolarHBondContact O-CA 3.38Å; R17-S20 WeakPolarHBondContact O-CB 3.46Å; R17-S20 PolarHBondContact O-N 3.01Å; R17-S20 PolarHBondContact O-OG 3.3Å; R18-S20 VanDerWaalsContact C-N 3.27Å; R18-S20 PolarHBondContact O-N 2.71Å; S20-K22 PolarHBondContact O-N 2.95Å
21V79.7Confident80.9Confident105 Ų105116 Ų11664%0.63656%0.564SS**  trans-73.9101.9178.21790000109R17R17-V21 WeakPolarHBondContact O-CG2 3.45Å; R17-V21 PolarHBondContact O-N 3.41Å
22K82.9Confident81.5Confident97 Ų97120.6 Ų120.642%0.42257%0.57SS.*  trans-81.8138.5176.3-57.3-172.3-175169.40109.9S20 Y26 F27S20-K22 PolarHBondContact O-N 2.95Å; K22-Y26 HydrophobicContact CB-CD1 3.89Å; K22-Y26 HydrophobicContact CB-CG 4.05Å; K22-Y26 HydrophobicContact CD-CD1 3.35Å; K22-Y26 HydrophobicContact CD-CD2 4.19Å; K22-Y26 HydrophobicContact CD-CE1 3.17Å; K22-Y26 HydrophobicContact CD-CE2 4.03Å; K22-Y26 HydrophobicContact CD-CG 3.86Å; K22-Y26 HydrophobicContact CG-CD1 4.22Å; K22-Y26 HydrophobicContact CG-CE1 4.44Å; K22-Y26 HydrophobicContact CG-CG 4.46Å; K22-Y26 PolarHBondContact NZ-OH 3.32Å; K22-F27 HydrophobicContact CB-CE2 3.91Å; K22-F27 HydrophobicContact CB-CZ 4.2Å
23R84.4Confident82Confident191 Ų191123.1 Ų123.172%0.72157%0.574SS**  trans-62.1152.2174.6-66-175.8177.2173.8-1.8111.2E25 Y26 F27R23-E25 PolarHBondContact O-N 3.31Å; R23-Y26 VanDerWaalsContact O-CB 3.23Å; R23-Y26 WeakPolarHBondContact O-CB 3.49Å; R23-Y26 PolarHBondContact O-N 3.12Å; R23-F27 WeakPolarHBondContact O-CD2 3.45Å
24A86.6Confident82.6Confident78 Ų78122.6 Ų122.665%0.64558%0.576SS**Hα-helixtrans-52.6-39.1175.600000112.6Y26 F27 V28A24-Y26 PolarHBondContact O-N 2.96Å; A24-F27 PolarHBondContact O-N 3.38Å; A24-V28 PolarHBondContact O-N 2.83Å; A24-V28 VanDerWaalsContact O-N 3.15Å
25E88.6Confident83.1Confident128 Ų128123.5 Ų123.560%0.59858%0.575SS**Hα-helixtrans-53-37174.8-62.8174.2165.500113.3R23 F27 V28 L29R23-E25 PolarHBondContact O-N 3.31Å; E25-F27 VanDerWaalsContact C-N 3.33Å; E25-F27 PolarHBondContact O-N 3.35Å; E25-V28 PolarHBondContact O-N 3.41Å; E25-L29 WeakPolarHBondContact O-CB 3.32Å; E25-L29 WeakPolarHBondContact O-CG 3.39Å; E25-L29 PolarHBondContact O-N 3.3Å
26Y87.4Confident83.4Confident95 Ų95118.5 Ų118.537%0.37357%0.568SS.*Hα-helixtrans-61.4-43.2177.5173.9-89.2000111.1K22 R23 A24 R30K22-Y26 HydrophobicContact CB-CD1 3.89Å; K22-Y26 HydrophobicContact CB-CG 4.05Å; K22-Y26 HydrophobicContact CD-CD1 3.35Å; K22-Y26 HydrophobicContact CD-CD2 4.19Å; K22-Y26 HydrophobicContact CD-CE1 3.17Å; K22-Y26 HydrophobicContact CD-CE2 4.03Å; K22-Y26 HydrophobicContact CD-CG 3.86Å; K22-Y26 HydrophobicContact CG-CD1 4.22Å; K22-Y26 HydrophobicContact CG-CE1 4.44Å; K22-Y26 HydrophobicContact CG-CG 4.46Å; K22-Y26 PolarHBondContact NZ-OH 3.32Å; R23-Y26 VanDerWaalsContact O-CB 3.23Å; R23-Y26 WeakPolarHBondContact O-CB 3.49Å; R23-Y26 PolarHBondContact O-N 3.12Å; A24-Y26 PolarHBondContact O-N 2.96Å; Y26-R30 WeakPolarHBondContact O-CB 3.43Å; Y26-R30 PolarHBondContact O-N 2.88Å
27F87.9Confident83.8Confident110 Ų110118 Ų11848%0.48256%0.564SS.*Hα-helixtrans-68.8-38.9179.4-64.3-83.6000111.5K22 R23 A24 E25 S31K22-F27 HydrophobicContact CB-CE2 3.91Å; K22-F27 HydrophobicContact CB-CZ 4.2Å; R23-F27 WeakPolarHBondContact O-CD2 3.45Å; A24-F27 PolarHBondContact O-N 3.38Å; E25-F27 VanDerWaalsContact C-N 3.33Å; E25-F27 PolarHBondContact O-N 3.35Å; F27-S31 WeakPolarHBondContact O-CB 3.46Å; F27-S31 PolarHBondContact O-N 3.45Å; F27-S31 PolarHBondContact O-OG 3.2Å
28V88.8Confident84.2Confident72 Ų72117.3 Ų117.344%0.43656%0.561SS.*Hα-helixtrans-64.1-49.5175.11780000111.1A24 E25 R30 S31 R32A24-V28 PolarHBondContact O-N 2.83Å; A24-V28 VanDerWaalsContact O-N 3.15Å; E25-V28 PolarHBondContact O-N 3.41Å; V28-R30 PolarHBondContact O-N 3.2Å; V28-S31 PolarHBondContact O-N 3.32Å; V28-R32 WeakPolarHBondContact O-CG 3.38Å; V28-R32 PolarHBondContact O-N 3.39Å
29L91.1Very high84.9Confident94 Ų94115.5 Ų115.549%0.49255%0.554SS.*Hα-helixtrans-62.8-41.6178.1-73.8170.7000112E25 R32 R33E25-L29 WeakPolarHBondContact O-CB 3.32Å; E25-L29 WeakPolarHBondContact O-CG 3.39Å; E25-L29 PolarHBondContact O-N 3.3Å; L29-R32 PolarHBondContact O-N 3.04Å; L29-R33 WeakPolarHBondContact O-CG 3.28Å; L29-R33 PolarHBondContact O-N 2.67Å
30R87.7Confident85.5Confident131 Ų131113.6 Ų113.649%0.49454%0.543SS..Hα-helixtrans-61.9-44.8175.7-174.8178.7-178.3-169.91.3111.2Y26 V28 R33 L34Y26-R30 WeakPolarHBondContact O-CB 3.43Å; Y26-R30 PolarHBondContact O-N 2.88Å; V28-R30 PolarHBondContact O-N 3.2Å; R30-R33 PolarHBondContact O-N 3.45Å; R30-L34 HydrophobicContact CG-CD1 4.21Å; R30-L34 WeakPolarHBondContact O-CG 3.5Å; R30-L34 PolarHBondContact O-N 2.74Å
31S89.5Confident85.9Confident67 Ų67115.6 Ų115.647%0.46955%0.547SS..Hα-helixtrans-62.6-46178.1-59.60000111.5F27 V28 R33 L34 V35F27-S31 WeakPolarHBondContact O-CB 3.46Å; F27-S31 PolarHBondContact O-N 3.45Å; F27-S31 PolarHBondContact O-OG 3.2Å; V28-S31 PolarHBondContact O-N 3.32Å; S31-R33 VanDerWaalsContact C-N 3.31Å; S31-R33 PolarHBondContact O-N 2.85Å; S31-L34 PolarHBondContact O-N 3.31Å; S31-V35 WeakPolarHBondContact O-CG2 3.32Å; S31-V35 PolarHBondContact O-N 3.16Å
32R88.7Confident85.9Confident171 Ų171114.5 Ų114.565%0.64553%0.534SS*.Hα-helixtrans-58.3-41174.9-73179.9177.1-176.60112.5V28 L29 S36V28-R32 WeakPolarHBondContact O-CG 3.38Å; V28-R32 PolarHBondContact O-N 3.39Å; L29-R32 PolarHBondContact O-N 3.04Å; R32-S36 WeakPolarHBondContact O-CB 3.47Å; R32-S36 PolarHBondContact O-N 3.15Å; R32-S36 PolarHBondContact O-OG 3.29Å
33R88.9Confident85.6Confident191 Ų191113.9 Ų113.972%0.72153%0.533SS*.Hα-helixtrans-65.4-44.7175.4-74.3178.4-177.7-178.52.4112.1L29 R30 S31 S36 A37L29-R33 WeakPolarHBondContact O-CG 3.28Å; L29-R33 PolarHBondContact O-N 2.67Å; R30-R33 PolarHBondContact O-N 3.45Å; S31-R33 VanDerWaalsContact C-N 3.31Å; S31-R33 PolarHBondContact O-N 2.85Å; R33-S36 PolarHBondContact O-N 3.2Å; R33-A37 WeakPolarHBondContact O-CB 3.48Å; R33-A37 PolarHBondContact O-N 3.17Å
34L88.1Confident85.2Confident107 Ų107106.9 Ų106.956%0.5651%0.509SS*.Hα-helixtrans-63.8-43.5178-73.3172.7000112.1R30 S31 S36 A37 R38R30-L34 HydrophobicContact CG-CD1 4.21Å; R30-L34 WeakPolarHBondContact O-CG 3.5Å; R30-L34 PolarHBondContact O-N 2.74Å; S31-L34 PolarHBondContact O-N 3.31Å; L34-S36 PolarHBondContact O-N 2.94Å; L34-A37 PolarHBondContact O-N 3.48Å; L34-R38 WeakPolarHBondContact O-CB 3.35Å; L34-R38 PolarHBondContact O-N 3.12Å
35V87.3Confident84.6Confident74 Ų74105.3 Ų105.345%0.44849%0.494SS..Hα-helixtrans-61.3-45.5175.7171.90000110.8S31 A37 R38 R39S31-V35 WeakPolarHBondContact O-CG2 3.32Å; S31-V35 PolarHBondContact O-N 3.16Å; V35-A37 PolarHBondContact O-N 3.14Å; V35-R38 PolarHBondContact O-N 3.16Å; V35-R39 WeakPolarHBondContact O-CG 3.42Å; V35-R39 PolarHBondContact O-N 3.02Å
36S83.8Confident83.6Confident75 Ų75107.8 Ų107.852%0.52450%0.498SS..Hα-helixtrans-63.2-40.9177.4-59.90000112.2R32 R33 L34 R40R32-S36 WeakPolarHBondContact O-CB 3.47Å; R32-S36 PolarHBondContact O-N 3.15Å; R32-S36 PolarHBondContact O-OG 3.29Å; R33-S36 PolarHBondContact O-N 3.2Å; L34-S36 PolarHBondContact O-N 2.94Å; S36-R40 WeakPolarHBondContact O-CB 3.49Å; S36-R40 PolarHBondContact O-N 2.99Å
37A81.4Confident82.6Confident48 Ų48106 Ų10640%0.39749%0.494SS..Hα-helixtrans-65-41.4175.500000112R33 L34 V35 R40 L41R33-A37 WeakPolarHBondContact O-CB 3.48Å; R33-A37 PolarHBondContact O-N 3.17Å; L34-A37 PolarHBondContact O-N 3.48Å; V35-A37 PolarHBondContact O-N 3.14Å; A37-R40 WeakPolarHBondContact O-CB 3.16Å; A37-R40 PolarHBondContact O-N 2.94Å; A37-L41 PolarHBondContact O-N 2.92Å
38R84.2Confident81.3Confident174 Ų174103 Ų10366%0.65749%0.485SS*.Hα-helixtrans-62.6-46.7175.6-174.9177.1-179.81691.6111.7L34 V35 R40 L41 Q42L34-R38 WeakPolarHBondContact O-CB 3.35Å; L34-R38 PolarHBondContact O-N 3.12Å; V35-R38 PolarHBondContact O-N 3.16Å; R38-R40 VanDerWaalsContact C-N 3.26Å; R38-R40 PolarHBondContact O-N 2.86Å; R38-L41 PolarHBondContact O-N 3.27Å; R38-Q42 WeakPolarHBondContact O-CG 3.31Å; R38-Q42 PolarHBondContact O-N 3.03Å
39R84.3Confident79.5Confident177 Ų177106.5 Ų106.567%0.66850%0.496SS*.Hα-helixtrans-58.1-40.5174.4-72.3-179.1-177.5-173.80.7111.4V35 Q42 H43V35-R39 WeakPolarHBondContact O-CG 3.42Å; V35-R39 PolarHBondContact O-N 3.02Å; R39-Q42 PolarHBondContact O-N 2.52Å; R39-H43 WeakPolarHBondContact O-CB 3.24Å; R39-H43 PolarHBondContact O-N 2.99Å
40R82Confident77.8Confident124 Ų124106.1 Ų106.147%0.46849%0.494SS..Hα-helixtrans-64-45.5175-174.1176.3-178.4163.2-0.8112.2S36 A37 R38 H43 L44S36-R40 WeakPolarHBondContact O-CB 3.49Å; S36-R40 PolarHBondContact O-N 2.99Å; A37-R40 WeakPolarHBondContact O-CB 3.16Å; A37-R40 PolarHBondContact O-N 2.94Å; R38-R40 VanDerWaalsContact C-N 3.26Å; R38-R40 PolarHBondContact O-N 2.86Å; R40-H43 PolarHBondContact O-N 3.25Å; R40-L44 HydrophobicContact CG-CD1 4.19Å; R40-L44 HydrophobicContact CG-CG 4.46Å; R40-L44 WeakPolarHBondContact O-CB 3.34Å; R40-L44 VanDerWaalsContact O-CG 3.27Å; R40-L44 WeakPolarHBondContact O-CG 3.36Å; R40-L44 PolarHBondContact O-N 2.93Å
41L80Confident75.8Confident119 Ų119104 Ų10462%0.62350%0.496SS*.Hα-helixtrans-62.7-42.3176.6-75.6171.7000111.8A37 R38 L44 S45A37-L41 PolarHBondContact O-N 2.92Å; R38-L41 PolarHBondContact O-N 3.27Å; L41-L44 PolarHBondContact O-N 2.73Å; L41-S45 WeakPolarHBondContact O-CB 3.42Å; L41-S45 PolarHBondContact O-N 2.94Å; L41-S45 PolarHBondContact O-OG 2.51Å
42Q80Confident74Confident81 Ų81108.7 Ų108.738%0.37951%0.511SS..Hα-helixtrans-60.3-46.4174.6-74.9175.7-15.400111.5R38 R39 S45 R46R38-Q42 WeakPolarHBondContact O-CG 3.31Å; R38-Q42 PolarHBondContact O-N 3.03Å; R39-Q42 PolarHBondContact O-N 2.52Å; Q42-S45 WeakPolarHBondContact CA-OG 2.9Å; Q42-S45 PolarHBondContact O-N 2.86Å; Q42-S45 PolarHBondContact O-OG 2.98Å; Q42-R46 WeakPolarHBondContact O-CG 3.49Å; Q42-R46 PolarHBondContact O-N 2.91Å
43H76.8Confident72.3Confident85 Ų85106.2 Ų106.239%0.39452%0.519SS..Hα-helixtrans-61.2-46.6176.1-17571.4000112.3R39 R40 S45 R46 L47R39-H43 WeakPolarHBondContact O-CB 3.24Å; R39-H43 PolarHBondContact O-N 2.99Å; R40-H43 PolarHBondContact O-N 3.25Å; H43-S45 VanDerWaalsContact C-N 3.3Å; H43-S45 PolarHBondContact O-N 2.92Å; H43-R46 PolarHBondContact O-N 3.18Å; H43-L47 PolarHBondContact O-N 3.2Å
44L76.8Confident70.9Confident43 Ų43100.1 Ų100.123%0.22551%0.506CS..Hα-helixtrans-60.9-38.8175-68.9174.9000111.8R40 L41 L47 V48 A104R40-L44 HydrophobicContact CG-CD1 4.19Å; R40-L44 HydrophobicContact CG-CG 4.46Å; R40-L44 WeakPolarHBondContact O-CB 3.34Å; R40-L44 VanDerWaalsContact O-CG 3.27Å; R40-L44 WeakPolarHBondContact O-CG 3.36Å; R40-L44 PolarHBondContact O-N 2.93Å; L41-L44 PolarHBondContact O-N 2.73Å; L44-L47 PolarHBondContact O-N 3.2Å; L44-V48 WeakPolarHBondContact O-CG2 3.44Å; L44-V48 PolarHBondContact O-N 2.97Å; L44-A104 HydrophobicContact CD2-CB 3.61Å; L44-A104 WeakPolarHBondContact CD2-O 3.33Å
45S72.8Confident69.7Low45 Ų4596.9 Ų96.932%0.31549%0.491SS..Hα-helixtrans-65.4-40.9178.472.90000111.8L41 Q42 H43 L47 V48 H49L41-S45 WeakPolarHBondContact O-CB 3.42Å; L41-S45 PolarHBondContact O-N 2.94Å; L41-S45 PolarHBondContact O-OG 2.51Å; Q42-S45 WeakPolarHBondContact CA-OG 2.9Å; Q42-S45 PolarHBondContact O-N 2.86Å; Q42-S45 PolarHBondContact O-OG 2.98Å; H43-S45 VanDerWaalsContact C-N 3.3Å; H43-S45 PolarHBondContact O-N 2.92Å; S45-L47 VanDerWaalsContact C-N 3.27Å; S45-L47 PolarHBondContact O-N 2.89Å; S45-V48 PolarHBondContact O-N 3.22Å; S45-H49 PolarHBondContact O-N 2.94Å; S45-H49 PolarHBondContact O-ND1 3.46Å
46R69.1Low69.1Low180 Ų18099.1 Ų99.168%0.67950%0.496SS*.Hα-helixtrans-60.3-37176.4-72176.6-174.8157.70.8112.2Q42 H43 V48Q42-R46 WeakPolarHBondContact O-CG 3.49Å; Q42-R46 PolarHBondContact O-N 2.91Å; H43-R46 PolarHBondContact O-N 3.18Å; R46-V48 VanDerWaalsContact C-N 3.29Å; R46-V48 PolarHBondContact O-N 3.45Å
47L64.9Low69Low58 Ų58105.1 Ų105.130%0.30451%0.507SS..Hα-helixtrans-68.7-26.7174.4-64.6174.1000112.9H43 L44 S45 A104H43-L47 PolarHBondContact O-N 3.2Å; L44-L47 PolarHBondContact O-N 3.2Å; S45-L47 VanDerWaalsContact C-N 3.27Å; S45-L47 PolarHBondContact O-N 2.89Å; L47-A104 HydrophobicContact CD1-CB 3.63Å
48V61.7Low69.4Low47 Ų47108.5 Ų108.529%0.28551%0.51SS..Hα-helixtrans-88.3-28.3-178.9175.50000113L44 S45 R46 L50 R101L44-V48 WeakPolarHBondContact O-CG2 3.44Å; L44-V48 PolarHBondContact O-N 2.97Å; S45-V48 PolarHBondContact O-N 3.22Å; R46-V48 VanDerWaalsContact C-N 3.29Å; R46-V48 PolarHBondContact O-N 3.45Å; V48-L50 PolarHBondContact O-N 3.24Å; V48-R101 HydrophobicContact CG2-CG 3.87Å
49H51Low70Confident146 Ų146100.9 Ų100.968%0.67648%0.482SS*.  trans-76.99.8179.7-73.576.1000113.9S45 T51S45-H49 PolarHBondContact O-N 2.94Å; S45-H49 PolarHBondContact O-ND1 3.46Å; H49-T51 PolarHBondContact O-N 2.84Å
50L55.1Low70.6Confident86 Ų8692.7 Ų92.745%0.4545%0.451SS..SBendtrans-61.3109.1159.9-67.8166.4000107.1V48 V55 L100V48-L50 PolarHBondContact O-N 3.24Å; L50-V55 HydrophobicContact CB-CG2 4.08Å; L50-L100 HydrophobicContact CD1-CD1 4.08Å
51T45.4Very low71.4Confident87 Ų8786.8 Ų86.853%0.53443%0.429SS..  trans-51.8142.5-175.334.80000112H49 S53 S54H49-T51 PolarHBondContact O-N 2.84Å; T51-S53 PolarHBondContact O-N 2.71Å; T51-S54 PolarHBondContact O-N 2.69Å; T51-S54 PolarHBondContact O-OG 3.2Å; T51-S54 PolarHBondContact OG1-OG 3.06Å
52E51.2Low72.3Confident165 Ų16581.1 Ų81.177%0.77140%0.399SS*.THydrogen-bonded Turntrans-57.5-21.2-170.7-71.6177.8161.900114.6K97E52-K97 HydrophobicContact CG-CD 4.46Å; E52-K97 IonicContact OE1-NZ 3.27Å; E52-K97 PolarHBondContact OE1-NZ 3.3Å
53S54.7Low73.1Confident119 Ų11977.2 Ų77.283%0.83238%0.381SS*.THydrogen-bonded Turntrans-94.4-10.6179.451.30000115.1T51T51-S53 PolarHBondContact O-N 2.71Å
54S57.9Low74.1Confident62 Ų6273.4 Ų73.443%0.43436%0.363SS..  trans-115.23.9-169.473.80000114.9T51 E56T51-S54 PolarHBondContact O-N 2.69Å; T51-S54 PolarHBondContact O-OG 3.2Å; T51-S54 PolarHBondContact OG1-OG 3.06Å; S54-E56 VanDerWaalsContact C-N 3.31Å; S54-E56 PolarHBondContact O-N 3.49Å
55V62.9Low75Confident40 Ų4071.3 Ų71.324%0.24235%0.353CS..  trans-79.390.1172.6-1750000107.5L50 R57 T95 L100L50-V55 HydrophobicContact CB-CG2 4.08Å; V55-R57 PolarHBondContact O-N 3.1Å; V55-T95 HydrophobicContact CG1-CG2 3.81Å; V55-L100 HydrophobicContact CG1-CD1 4Å; V55-L100 HydrophobicContact CG2-CD1 4.38Å
56E75.7Confident76Confident120 Ų12070.9 Ų70.956%0.56135%0.345SS*.  trans-54.4127.2170.1-71.1178.9-158.300109.4S54 R58S54-E56 VanDerWaalsContact C-N 3.31Å; S54-E56 PolarHBondContact O-N 3.49Å; E56-R58 HydrophobicContact CB-CG 4.06Å; E56-R58 PolarHBondContact O-N 3.4Å; E56-R58 IonicContact OE1-NH2 3.81Å; E56-R58 IonicContact OE2-CZ 3.03Å; E56-R58 IonicContact OE2-NE 3.59Å; E56-R58 PolarHBondContact OE2-NE 3.24Å; E56-R58 IonicContact OE2-NH2 3.69Å; E56-R58 PolarHBondContact OE2-NH2 3.04Å
57R81.1Confident77.1Confident202 Ų20263.4 Ų63.476%0.76232%0.324SS*.  trans-63.8103172.2-70.8-177.2179.4179.14107.8V55 I167V55-R57 PolarHBondContact O-N 3.1Å; R57-I167 HydrophobicContact CB-CD1 4.43Å
58R90.9Very high78.3Confident118 Ų11868.4 Ų68.445%0.44534%0.339SS..  trans-123.2143178.6-65.9-175.4-176-171.72.1110E56 T95 I167E56-R58 HydrophobicContact CB-CG 4.06Å; E56-R58 PolarHBondContact O-N 3.4Å; E56-R58 IonicContact OE1-NH2 3.81Å; E56-R58 IonicContact OE2-CZ 3.03Å; E56-R58 IonicContact OE2-NE 3.59Å; E56-R58 PolarHBondContact OE2-NE 3.24Å; E56-R58 IonicContact OE2-NH2 3.69Å; E56-R58 PolarHBondContact OE2-NH2 3.04Å; R58-T95 WeakPolarHBondContact O-CB 3.46Å; R58-T95 PolarHBondContact O-N 2.99Å; R58-T95 PolarHBondContact O-OG1 3.42Å; R58-I167 VanDerWaalsContact C-CD1 3.43Å
59L96Very high79.5Confident15 Ų1573.7 Ų73.78%0.07936%0.361CS..EExtended strand (participates in β ladder)trans-71.3134.3175-178.167.1000108.6F92 H114 P115 V120 I164 F165 I167 F171L59-F92 HydrophobicContact CD1-CB 3.99Å; L59-F92 HydrophobicContact CD1-CD1 4.15Å; L59-F92 HydrophobicContact CD1-CG 4.38Å; L59-F92 HydrophobicContact CD2-CD1 4.3Å; L59-F92 HydrophobicContact CG-CD1 4.4Å; L59-H114 PolarHBondContact O-ND1 3.41Å; L59-H114 VanDerWaalsContact O-ND1 3.15Å; L59-P115 HydrophobicContact CD2-CG 3.83Å; L59-P115 HydrophobicContact CG-CG 3.98Å; L59-V120 HydrophobicContact CD2-CG2 4.03Å; L59-I164 HydrophobicContact CD1-CG2 4.4Å; L59-I164 HydrophobicContact CD2-CG2 4.23Å; L59-F165 HydrophobicContact CD2-CD2 4.28Å; L59-I167 HydrophobicContact CB-CD1 4.22Å; L59-I167 HydrophobicContact CB-CG1 4.15Å; L59-I167 VanDerWaalsContact N-CD1 3.34Å; L59-F171 HydrophobicContact CD1-CE2 3.77Å; L59-F171 HydrophobicContact CD1-CZ 4.03Å
60I97.5Very high81.1Confident4 Ų474.4 Ų74.42%0.02137%0.369CS..EExtended strand (participates in β ladder)trans-128.3144.5170.155.2167.5000110V62 F92 L93 T95 T99 L103 G113I60-V62 HydrophobicContact CD1-CG2 3.9Å; I60-V62 HydrophobicContact CG1-CG2 4.26Å; I60-F92 WeakPolarHBondContact O-CA 3.42Å; I60-L93 HydrophobicContact CD1-CB 4.27Å; I60-L93 HydrophobicContact CG1-CB 3.99Å; I60-L93 WeakPolarHBondContact CG1-O 3.46Å; I60-L93 PolarHBondContact N-O 3.24Å; I60-L93 PolarHBondContact O-N 2.85Å; I60-T95 WeakPolarHBondContact CG2-OG1 3.38Å; I60-T99 HydrophobicContact CD1-CG2 4.02Å; I60-L103 HydrophobicContact CD1-CD1 3.54Å; I60-G113 CarbonylContact C-O 3.49Å; I60-G113 VanDerWaalsContact CA-O 3.24Å; I60-G113 WeakPolarHBondContact CA-O 3.22Å
61F98.3Very high82.8Confident0 Ų071.7 Ų71.70%036%0.355CS..EExtended strand (participates in β ladder)trans-100.4126.5166.5-173.1-100.4000108.6L63 F92 W112 G113 P115 L123 F181 L183 L214F61-L63 HydrophobicContact CD1-CB 4.36Å; F61-L63 HydrophobicContact CE1-CB 4.01Å; F61-F92 HydrophobicContact CB-CD1 4.31Å; F61-F92 HydrophobicContact CB-CE1 4.31Å; F61-F92 AromaticContact CD2-CD1 3.68Å; F61-F92 HydrophobicContact CD2-CD1 3.68Å; F61-F92 AromaticContact CD2-CE1 3.51Å; F61-F92 HydrophobicContact CD2-CE1 3.51Å; F61-F92 HydrophobicContact CD2-CG 4.34Å; F61-F92 HydrophobicContact CD2-CZ 4.08Å; F61-F92 HydrophobicContact CE2-CE1 4.26Å; F61-F92 HydrophobicContact CE2-CZ 4.4Å; F61-F92 HydrophobicContact CG-CE1 4.34Å; F61-W112 WeakPolarHBondContact O-CA 3.48Å; F61-W112 WeakPolarHBondContact O-CB 3.45Å; F61-G113 PolarHBondContact N-O 2.82Å; F61-G113 PolarHBondContact O-N 2.68Å; F61-P115 HydrophobicContact CB-CB 4.19Å; F61-P115 HydrophobicContact CB-CG 4.03Å; F61-L123 HydrophobicContact CD2-CD1 3.83Å; F61-L123 HydrophobicContact CE2-CD1 3.6Å; F61-L123 HydrophobicContact CE2-CD2 4.29Å; F61-L123 HydrophobicContact CG-CD1 4.37Å; F61-L123 HydrophobicContact CZ-CD1 3.99Å; F61-L123 HydrophobicContact CZ-CD2 4.08Å; F61-F181 AromaticContact CE2-CD2 3.74Å; F61-F181 HydrophobicContact CE2-CD2 3.74Å; F61-F181 HydrophobicContact CE2-CE2 4.26Å; F61-F181 HydrophobicContact CE2-CG 4.49Å; F61-F181 HydrophobicContact CZ-CD2 4.33Å; F61-L183 HydrophobicContact CE1-CD1 4.08Å; F61-L183 HydrophobicContact CZ-CD1 4.08Å; F61-L214 HydrophobicContact CD1-CD1 4.17Å; F61-L214 HydrophobicContact CD1-CD2 3.71Å; F61-L214 HydrophobicContact CD1-CG 4.45Å; F61-L214 HydrophobicContact CE1-CD2 3.44Å; F61-L214 VanDerWaalsContact CE1-CD2 3.44Å; F61-L214 HydrophobicContact CG-CD1 4.44Å; F61-L214 HydrophobicContact CZ-CD2 4.15Å
62V98.3Very high85Confident0 Ų073.3 Ų73.30%036%0.356CS..EExtended strand (participates in β ladder)trans-113.4126.8-179.7-170.50000108.9I60 L84 G90 V91 L93 L103 I110 W112I60-V62 HydrophobicContact CD1-CG2 3.9Å; I60-V62 HydrophobicContact CG1-CG2 4.26Å; V62-L84 HydrophobicContact CB-CD1 4.35Å; V62-L84 HydrophobicContact CG1-CD1 3.64Å; V62-G90 CarbonylContact O-C 3.49Å; V62-G90 WeakPolarHBondContact O-CA 3.47Å; V62-V91 HydrophobicContact CB-CG2 4.39Å; V62-V91 PolarHBondContact N-O 3.15Å; V62-V91 PolarHBondContact O-N 3.34Å; V62-L93 HydrophobicContact CB-CD1 4.43Å; V62-L93 HydrophobicContact CG2-CD1 3.7Å; V62-L93 HydrophobicContact CG2-CG 4.27Å; V62-L103 HydrophobicContact CB-CD2 4.49Å; V62-L103 HydrophobicContact CG1-CD2 3.73Å; V62-L103 HydrophobicContact CG2-CD2 3.89Å; V62-I110 HydrophobicContact CG1-CB 4.18Å; V62-I110 HydrophobicContact CG1-CD1 4.08Å; V62-I110 HydrophobicContact CG1-CG2 4.49Å; V62-W112 HydrophobicContact CB-CB 4.34Å; V62-W112 HydrophobicContact CG1-CB 4.31Å; V62-W112 HydrophobicContact CG2-CB 3.92Å
63L98.1Very high87.1Confident0 Ų070 Ų700%035%0.349CS..EExtended strand (participates in β ladder)trans-123132-175.8174.963.2000110.4F61 S89 I110 T111 L183 W190 L213 M217F61-L63 HydrophobicContact CD1-CB 4.36Å; F61-L63 HydrophobicContact CE1-CB 4.01Å; L63-S89 WeakPolarHBondContact CA-O 3.45Å; L63-S89 WeakPolarHBondContact CD1-O 3.38Å; L63-I110 CarbonylContact O-C 3.51Å; L63-I110 WeakPolarHBondContact O-CA 3.28Å; L63-T111 HydrophobicContact CB-CG2 3.87Å; L63-T111 HydrophobicContact CD2-CG2 4.05Å; L63-T111 HydrophobicContact CG-CG2 4.24Å; L63-T111 PolarHBondContact N-O 2.77Å; L63-T111 PolarHBondContact O-N 2.86Å; L63-L183 HydrophobicContact CD1-CD1 3.86Å; L63-W190 HydrophobicContact CD2-CH2 3.91Å; L63-L213 HydrophobicContact CD2-CD2 3.82Å; L63-L213 HydrophobicContact CD2-CG 4.49Å; L63-M217 HydrophobicContact CD1-CE 4.19Å; L63-M217 HydrophobicContact CD2-CE 3.78Å; L63-M217 HydrophobicContact CD2-SD 3.57Å; L63-M217 VanDerWaalsContact CD2-SD 3.57Å
64R97.4Very high89Confident4 Ų471.2 Ų71.22%0.01534%0.339CS..EExtended strand (participates in β ladder)trans-87.1117.6174.2177.9168170.2-174.2-1.4111.5K66 G67 L84 R85 Y86 N88 S89 I110R64-K66 WeakPolarHBondContact CG-O 3.15Å; R64-K66 PolarHBondContact NE-O 2.64Å; R64-K66 PolarHBondContact NH2-O 2.8Å; R64-G67 PolarHBondContact NH2-O 3.21Å; R64-L84 HydrophobicContact CB-CB 4.13Å; R64-L84 HydrophobicContact CB-CD1 4.46Å; R64-L84 HydrophobicContact CB-CD2 4.28Å; R64-L84 WeakPolarHBondContact CD-O 3.27Å; R64-L84 PolarHBondContact NH1-O 3.4Å; R64-R85 PolarHBondContact NH1-O 2.82Å; R64-Y86 VanDerWaalsContact CD-O 3.28Å; R64-Y86 WeakPolarHBondContact CD-O 3.14Å; R64-N88 WeakPolarHBondContact O-CA 3.49Å; R64-N88 PolarHBondContact O-N 3.02Å; R64-S89 PolarHBondContact N-O 2.94Å; R64-I110 HydrophobicContact CB-CG2 4.36Å
65I95.8Very high90.8Very high0 Ų069.1 Ų69.10%032%0.324CS..  trans-97.4-16.9-17563.7160.1000114.3F109 T111 W190 K193 D202 F203I65-F109 WeakPolarHBondContact CG1-O 3.45Å; I65-F109 PolarHBondContact N-O 3.3Å; I65-T111 HydrophobicContact CG2-CG2 3.59Å; I65-W190 HydrophobicContact CB-CH2 4.07Å; I65-W190 HydrophobicContact CB-CZ2 4.18Å; I65-W190 HydrophobicContact CB-CZ3 4.24Å; I65-W190 HydrophobicContact CG2-CE3 4.33Å; I65-W190 HydrophobicContact CG2-CH2 3.4Å; I65-W190 VanDerWaalsContact CG2-CH2 3.4Å; I65-W190 HydrophobicContact CG2-CZ2 3.97Å; I65-W190 HydrophobicContact CG2-CZ3 3.6Å; I65-K193 HydrophobicContact CD1-CB 4.41Å; I65-K193 HydrophobicContact CD1-CG 4.5Å; I65-K193 WeakPolarHBondContact O-CD 3.45Å; I65-K193 VanDerWaalsContact O-CE 3.22Å; I65-K193 WeakPolarHBondContact O-CE 3.24Å; I65-K193 PolarHBondContact O-NZ 3.19Å; I65-D202 HydrophobicContact CD1-CB 3.87Å; I65-F203 HydrophobicContact CD1-CB 3.59Å
66K93.6Very high92.4Very high35 Ų3573 Ų7315%0.15234%0.337CS..SBendtrans-118.8143.9-176.2-80.5-176.2-177.3148.80112.4R64 R108 F109 K193R64-K66 WeakPolarHBondContact CG-O 3.15Å; R64-K66 PolarHBondContact NE-O 2.64Å; R64-K66 PolarHBondContact NH2-O 2.8Å; K66-R108 WeakPolarHBondContact CD-O 3.38Å; K66-R108 WeakPolarHBondContact CE-O 3.35Å; K66-R108 PolarHBondContact NZ-O 3Å; K66-F109 HydrophobicContact CB-CB 4.46Å; K66-F109 HydrophobicContact CB-CD1 3.61Å; K66-F109 HydrophobicContact CB-CE1 4.3Å; K66-F109 HydrophobicContact CB-CG 4.39Å; K66-F109 HydrophobicContact CD-CD1 4.04Å; K66-F109 HydrophobicContact CD-CE1 4.3Å; K66-F109 HydrophobicContact CG-CD1 4.48Å; K66-F109 PolarHBondContact N-O 3.2Å; K66-K193 WeakPolarHBondContact CE-O 3.43Å; K66-K193 HydrophobicContact CG-CB 4.36Å; K66-K193 HydrophobicContact CG-CD 4.28Å; K66-K193 PolarHBondContact NZ-O 3Å
67G92.3Very high93.4Very high24 Ų2474.3 Ų74.325%0.24734%0.341CS..  trans-64.4-165.3171.300000115.1R64 E87R64-G67 PolarHBondContact NH2-O 3.21Å; G67-E87 WeakPolarHBondContact CA-OE2 3.34Å; G67-E87 PolarHBondContact N-OE2 2.9Å; G67-E87 VanDerWaalsContact N-OE2 3.13Å
68R89.1Confident94.1Very high163 Ų16365.5 Ų65.562%0.61531%0.309SS*.SBendtrans-85.6-8.8-172.9-68179174.9-176.8-0.6114.6R85R68-R85 PolarHBondContact NE-O 3.05Å; R68-R85 PolarHBondContact NH2-O 2.87Å
69Q87.5Confident94.4Very high158 Ų15859.9 Ų59.974%0.73829%0.288SS*.THydrogen-bonded Turntrans-64.2139.3-173.8-65.4-65.2-6.700112.6M71Q69-M71 VanDerWaalsContact C-N 3.28Å; Q69-M71 PolarHBondContact O-N 3.41Å
70N84Confident94.4Very high160 Ų16062.6 Ų62.686%0.85630%0.302SS*.THydrogen-bonded Turntrans52.738.5172.6-62.5-30.7000115.1
71M90.6Very high94.4Very high30 Ų3068 Ų6815%0.14833%0.33CS..  trans-94121.2-178.5-171.1178.5-68.700111.5Q69 V75 K76 L79 F109Q69-M71 VanDerWaalsContact C-N 3.28Å; Q69-M71 PolarHBondContact O-N 3.41Å; M71-V75 HydrophobicContact CG-CB 3.93Å; M71-V75 HydrophobicContact CG-CG1 3.95Å; M71-V75 HydrophobicContact SD-CG1 4.34Å; M71-K76 HydrophobicContact CG-CB 4.08Å; M71-K76 WeakPolarHBondContact SD-CA 3.46Å; M71-K76 HydrophobicContact SD-CB 3.57Å; M71-K76 VanDerWaalsContact SD-CB 3.57Å; M71-K76 HydrophobicContact SD-CG 4.09Å; M71-L79 HydrophobicContact CE-CD1 3.29Å; M71-L79 HydrophobicContact SD-CD1 3.65Å; M71-F109 HydrophobicContact CB-CE1 4.32Å; M71-F109 HydrophobicContact CB-CZ 4.21Å; M71-F109 HydrophobicContact CE-CD1 3.59Å; M71-F109 HydrophobicContact CE-CE1 3.65Å; M71-F109 HydrophobicContact CE-CG 4.24Å; M71-F109 HydrophobicContact CE-CZ 4.34Å; M71-F109 HydrophobicContact CG-CE1 4.37Å; M71-F109 HydrophobicContact CG-CZ 4.18Å
72H93.2Very high94.3Very high121 Ų12168.3 Ų68.356%0.5633%0.332SS*.  trans-58.8138.5171.8-173.6-88.2000110.5K74 V75 K76H72-K74 VanDerWaalsContact ND1-CB 3.33Å; H72-K74 WeakPolarHBondContact ND1-CB 3.38Å; H72-K74 PolarHBondContact ND1-N 3.21Å; H72-K74 VanDerWaalsContact ND1-N 3.19Å; H72-K74 PolarHBondContact O-N 3.02Å; H72-K74 VanDerWaalsContact O-N 3.11Å; H72-V75 HydrophobicContact CB-CG2 4.24Å; H72-V75 WeakPolarHBondContact O-CA 3.27Å; H72-V75 WeakPolarHBondContact O-CB 3.46Å; H72-V75 PolarHBondContact O-N 2.93Å; H72-K76 PolarHBondContact O-N 2.89Å; H72-K76 VanDerWaalsContact O-N 3.08Å
73P95.3Very high94.2Very high96 Ų9671 Ų7162%0.62334%0.343SS*.Hα-helixtrans-51.9-39.2-176.7-29.835.4000114.2V75 K76 K77P73-V75 VanDerWaalsContact C-N 3.34Å; P73-V75 PolarHBondContact O-N 2.97Å; P73-K76 WeakPolarHBondContact O-CB 3.42Å; P73-K76 PolarHBondContact O-N 3.2Å; P73-K77 PolarHBondContact O-N 3.39Å
74K94.2Very high94.1Very high144 Ų14471 Ų7163%0.62634%0.343SS*.Hα-helixtrans-58.3-42.1174.2-170174.8-179.2173.10112.8H72 K77 I78H72-K74 VanDerWaalsContact ND1-CB 3.33Å; H72-K74 WeakPolarHBondContact ND1-CB 3.38Å; H72-K74 PolarHBondContact ND1-N 3.21Å; H72-K74 VanDerWaalsContact ND1-N 3.19Å; H72-K74 PolarHBondContact O-N 3.02Å; H72-K74 VanDerWaalsContact O-N 3.11Å; K74-K77 PolarHBondContact O-N 3.15Å; K74-I78 HydrophobicContact CG-CD1 4.26Å; K74-I78 VanDerWaalsContact O-CG1 3.28Å; K74-I78 WeakPolarHBondContact O-CG1 3.45Å; K74-I78 PolarHBondContact O-N 2.92Å; K74-I78 VanDerWaalsContact O-N 3.09Å
75V95.5Very high94Very high17 Ų1777.6 Ų77.610%0.10337%0.367CS..Hα-helixtrans-70-39.2178.41790000110.5M71 H72 P73 K77 I78 L79 A106 F109M71-V75 HydrophobicContact CG-CB 3.93Å; M71-V75 HydrophobicContact CG-CG1 3.95Å; M71-V75 HydrophobicContact SD-CG1 4.34Å; H72-V75 HydrophobicContact CB-CG2 4.24Å; H72-V75 WeakPolarHBondContact O-CA 3.27Å; H72-V75 WeakPolarHBondContact O-CB 3.46Å; H72-V75 PolarHBondContact O-N 2.93Å; P73-V75 VanDerWaalsContact C-N 3.34Å; P73-V75 PolarHBondContact O-N 2.97Å; V75-K77 VanDerWaalsContact C-N 3.34Å; V75-K77 PolarHBondContact O-N 3.07Å; V75-I78 PolarHBondContact O-N 3.37Å; V75-L79 HydrophobicContact CG1-CD1 4.15Å; V75-L79 HydrophobicContact CG1-CG 4.39Å; V75-L79 WeakPolarHBondContact O-CG 3.37Å; V75-L79 PolarHBondContact O-N 2.74Å; V75-A106 HydrophobicContact CG1-CB 4.2Å; V75-F109 HydrophobicContact CG1-CD2 3.63Å; V75-F109 HydrophobicContact CG1-CE2 3.85Å; V75-F109 HydrophobicContact CG1-CG 4.31Å
76K95.9Very high93.9Very high121 Ų12183.2 Ų83.253%0.52639%0.389SS..Hα-helixtrans-58.9-44.8174.1-172.6179.7176.7-176.60111.7M71 H72 P73 L79 N80M71-K76 HydrophobicContact CG-CB 4.08Å; M71-K76 WeakPolarHBondContact SD-CA 3.46Å; M71-K76 HydrophobicContact SD-CB 3.57Å; M71-K76 VanDerWaalsContact SD-CB 3.57Å; M71-K76 HydrophobicContact SD-CG 4.09Å; H72-K76 PolarHBondContact O-N 2.89Å; H72-K76 VanDerWaalsContact O-N 3.08Å; P73-K76 WeakPolarHBondContact O-CB 3.42Å; P73-K76 PolarHBondContact O-N 3.2Å; K76-L79 PolarHBondContact O-N 2.95Å; K76-N80 WeakPolarHBondContact O-CB 3.24Å; K76-N80 VanDerWaalsContact O-CG 3.25Å; K76-N80 PolarHBondContact O-N 3.46Å
77K96.6Very high94Very high148 Ų14885 Ų8564%0.64340%0.398SS*.Hα-helixtrans-61.4-45176.2-169.9172.2-177.7175.90111.6P73 K74 V75 N80 L81P73-K77 PolarHBondContact O-N 3.39Å; K74-K77 PolarHBondContact O-N 3.15Å; V75-K77 VanDerWaalsContact C-N 3.34Å; V75-K77 PolarHBondContact O-N 3.07Å; K77-N80 PolarHBondContact O-N 2.96Å; K77-L81 HydrophobicContact CG-CD1 4.47Å; K77-L81 WeakPolarHBondContact O-CG 3.45Å; K77-L81 PolarHBondContact O-N 3.25Å
78I96.6Very high94.2Very high17 Ų1784.5 Ų84.59%0.08739%0.39CS..Hα-helixtrans-61.5-48.3177.7-68.4166.1000111.4K74 V75 N80 L81 L82 M102 A105 A106K74-I78 HydrophobicContact CG-CD1 4.26Å; K74-I78 VanDerWaalsContact O-CG1 3.28Å; K74-I78 WeakPolarHBondContact O-CG1 3.45Å; K74-I78 PolarHBondContact O-N 2.92Å; K74-I78 VanDerWaalsContact O-N 3.09Å; V75-I78 PolarHBondContact O-N 3.37Å; I78-N80 VanDerWaalsContact C-N 3.27Å; I78-N80 PolarHBondContact O-N 3.02Å; I78-L81 WeakPolarHBondContact O-CB 3.32Å; I78-L81 PolarHBondContact O-N 3.38Å; I78-L81 VanDerWaalsContact O-N 3.15Å; I78-L82 HydrophobicContact CG2-CD1 4.09Å; I78-L82 HydrophobicContact CG2-CG 4.49Å; I78-L82 WeakPolarHBondContact O-CG 3.41Å; I78-L82 PolarHBondContact O-N 3.24Å; I78-M102 HydrophobicContact CG2-CB 3.91Å; I78-M102 HydrophobicContact CG2-CE 3.92Å; I78-M102 HydrophobicContact CG2-CG 4.31Å; I78-A105 HydrophobicContact CD1-CB 3.52Å; I78-A106 HydrophobicContact CB-CB 4.48Å; I78-A106 HydrophobicContact CG2-CB 3.77Å
79L97Very high94.6Very high0 Ų076.9 Ų76.90%036%0.362CS..Hα-helixtrans-62.5-35.4178.6-69.3174.1000112.6M71 V75 K76 L82 R83 L84 A106 F109 I110M71-L79 HydrophobicContact CE-CD1 3.29Å; M71-L79 HydrophobicContact SD-CD1 3.65Å; V75-L79 HydrophobicContact CG1-CD1 4.15Å; V75-L79 HydrophobicContact CG1-CG 4.39Å; V75-L79 WeakPolarHBondContact O-CG 3.37Å; V75-L79 PolarHBondContact O-N 2.74Å; K76-L79 PolarHBondContact O-N 2.95Å; L79-L82 PolarHBondContact O-N 2.96Å; L79-R83 PolarHBondContact O-N 3.32Å; L79-L84 HydrophobicContact CD2-CB 4.19Å; L79-L84 HydrophobicContact CD2-CD1 4.34Å; L79-L84 PolarHBondContact O-N 3.3Å; L79-A106 HydrophobicContact CD2-CB 4.19Å; L79-F109 HydrophobicContact CD1-CB 4.13Å; L79-F109 HydrophobicContact CD1-CG 4.43Å; L79-I110 HydrophobicContact CD2-CG2 3.42Å; L79-I110 VanDerWaalsContact CD2-CG2 3.42Å
80N96.3Very high95.1Very high73 Ų7369.4 Ų69.439%0.3933%0.327SS..Hα-helixtrans-65.8-41.4174.5-73.7-13.4000112.1K76 K77 I78 L82 R83K76-N80 WeakPolarHBondContact O-CB 3.24Å; K76-N80 VanDerWaalsContact O-CG 3.25Å; K76-N80 PolarHBondContact O-N 3.46Å; K77-N80 PolarHBondContact O-N 2.96Å; I78-N80 VanDerWaalsContact C-N 3.27Å; I78-N80 PolarHBondContact O-N 3.02Å; N80-L82 VanDerWaalsContact C-N 3.32Å; N80-R83 PolarHBondContact O-N 3.05Å
81L96.1Very high95.8Very high116 Ų11661.9 Ų61.961%0.60729%0.286SS*.Hα-helixtrans-63.2-38.4175.4-71.9169.7000111.7K77 I78 R83 M102K77-L81 HydrophobicContact CG-CD1 4.47Å; K77-L81 WeakPolarHBondContact O-CG 3.45Å; K77-L81 PolarHBondContact O-N 3.25Å; I78-L81 WeakPolarHBondContact O-CB 3.32Å; I78-L81 PolarHBondContact O-N 3.38Å; I78-L81 VanDerWaalsContact O-N 3.15Å; L81-R83 PolarHBondContact O-N 2.91Å; L81-M102 HydrophobicContact CB-CE 3.49Å; L81-M102 VanDerWaalsContact CB-CE 3.49Å; L81-M102 HydrophobicContact CD1-CE 4.04Å; L81-M102 HydrophobicContact CG-CE 4.43Å
82L96.2Very high96.2Very high8 Ų860.4 Ų60.44%0.04228%0.279CS..THydrogen-bonded Turntrans-75.33173.3-59174.7000113.4I78 L79 N80 L84 V91 L93 M102 L103I78-L82 HydrophobicContact CG2-CD1 4.09Å; I78-L82 HydrophobicContact CG2-CG 4.49Å; I78-L82 WeakPolarHBondContact O-CG 3.41Å; I78-L82 PolarHBondContact O-N 3.24Å; L79-L82 PolarHBondContact O-N 2.96Å; N80-L82 VanDerWaalsContact C-N 3.32Å; L82-L84 HydrophobicContact CB-CD1 4.06Å; L82-L84 HydrophobicContact CB-CG 4.11Å; L82-L84 HydrophobicContact CD1-CD1 4.32Å; L82-L84 PolarHBondContact O-N 2.94Å; L82-L84 VanDerWaalsContact O-N 3.14Å; L82-V91 WeakPolarHBondContact O-CG2 3.43Å; L82-L93 HydrophobicContact CD2-CD1 3.65Å; L82-M102 HydrophobicContact CD1-CE 4.48Å; L82-M102 HydrophobicContact CD2-CB 4.4Å; L82-M102 HydrophobicContact CD2-CE 3.53Å; L82-M102 HydrophobicContact CD2-SD 4.19Å; L82-M102 HydrophobicContact CG-CE 3.66Å; L82-L103 HydrophobicContact CD1-CD2 4.47Å
83R96.8Very high96.3Very high57 Ų5755.9 Ų55.922%0.21526%0.259CS..THydrogen-bonded Turntrans6312.7-175.7-52.716363-153.95.2114.8L79 N80 L81 R85 V91 N175 V178 P180L79-R83 PolarHBondContact O-N 3.32Å; N80-R83 PolarHBondContact O-N 3.05Å; L81-R83 PolarHBondContact O-N 2.91Å; R83-R85 PolarHBondContact O-N 3.01Å; R83-R85 VanDerWaalsContact O-N 3.1Å; R83-V91 HydrophobicContact CB-CG1 4.26Å; R83-N175 PolarHBondContact NH1-O 3.2Å; R83-N175 PolarHBondContact NH2-O 2.86Å; R83-V178 PolarHBondContact NH2-O 3.31Å; R83-P180 HydrophobicContact CB-CG 3.76Å
84L97.3Very high96.3Very high0 Ų052.9 Ų52.90%024%0.238CC..  trans-87.463.2-179.4-67.1176.2000112.5V62 R64 L79 L82 S89 V91 I110V62-L84 HydrophobicContact CB-CD1 4.35Å; V62-L84 HydrophobicContact CG1-CD1 3.64Å; R64-L84 HydrophobicContact CB-CB 4.13Å; R64-L84 HydrophobicContact CB-CD1 4.46Å; R64-L84 HydrophobicContact CB-CD2 4.28Å; R64-L84 WeakPolarHBondContact CD-O 3.27Å; R64-L84 PolarHBondContact NH1-O 3.4Å; L79-L84 HydrophobicContact CD2-CB 4.19Å; L79-L84 HydrophobicContact CD2-CD1 4.34Å; L79-L84 PolarHBondContact O-N 3.3Å; L82-L84 HydrophobicContact CB-CD1 4.06Å; L82-L84 HydrophobicContact CB-CG 4.11Å; L82-L84 HydrophobicContact CD1-CD1 4.32Å; L82-L84 PolarHBondContact O-N 2.94Å; L82-L84 VanDerWaalsContact O-N 3.14Å; L84-S89 WeakPolarHBondContact CD2-O 3.35Å; L84-V91 HydrophobicContact CD2-CG1 4.41Å; L84-V91 HydrophobicContact CD2-CG2 4.09Å; L84-V91 HydrophobicContact CG-CG2 4.27Å; L84-I110 HydrophobicContact CD1-CG2 3.81Å
85R94.4Very high96.1Very high141 Ų14146.8 Ų46.853%0.53221%0.212SC..  trans-78.7-24-172.7-63.8-177.3-176.4179.12114.9R64 R68 R83R64-R85 PolarHBondContact NH1-O 2.82Å; R68-R85 PolarHBondContact NE-O 3.05Å; R68-R85 PolarHBondContact NH2-O 2.87Å; R83-R85 PolarHBondContact O-N 3.01Å; R83-R85 VanDerWaalsContact O-N 3.1Å
86Y94.7Very high95.8Very high119 Ų11949 Ų4947%0.46722%0.224SC..SBendtrans-121.5155.7-173.6-57-80.2000111.1R64 S89R64-Y86 VanDerWaalsContact CD-O 3.28Å; R64-Y86 WeakPolarHBondContact CD-O 3.14Å; Y86-S89 WeakPolarHBondContact O-CB 3.33Å; Y86-S89 PolarHBondContact O-N 2.85Å; Y86-S89 PolarHBondContact O-OG 3Å
87E95.6Very high95.5Very high72 Ų7246.2 Ų46.234%0.33621%0.212SC..THydrogen-bonded Turntrans-65.7149.3169.1-175.9170.5169.200110.3G67 S89 K193G67-E87 WeakPolarHBondContact CA-OE2 3.34Å; G67-E87 PolarHBondContact N-OE2 2.9Å; G67-E87 VanDerWaalsContact N-OE2 3.13Å; E87-S89 PolarHBondContact O-N 3.05Å; E87-S89 VanDerWaalsContact O-N 3.12Å; E87-K193 IonicContact OE1-NZ 2.93Å; E87-K193 PolarHBondContact OE1-NZ 3.26Å
88N96.4Very high95.2Very high14 Ų1441.6 Ų41.68%0.07520%0.201CC..THydrogen-bonded Turntrans53.526.9-173.6-53.8-19000113.3R64 L183 K185 W190 M217R64-N88 WeakPolarHBondContact O-CA 3.49Å; R64-N88 PolarHBondContact O-N 3.02Å; N88-L183 WeakPolarHBondContact CB-O 3.02Å; N88-L183 PolarHBondContact O-N 2.93Å; N88-K185 VanDerWaalsContact ND2-CG 3.32Å; N88-K185 WeakPolarHBondContact ND2-CG 3.37Å; N88-W190 WeakPolarHBondContact OD1-CZ2 3.46Å; N88-M217 HydrophobicContact CB-CE 4.14Å
89S97.3Very high95Very high3 Ų341.5 Ų41.52%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-90.5142.7167.662.20000110.5L63 R64 L84 Y86 E87 F181L63-S89 WeakPolarHBondContact CA-O 3.45Å; L63-S89 WeakPolarHBondContact CD1-O 3.38Å; R64-S89 PolarHBondContact N-O 2.94Å; L84-S89 WeakPolarHBondContact CD2-O 3.35Å; Y86-S89 WeakPolarHBondContact O-CB 3.33Å; Y86-S89 PolarHBondContact O-N 2.85Å; Y86-S89 PolarHBondContact O-OG 3Å; E87-S89 PolarHBondContact O-N 3.05Å; E87-S89 VanDerWaalsContact O-N 3.12Å; S89-F181 CarbonylContact C-O 3.57Å; S89-F181 WeakPolarHBondContact CA-O 3.44Å
90G98Very high94.8Very high0 Ų043.2 Ų43.20%021%0.21CC..EExtended strand (participates in β ladder)trans-135.1154.5178.700000113.7V62 P180 F181V62-G90 CarbonylContact O-C 3.49Å; V62-G90 WeakPolarHBondContact O-CA 3.47Å; G90-P180 CarbonylContact O-C 3.57Å; G90-P180 WeakPolarHBondContact O-CA 3.28Å; G90-F181 PolarHBondContact N-O 3.33Å; G90-F181 WeakPolarHBondContact O-CD2 3.47Å; G90-F181 PolarHBondContact O-N 3.38Å
91V98Very high94.7Very high2 Ų245.8 Ų45.81%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-144.2151.7177.9-65.90000110.7V62 L82 R83 L84 L93 P180V62-V91 HydrophobicContact CB-CG2 4.39Å; V62-V91 PolarHBondContact N-O 3.15Å; V62-V91 PolarHBondContact O-N 3.34Å; L82-V91 WeakPolarHBondContact O-CG2 3.43Å; R83-V91 HydrophobicContact CB-CG1 4.26Å; L84-V91 HydrophobicContact CD2-CG1 4.41Å; L84-V91 HydrophobicContact CD2-CG2 4.09Å; L84-V91 HydrophobicContact CG-CG2 4.27Å; V91-L93 HydrophobicContact CG2-CD1 4.39Å; V91-L93 HydrophobicContact CG2-CD2 4.37Å; V91-L93 HydrophobicContact CG2-CG 4.12Å; V91-P180 HydrophobicContact CG1-CB 3.76Å; V91-P180 HydrophobicContact CG1-CG 4.04Å
92F98.2Very high94.6Very high0 Ų042.3 Ų42.30%020%0.196CC..EExtended strand (participates in β ladder)trans-82140.3165.9-64.7-63.6000110.1L59 I60 F61 P115 V120 L123 I124 I164 F171 N175 F181L59-F92 HydrophobicContact CD1-CB 3.99Å; L59-F92 HydrophobicContact CD1-CD1 4.15Å; L59-F92 HydrophobicContact CD1-CG 4.38Å; L59-F92 HydrophobicContact CD2-CD1 4.3Å; L59-F92 HydrophobicContact CG-CD1 4.4Å; I60-F92 WeakPolarHBondContact O-CA 3.42Å; F61-F92 HydrophobicContact CB-CD1 4.31Å; F61-F92 HydrophobicContact CB-CE1 4.31Å; F61-F92 AromaticContact CD2-CD1 3.68Å; F61-F92 HydrophobicContact CD2-CD1 3.68Å; F61-F92 AromaticContact CD2-CE1 3.51Å; F61-F92 HydrophobicContact CD2-CE1 3.51Å; F61-F92 HydrophobicContact CD2-CG 4.34Å; F61-F92 HydrophobicContact CD2-CZ 4.08Å; F61-F92 HydrophobicContact CE2-CE1 4.26Å; F61-F92 HydrophobicContact CE2-CZ 4.4Å; F61-F92 HydrophobicContact CG-CE1 4.34Å; F92-P115 HydrophobicContact CD1-CG 4.33Å; F92-P115 HydrophobicContact CE1-CB 4.43Å; F92-P115 HydrophobicContact CE1-CG 4.08Å; F92-V120 HydrophobicContact CE1-CG1 4.46Å; F92-V120 HydrophobicContact CE1-CG2 3.84Å; F92-V120 HydrophobicContact CE2-CG1 4.47Å; F92-V120 HydrophobicContact CZ-CB 4.29Å; F92-V120 HydrophobicContact CZ-CG1 3.99Å; F92-V120 HydrophobicContact CZ-CG2 4.09Å; F92-L123 HydrophobicContact CE1-CD1 4.08Å; F92-L123 HydrophobicContact CZ-CB 4.31Å; F92-L123 HydrophobicContact CZ-CD1 3.71Å; F92-I124 HydrophobicContact CE2-CD1 4.32Å; F92-I124 HydrophobicContact CE2-CG1 4.36Å; F92-I164 HydrophobicContact CB-CG2 4.22Å; F92-I164 HydrophobicContact CD1-CG2 4.19Å; F92-I164 HydrophobicContact CD2-CD1 4.21Å; F92-I164 HydrophobicContact CD2-CG2 3.58Å; F92-I164 HydrophobicContact CE2-CD1 4.43Å; F92-I164 HydrophobicContact CE2-CG2 3.92Å; F92-I164 HydrophobicContact CG-CG2 3.73Å; F92-I164 HydrophobicContact CZ-CG2 4.39Å; F92-F171 HydrophobicContact CB-CE2 4.46Å; F92-F171 HydrophobicContact CB-CZ 4.22Å; F92-N175 PolarHBondContact O-ND2 3.24Å; F92-N175 PolarHBondContact O-OD1 3.14Å; F92-F181 AromaticContact CD2-CE2 3.64Å; F92-F181 HydrophobicContact CD2-CE2 3.64Å; F92-F181 HydrophobicContact CD2-CZ 4.13Å; F92-F181 HydrophobicContact CE2-CD2 4.47Å; F92-F181 AromaticContact CE2-CE2 3.35Å; F92-F181 HydrophobicContact CE2-CE2 3.35Å; F92-F181 AromaticContact CE2-CZ 3.51Å; F92-F181 HydrophobicContact CE2-CZ 3.51Å; F92-F181 HydrophobicContact CZ-CE2 4.15Å; F92-F181 HydrophobicContact CZ-CZ 4.36Å
93L96.5Very high94.6Very high25 Ų2542 Ų4213%0.13119%0.194CC..EExtended strand (participates in β ladder)trans-138.2150.3172.4-62.5175000109.9I60 V62 L82 V91 T99I60-L93 HydrophobicContact CD1-CB 4.27Å; I60-L93 HydrophobicContact CG1-CB 3.99Å; I60-L93 WeakPolarHBondContact CG1-O 3.46Å; I60-L93 PolarHBondContact N-O 3.24Å; I60-L93 PolarHBondContact O-N 2.85Å; V62-L93 HydrophobicContact CB-CD1 4.43Å; V62-L93 HydrophobicContact CG2-CD1 3.7Å; V62-L93 HydrophobicContact CG2-CG 4.27Å; L82-L93 HydrophobicContact CD2-CD1 3.65Å; V91-L93 HydrophobicContact CG2-CD1 4.39Å; V91-L93 HydrophobicContact CG2-CD2 4.37Å; V91-L93 HydrophobicContact CG2-CG 4.12Å; L93-T99 HydrophobicContact CB-CG2 4.22Å; L93-T99 HydrophobicContact CD1-CG2 3.85Å
94N94Very high94.4Very high34 Ų3439.5 Ų39.518%0.18219%0.186CC..EExtended strand (participates in β ladder)trans-81.1141.1165.3-179.418.4000109.1D96 I167 F171N94-D96 PolarHBondContact O-N 3.1Å; N94-I167 HydrophobicContact CB-CG2 4.06Å; N94-F171 HydrophobicContact CB-CE1 4.19Å
95T90.7Very high94.3Very high15 Ų1540.8 Ų40.89%0.09220%0.196CC..  trans-76.2104174.6-54.60000109.9V55 R58 I60 L100V55-T95 HydrophobicContact CG1-CG2 3.81Å; R58-T95 WeakPolarHBondContact O-CB 3.46Å; R58-T95 PolarHBondContact O-N 2.99Å; R58-T95 PolarHBondContact O-OG1 3.42Å; I60-T95 WeakPolarHBondContact CG2-OG1 3.38Å; T95-L100 HydrophobicContact CG2-CD1 3.96Å; T95-L100 HydrophobicContact CG2-CD2 3.8Å; T95-L100 HydrophobicContact CG2-CG 3.86Å
96D90.3Very high94.3Very high63 Ų6334.1 Ų34.134%0.33717%0.171SC..  trans-125.1167.2168.478-59.8000110.9N94 A98 T99 L100N94-D96 PolarHBondContact O-N 3.1Å; D96-A98 PolarHBondContact O-N 3.39Å; D96-A98 WeakPolarHBondContact OD2-CA 3.48Å; D96-A98 WeakPolarHBondContact OD2-CB 3.42Å; D96-A98 PolarHBondContact OD2-N 3.45Å; D96-T99 PolarHBondContact O-N 3.09Å; D96-T99 WeakPolarHBondContact OD1-CA 3.48Å; D96-T99 WeakPolarHBondContact OD1-CB 3.21Å; D96-T99 PolarHBondContact OD1-N 3.45Å; D96-T99 PolarHBondContact OD1-OG1 3.31Å; D96-T99 PolarHBondContact OD2-N 2.94Å; D96-L100 WeakPolarHBondContact O-CG 3.4Å; D96-L100 PolarHBondContact O-N 3.25Å
97K87.9Confident94.3Very high64 Ų6430.1 Ų30.128%0.27816%0.157SC..Hα-helixtrans-57.4-34.7-179.4-167.8175.4-172175.10112.3E52 R101E52-K97 HydrophobicContact CG-CD 4.46Å; E52-K97 IonicContact OE1-NZ 3.27Å; E52-K97 PolarHBondContact OE1-NZ 3.3Å; K97-R101 VanDerWaalsContact CE-NH2 3.35Å; K97-R101 WeakPolarHBondContact O-CD 3.4Å; K97-R101 VanDerWaalsContact O-CG 3.28Å; K97-R101 WeakPolarHBondContact O-CG 3.28Å; K97-R101 PolarHBondContact O-N 3.03Å
98A91.3Very high94.2Very high51 Ų5132.7 Ų32.742%0.42116%0.164SC..Hα-helixtrans-74.2-44.317800000111.4D96 L100 R101 M102D96-A98 PolarHBondContact O-N 3.39Å; D96-A98 WeakPolarHBondContact OD2-CA 3.48Å; D96-A98 WeakPolarHBondContact OD2-CB 3.42Å; D96-A98 PolarHBondContact OD2-N 3.45Å; A98-L100 PolarHBondContact O-N 2.93Å; A98-R101 WeakPolarHBondContact O-CB 3.13Å; A98-R101 PolarHBondContact O-N 3.45Å; A98-M102 WeakPolarHBondContact O-CG 3.33Å; A98-M102 PolarHBondContact O-N 2.77Å
99T92.9Very high94.2Very high15 Ų1533.2 Ų33.29%0.09217%0.165CC..Hα-helixtrans-58.8-46.9174.5-66.50000111.1I60 L93 D96 R101 M102 L103I60-T99 HydrophobicContact CD1-CG2 4.02Å; L93-T99 HydrophobicContact CB-CG2 4.22Å; L93-T99 HydrophobicContact CD1-CG2 3.85Å; D96-T99 PolarHBondContact O-N 3.09Å; D96-T99 WeakPolarHBondContact OD1-CA 3.48Å; D96-T99 WeakPolarHBondContact OD1-CB 3.21Å; D96-T99 PolarHBondContact OD1-N 3.45Å; D96-T99 PolarHBondContact OD1-OG1 3.31Å; D96-T99 PolarHBondContact OD2-N 2.94Å; T99-R101 VanDerWaalsContact C-N 3.31Å; T99-R101 PolarHBondContact O-N 3.33Å; T99-M102 WeakPolarHBondContact O-CB 3.46Å; T99-M102 PolarHBondContact O-N 2.93Å; T99-L103 HydrophobicContact CG2-CD1 3.93Å; T99-L103 HydrophobicContact CG2-CG 4.07Å; T99-L103 VanDerWaalsContact O-CG 3.28Å; T99-L103 WeakPolarHBondContact O-CG 3.25Å; T99-L103 PolarHBondContact O-N 2.98Å
100L92.5Very high94.1Very high35 Ų3533.1 Ų33.118%0.18316%0.164CC..Hα-helixtrans-57.8-41.8177.6-70.8176.6000112.6L50 V55 T95 D96 A98 L103 A104L50-L100 HydrophobicContact CD1-CD1 4.08Å; V55-L100 HydrophobicContact CG1-CD1 4Å; V55-L100 HydrophobicContact CG2-CD1 4.38Å; T95-L100 HydrophobicContact CG2-CD1 3.96Å; T95-L100 HydrophobicContact CG2-CD2 3.8Å; T95-L100 HydrophobicContact CG2-CG 3.86Å; D96-L100 WeakPolarHBondContact O-CG 3.4Å; D96-L100 PolarHBondContact O-N 3.25Å; A98-L100 PolarHBondContact O-N 2.93Å; L100-L103 PolarHBondContact O-N 3.11Å; L100-A104 WeakPolarHBondContact O-CB 3.35Å; L100-A104 PolarHBondContact O-N 3.19Å
101R92.7Very high94.1Very high128 Ų12833.1 Ų33.148%0.48316%0.164SC..Hα-helixtrans-63.2-42.3174.2-76169.5175.3174.6-4.3112.3V48 K97 A98 T99 A105V48-R101 HydrophobicContact CG2-CG 3.87Å; K97-R101 VanDerWaalsContact CE-NH2 3.35Å; K97-R101 WeakPolarHBondContact O-CD 3.4Å; K97-R101 VanDerWaalsContact O-CG 3.28Å; K97-R101 WeakPolarHBondContact O-CG 3.28Å; K97-R101 PolarHBondContact O-N 3.03Å; A98-R101 WeakPolarHBondContact O-CB 3.13Å; A98-R101 PolarHBondContact O-N 3.45Å; T99-R101 VanDerWaalsContact C-N 3.31Å; T99-R101 PolarHBondContact O-N 3.33Å; R101-A105 WeakPolarHBondContact O-CB 3.21Å; R101-A105 PolarHBondContact O-N 2.8Å
102M95.4Very high94.1Very high43 Ų4333.8 Ų33.821%0.21217%0.167CC..Hα-helixtrans-64-43.8176.7-73.3179.770.800111.5I78 L81 L82 A98 T99 A105 A106I78-M102 HydrophobicContact CG2-CB 3.91Å; I78-M102 HydrophobicContact CG2-CE 3.92Å; I78-M102 HydrophobicContact CG2-CG 4.31Å; L81-M102 HydrophobicContact CB-CE 3.49Å; L81-M102 VanDerWaalsContact CB-CE 3.49Å; L81-M102 HydrophobicContact CD1-CE 4.04Å; L81-M102 HydrophobicContact CG-CE 4.43Å; L82-M102 HydrophobicContact CD1-CE 4.48Å; L82-M102 HydrophobicContact CD2-CB 4.4Å; L82-M102 HydrophobicContact CD2-CE 3.53Å; L82-M102 HydrophobicContact CD2-SD 4.19Å; L82-M102 HydrophobicContact CG-CE 3.66Å; A98-M102 WeakPolarHBondContact O-CG 3.33Å; A98-M102 PolarHBondContact O-N 2.77Å; T99-M102 WeakPolarHBondContact O-CB 3.46Å; T99-M102 PolarHBondContact O-N 2.93Å; M102-A105 PolarHBondContact O-N 2.95Å; M102-A106 PolarHBondContact O-N 3.41Å
103L95.5Very high94.1Very high1 Ų133.8 Ų33.81%0.00517%0.167CC..Hα-helixtrans-61.1-48.9176.7-67.1176.5000111.3I60 V62 L82 T99 L100 A105 A106 Q107 I110 W112I60-L103 HydrophobicContact CD1-CD1 3.54Å; V62-L103 HydrophobicContact CB-CD2 4.49Å; V62-L103 HydrophobicContact CG1-CD2 3.73Å; V62-L103 HydrophobicContact CG2-CD2 3.89Å; L82-L103 HydrophobicContact CD1-CD2 4.47Å; T99-L103 HydrophobicContact CG2-CD1 3.93Å; T99-L103 HydrophobicContact CG2-CG 4.07Å; T99-L103 VanDerWaalsContact O-CG 3.28Å; T99-L103 WeakPolarHBondContact O-CG 3.25Å; T99-L103 PolarHBondContact O-N 2.98Å; L100-L103 PolarHBondContact O-N 3.11Å; L103-A105 VanDerWaalsContact C-N 3.3Å; L103-A105 PolarHBondContact O-N 2.83Å; L103-A106 CarbonylContact O-C 3.5Å; L103-A106 PolarHBondContact O-N 3.15Å; L103-Q107 WeakPolarHBondContact O-CA 3.19Å; L103-Q107 WeakPolarHBondContact O-CB 3.36Å; L103-Q107 PolarHBondContact O-N 2.87Å; L103-I110 HydrophobicContact CB-CD1 4.41Å; L103-I110 HydrophobicContact CD2-CD1 3.45Å; L103-I110 VanDerWaalsContact CD2-CD1 3.45Å; L103-W112 HydrophobicContact CB-CD2 4.35Å; L103-W112 HydrophobicContact CB-CE3 4.22Å; L103-W112 HydrophobicContact CB-CH2 3.96Å; L103-W112 HydrophobicContact CB-CZ2 4.13Å; L103-W112 HydrophobicContact CB-CZ3 4.02Å; L103-W112 HydrophobicContact CD1-CD2 3.98Å; L103-W112 HydrophobicContact CD1-CG 4.04Å; L103-W112 HydrophobicContact CD2-CD2 4.22Å; L103-W112 HydrophobicContact CD2-CE3 4.04Å; L103-W112 HydrophobicContact CG-CD2 4.41Å; L103-W112 HydrophobicContact CG-CE3 4.49Å
104A93.6Very high94.1Very high5 Ų534.3 Ų34.34%0.04117%0.169CC..Hα-helixtrans-58.8-40.7177.800000112.2L44 L47 L100 Q107L44-A104 HydrophobicContact CD2-CB 3.61Å; L44-A104 WeakPolarHBondContact CD2-O 3.33Å; L47-A104 HydrophobicContact CD1-CB 3.63Å; L100-A104 WeakPolarHBondContact O-CB 3.35Å; L100-A104 PolarHBondContact O-N 3.19Å; A104-Q107 WeakPolarHBondContact O-CB 3.29Å
105A93.8Very high94.2Very high27 Ų2733.1 Ų33.122%0.22316%0.163CC..Hα-helixtrans-70.7-35178.800000113.5I78 R101 M102 L103I78-A105 HydrophobicContact CD1-CB 3.52Å; R101-A105 WeakPolarHBondContact O-CB 3.21Å; R101-A105 PolarHBondContact O-N 2.8Å; M102-A105 PolarHBondContact O-N 2.95Å; L103-A105 VanDerWaalsContact C-N 3.3Å; L103-A105 PolarHBondContact O-N 2.83Å
106A95Very high94.5Very high1 Ų135 Ų351%0.00817%0.172CC..Hα-helixtrans-97.22.9179.300000114.3V75 I78 L79 M102 L103 R108 F109 I110V75-A106 HydrophobicContact CG1-CB 4.2Å; I78-A106 HydrophobicContact CB-CB 4.48Å; I78-A106 HydrophobicContact CG2-CB 3.77Å; L79-A106 HydrophobicContact CD2-CB 4.19Å; M102-A106 PolarHBondContact O-N 3.41Å; L103-A106 CarbonylContact O-C 3.5Å; L103-A106 PolarHBondContact O-N 3.15Å; A106-R108 PolarHBondContact O-N 2.98Å; A106-F109 PolarHBondContact O-N 3.33Å; A106-I110 HydrophobicContact CB-CD1 3.99Å
107Q94.2Very high94.8Very high35 Ų3535.2 Ų35.216%0.16417%0.173CC..G310 helixtrans-48.3-35-166.4-178.9179.524.900115.1L103 A104 F109 I110 W112 F203L103-Q107 WeakPolarHBondContact O-CA 3.19Å; L103-Q107 WeakPolarHBondContact O-CB 3.36Å; L103-Q107 PolarHBondContact O-N 2.87Å; A104-Q107 WeakPolarHBondContact O-CB 3.29Å; Q107-F109 PolarHBondContact O-N 3.35Å; Q107-F109 VanDerWaalsContact O-N 3.17Å; Q107-I110 PolarHBondContact O-N 3.31Å; Q107-W112 HydrophobicContact CB-CH2 4.05Å; Q107-W112 HydrophobicContact CB-CZ3 4.14Å; Q107-W112 HydrophobicContact CG-CH2 3.67Å; Q107-W112 HydrophobicContact CG-CZ3 3.9Å; Q107-F203 HydrophobicContact CG-CD2 3.72Å; Q107-F203 HydrophobicContact CG-CE2 3.9Å; Q107-F203 WeakPolarHBondContact O-CB 3.41Å; Q107-F203 VanDerWaalsContact O-CD2 3.22Å; Q107-F203 WeakPolarHBondContact O-CD2 3.37Å
108R93.7Very high95.3Very high126 Ų12639.6 Ų39.648%0.47519%0.188SC..G310 helixtrans-68.3-13-179.1-62.4-176.673.8-176.24.2114.3K66 A106 F203K66-R108 WeakPolarHBondContact CD-O 3.38Å; K66-R108 WeakPolarHBondContact CE-O 3.35Å; K66-R108 PolarHBondContact NZ-O 3Å; A106-R108 PolarHBondContact O-N 2.98Å; R108-F203 HydrophobicContact CG-CE2 4.45Å; R108-F203 HydrophobicContact CG-CZ 4.29Å
109F96Very high95.6Very high25 Ų2537.3 Ų37.311%0.1117%0.168CC..G310 helixtrans-112.6-10.7-175.6-69-95.1000113.5I65 K66 M71 V75 L79 A106 Q107I65-F109 WeakPolarHBondContact CG1-O 3.45Å; I65-F109 PolarHBondContact N-O 3.3Å; K66-F109 HydrophobicContact CB-CB 4.46Å; K66-F109 HydrophobicContact CB-CD1 3.61Å; K66-F109 HydrophobicContact CB-CE1 4.3Å; K66-F109 HydrophobicContact CB-CG 4.39Å; K66-F109 HydrophobicContact CD-CD1 4.04Å; K66-F109 HydrophobicContact CD-CE1 4.3Å; K66-F109 HydrophobicContact CG-CD1 4.48Å; K66-F109 PolarHBondContact N-O 3.2Å; M71-F109 HydrophobicContact CB-CE1 4.32Å; M71-F109 HydrophobicContact CB-CZ 4.21Å; M71-F109 HydrophobicContact CE-CD1 3.59Å; M71-F109 HydrophobicContact CE-CE1 3.65Å; M71-F109 HydrophobicContact CE-CG 4.24Å; M71-F109 HydrophobicContact CE-CZ 4.34Å; M71-F109 HydrophobicContact CG-CE1 4.37Å; M71-F109 HydrophobicContact CG-CZ 4.18Å; V75-F109 HydrophobicContact CG1-CD2 3.63Å; V75-F109 HydrophobicContact CG1-CE2 3.85Å; V75-F109 HydrophobicContact CG1-CG 4.31Å; L79-F109 HydrophobicContact CD1-CB 4.13Å; L79-F109 HydrophobicContact CD1-CG 4.43Å; A106-F109 PolarHBondContact O-N 3.33Å; Q107-F109 PolarHBondContact O-N 3.35Å; Q107-F109 VanDerWaalsContact O-N 3.17Å
110I96.9Very high95.8Very high0 Ų036.6 Ų36.60%016%0.164CC..EExtended strand (participates in β ladder)trans-131.6155.2-172.459.6179.3000110V62 L63 R64 L79 L84 L103 A106 Q107 W112 G204V62-I110 HydrophobicContact CG1-CB 4.18Å; V62-I110 HydrophobicContact CG1-CD1 4.08Å; V62-I110 HydrophobicContact CG1-CG2 4.49Å; L63-I110 CarbonylContact O-C 3.51Å; L63-I110 WeakPolarHBondContact O-CA 3.28Å; R64-I110 HydrophobicContact CB-CG2 4.36Å; L79-I110 HydrophobicContact CD2-CG2 3.42Å; L79-I110 VanDerWaalsContact CD2-CG2 3.42Å; L84-I110 HydrophobicContact CD1-CG2 3.81Å; L103-I110 HydrophobicContact CB-CD1 4.41Å; L103-I110 HydrophobicContact CD2-CD1 3.45Å; L103-I110 VanDerWaalsContact CD2-CD1 3.45Å; A106-I110 HydrophobicContact CB-CD1 3.99Å; Q107-I110 PolarHBondContact O-N 3.31Å; I110-W112 HydrophobicContact CD1-CE3 4.04Å; I110-W112 HydrophobicContact CD1-CZ3 4.04Å; I110-W112 HydrophobicContact CG1-CE3 3.93Å; I110-W112 HydrophobicContact CG1-CZ3 3.87Å; I110-G204 PolarHBondContact O-N 3.3Å
111T97.7Very high96.1Very high0 Ų039.6 Ų39.60%017%0.173CC..EExtended strand (participates in β ladder)trans-123.9150164.7-1710000108.1L63 I65 D202 G204 R206 I210 L213L63-T111 HydrophobicContact CB-CG2 3.87Å; L63-T111 HydrophobicContact CD2-CG2 4.05Å; L63-T111 HydrophobicContact CG-CG2 4.24Å; L63-T111 PolarHBondContact N-O 2.77Å; L63-T111 PolarHBondContact O-N 2.86Å; I65-T111 HydrophobicContact CG2-CG2 3.59Å; T111-D202 VanDerWaalsContact CB-O 3.28Å; T111-D202 WeakPolarHBondContact CB-O 3.28Å; T111-D202 PolarHBondContact OG1-O 3.09Å; T111-G204 VanDerWaalsContact CA-O 3.23Å; T111-G204 WeakPolarHBondContact CA-O 3.4Å; T111-G204 PolarHBondContact OG1-O 2.9Å; T111-R206 WeakPolarHBondContact OG1-CD 3.31Å; T111-R206 VanDerWaalsContact OG1-CG 3.25Å; T111-R206 WeakPolarHBondContact OG1-CG 3.35Å; T111-I210 HydrophobicContact CG2-CD1 4.14Å; T111-L213 HydrophobicContact CG2-CD2 3.94Å
112W97.9Very high96.3Very high16 Ų1635.4 Ų35.46%0.06116%0.159CC..EExtended strand (participates in β ladder)trans-145.1165.7176.564.389.5000110.3F61 V62 L103 Q107 I110 G204 D205 R206F61-W112 WeakPolarHBondContact O-CA 3.48Å; F61-W112 WeakPolarHBondContact O-CB 3.45Å; V62-W112 HydrophobicContact CB-CB 4.34Å; V62-W112 HydrophobicContact CG1-CB 4.31Å; V62-W112 HydrophobicContact CG2-CB 3.92Å; L103-W112 HydrophobicContact CB-CD2 4.35Å; L103-W112 HydrophobicContact CB-CE3 4.22Å; L103-W112 HydrophobicContact CB-CH2 3.96Å; L103-W112 HydrophobicContact CB-CZ2 4.13Å; L103-W112 HydrophobicContact CB-CZ3 4.02Å; L103-W112 HydrophobicContact CD1-CD2 3.98Å; L103-W112 HydrophobicContact CD1-CG 4.04Å; L103-W112 HydrophobicContact CD2-CD2 4.22Å; L103-W112 HydrophobicContact CD2-CE3 4.04Å; L103-W112 HydrophobicContact CG-CD2 4.41Å; L103-W112 HydrophobicContact CG-CE3 4.49Å; Q107-W112 HydrophobicContact CB-CH2 4.05Å; Q107-W112 HydrophobicContact CB-CZ3 4.14Å; Q107-W112 HydrophobicContact CG-CH2 3.67Å; Q107-W112 HydrophobicContact CG-CZ3 3.9Å; I110-W112 HydrophobicContact CD1-CE3 4.04Å; I110-W112 HydrophobicContact CD1-CZ3 4.04Å; I110-W112 HydrophobicContact CG1-CE3 3.93Å; I110-W112 HydrophobicContact CG1-CZ3 3.87Å; W112-G204 PolarHBondContact N-O 2.63Å; W112-G204 VanDerWaalsContact N-O 3.09Å; W112-D205 HydrophobicContact CZ2-CB 3.94Å; W112-D205 CarbonylContact O-C 3.52Å; W112-D205 WeakPolarHBondContact O-CA 3.45Å; W112-R206 PolarHBondContact O-N 2.76Å
113G97Very high96.4Very high0 Ų033.3 Ų33.30%015%0.149CC..EExtended strand (participates in β ladder)trans-178.4-172.2174.200000110.6I60 F61 P115 K207I60-G113 CarbonylContact C-O 3.49Å; I60-G113 VanDerWaalsContact CA-O 3.24Å; I60-G113 WeakPolarHBondContact CA-O 3.22Å; F61-G113 PolarHBondContact N-O 2.82Å; F61-G113 PolarHBondContact O-N 2.68Å; G113-P115 WeakPolarHBondContact O-CD 3.15Å; G113-K207 CarbonylContact C-O 3.54Å; G113-K207 WeakPolarHBondContact CA-O 3.34Å
114H96.6Very high96.4Very high37 Ų3733.4 Ų33.417%0.17115%0.149CC..  trans-93.8111.6-177.4-60.7-59.1000110L59 K207 E208 I210 N211L59-H114 PolarHBondContact O-ND1 3.41Å; L59-H114 VanDerWaalsContact O-ND1 3.15Å; H114-K207 PolarHBondContact N-O 3.07Å; H114-E208 WeakPolarHBondContact CB-OE1 3.37Å; H114-E208 IonicContact CD2-OE1 2.59Å; H114-E208 IonicContact CG-OE1 2.59Å; H114-I210 VanDerWaalsContact O-CG2 3.25Å; H114-I210 WeakPolarHBondContact O-CG2 3.48Å; H114-N211 PolarHBondContact O-ND2 3.47Å
115P97.8Very high96.6Very high9 Ų938.4 Ų38.46%0.05817%0.168CC..  trans-77137.8175.634.1-34.7000109.6L59 F61 F92 G113 V120 N211L59-P115 HydrophobicContact CD2-CG 3.83Å; L59-P115 HydrophobicContact CG-CG 3.98Å; F61-P115 HydrophobicContact CB-CB 4.19Å; F61-P115 HydrophobicContact CB-CG 4.03Å; F92-P115 HydrophobicContact CD1-CG 4.33Å; F92-P115 HydrophobicContact CE1-CB 4.43Å; F92-P115 HydrophobicContact CE1-CG 4.08Å; G113-P115 WeakPolarHBondContact O-CD 3.15Å; P115-V120 HydrophobicContact CB-CG2 3.81Å; P115-V120 HydrophobicContact CG-CG2 3.89Å; P115-N211 VanDerWaalsContact CA-OD1 3.29Å; P115-N211 WeakPolarHBondContact CA-OD1 3.44Å
116N96.8Very high96.7Very high54 Ų5442.7 Ų42.729%0.28918%0.181SC..  trans-81.8165.4169.36637.8000110.9R118 S119 V120 N211N116-R118 PolarHBondContact O-N 2.79Å; N116-R118 WeakPolarHBondContact OD1-CB 3.35Å; N116-R118 PolarHBondContact OD1-N 3.22Å; N116-S119 PolarHBondContact O-N 3.4Å; N116-S119 VanDerWaalsContact O-N 3.07Å; N116-S119 PolarHBondContact OD1-N 2.79Å; N116-S119 PolarHBondContact OD1-OG 3.23Å; N116-V120 WeakPolarHBondContact O-CG2 3.48Å; N116-V120 PolarHBondContact O-N 2.82Å; N116-N211 PolarHBondContact N-OD1 3.33Å
117L96.5Very high96.8Very high67 Ų6746.8 Ų46.835%0.35120%0.196SC..Hα-helixtrans-55.4-38.2-178.417962.1000112.3V120 R121 I161 F165L117-V120 PolarHBondContact O-N 3.36Å; L117-R121 VanDerWaalsContact O-CB 3.27Å; L117-R121 WeakPolarHBondContact O-CB 3.3Å; L117-R121 PolarHBondContact O-N 2.91Å; L117-I161 HydrophobicContact CD1-CG2 3.9Å; L117-F165 HydrophobicContact CB-CD1 4.45Å; L117-F165 HydrophobicContact CB-CD2 4.25Å; L117-F165 HydrophobicContact CB-CE1 4.14Å; L117-F165 HydrophobicContact CB-CE2 3.94Å; L117-F165 HydrophobicContact CB-CZ 3.88Å; L117-F165 HydrophobicContact CD1-CB 4.16Å; L117-F165 HydrophobicContact CD1-CD1 3.95Å; L117-F165 HydrophobicContact CD1-CD2 4.24Å; L117-F165 HydrophobicContact CD1-CE1 4.43Å; L117-F165 HydrophobicContact CD1-CG 3.84Å
118R97.5Very high96.9Very high157 Ų15745.3 Ų45.359%0.59219%0.19SC*.Hα-helixtrans-61.2-47.7177177.7-179.4175.7170.74.3111.7N116 R121 E122N116-R118 PolarHBondContact O-N 2.79Å; N116-R118 WeakPolarHBondContact OD1-CB 3.35Å; N116-R118 PolarHBondContact OD1-N 3.22Å; R118-R121 PolarHBondContact O-N 2.91Å; R118-E122 HydrophobicContact CG-CG 4.48Å; R118-E122 IonicContact CZ-OE1 2.8Å; R118-E122 IonicContact NE-OE1 3.12Å; R118-E122 PolarHBondContact NE-OE1 3.34Å; R118-E122 IonicContact NH2-OE1 3.58Å; R118-E122 WeakPolarHBondContact O-CB 3.34Å; R118-E122 WeakPolarHBondContact O-CG 3.2Å; R118-E122 PolarHBondContact O-N 2.9Å
119S97.9Very high97Very high2 Ų239.4 Ų39.41%0.01417%0.168CC..Hα-helixtrans-68.3-36.4179.2-69.90000112.3N116 L123 N211N116-S119 PolarHBondContact O-N 3.4Å; N116-S119 VanDerWaalsContact O-N 3.07Å; N116-S119 PolarHBondContact OD1-N 2.79Å; N116-S119 PolarHBondContact OD1-OG 3.23Å; S119-L123 VanDerWaalsContact O-CB 3.31Å; S119-L123 WeakPolarHBondContact O-CB 3.42Å; S119-L123 WeakPolarHBondContact O-CD1 3.41Å; S119-L123 VanDerWaalsContact O-CG 3.28Å; S119-L123 WeakPolarHBondContact O-CG 3.29Å; S119-L123 PolarHBondContact O-N 2.8Å; S119-N211 WeakPolarHBondContact CB-OD1 3.44Å; S119-N211 PolarHBondContact OG-OD1 2.86Å
120V97.7Very high97Very high0 Ų038.2 Ų38.20%016%0.163CC..Hα-helixtrans-61.5-48.4172.5175.70000110.6L59 F92 P115 N116 L117 L123 I124 I161 I164 F165L59-V120 HydrophobicContact CD2-CG2 4.03Å; F92-V120 HydrophobicContact CE1-CG1 4.46Å; F92-V120 HydrophobicContact CE1-CG2 3.84Å; F92-V120 HydrophobicContact CE2-CG1 4.47Å; F92-V120 HydrophobicContact CZ-CB 4.29Å; F92-V120 HydrophobicContact CZ-CG1 3.99Å; F92-V120 HydrophobicContact CZ-CG2 4.09Å; P115-V120 HydrophobicContact CB-CG2 3.81Å; P115-V120 HydrophobicContact CG-CG2 3.89Å; N116-V120 WeakPolarHBondContact O-CG2 3.48Å; N116-V120 PolarHBondContact O-N 2.82Å; L117-V120 PolarHBondContact O-N 3.36Å; V120-L123 PolarHBondContact O-N 2.9Å; V120-I124 HydrophobicContact CG1-CD1 3.69Å; V120-I124 WeakPolarHBondContact O-CG1 3.33Å; V120-I124 PolarHBondContact O-N 2.92Å; V120-I161 HydrophobicContact CG1-CG2 4.23Å; V120-I164 HydrophobicContact CG1-CG2 4.06Å; V120-F165 HydrophobicContact CG2-CD2 4.07Å
121R97.3Very high96.9Very high98 Ų9842.3 Ų42.337%0.3719%0.188SC..Hα-helixtrans-57.9-52.5176.6179.6174.1-73.4139.8-0.2111.7L117 R118 L123 I124 Y125 E158 I161L117-R121 VanDerWaalsContact O-CB 3.27Å; L117-R121 WeakPolarHBondContact O-CB 3.3Å; L117-R121 PolarHBondContact O-N 2.91Å; R118-R121 PolarHBondContact O-N 2.91Å; R121-L123 VanDerWaalsContact C-N 3.33Å; R121-L123 PolarHBondContact O-N 2.85Å; R121-I124 PolarHBondContact O-N 2.62Å; R121-Y125 HydrophobicContact CG-CD2 3.42Å; R121-Y125 VanDerWaalsContact CG-CD2 3.42Å; R121-Y125 HydrophobicContact CG-CE2 3.53Å; R121-Y125 WeakPolarHBondContact O-CD2 3.48Å; R121-Y125 PolarHBondContact O-N 3.12Å; R121-E158 IonicContact CZ-OE2 3.72Å; R121-E158 IonicContact NE-OE1 3.59Å; R121-E158 IonicContact NE-OE2 3.35Å; R121-E158 IonicContact NH2-OE2 2.67Å; R121-E158 PolarHBondContact NH2-OE2 3.43Å; R121-I161 HydrophobicContact CB-CD1 4.35Å; R121-I161 HydrophobicContact CG-CD1 4.11Å
122E97.2Very high96.6Very high40 Ų4044.2 Ų44.219%0.18720%0.199CC..Hα-helixtrans-60-41.6-179.9-74.7174.4-177.700112R118 K126 V218R118-E122 HydrophobicContact CG-CG 4.48Å; R118-E122 IonicContact CZ-OE1 2.8Å; R118-E122 IonicContact NE-OE1 3.12Å; R118-E122 PolarHBondContact NE-OE1 3.34Å; R118-E122 IonicContact NH2-OE1 3.58Å; R118-E122 WeakPolarHBondContact O-CB 3.34Å; R118-E122 WeakPolarHBondContact O-CG 3.2Å; R118-E122 PolarHBondContact O-N 2.9Å; E122-K126 VanDerWaalsContact O-CB 3.29Å; E122-K126 WeakPolarHBondContact O-CB 3.46Å; E122-K126 PolarHBondContact O-N 3.41Å; E122-V218 HydrophobicContact CB-CG1 4.16Å
123L97.6Very high96.2Very high0 Ų051 Ų510%024%0.236CC..Hα-helixtrans-60.2-46.4175.3-83.6166.9000111.9F61 F92 S119 V120 R121 R127 A128 F181 L183 L214 V218F61-L123 HydrophobicContact CD2-CD1 3.83Å; F61-L123 HydrophobicContact CE2-CD1 3.6Å; F61-L123 HydrophobicContact CE2-CD2 4.29Å; F61-L123 HydrophobicContact CG-CD1 4.37Å; F61-L123 HydrophobicContact CZ-CD1 3.99Å; F61-L123 HydrophobicContact CZ-CD2 4.08Å; F92-L123 HydrophobicContact CE1-CD1 4.08Å; F92-L123 HydrophobicContact CZ-CB 4.31Å; F92-L123 HydrophobicContact CZ-CD1 3.71Å; S119-L123 VanDerWaalsContact O-CB 3.31Å; S119-L123 WeakPolarHBondContact O-CB 3.42Å; S119-L123 WeakPolarHBondContact O-CD1 3.41Å; S119-L123 VanDerWaalsContact O-CG 3.28Å; S119-L123 WeakPolarHBondContact O-CG 3.29Å; S119-L123 PolarHBondContact O-N 2.8Å; V120-L123 PolarHBondContact O-N 2.9Å; R121-L123 VanDerWaalsContact C-N 3.33Å; R121-L123 PolarHBondContact O-N 2.85Å; L123-R127 CarbonylContact O-C 3.48Å; L123-R127 WeakPolarHBondContact O-CA 3.2Å; L123-R127 VanDerWaalsContact O-CB 3.27Å; L123-R127 WeakPolarHBondContact O-CB 3.48Å; L123-R127 PolarHBondContact O-N 3.08Å; L123-A128 PolarHBondContact O-N 3.23Å; L123-F181 HydrophobicContact CB-CE1 4.24Å; L123-F181 HydrophobicContact CB-CZ 4.49Å; L123-F181 HydrophobicContact CD2-CD1 4.38Å; L123-F181 HydrophobicContact CD2-CG 4.32Å; L123-F181 WeakPolarHBondContact O-CE1 3.11Å; L123-L183 HydrophobicContact CD2-CD1 4.41Å; L123-L183 HydrophobicContact CD2-CD2 3.64Å; L123-L214 HydrophobicContact CD1-CD1 3.98Å; L123-L214 HydrophobicContact CD1-CD2 4.34Å; L123-L214 HydrophobicContact CD2-CD2 4.47Å; L123-V218 HydrophobicContact CD2-CG2 3.48Å; L123-V218 VanDerWaalsContact CD2-CG2 3.48Å; L123-V218 HydrophobicContact CG-CG2 3.87Å
124I96.6Very high96Very high2 Ų254.4 Ų54.41%0.0127%0.272CS..Hα-helixtrans-69.4-53.4-176.6-71.4161.1000110F92 V120 R121 K126 A128 I157 L160 I161 I164 F181F92-I124 HydrophobicContact CE2-CD1 4.32Å; F92-I124 HydrophobicContact CE2-CG1 4.36Å; V120-I124 HydrophobicContact CG1-CD1 3.69Å; V120-I124 WeakPolarHBondContact O-CG1 3.33Å; V120-I124 PolarHBondContact O-N 2.92Å; R121-I124 PolarHBondContact O-N 2.62Å; I124-K126 PolarHBondContact O-N 2.98Å; I124-A128 HydrophobicContact CB-CB 4.5Å; I124-A128 HydrophobicContact CG2-CB 4.16Å; I124-A128 WeakPolarHBondContact O-CB 3.35Å; I124-A128 PolarHBondContact O-N 2.85Å; I124-I157 HydrophobicContact CG2-CG2 3.84Å; I124-L160 HydrophobicContact CD1-CD2 3.82Å; I124-L160 HydrophobicContact CG1-CD2 4.18Å; I124-L160 HydrophobicContact CG2-CD2 3.72Å; I124-I161 HydrophobicContact CB-CD1 4.5Å; I124-I161 HydrophobicContact CB-CG1 4.06Å; I124-I161 HydrophobicContact CD1-CB 4.28Å; I124-I161 HydrophobicContact CD1-CG1 3.54Å; I124-I161 HydrophobicContact CG1-CG1 4.4Å; I124-I161 HydrophobicContact CG2-CD1 4.33Å; I124-I161 HydrophobicContact CG2-CG1 3.94Å; I124-I164 HydrophobicContact CD1-CD1 3.74Å; I124-F181 HydrophobicContact CG1-CE1 4.44Å; I124-F181 HydrophobicContact CG1-CZ 4.14Å
125Y96.7Very high95.9Very high111 Ų11160 Ų6044%0.43530%0.296SS..Hα-helixtrans-60.5-40.4-178.9-83.2-69.1000114R121 I157 E158 I161R121-Y125 HydrophobicContact CG-CD2 3.42Å; R121-Y125 VanDerWaalsContact CG-CD2 3.42Å; R121-Y125 HydrophobicContact CG-CE2 3.53Å; R121-Y125 WeakPolarHBondContact O-CD2 3.48Å; R121-Y125 PolarHBondContact O-N 3.12Å; Y125-I157 HydrophobicContact CD1-CD1 4.48Å; Y125-I157 HydrophobicContact CD1-CG2 4.21Å; Y125-I157 HydrophobicContact CE1-CB 4.36Å; Y125-I157 HydrophobicContact CE1-CD1 4.13Å; Y125-I157 HydrophobicContact CE1-CG2 3.74Å; Y125-I157 HydrophobicContact CE2-CG2 4.25Å; Y125-E158 VanDerWaalsContact CE2-OE1 3.24Å; Y125-E158 WeakPolarHBondContact CE2-OE1 3.22Å; Y125-E158 VanDerWaalsContact CZ-OE1 3.28Å; Y125-E158 PolarHBondContact OH-OE1 2.91Å; Y125-I161 HydrophobicContact CD2-CD1 4.05Å; Y125-I161 HydrophobicContact CE2-CD1 3.56Å
126K96.5Very high95.7Very high116 Ų11665.3 Ų65.350%0.50432%0.315SS..Hα-helixtrans-93.4-24.1-173.1-65.7176.4171.2-179.10114.1E122 I124 V218E122-K126 VanDerWaalsContact O-CB 3.29Å; E122-K126 WeakPolarHBondContact O-CB 3.46Å; E122-K126 PolarHBondContact O-N 3.41Å; I124-K126 PolarHBondContact O-N 2.98Å; K126-V218 HydrophobicContact CB-CG1 4.14Å; K126-V218 HydrophobicContact CD-CG1 3.82Å
127R96.5Very high95.6Very high88 Ų8866.6 Ų66.633%0.33232%0.321SS..Hα-helixtrans-132.8-11-166.3-54.9-67.9179.2-150.97.9114.1L123 A129 F181 L183 V218L123-R127 CarbonylContact O-C 3.48Å; L123-R127 WeakPolarHBondContact O-CA 3.2Å; L123-R127 VanDerWaalsContact O-CB 3.27Å; L123-R127 WeakPolarHBondContact O-CB 3.48Å; L123-R127 PolarHBondContact O-N 3.08Å; R127-A129 PolarHBondContact O-N 3.49Å; R127-F181 HydrophobicContact CB-CD1 3.84Å; R127-L183 HydrophobicContact CG-CD2 4.06Å; R127-V218 HydrophobicContact CG-CG1 4.25Å; R127-V218 PolarHBondContact NE-OXT 2.94Å; R127-V218 PolarHBondContact NH2-OXT 3.18Å
128A96.5Very high95.5Very high3 Ų370.5 Ų70.53%0.02534%0.338CS..  trans-62.8133.9176.400000110.4L123 I124 L139 V178 F181L123-A128 PolarHBondContact O-N 3.23Å; I124-A128 HydrophobicContact CB-CB 4.5Å; I124-A128 HydrophobicContact CG2-CB 4.16Å; I124-A128 WeakPolarHBondContact O-CB 3.35Å; I124-A128 PolarHBondContact O-N 2.85Å; A128-L139 HydrophobicContact CB-CB 3.9Å; A128-L139 HydrophobicContact CB-CD2 4.09Å; A128-L139 PolarHBondContact O-N 3.09Å; A128-V178 HydrophobicContact CB-CG1 3.98Å; A128-F181 HydrophobicContact CB-CE1 4.13Å
129A96.3Very high95.2Very high2 Ų263.3 Ų63.32%0.01731%0.311CS..EExtended strand (participates in β ladder)trans-138.3147.4174.200000108.6R127 R136 L137 L179R127-A129 PolarHBondContact O-N 3.49Å; A129-R136 HydrophobicContact CB-CG 4.04Å; A129-L137 CarbonylContact C-O 3.46Å; A129-L137 WeakPolarHBondContact CA-O 3.16Å; A129-L137 WeakPolarHBondContact CB-O 3.47Å; A129-L179 HydrophobicContact CB-CD1 4.29Å; A129-L179 VanDerWaalsContact O-CB 3.24Å; A129-L179 WeakPolarHBondContact O-CB 3.36Å; A129-L179 WeakPolarHBondContact O-CG 3.49Å; A129-L179 PolarHBondContact O-N 2.89Å
130V96Very high94.8Very high1 Ų168 Ų681%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-127.3167.3-178.4-64.10000109V132 R136 L137 L139 F177V130-V132 HydrophobicContact CG2-CG2 3.97Å; V130-R136 WeakPolarHBondContact O-CA 3.45Å; V130-L137 PolarHBondContact N-O 3.24Å; V130-L137 PolarHBondContact O-N 3.19Å; V130-L139 HydrophobicContact CG1-CD1 4.02Å; V130-L139 HydrophobicContact CG2-CD1 4.19Å; V130-F177 HydrophobicContact CB-CE2 4.28Å; V130-F177 HydrophobicContact CB-CZ 4.14Å; V130-F177 HydrophobicContact CG1-CD1 3.95Å; V130-F177 HydrophobicContact CG1-CD2 4.45Å; V130-F177 HydrophobicContact CG1-CE1 3.51Å; V130-F177 HydrophobicContact CG1-CE2 4.04Å; V130-F177 HydrophobicContact CG1-CG 4.42Å; V130-F177 HydrophobicContact CG1-CZ 3.57Å
131V94.4Very high94.5Very high85 Ų8572 Ų7252%0.51537%0.365SS..EExtended strand (participates in β ladder)trans-107.1114.6173.8-177.90000108K135 L179V131-K135 WeakPolarHBondContact CA-O 3.45Å; V131-L179 HydrophobicContact CG2-CD1 3.8Å; V131-L179 HydrophobicContact CG2-CD2 3.82Å; V131-L179 HydrophobicContact CG2-CG 4.06Å
132V90.5Very high94.3Very high40 Ų4070.8 Ų70.824%0.24237%0.366CS..EExtended strand (participates in β ladder)trans-121.3128.2175.1-178.40000107.2V130 G134 K135 L137V130-V132 HydrophobicContact CG2-CG2 3.97Å; V132-G134 PolarHBondContact O-N 2.94Å; V132-G134 VanDerWaalsContact O-N 3.16Å; V132-K135 PolarHBondContact N-O 3.46Å; V132-K135 PolarHBondContact O-N 3.42Å; V132-K135 VanDerWaalsContact O-O 3.13Å; V132-L137 HydrophobicContact CB-CD1 3.88Å; V132-L137 HydrophobicContact CG1-CD1 4.48Å; V132-L137 HydrophobicContact CG2-CD1 4.24Å
133N90.9Very high94.2Very high158 Ų15876.9 Ų76.985%0.84539%0.388SS*.THydrogen-bonded Turntrans50.841.4-179.5-59.4-25.4000113.3K135N133-K135 PolarHBondContact O-N 2.79Å; N133-K135 VanDerWaalsContact O-N 3.12Å
134G92.3Very high94Very high73 Ų7378.5 Ų78.575%0.75340%0.397SS*.THydrogen-bonded Turntrans72.3-3.3-178.800000115.4V132V132-G134 PolarHBondContact O-N 2.94Å; V132-G134 VanDerWaalsContact O-N 3.16Å
135K94Very high93.8Very high155 Ų15578.4 Ų78.467%0.67440%0.397SS*.EExtended strand (participates in β ladder)trans-103.4143179.6-65.7-179.4-177.6176.60110.7V131 V132 N133V131-K135 WeakPolarHBondContact CA-O 3.45Å; V132-K135 PolarHBondContact N-O 3.46Å; V132-K135 PolarHBondContact O-N 3.42Å; V132-K135 VanDerWaalsContact O-O 3.13Å; N133-K135 PolarHBondContact O-N 2.79Å; N133-K135 VanDerWaalsContact O-N 3.12Å
136R93.4Very high93.8Very high119 Ų11977.9 Ų77.945%0.44940%0.398SS..EExtended strand (participates in β ladder)trans-79.3119.6173178.9179.2179.8-153.3-2.9109.2A129 V130 L179A129-R136 HydrophobicContact CB-CG 4.04Å; V130-R136 WeakPolarHBondContact O-CA 3.45Å; R136-L179 HydrophobicContact CG-CD1 3.83Å
137L94.2Very high93.6Very high82 Ų8278.1 Ų78.143%0.42941%0.405SS..EExtended strand (participates in β ladder)trans-119.5147.7175.6-62.8178.4000110.2A129 V130 V132A129-L137 CarbonylContact C-O 3.46Å; A129-L137 WeakPolarHBondContact CA-O 3.16Å; A129-L137 WeakPolarHBondContact CB-O 3.47Å; V130-L137 PolarHBondContact N-O 3.24Å; V130-L137 PolarHBondContact O-N 3.19Å; V132-L137 HydrophobicContact CB-CD1 3.88Å; V132-L137 HydrophobicContact CG1-CD1 4.48Å; V132-L137 HydrophobicContact CG2-CD1 4.24Å
138Q94.9Very high93.5Very high148 Ų14876.7 Ų76.769%0.69241%0.409SS*.EExtended strand (participates in β ladder)trans-73.3144.7169.2-70.6-173.6-4.200109.4S140Q138-S140 PolarHBondContact O-N 3.35Å; Q138-S140 VanDerWaalsContact O-N 3.1Å
139L92.6Very high93.4Very high7 Ų776.8 Ų76.84%0.03741%0.409CS..SBendtrans-81.190-179.6-167.763.8000109.8A128 V130 T144 I145 I157 L160 F177A128-L139 HydrophobicContact CB-CB 3.9Å; A128-L139 HydrophobicContact CB-CD2 4.09Å; A128-L139 PolarHBondContact O-N 3.09Å; V130-L139 HydrophobicContact CG1-CD1 4.02Å; V130-L139 HydrophobicContact CG2-CD1 4.19Å; L139-T144 WeakPolarHBondContact CD1-OG1 3.28Å; L139-I145 HydrophobicContact CD1-CD1 3.96Å; L139-I145 HydrophobicContact CD1-CG1 3.61Å; L139-I145 HydrophobicContact CD2-CD1 3.91Å; L139-I145 HydrophobicContact CD2-CG1 4.27Å; L139-I145 HydrophobicContact CG-CD1 4.04Å; L139-I145 HydrophobicContact CG-CG1 4.25Å; L139-I157 HydrophobicContact CD2-CG1 4.48Å; L139-I157 HydrophobicContact CG-CG1 4.4Å; L139-L160 HydrophobicContact CD2-CD1 4.09Å; L139-F177 HydrophobicContact CD1-CE1 4.37Å
140S88.8Confident93.2Very high101 Ų10177.9 Ų77.971%0.70642%0.42SS*.  trans-114.9-23.7-18058.30000113.9Q138Q138-S140 PolarHBondContact O-N 3.35Å; Q138-S140 VanDerWaalsContact O-N 3.1Å
141D90.6Very high93.1Very high83 Ų8382.6 Ų82.644%0.44445%0.453SS..  trans-115.2127.9-174-174.16.3000110.6R143 T144D141-R143 PolarHBondContact O-N 3.06Å; D141-R143 PolarHBondContact OD1-N 3.01Å; D141-R143 VanDerWaalsContact OD1-N 3.15Å; D141-T144 HydrophobicContact CB-CG2 4.49Å; D141-T144 PolarHBondContact O-N 3.32Å; D141-T144 PolarHBondContact O-OG1 2.82Å
142N93.7Very high93Very high73 Ų7382.7 Ų82.739%0.3945%0.445SS..Hα-helixtrans-63.5-28.6178.9-71.3-30.4000111.8T144 I145 E146 C156 I157N142-T144 PolarHBondContact O-N 2.98Å; N142-I145 WeakPolarHBondContact O-CA 3.41Å; N142-I145 VanDerWaalsContact O-CB 3.32Å; N142-I145 WeakPolarHBondContact O-CB 3.31Å; N142-I145 PolarHBondContact O-N 3.4Å; N142-E146 PolarHBondContact O-N 3.02Å; N142-C156 HydrophobicContact CB-CB 4.46Å; N142-C156 WeakPolarHBondContact OD1-CA 3.48Å; N142-I157 WeakPolarHBondContact OD1-CG1 3.48Å; N142-I157 PolarHBondContact OD1-N 3.35Å
143R94.3Very high93.1Very high168 Ų16887.6 Ų87.663%0.63447%0.47SS*.Hα-helixtrans-56.8-39178.1-172.1175.8-179.4170.23112.5D141 I145 E146 D147D141-R143 PolarHBondContact O-N 3.06Å; D141-R143 PolarHBondContact OD1-N 3.01Å; D141-R143 VanDerWaalsContact OD1-N 3.15Å; R143-I145 PolarHBondContact O-N 3.38Å; R143-E146 PolarHBondContact O-N 2.81Å; R143-D147 WeakPolarHBondContact O-CB 3.25Å; R143-D147 PolarHBondContact O-N 2.9Å
144T93.4Very high93.2Very high33 Ų3380.3 Ų80.320%0.20243%0.431CS..Hα-helixtrans-65.1-28.2177.964.40000113.3L139 D141 N142 S148L139-T144 WeakPolarHBondContact CD1-OG1 3.28Å; D141-T144 HydrophobicContact CB-CG2 4.49Å; D141-T144 PolarHBondContact O-N 3.32Å; D141-T144 PolarHBondContact O-OG1 2.82Å; N142-T144 PolarHBondContact O-N 2.98Å; T144-S148 PolarHBondContact O-OG 3.16Å
145I94.3Very high93.2Very high0 Ų079.8 Ų79.80%041%0.413CS..Hα-helixtrans-76.7-51.7176.4-60.7174.8000108.9L139 N142 R143 D147 S148 L149 I154 I157 F177L139-I145 HydrophobicContact CD1-CD1 3.96Å; L139-I145 HydrophobicContact CD1-CG1 3.61Å; L139-I145 HydrophobicContact CD2-CD1 3.91Å; L139-I145 HydrophobicContact CD2-CG1 4.27Å; L139-I145 HydrophobicContact CG-CD1 4.04Å; L139-I145 HydrophobicContact CG-CG1 4.25Å; N142-I145 WeakPolarHBondContact O-CA 3.41Å; N142-I145 VanDerWaalsContact O-CB 3.32Å; N142-I145 WeakPolarHBondContact O-CB 3.31Å; N142-I145 PolarHBondContact O-N 3.4Å; R143-I145 PolarHBondContact O-N 3.38Å; I145-D147 PolarHBondContact O-N 3.43Å; I145-S148 PolarHBondContact O-N 3.27Å; I145-S148 VanDerWaalsContact O-N 3.09Å; I145-L149 HydrophobicContact CG2-CD1 4.24Å; I145-L149 WeakPolarHBondContact O-CA 3.23Å; I145-L149 WeakPolarHBondContact O-CB 3.17Å; I145-L149 PolarHBondContact O-N 3.48Å; I145-I154 HydrophobicContact CG2-CG2 3.8Å; I145-I157 HydrophobicContact CD1-CB 4.18Å; I145-I157 HydrophobicContact CD1-CG1 3.42Å; I145-I157 VanDerWaalsContact CD1-CG1 3.42Å; I145-F177 HydrophobicContact CG1-CE1 4.36Å
146E94.8Very high93.3Very high101 Ų10174 Ų7447%0.47239%0.392SS..Hα-helixtrans-56.9-46.4178.7-173176.8-171.500111.9N142 R143 S148 G150 V155N142-E146 PolarHBondContact O-N 3.02Å; R143-E146 PolarHBondContact O-N 2.81Å; E146-S148 PolarHBondContact O-N 3.27Å; E146-G150 VanDerWaalsContact O-CA 3.22Å; E146-G150 WeakPolarHBondContact O-CA 3.34Å; E146-G150 PolarHBondContact O-N 3.48Å; E146-V155 HydrophobicContact CB-CG1 4.22Å; E146-V155 HydrophobicContact CG-CG1 4.07Å
147D94.2Very high93.4Very high121 Ų12168.9 Ų68.965%0.64737%0.373SS*.Hα-helixtrans-59.1-31.9177.9-71.5-19.6000112.4R143 I145R143-D147 WeakPolarHBondContact O-CB 3.25Å; R143-D147 PolarHBondContact O-N 2.9Å; I145-D147 PolarHBondContact O-N 3.43Å
148S92.7Very high93.4Very high58 Ų5868.3 Ų68.341%0.40637%0.368SS..Hα-helixtrans-97.5-33.6-175-590000113.8T144 I145 E146 F177T144-S148 PolarHBondContact O-OG 3.16Å; I145-S148 PolarHBondContact O-N 3.27Å; I145-S148 VanDerWaalsContact O-N 3.09Å; E146-S148 PolarHBondContact O-N 3.27Å; S148-F177 WeakPolarHBondContact OG-CE2 3.41Å
149L94.3Very high93.4Very high5 Ų564.1 Ų64.13%0.02635%0.35CS..Hα-helixtrans-127.31-168.5-56.8-179.8000113.6I145 S151 Y152 I154 L160 I173 V174 F177I145-L149 HydrophobicContact CG2-CD1 4.24Å; I145-L149 WeakPolarHBondContact O-CA 3.23Å; I145-L149 WeakPolarHBondContact O-CB 3.17Å; I145-L149 PolarHBondContact O-N 3.48Å; L149-S151 PolarHBondContact O-N 3.12Å; L149-Y152 HydrophobicContact CD2-CD2 4.37Å; L149-Y152 WeakPolarHBondContact O-CA 3.39Å; L149-Y152 WeakPolarHBondContact O-CB 3.43Å; L149-Y152 PolarHBondContact O-N 2.85Å; L149-I154 CarbonylContact C-O 3.5Å; L149-I154 HydrophobicContact CB-CB 3.89Å; L149-I154 HydrophobicContact CB-CG2 4.18Å; L149-I154 HydrophobicContact CD1-CB 4.44Å; L149-I154 HydrophobicContact CD1-CD1 4.46Å; L149-I154 HydrophobicContact CD1-CG2 3.96Å; L149-I154 PolarHBondContact O-N 3.47Å; L149-L160 HydrophobicContact CD1-CD1 4.37Å; L149-I173 HydrophobicContact CD2-CG2 3.88Å; L149-V174 HydrophobicContact CD1-CG2 4.29Å; L149-F177 HydrophobicContact CD1-CB 4.41Å; L149-F177 HydrophobicContact CD1-CD1 3.71Å; L149-F177 HydrophobicContact CD1-CE1 4.07Å; L149-F177 HydrophobicContact CD1-CG 4.05Å; L149-F177 HydrophobicContact CD2-CB 4.31Å; L149-F177 HydrophobicContact CD2-CG 4.35Å; L149-F177 HydrophobicContact CG-CD1 4.36Å; L149-F177 HydrophobicContact CG-CG 4.32Å
150G92.2Very high93.5Very high25 Ų2563.8 Ų63.826%0.25835%0.349SS..G310 helixtrans-58.4-31.5-179.700000113.2E146 Y152 N153E146-G150 VanDerWaalsContact O-CA 3.22Å; E146-G150 WeakPolarHBondContact O-CA 3.34Å; E146-G150 PolarHBondContact O-N 3.48Å; G150-Y152 PolarHBondContact O-N 2.95Å; G150-Y152 VanDerWaalsContact O-N 3.12Å; G150-N153 PolarHBondContact O-N 2.88Å
151S94.1Very high93.8Very high100 Ų10059 Ų5970%0.69932%0.315SS*.G310 helixtrans-61.4-17.6172.4570000114.7L149L149-S151 PolarHBondContact O-N 3.12Å
152Y93.5Very high94Very high86 Ų8660.7 Ų60.734%0.33732%0.32SS..G310 helixtrans-106.616.3176.9-56.2-74000112.5L149 G150 I154 H170 I173L149-Y152 HydrophobicContact CD2-CD2 4.37Å; L149-Y152 WeakPolarHBondContact O-CA 3.39Å; L149-Y152 WeakPolarHBondContact O-CB 3.43Å; L149-Y152 PolarHBondContact O-N 2.85Å; G150-Y152 PolarHBondContact O-N 2.95Å; G150-Y152 VanDerWaalsContact O-N 3.12Å; Y152-I154 VanDerWaalsContact C-N 3.28Å; Y152-I154 PolarHBondContact O-N 3.15Å; Y152-H170 AromaticContact CD1-CE1 3.59Å; Y152-H170 AromaticContact CD1-CG 3.9Å; Y152-H170 AromaticContact CD1-ND1 3.55Å; Y152-H170 AromaticContact CD1-NE2 3.95Å; Y152-I173 HydrophobicContact CD1-CD1 3.95Å; Y152-I173 HydrophobicContact CD2-CG2 4.19Å; Y152-I173 HydrophobicContact CE1-CD1 3.45Å; Y152-I173 VanDerWaalsContact CE1-CD1 3.45Å; Y152-I173 HydrophobicContact CE2-CD1 4.16Å; Y152-I173 HydrophobicContact CE2-CG2 3.91Å; Y152-I173 HydrophobicContact CG-CD1 4.47Å
153N92Very high94.1Very high144 Ų14458 Ų5877%0.7731%0.306SS*.THydrogen-bonded Turntrans58.234.5-175.9-60-33.6000114G150G150-N153 PolarHBondContact O-N 2.88Å
154I93.8Very high94.2Very high5 Ų550.1 Ų50.13%0.02628%0.276CS..  trans-114.4104.6174.5-62.1157.4000107.1I145 L149 Y152 D159 L160 E163 H170 V174I145-I154 HydrophobicContact CG2-CG2 3.8Å; L149-I154 CarbonylContact C-O 3.5Å; L149-I154 HydrophobicContact CB-CB 3.89Å; L149-I154 HydrophobicContact CB-CG2 4.18Å; L149-I154 HydrophobicContact CD1-CB 4.44Å; L149-I154 HydrophobicContact CD1-CD1 4.46Å; L149-I154 HydrophobicContact CD1-CG2 3.96Å; L149-I154 PolarHBondContact O-N 3.47Å; Y152-I154 VanDerWaalsContact C-N 3.28Å; Y152-I154 PolarHBondContact O-N 3.15Å; I154-D159 HydrophobicContact CB-CB 4.46Å; I154-D159 HydrophobicContact CG2-CB 3.97Å; I154-L160 HydrophobicContact CG2-CB 4.23Å; I154-E163 HydrophobicContact CD1-CG 4.21Å; I154-H170 HydrophobicContact CD1-CB 4.35Å; I154-V174 HydrophobicContact CD1-CG2 3.34Å
155V92.6Very high94.3Very high62 Ų6252.2 Ų52.238%0.37628%0.282SS..  trans-108.6-33.6-169.4-177.50000111.1E146 D159E146-V155 HydrophobicContact CB-CG1 4.22Å; E146-V155 HydrophobicContact CG-CG1 4.07Å; V155-D159 PolarHBondContact N-OD2 3.36Å
156C94.6Very high94.2Very high33 Ų3355.6 Ų55.622%0.22330%0.303CS..SBendtrans-126172.1-176.272.50000114.1N142 E158 D159 L160N142-C156 HydrophobicContact CB-CB 4.46Å; N142-C156 WeakPolarHBondContact OD1-CA 3.48Å; C156-E158 VanDerWaalsContact C-N 3.27Å; C156-E158 PolarHBondContact O-N 2.96Å; C156-D159 PolarHBondContact N-OD2 3.3Å; C156-D159 PolarHBondContact O-N 3.16Å; C156-D159 PolarHBondContact SG-N 3.18Å; C156-D159 VanDerWaalsContact SG-N 3.45Å; C156-D159 PolarHBondContact SG-OD2 2.86Å; C156-L160 PolarHBondContact O-N 2.88Å
157I95.3Very high94.2Very high11 Ų1152.5 Ų52.56%0.05629%0.289CS..Hα-helixtrans-59.6-37.1175.7-67.2168.7000111.6I124 Y125 L139 N142 I145 L160 I161I124-I157 HydrophobicContact CG2-CG2 3.84Å; Y125-I157 HydrophobicContact CD1-CD1 4.48Å; Y125-I157 HydrophobicContact CD1-CG2 4.21Å; Y125-I157 HydrophobicContact CE1-CB 4.36Å; Y125-I157 HydrophobicContact CE1-CD1 4.13Å; Y125-I157 HydrophobicContact CE1-CG2 3.74Å; Y125-I157 HydrophobicContact CE2-CG2 4.25Å; L139-I157 HydrophobicContact CD2-CG1 4.48Å; L139-I157 HydrophobicContact CG-CG1 4.4Å; N142-I157 WeakPolarHBondContact OD1-CG1 3.48Å; N142-I157 PolarHBondContact OD1-N 3.35Å; I145-I157 HydrophobicContact CD1-CB 4.18Å; I145-I157 HydrophobicContact CD1-CG1 3.42Å; I145-I157 VanDerWaalsContact CD1-CG1 3.42Å; I157-L160 WeakPolarHBondContact O-CB 3.27Å; I157-L160 PolarHBondContact O-N 3.25Å; I157-I161 HydrophobicContact CG2-CD1 3.84Å; I157-I161 HydrophobicContact CG2-CG1 4.36Å; I157-I161 WeakPolarHBondContact O-CG1 3.28Å; I157-I161 PolarHBondContact O-N 3.49Å
158E95.3Very high94Very high70 Ų7047.5 Ų47.533%0.32727%0.266SS..Hα-helixtrans-68.7-37.3179.5-70.6-64.2141.700112R121 Y125 C156 L160 I161 H162R121-E158 IonicContact CZ-OE2 3.72Å; R121-E158 IonicContact NE-OE1 3.59Å; R121-E158 IonicContact NE-OE2 3.35Å; R121-E158 IonicContact NH2-OE2 2.67Å; R121-E158 PolarHBondContact NH2-OE2 3.43Å; Y125-E158 VanDerWaalsContact CE2-OE1 3.24Å; Y125-E158 WeakPolarHBondContact CE2-OE1 3.22Å; Y125-E158 VanDerWaalsContact CZ-OE1 3.28Å; Y125-E158 PolarHBondContact OH-OE1 2.91Å; C156-E158 VanDerWaalsContact C-N 3.27Å; C156-E158 PolarHBondContact O-N 2.96Å; E158-L160 VanDerWaalsContact C-N 3.28Å; E158-L160 PolarHBondContact O-N 3.03Å; E158-I161 PolarHBondContact O-N 2.89Å; E158-H162 WeakPolarHBondContact O-CB 2.94Å; E158-H162 PolarHBondContact O-N 3.17Å
159D94.4Very high94Very high60 Ų6050.3 Ų50.332%0.32128%0.283SS..Hα-helixtrans-60.6-42.2172.9-57.5-30.6000110.6I154 V155 C156 H162 E163I154-D159 HydrophobicContact CB-CB 4.46Å; I154-D159 HydrophobicContact CG2-CB 3.97Å; V155-D159 PolarHBondContact N-OD2 3.36Å; C156-D159 PolarHBondContact N-OD2 3.3Å; C156-D159 PolarHBondContact O-N 3.16Å; C156-D159 PolarHBondContact SG-N 3.18Å; C156-D159 VanDerWaalsContact SG-N 3.45Å; C156-D159 PolarHBondContact SG-OD2 2.86Å; D159-H162 PolarHBondContact O-N 3.47Å; D159-E163 VanDerWaalsContact O-CB 3.28Å; D159-E163 WeakPolarHBondContact O-CB 3.42Å; D159-E163 PolarHBondContact O-N 2.76Å
160L95.1Very high94Very high0 Ų053 Ų530%030%0.295CS..Hα-helixtrans-62.6-42.2176.2-178.7145.3000111.9I124 L139 L149 I154 C156 I157 E158 I164 V174 F177 V178I124-L160 HydrophobicContact CD1-CD2 3.82Å; I124-L160 HydrophobicContact CG1-CD2 4.18Å; I124-L160 HydrophobicContact CG2-CD2 3.72Å; L139-L160 HydrophobicContact CD2-CD1 4.09Å; L149-L160 HydrophobicContact CD1-CD1 4.37Å; I154-L160 HydrophobicContact CG2-CB 4.23Å; C156-L160 PolarHBondContact O-N 2.88Å; I157-L160 WeakPolarHBondContact O-CB 3.27Å; I157-L160 PolarHBondContact O-N 3.25Å; E158-L160 VanDerWaalsContact C-N 3.28Å; E158-L160 PolarHBondContact O-N 3.03Å; L160-I164 HydrophobicContact CD2-CD1 3.76Å; L160-I164 HydrophobicContact CG-CD1 4.32Å; L160-I164 WeakPolarHBondContact O-CB 3.47Å; L160-I164 WeakPolarHBondContact O-CG1 3.36Å; L160-I164 PolarHBondContact O-N 3.22Å; L160-I164 VanDerWaalsContact O-N 3.12Å; L160-V174 HydrophobicContact CD1-CG1 3.93Å; L160-V174 HydrophobicContact CD2-CG1 4.43Å; L160-V174 HydrophobicContact CG-CG1 3.58Å; L160-F177 HydrophobicContact CD1-CD1 3.99Å; L160-F177 HydrophobicContact CD1-CE1 4.1Å; L160-V178 HydrophobicContact CD1-CG2 3.95Å; L160-V178 HydrophobicContact CD2-CG2 4.24Å
161I95.8Very high94.2Very high2 Ų252.4 Ų52.41%0.0129%0.286CS..Hα-helixtrans-63.5-47174.9-70.3163000110.4L117 V120 R121 I124 Y125 I157 E158 I164 F165L117-I161 HydrophobicContact CD1-CG2 3.9Å; V120-I161 HydrophobicContact CG1-CG2 4.23Å; R121-I161 HydrophobicContact CB-CD1 4.35Å; R121-I161 HydrophobicContact CG-CD1 4.11Å; I124-I161 HydrophobicContact CB-CD1 4.5Å; I124-I161 HydrophobicContact CB-CG1 4.06Å; I124-I161 HydrophobicContact CD1-CB 4.28Å; I124-I161 HydrophobicContact CD1-CG1 3.54Å; I124-I161 HydrophobicContact CG1-CG1 4.4Å; I124-I161 HydrophobicContact CG2-CD1 4.33Å; I124-I161 HydrophobicContact CG2-CG1 3.94Å; Y125-I161 HydrophobicContact CD2-CD1 4.05Å; Y125-I161 HydrophobicContact CE2-CD1 3.56Å; I157-I161 HydrophobicContact CG2-CD1 3.84Å; I157-I161 HydrophobicContact CG2-CG1 4.36Å; I157-I161 WeakPolarHBondContact O-CG1 3.28Å; I157-I161 PolarHBondContact O-N 3.49Å; E158-I161 PolarHBondContact O-N 2.89Å; I161-I164 PolarHBondContact O-N 3.07Å; I161-F165 VanDerWaalsContact O-CB 3.31Å; I161-F165 WeakPolarHBondContact O-CB 3.42Å; I161-F165 PolarHBondContact O-N 3.23Å
162H93.9Very high94.2Very high117 Ų11755.7 Ų55.754%0.54229%0.287SS..Hα-helixtrans-59.9-48.1-179.9176.7-90.2000111.2E158 D159 I164 F165 T166E158-H162 WeakPolarHBondContact O-CB 2.94Å; E158-H162 PolarHBondContact O-N 3.17Å; D159-H162 PolarHBondContact O-N 3.47Å; H162-I164 VanDerWaalsContact C-N 3.33Å; H162-I164 PolarHBondContact O-N 2.94Å; H162-F165 PolarHBondContact O-N 2.79Å; H162-T166 WeakPolarHBondContact O-CB 3.47Å; H162-T166 WeakPolarHBondContact O-CG2 3.34Å; H162-T166 PolarHBondContact O-N 2.94Å; H162-T166 PolarHBondContact O-OG1 2.59Å
163E94.8Very high94.3Very high18 Ų1854.3 Ų54.38%0.08429%0.285CS..Hα-helixtrans-61.3-39.9179.1-17362.6-159.800112.1I154 D159 I167 G168 P169 H170 F171 V174I154-E163 HydrophobicContact CD1-CG 4.21Å; D159-E163 VanDerWaalsContact O-CB 3.28Å; D159-E163 WeakPolarHBondContact O-CB 3.42Å; D159-E163 PolarHBondContact O-N 2.76Å; E163-I167 PolarHBondContact O-N 3.47Å; E163-G168 PolarHBondContact O-N 3.37Å; E163-G168 WeakPolarHBondContact OE1-CA 3.4Å; E163-P169 WeakPolarHBondContact OE1-CD 3.35Å; E163-P169 VanDerWaalsContact OE1-N 3.07Å; E163-H170 VanDerWaalsContact OE1-C 3.28Å; E163-H170 VanDerWaalsContact OE1-CA 3.25Å; E163-H170 WeakPolarHBondContact OE1-CA 3.42Å; E163-H170 PolarHBondContact OE1-N 2.78Å; E163-F171 PolarHBondContact OE1-N 3.13Å; E163-V174 HydrophobicContact CB-CG2 4.34Å; E163-V174 HydrophobicContact CG-CB 4.38Å; E163-V174 HydrophobicContact CG-CG2 3.66Å
164I96.3Very high94.5Very high1 Ų147.4 Ų47.41%0.00525%0.249CC..Hα-helixtrans-68.3-49.7175.1-72.5170.2000111.1L59 F92 V120 I124 L160 I161 H162 I167 F171 V174L59-I164 HydrophobicContact CD1-CG2 4.4Å; L59-I164 HydrophobicContact CD2-CG2 4.23Å; F92-I164 HydrophobicContact CB-CG2 4.22Å; F92-I164 HydrophobicContact CD1-CG2 4.19Å; F92-I164 HydrophobicContact CD2-CD1 4.21Å; F92-I164 HydrophobicContact CD2-CG2 3.58Å; F92-I164 HydrophobicContact CE2-CD1 4.43Å; F92-I164 HydrophobicContact CE2-CG2 3.92Å; F92-I164 HydrophobicContact CG-CG2 3.73Å; F92-I164 HydrophobicContact CZ-CG2 4.39Å; V120-I164 HydrophobicContact CG1-CG2 4.06Å; I124-I164 HydrophobicContact CD1-CD1 3.74Å; L160-I164 HydrophobicContact CD2-CD1 3.76Å; L160-I164 HydrophobicContact CG-CD1 4.32Å; L160-I164 WeakPolarHBondContact O-CB 3.47Å; L160-I164 WeakPolarHBondContact O-CG1 3.36Å; L160-I164 PolarHBondContact O-N 3.22Å; L160-I164 VanDerWaalsContact O-N 3.12Å; I161-I164 PolarHBondContact O-N 3.07Å; H162-I164 VanDerWaalsContact C-N 3.33Å; H162-I164 PolarHBondContact O-N 2.94Å; I164-I167 PolarHBondContact O-N 2.78Å; I164-F171 HydrophobicContact CG2-CE2 4.32Å; I164-V174 HydrophobicContact CD1-CG1 3.86Å; I164-V174 HydrophobicContact CG1-CG1 3.76Å
165F95.6Very high94.5Very high78 Ų7847.9 Ų47.934%0.34225%0.251SS..Hα-helixtrans-65.8-42.3-172.8-174.9-110.4000112.4L59 L117 V120 I161 H162 I167L59-F165 HydrophobicContact CD2-CD2 4.28Å; L117-F165 HydrophobicContact CB-CD1 4.45Å; L117-F165 HydrophobicContact CB-CD2 4.25Å; L117-F165 HydrophobicContact CB-CE1 4.14Å; L117-F165 HydrophobicContact CB-CE2 3.94Å; L117-F165 HydrophobicContact CB-CZ 3.88Å; L117-F165 HydrophobicContact CD1-CB 4.16Å; L117-F165 HydrophobicContact CD1-CD1 3.95Å; L117-F165 HydrophobicContact CD1-CD2 4.24Å; L117-F165 HydrophobicContact CD1-CE1 4.43Å; L117-F165 HydrophobicContact CD1-CG 3.84Å; V120-F165 HydrophobicContact CG2-CD2 4.07Å; I161-F165 VanDerWaalsContact O-CB 3.31Å; I161-F165 WeakPolarHBondContact O-CB 3.42Å; I161-F165 PolarHBondContact O-N 3.23Å; H162-F165 PolarHBondContact O-N 2.79Å; F165-I167 VanDerWaalsContact C-N 3.33Å
166T93.7Very high94.6Very high71 Ų7150 Ų5044%0.43626%0.26SS..Hα-helixtrans-84.2-6.3-178.9610000113.7H162H162-T166 WeakPolarHBondContact O-CB 3.47Å; H162-T166 WeakPolarHBondContact O-CG2 3.34Å; H162-T166 PolarHBondContact O-N 2.94Å; H162-T166 PolarHBondContact O-OG1 2.59Å
167I93.9Very high94.6Very high35 Ų3550.2 Ų50.218%0.17926%0.257CS..THydrogen-bonded Turntrans54.356.3-170.9-41.4173.9000109.9R57 R58 L59 N94 E163 I164 F165 F171R57-I167 HydrophobicContact CB-CD1 4.43Å; R58-I167 VanDerWaalsContact C-CD1 3.43Å; L59-I167 HydrophobicContact CB-CD1 4.22Å; L59-I167 HydrophobicContact CB-CG1 4.15Å; L59-I167 VanDerWaalsContact N-CD1 3.34Å; N94-I167 HydrophobicContact CB-CG2 4.06Å; E163-I167 PolarHBondContact O-N 3.47Å; I164-I167 PolarHBondContact O-N 2.78Å; F165-I167 VanDerWaalsContact C-N 3.33Å; I167-F171 HydrophobicContact CG2-CB 4.26Å; I167-F171 HydrophobicContact CG2-CD1 4.33Å; I167-F171 HydrophobicContact CG2-CD2 4.22Å; I167-F171 HydrophobicContact CG2-CG 4Å
168G90.7Very high94.7Very high16 Ų1649.8 Ų49.817%0.16526%0.256CS..  trans-65.6178-178.100000114.2E163 H170 F171E163-G168 PolarHBondContact O-N 3.37Å; E163-G168 WeakPolarHBondContact OE1-CA 3.4Å; G168-H170 VanDerWaalsContact C-N 3.25Å; G168-H170 PolarHBondContact O-N 2.94Å; G168-F171 VanDerWaalsContact O-CB 3.27Å; G168-F171 WeakPolarHBondContact O-CB 3.44Å; G168-F171 PolarHBondContact O-N 3.29Å; G168-F171 VanDerWaalsContact O-N 3.16Å
169P92.8Very high94.8Very high118 Ų11848.7 Ų48.777%0.76625%0.252SS*.THydrogen-bonded Turntrans-60.3-31.4-174.625.4-34.6000113.9E163E163-P169 WeakPolarHBondContact OE1-CD 3.35Å; E163-P169 VanDerWaalsContact OE1-N 3.07Å
170H94.3Very high94.9Very high61 Ų6147.3 Ų47.328%0.28225%0.246SC..THydrogen-bonded Turntrans-102.911.9-178.8-57.6-54.7000113Y152 I154 E163 G168 K172 I173 V174Y152-H170 AromaticContact CD1-CE1 3.59Å; Y152-H170 AromaticContact CD1-CG 3.9Å; Y152-H170 AromaticContact CD1-ND1 3.55Å; Y152-H170 AromaticContact CD1-NE2 3.95Å; I154-H170 HydrophobicContact CD1-CB 4.35Å; E163-H170 VanDerWaalsContact OE1-C 3.28Å; E163-H170 VanDerWaalsContact OE1-CA 3.25Å; E163-H170 WeakPolarHBondContact OE1-CA 3.42Å; E163-H170 PolarHBondContact OE1-N 2.78Å; G168-H170 VanDerWaalsContact C-N 3.25Å; G168-H170 PolarHBondContact O-N 2.94Å; H170-K172 PolarHBondContact O-N 2.99Å; H170-I173 HydrophobicContact CB-CD1 4.35Å; H170-I173 WeakPolarHBondContact O-CA 3.22Å; H170-I173 WeakPolarHBondContact O-CB 3.41Å; H170-I173 PolarHBondContact O-N 3.48Å; H170-V174 PolarHBondContact O-N 3.11Å
171F95.4Very high95Very high13 Ų1347.5 Ų47.56%0.05725%0.247CC..Hα-helixtrans-43.6-44.4178.3174.5-94.8000113.8L59 F92 N94 E163 I164 I167 G168 I173 N175L59-F171 HydrophobicContact CD1-CE2 3.77Å; L59-F171 HydrophobicContact CD1-CZ 4.03Å; F92-F171 HydrophobicContact CB-CE2 4.46Å; F92-F171 HydrophobicContact CB-CZ 4.22Å; N94-F171 HydrophobicContact CB-CE1 4.19Å; E163-F171 PolarHBondContact OE1-N 3.13Å; I164-F171 HydrophobicContact CG2-CE2 4.32Å; I167-F171 HydrophobicContact CG2-CB 4.26Å; I167-F171 HydrophobicContact CG2-CD1 4.33Å; I167-F171 HydrophobicContact CG2-CD2 4.22Å; I167-F171 HydrophobicContact CG2-CG 4Å; G168-F171 VanDerWaalsContact O-CB 3.27Å; G168-F171 WeakPolarHBondContact O-CB 3.44Å; G168-F171 PolarHBondContact O-N 3.29Å; G168-F171 VanDerWaalsContact O-N 3.16Å; F171-I173 VanDerWaalsContact C-N 3.34Å; F171-I173 PolarHBondContact O-N 2.91Å; F171-N175 HydrophobicContact CE1-CB 4.38Å; F171-N175 HydrophobicContact CZ-CB 4.42Å; F171-N175 WeakPolarHBondContact O-CB 3.35Å; F171-N175 PolarHBondContact O-N 3.27Å
172K94.5Very high95.1Very high168 Ų16853.9 Ų53.973%0.7327%0.271SS*.Hα-helixtrans-64.4-38.3-179.7-69.7-178.2-178.1173.60112.5H170 N176H170-K172 PolarHBondContact O-N 2.99Å; K172-N176 WeakPolarHBondContact O-CB 3.32Å; K172-N176 PolarHBondContact O-N 3.07Å; K172-N176 VanDerWaalsContact O-N 3.15Å; K172-N176 PolarHBondContact O-ND2 2.81Å; K172-N176 VanDerWaalsContact O-ND2 3.16Å
173I95.1Very high95.2Very high57 Ų5749 Ų4929%0.29225%0.249SC..Hα-helixtrans-69.1-50.1-179.6-59.5174.2000108.5L149 Y152 H170 F171 N175 N176 F177L149-I173 HydrophobicContact CD2-CG2 3.88Å; Y152-I173 HydrophobicContact CD1-CD1 3.95Å; Y152-I173 HydrophobicContact CD2-CG2 4.19Å; Y152-I173 HydrophobicContact CE1-CD1 3.45Å; Y152-I173 VanDerWaalsContact CE1-CD1 3.45Å; Y152-I173 HydrophobicContact CE2-CD1 4.16Å; Y152-I173 HydrophobicContact CE2-CG2 3.91Å; Y152-I173 HydrophobicContact CG-CD1 4.47Å; H170-I173 HydrophobicContact CB-CD1 4.35Å; H170-I173 WeakPolarHBondContact O-CA 3.22Å; H170-I173 WeakPolarHBondContact O-CB 3.41Å; H170-I173 PolarHBondContact O-N 3.48Å; F171-I173 VanDerWaalsContact C-N 3.34Å; F171-I173 PolarHBondContact O-N 2.91Å; I173-N175 PolarHBondContact O-N 2.73Å; I173-N176 PolarHBondContact O-N 3.38Å; I173-F177 PolarHBondContact O-N 2.95Å
174V95.7Very high95.3Very high0 Ų050.7 Ų50.70%026%0.263CS..Hα-helixtrans-60.5-47.2178-179.30000112.4L149 I154 L160 E163 I164 H170 N176 F177 V178L149-V174 HydrophobicContact CD1-CG2 4.29Å; I154-V174 HydrophobicContact CD1-CG2 3.34Å; L160-V174 HydrophobicContact CD1-CG1 3.93Å; L160-V174 HydrophobicContact CD2-CG1 4.43Å; L160-V174 HydrophobicContact CG-CG1 3.58Å; E163-V174 HydrophobicContact CB-CG2 4.34Å; E163-V174 HydrophobicContact CG-CB 4.38Å; E163-V174 HydrophobicContact CG-CG2 3.66Å; I164-V174 HydrophobicContact CD1-CG1 3.86Å; I164-V174 HydrophobicContact CG1-CG1 3.76Å; H170-V174 PolarHBondContact O-N 3.11Å; V174-N176 PolarHBondContact O-N 3.3Å; V174-F177 WeakPolarHBondContact O-CB 3.36Å; V174-F177 PolarHBondContact O-N 3.48Å; V174-V178 PolarHBondContact O-N 3.28Å; V174-V178 VanDerWaalsContact O-N 3.14Å
175N94.9Very high95.2Very high14 Ų1457.6 Ų57.68%0.07529%0.293CS..Hα-helixtrans-63.5-32179.3-171.740.4000111.8R83 F92 F171 I173R83-N175 PolarHBondContact NH1-O 3.2Å; R83-N175 PolarHBondContact NH2-O 2.86Å; F92-N175 PolarHBondContact O-ND2 3.24Å; F92-N175 PolarHBondContact O-OD1 3.14Å; F171-N175 HydrophobicContact CE1-CB 4.38Å; F171-N175 HydrophobicContact CZ-CB 4.42Å; F171-N175 WeakPolarHBondContact O-CB 3.35Å; F171-N175 PolarHBondContact O-N 3.27Å; I173-N175 PolarHBondContact O-N 2.73Å
176N94.7Very high95.3Very high107 Ų10754.2 Ų54.257%0.57228%0.278SS*.Hα-helixtrans-76-34.8175.9-76.4-22.3000112.9K172 I173 V174K172-N176 WeakPolarHBondContact O-CB 3.32Å; K172-N176 PolarHBondContact O-N 3.07Å; K172-N176 VanDerWaalsContact O-N 3.15Å; K172-N176 PolarHBondContact O-ND2 2.81Å; K172-N176 VanDerWaalsContact O-ND2 3.16Å; I173-N176 PolarHBondContact O-N 3.38Å; V174-N176 PolarHBondContact O-N 3.3Å
177F95.5Very high95.3Very high37 Ų3755 Ų5516%0.16229%0.287CS..Hα-helixtrans-59.5-47174.7171.9-110.2000111.6V130 L139 I145 S148 L149 L160 I173 V174V130-F177 HydrophobicContact CB-CE2 4.28Å; V130-F177 HydrophobicContact CB-CZ 4.14Å; V130-F177 HydrophobicContact CG1-CD1 3.95Å; V130-F177 HydrophobicContact CG1-CD2 4.45Å; V130-F177 HydrophobicContact CG1-CE1 3.51Å; V130-F177 HydrophobicContact CG1-CE2 4.04Å; V130-F177 HydrophobicContact CG1-CG 4.42Å; V130-F177 HydrophobicContact CG1-CZ 3.57Å; L139-F177 HydrophobicContact CD1-CE1 4.37Å; I145-F177 HydrophobicContact CG1-CE1 4.36Å; S148-F177 WeakPolarHBondContact OG-CE2 3.41Å; L149-F177 HydrophobicContact CD1-CB 4.41Å; L149-F177 HydrophobicContact CD1-CD1 3.71Å; L149-F177 HydrophobicContact CD1-CE1 4.07Å; L149-F177 HydrophobicContact CD1-CG 4.05Å; L149-F177 HydrophobicContact CD2-CB 4.31Å; L149-F177 HydrophobicContact CD2-CG 4.35Å; L149-F177 HydrophobicContact CG-CD1 4.36Å; L149-F177 HydrophobicContact CG-CG 4.32Å; L160-F177 HydrophobicContact CD1-CD1 3.99Å; L160-F177 HydrophobicContact CD1-CE1 4.1Å; I173-F177 PolarHBondContact O-N 2.95Å; V174-F177 WeakPolarHBondContact O-CB 3.36Å; V174-F177 PolarHBondContact O-N 3.48Å
178V96.3Very high95.3Very high3 Ų357.9 Ų57.92%0.01833%0.325CS..SBendtrans-75.8126.3175.8-174.80000110.1R83 A128 L160 V174 F181R83-V178 PolarHBondContact NH2-O 3.31Å; A128-V178 HydrophobicContact CB-CG1 3.98Å; L160-V178 HydrophobicContact CD1-CG2 3.95Å; L160-V178 HydrophobicContact CD2-CG2 4.24Å; V174-V178 PolarHBondContact O-N 3.28Å; V174-V178 VanDerWaalsContact O-N 3.14Å; V178-F181 HydrophobicContact CG1-CE1 4.17Å; V178-F181 HydrophobicContact CG1-CZ 3.91Å
179L96.7Very high95.4Very high47 Ų4759 Ų5925%0.24634%0.336CS..PPolyproline II helixtrans-63.6154.7173.5-70.1175.1000111.4A129 V131 R136 F181A129-L179 HydrophobicContact CB-CD1 4.29Å; A129-L179 VanDerWaalsContact O-CB 3.24Å; A129-L179 WeakPolarHBondContact O-CB 3.36Å; A129-L179 WeakPolarHBondContact O-CG 3.49Å; A129-L179 PolarHBondContact O-N 2.89Å; V131-L179 HydrophobicContact CG2-CD1 3.8Å; V131-L179 HydrophobicContact CG2-CD2 3.82Å; V131-L179 HydrophobicContact CG2-CG 4.06Å; R136-L179 HydrophobicContact CG-CD1 3.83Å; L179-F181 PolarHBondContact O-N 3.06Å
180P97.7Very high95.5Very high31 Ų3155.2 Ų55.220%0.20131%0.306CS..PPolyproline II helixtrans-54128.1171.7-24.335.4000111R83 G90 V91 R182R83-P180 HydrophobicContact CB-CG 3.76Å; G90-P180 CarbonylContact O-C 3.57Å; G90-P180 WeakPolarHBondContact O-CA 3.28Å; V91-P180 HydrophobicContact CG1-CB 3.76Å; V91-P180 HydrophobicContact CG1-CG 4.04Å; P180-R182 PolarHBondContact O-N 3.49Å
181F97.7Very high95.4Very high3 Ų357.4 Ų57.41%0.01332%0.324CS..EExtended strand (participates in β ladder)trans-59.2132-179.1-62-80000109.6F61 S89 G90 F92 L123 I124 R127 A128 V178 L179 L183F61-F181 AromaticContact CE2-CD2 3.74Å; F61-F181 HydrophobicContact CE2-CD2 3.74Å; F61-F181 HydrophobicContact CE2-CE2 4.26Å; F61-F181 HydrophobicContact CE2-CG 4.49Å; F61-F181 HydrophobicContact CZ-CD2 4.33Å; S89-F181 CarbonylContact C-O 3.57Å; S89-F181 WeakPolarHBondContact CA-O 3.44Å; G90-F181 PolarHBondContact N-O 3.33Å; G90-F181 WeakPolarHBondContact O-CD2 3.47Å; G90-F181 PolarHBondContact O-N 3.38Å; F92-F181 AromaticContact CD2-CE2 3.64Å; F92-F181 HydrophobicContact CD2-CE2 3.64Å; F92-F181 HydrophobicContact CD2-CZ 4.13Å; F92-F181 HydrophobicContact CE2-CD2 4.47Å; F92-F181 AromaticContact CE2-CE2 3.35Å; F92-F181 HydrophobicContact CE2-CE2 3.35Å; F92-F181 AromaticContact CE2-CZ 3.51Å; F92-F181 HydrophobicContact CE2-CZ 3.51Å; F92-F181 HydrophobicContact CZ-CE2 4.15Å; F92-F181 HydrophobicContact CZ-CZ 4.36Å; L123-F181 HydrophobicContact CB-CE1 4.24Å; L123-F181 HydrophobicContact CB-CZ 4.49Å; L123-F181 HydrophobicContact CD2-CD1 4.38Å; L123-F181 HydrophobicContact CD2-CG 4.32Å; L123-F181 WeakPolarHBondContact O-CE1 3.11Å; I124-F181 HydrophobicContact CG1-CE1 4.44Å; I124-F181 HydrophobicContact CG1-CZ 4.14Å; R127-F181 HydrophobicContact CB-CD1 3.84Å; A128-F181 HydrophobicContact CB-CE1 4.13Å; V178-F181 HydrophobicContact CG1-CE1 4.17Å; V178-F181 HydrophobicContact CG1-CZ 3.91Å; L179-F181 PolarHBondContact O-N 3.06Å; F181-L183 HydrophobicContact CB-CD2 4.18Å
182R96.1Very high95.2Very high136 Ų13663 Ų6351%0.51335%0.348SS..EExtended strand (participates in β ladder)trans-101.2107.1170.3-64-165.9-174.6-179.90.2108.1P180P180-R182 PolarHBondContact O-N 3.49Å
183L97.1Very high95.1Very high15 Ų1557.5 Ų57.58%0.07933%0.325CS..PPolyproline II helixtrans-96.2157.5-178.1-56.5-175.8000111.5F61 L63 N88 L123 R127 F181 L214 M217 V218F61-L183 HydrophobicContact CE1-CD1 4.08Å; F61-L183 HydrophobicContact CZ-CD1 4.08Å; L63-L183 HydrophobicContact CD1-CD1 3.86Å; N88-L183 WeakPolarHBondContact CB-O 3.02Å; N88-L183 PolarHBondContact O-N 2.93Å; L123-L183 HydrophobicContact CD2-CD1 4.41Å; L123-L183 HydrophobicContact CD2-CD2 3.64Å; R127-L183 HydrophobicContact CG-CD2 4.06Å; F181-L183 HydrophobicContact CB-CD2 4.18Å; L183-L214 HydrophobicContact CD1-CD2 3.92Å; L183-M217 HydrophobicContact CB-CB 4.18Å; L183-M217 HydrophobicContact CB-CE 3.97Å; L183-M217 HydrophobicContact CD1-CB 4.25Å; L183-M217 HydrophobicContact CD1-CE 4.34Å; L183-V218 HydrophobicContact CD2-CG2 4.16Å
184S96.1Very high95Very high54 Ų5463.1 Ų63.138%0.37835%0.347SS..PPolyproline II helixtrans-69.9171.6169.667.30000110.2M217S184-M217 PolarHBondContact N-O 3.19Å; S184-M217 VanDerWaalsContact N-O 3.16Å; S184-M217 WeakPolarHBondContact O-CE 3.46Å; S184-M217 WeakPolarHBondContact OG-CA 3.26Å; S184-M217 PolarHBondContact OG-O 3.01Å
185K95.2Very high94.9Very high146 Ų14665.3 Ų65.364%0.63536%0.363SS*.PPolyproline II helixtrans-69.4146.1164.8-69.2173.3-176.51710107.7N88 S187N88-K185 VanDerWaalsContact ND2-CG 3.32Å; N88-K185 WeakPolarHBondContact ND2-CG 3.37Å; K185-S187 PolarHBondContact O-N 2.91Å
186P96.3Very high94.8Very high7 Ų765.5 Ų65.55%0.04537%0.365CS..PPolyproline II helixtrans-57.1136.7175.324.7-33.3000110G188 G189 W190 L213 L216 M217P186-G188 PolarHBondContact O-N 2.74Å; P186-G189 WeakPolarHBondContact CG-O 3.33Å; P186-G189 WeakPolarHBondContact O-CA 3.46Å; P186-G189 PolarHBondContact O-N 2.59Å; P186-W190 HydrophobicContact CG-CD2 3.8Å; P186-W190 HydrophobicContact CG-CE3 4.08Å; P186-W190 HydrophobicContact CG-CG 4.17Å; P186-W190 HydrophobicContact CG-CH2 4.35Å; P186-W190 HydrophobicContact CG-CZ2 4.12Å; P186-W190 HydrophobicContact CG-CZ3 4.34Å; P186-L213 HydrophobicContact CB-CD1 3.92Å; P186-L213 HydrophobicContact CG-CD1 4.3Å; P186-L216 WeakPolarHBondContact CA-O 3.35Å; P186-L216 HydrophobicContact CB-CB 4.16Å; P186-M217 HydrophobicContact CB-CG 3.75Å; P186-M217 HydrophobicContact CB-SD 4.26Å; P186-M217 HydrophobicContact CG-CG 4.44Å; P186-M217 HydrophobicContact CG-SD 4.45Å
187S94.8Very high94.8Very high88 Ų8863.6 Ų63.662%0.61535%0.351SS*.THydrogen-bonded Turntrans-53.4126.1170.3-61.50000110K185 G189 L216K185-S187 PolarHBondContact O-N 2.91Å; S187-G189 VanDerWaalsContact C-N 3.34Å; S187-L216 PolarHBondContact N-O 2.76Å; S187-L216 VanDerWaalsContact N-O 3.11Å; S187-L216 PolarHBondContact OG-O 3.15Å
188G92.9Very high94.6Very high95 Ų9566.5 Ų66.598%0.97938%0.377SS*.THydrogen-bonded Turntrans88-7.3-171.400000115.1P186P186-G188 PolarHBondContact O-N 2.74Å
189G93.6Very high94.5Very high38 Ų3873.8 Ų73.839%0.39241%0.41SS..  trans82.3-173.4177.400000114.1P186 S187P186-G189 WeakPolarHBondContact CG-O 3.33Å; P186-G189 WeakPolarHBondContact O-CA 3.46Å; P186-G189 PolarHBondContact O-N 2.59Å; S187-G189 VanDerWaalsContact C-N 3.34Å
190W94.4Very high94.3Very high39 Ų3973.9 Ų73.915%0.14842%0.423CS..  trans-91.7135.5-178.9-66.798.3000110.5L63 I65 N88 P186 K193 D202 L213 M217L63-W190 HydrophobicContact CD2-CH2 3.91Å; I65-W190 HydrophobicContact CB-CH2 4.07Å; I65-W190 HydrophobicContact CB-CZ2 4.18Å; I65-W190 HydrophobicContact CB-CZ3 4.24Å; I65-W190 HydrophobicContact CG2-CE3 4.33Å; I65-W190 HydrophobicContact CG2-CH2 3.4Å; I65-W190 VanDerWaalsContact CG2-CH2 3.4Å; I65-W190 HydrophobicContact CG2-CZ2 3.97Å; I65-W190 HydrophobicContact CG2-CZ3 3.6Å; N88-W190 WeakPolarHBondContact OD1-CZ2 3.46Å; P186-W190 HydrophobicContact CG-CD2 3.8Å; P186-W190 HydrophobicContact CG-CE3 4.08Å; P186-W190 HydrophobicContact CG-CG 4.17Å; P186-W190 HydrophobicContact CG-CH2 4.35Å; P186-W190 HydrophobicContact CG-CZ2 4.12Å; P186-W190 HydrophobicContact CG-CZ3 4.34Å; W190-K193 HydrophobicContact CB-CD 4.26Å; W190-K193 VanDerWaalsContact CB-CE 3.47Å; W190-K193 HydrophobicContact CB-CG 3.76Å; W190-K193 VanDerWaalsContact CD1-NZ 3.28Å; W190-K193 HydrophobicContact CG-CD 4.2Å; W190-K193 HydrophobicContact CG-CG 4.07Å; W190-D202 HydrophobicContact CE3-CB 3.91Å; W190-D202 HydrophobicContact CZ3-CB 4.35Å; W190-L213 HydrophobicContact CH2-CD1 4.22Å; W190-L213 HydrophobicContact CH2-CD2 4.11Å; W190-L213 HydrophobicContact CZ3-CD1 3.9Å; W190-L213 HydrophobicContact CZ3-CD2 3.94Å; W190-M217 HydrophobicContact CH2-CE 3.98Å; W190-M217 HydrophobicContact CH2-SD 3.87Å; W190-M217 HydrophobicContact CZ2-CE 3.73Å; W190-M217 HydrophobicContact CZ2-SD 4.16Å
191T92.1Very high94.1Very high108 Ų10872.6 Ų72.666%0.66342%0.415SS*.SBendtrans-69.1-63.8-175-50.20000112D202T191-D202 PolarHBondContact N-OD1 3.01Å; T191-D202 PolarHBondContact N-OD2 3.28Å
192K92.8Very high94Very high129 Ų12972.7 Ų72.756%0.56142%0.416SS*.  trans-151.684.9179.7-67.3179.3-173.5170.80110.6K194 S195 D202K192-K194 PolarHBondContact O-N 3.2Å; K192-S195 PolarHBondContact O-N 2.92Å; K192-D202 WeakPolarHBondContact CA-OD2 3.46Å; K192-D202 PolarHBondContact N-OD2 3.46Å; K192-D202 PolarHBondContact O-N 2.77Å
193K92.4Very high94Very high53 Ų5367.2 Ų67.223%0.2340%0.396CS..THydrogen-bonded Turntrans-56.7-23178.7-64.1-173.2178.3-173.40114.3I65 K66 E87 W190 D202I65-K193 HydrophobicContact CD1-CB 4.41Å; I65-K193 HydrophobicContact CD1-CG 4.5Å; I65-K193 WeakPolarHBondContact O-CD 3.45Å; I65-K193 VanDerWaalsContact O-CE 3.22Å; I65-K193 WeakPolarHBondContact O-CE 3.24Å; I65-K193 PolarHBondContact O-NZ 3.19Å; K66-K193 WeakPolarHBondContact CE-O 3.43Å; K66-K193 HydrophobicContact CG-CB 4.36Å; K66-K193 HydrophobicContact CG-CD 4.28Å; K66-K193 PolarHBondContact NZ-O 3Å; E87-K193 IonicContact OE1-NZ 2.93Å; E87-K193 PolarHBondContact OE1-NZ 3.26Å; W190-K193 HydrophobicContact CB-CD 4.26Å; W190-K193 VanDerWaalsContact CB-CE 3.47Å; W190-K193 HydrophobicContact CB-CG 3.76Å; W190-K193 VanDerWaalsContact CD1-NZ 3.28Å; W190-K193 HydrophobicContact CG-CD 4.2Å; W190-K193 HydrophobicContact CG-CG 4.07Å; K193-D202 WeakPolarHBondContact CA-OD2 3.38Å; K193-D202 PolarHBondContact N-OD2 2.96Å
194K91.1Very high93.9Very high176 Ų17666.6 Ų66.677%0.76539%0.393SS*.THydrogen-bonded Turntrans-83.5-9.8-179.2-68.4-178.1-176.6173.40113.5K192 F203K192-K194 PolarHBondContact O-N 3.2Å; K194-F203 WeakPolarHBondContact O-CE1 2.94Å
195S93.7Very high93.9Very high46 Ų4667.2 Ų67.232%0.32239%0.392SS..SBendtrans-116.6151.3-178.3-60.20000111.1K192 G201 D202 F203K192-S195 PolarHBondContact O-N 2.92Å; S195-G201 CarbonylContact O-C 3.57Å; S195-G201 WeakPolarHBondContact O-CA 3.4Å; S195-D202 PolarHBondContact O-N 3.35Å; S195-F203 WeakPolarHBondContact O-CD1 3.24Å; S195-F203 WeakPolarHBondContact O-CE1 3.4Å; S195-F203 PolarHBondContact O-N 2.94Å
196S94Very high93.9Very high18 Ų1861.9 Ų61.913%0.12637%0.367CS..BIsolated β-bridgetrans-75.4151.6177.855.60000110.9S198 H199 G201 F203S196-S198 VanDerWaalsContact C-N 3.3Å; S196-S198 PolarHBondContact O-N 2.94Å; S196-S198 PolarHBondContact OG-OG 2.96Å; S196-H199 CarbonylContact O-C 3.5Å; S196-H199 PolarHBondContact O-N 2.96Å; S196-H199 PolarHBondContact OG-ND1 2.85Å; S196-G201 WeakPolarHBondContact O-CA 2.98Å; S196-G201 PolarHBondContact O-N 3.2Å; S196-F203 CarbonylContact C-O 3.46Å; S196-F203 VanDerWaalsContact CA-O 3.24Å; S196-F203 WeakPolarHBondContact CA-O 3.43Å; S196-F203 VanDerWaalsContact CB-CE2 3.48Å
197F94.4Very high93.9Very high66 Ų6668.2 Ų68.229%0.28940%0.395SS..G310 helixtrans-54.6-42.1176.9-176.3-107.8000113.4H199 G200 G201 F203 D205 R206 A209F197-H199 PolarHBondContact O-N 3.49Å; F197-G200 PolarHBondContact O-N 3.04Å; F197-G201 WeakPolarHBondContact CA-O 3.37Å; F197-G201 WeakPolarHBondContact CD2-O 3.45Å; F197-F203 PolarHBondContact N-O 3.17Å; F197-D205 WeakPolarHBondContact CD1-O 3.35Å; F197-R206 HydrophobicContact CB-CG 4.2Å; F197-R206 HydrophobicContact CD1-CB 4.12Å; F197-R206 HydrophobicContact CD1-CG 3.91Å; F197-R206 HydrophobicContact CD2-CG 3.87Å; F197-R206 HydrophobicContact CE1-CB 4.1Å; F197-R206 HydrophobicContact CE1-CG 4.22Å; F197-R206 HydrophobicContact CE2-CG 4.2Å; F197-R206 VanDerWaalsContact CE2-CZ 3.48Å; F197-R206 HydrophobicContact CG-CB 4.43Å; F197-R206 HydrophobicContact CG-CG 3.71Å; F197-R206 HydrophobicContact CZ-CB 4.41Å; F197-R206 HydrophobicContact CZ-CG 4.36Å; F197-A209 HydrophobicContact CE1-CB 4.18Å; F197-A209 HydrophobicContact CZ-CB 3.76Å
198S91.8Very high93.9Very high99 Ų9969.1 Ų69.169%0.69239%0.389SS*.G310 helixtrans-60-15.7176.169.40000115S196S196-S198 VanDerWaalsContact C-N 3.3Å; S196-S198 PolarHBondContact O-N 2.94Å; S196-S198 PolarHBondContact OG-OG 2.96Å
199H93Very high94.1Very high155 Ų15565.9 Ų65.972%0.71835%0.353SS*.G310 helixtrans-115.425.9177.5-62.194000111.1S196 F197S196-H199 CarbonylContact O-C 3.5Å; S196-H199 PolarHBondContact O-N 2.96Å; S196-H199 PolarHBondContact OG-ND1 2.85Å; F197-H199 PolarHBondContact O-N 3.49Å
200G92.4Very high94.3Very high50 Ų5064.1 Ų64.152%0.51533%0.334SS..THydrogen-bonded Turntrans73.828-179.800000114.7F197F197-G200 PolarHBondContact O-N 3.04Å
201G95.1Very high94.5Very high4 Ų462.5 Ų62.54%0.04133%0.329CS..SBendtrans-110.6-159.3174.700000114S195 S196 F197S195-G201 CarbonylContact O-C 3.57Å; S195-G201 WeakPolarHBondContact O-CA 3.4Å; S196-G201 WeakPolarHBondContact O-CA 2.98Å; S196-G201 PolarHBondContact O-N 3.2Å; F197-G201 WeakPolarHBondContact CA-O 3.37Å; F197-G201 WeakPolarHBondContact CD2-O 3.45Å
202D95.4Very high94.7Very high4 Ų461.1 Ų61.12%0.02132%0.317CS..SBendtrans-110.5-24.7-174.1-59.7-59.6000114.6I65 T111 W190 T191 K192 K193 S195I65-D202 HydrophobicContact CD1-CB 3.87Å; T111-D202 VanDerWaalsContact CB-O 3.28Å; T111-D202 WeakPolarHBondContact CB-O 3.28Å; T111-D202 PolarHBondContact OG1-O 3.09Å; W190-D202 HydrophobicContact CE3-CB 3.91Å; W190-D202 HydrophobicContact CZ3-CB 4.35Å; T191-D202 PolarHBondContact N-OD1 3.01Å; T191-D202 PolarHBondContact N-OD2 3.28Å; K192-D202 WeakPolarHBondContact CA-OD2 3.46Å; K192-D202 PolarHBondContact N-OD2 3.46Å; K192-D202 PolarHBondContact O-N 2.77Å; K193-D202 WeakPolarHBondContact CA-OD2 3.38Å; K193-D202 PolarHBondContact N-OD2 2.96Å; S195-D202 PolarHBondContact O-N 3.35Å
203F95.7Very high94.9Very high22 Ų2255.3 Ų55.310%0.09629%0.292CS..BIsolated β-bridgetrans-90.3155.1-170.881.5-114.3000112.7I65 Q107 R108 K194 S195 S196 F197I65-F203 HydrophobicContact CD1-CB 3.59Å; Q107-F203 HydrophobicContact CG-CD2 3.72Å; Q107-F203 HydrophobicContact CG-CE2 3.9Å; Q107-F203 WeakPolarHBondContact O-CB 3.41Å; Q107-F203 VanDerWaalsContact O-CD2 3.22Å; Q107-F203 WeakPolarHBondContact O-CD2 3.37Å; R108-F203 HydrophobicContact CG-CE2 4.45Å; R108-F203 HydrophobicContact CG-CZ 4.29Å; K194-F203 WeakPolarHBondContact O-CE1 2.94Å; S195-F203 WeakPolarHBondContact O-CD1 3.24Å; S195-F203 WeakPolarHBondContact O-CE1 3.4Å; S195-F203 PolarHBondContact O-N 2.94Å; S196-F203 CarbonylContact C-O 3.46Å; S196-F203 VanDerWaalsContact CA-O 3.24Å; S196-F203 WeakPolarHBondContact CA-O 3.43Å; S196-F203 VanDerWaalsContact CB-CE2 3.48Å; F197-F203 PolarHBondContact N-O 3.17Å
204G95.4Very high95.2Very high1 Ų152.8 Ų52.81%0.0128%0.281CS..EExtended strand (participates in β ladder)trans91.3-163.1177.800000113.8I110 T111 W112I110-G204 PolarHBondContact O-N 3.3Å; T111-G204 VanDerWaalsContact CA-O 3.23Å; T111-G204 WeakPolarHBondContact CA-O 3.4Å; T111-G204 PolarHBondContact OG1-O 2.9Å; W112-G204 PolarHBondContact N-O 2.63Å; W112-G204 VanDerWaalsContact N-O 3.09Å
205D95.5Very high95.5Very high67 Ų6750.3 Ų50.336%0.35827%0.267SS..EExtended strand (participates in β ladder)trans-75.1123-173.5-167.6-2.9000111.8W112 F197 K207W112-D205 HydrophobicContact CZ2-CB 3.94Å; W112-D205 CarbonylContact O-C 3.52Å; W112-D205 WeakPolarHBondContact O-CA 3.45Å; F197-D205 WeakPolarHBondContact CD1-O 3.35Å; D205-K207 PolarHBondContact OD1-N 2.87Å
206R96.2Very high95.6Very high34 Ų3452 Ų5213%0.12827%0.272CS..  trans-101.7-6.7174.5-61.7-179.883.4104.1-2.3112.6T111 W112 F197 E208 A209 I210T111-R206 WeakPolarHBondContact OG1-CD 3.31Å; T111-R206 VanDerWaalsContact OG1-CG 3.25Å; T111-R206 WeakPolarHBondContact OG1-CG 3.35Å; W112-R206 PolarHBondContact O-N 2.76Å; F197-R206 HydrophobicContact CB-CG 4.2Å; F197-R206 HydrophobicContact CD1-CB 4.12Å; F197-R206 HydrophobicContact CD1-CG 3.91Å; F197-R206 HydrophobicContact CD2-CG 3.87Å; F197-R206 HydrophobicContact CE1-CB 4.1Å; F197-R206 HydrophobicContact CE1-CG 4.22Å; F197-R206 HydrophobicContact CE2-CG 4.2Å; F197-R206 VanDerWaalsContact CE2-CZ 3.48Å; F197-R206 HydrophobicContact CG-CB 4.43Å; F197-R206 HydrophobicContact CG-CG 3.71Å; F197-R206 HydrophobicContact CZ-CB 4.41Å; F197-R206 HydrophobicContact CZ-CG 4.36Å; R206-E208 PolarHBondContact O-N 2.64Å; R206-A209 HydrophobicContact CB-CB 4.39Å; R206-A209 PolarHBondContact NE-O 3Å; R206-A209 VanDerWaalsContact O-CB 3.31Å; R206-A209 WeakPolarHBondContact O-CB 3.3Å; R206-A209 PolarHBondContact O-N 3.48Å; R206-I210 HydrophobicContact CB-CB 4.25Å
207K94.6Very high95.7Very high141 Ų14151.1 Ų51.161%0.61327%0.266SS*.G310 helixtrans50.4-128.6-171.4-53.1179.2179.9-177.70109.9G113 H114 D205 A209 I210G113-K207 CarbonylContact C-O 3.54Å; G113-K207 WeakPolarHBondContact CA-O 3.34Å; H114-K207 PolarHBondContact N-O 3.07Å; D205-K207 PolarHBondContact OD1-N 2.87Å; K207-A209 VanDerWaalsContact C-N 3.3Å; K207-A209 PolarHBondContact O-N 3.05Å; K207-I210 WeakPolarHBondContact O-CG2 3.41Å
208E96.1Very high95.6Very high107 Ų10749.3 Ų49.350%0.526%0.26SS..G310 helixtrans-69.2-21.9177.7-56.8-52139.500114.2H114 R206 I210 N211H114-E208 WeakPolarHBondContact CB-OE1 3.37Å; H114-E208 IonicContact CD2-OE1 2.59Å; H114-E208 IonicContact CG-OE1 2.59Å; R206-E208 PolarHBondContact O-N 2.64Å; E208-I210 PolarHBondContact O-N 2.98Å; E208-N211 WeakPolarHBondContact O-CB 3.21Å; E208-N211 PolarHBondContact O-N 3.45Å; E208-N211 PolarHBondContact O-ND2 2.88Å
209A97.1Very high95.8Very high27 Ų2746.9 Ų46.922%0.22324%0.239CC..G310 helixtrans-70.61.3179.600000113.2F197 R206 K207 N211F197-A209 HydrophobicContact CE1-CB 4.18Å; F197-A209 HydrophobicContact CZ-CB 3.76Å; R206-A209 HydrophobicContact CB-CB 4.39Å; R206-A209 PolarHBondContact NE-O 3Å; R206-A209 VanDerWaalsContact O-CB 3.31Å; R206-A209 WeakPolarHBondContact O-CB 3.3Å; R206-A209 PolarHBondContact O-N 3.48Å; K207-A209 VanDerWaalsContact C-N 3.3Å; K207-A209 PolarHBondContact O-N 3.05Å; A209-N211 VanDerWaalsContact C-N 3.27Å
210I97.7Very high96Very high0 Ų041.2 Ų41.20%021%0.214CC..Hα-helixtrans-65.9-33.2166.3-164.865.7000111T111 H114 R206 K207 E208 D212 L213 L214T111-I210 HydrophobicContact CG2-CD1 4.14Å; H114-I210 VanDerWaalsContact O-CG2 3.25Å; H114-I210 WeakPolarHBondContact O-CG2 3.48Å; R206-I210 HydrophobicContact CB-CB 4.25Å; K207-I210 WeakPolarHBondContact O-CG2 3.41Å; E208-I210 PolarHBondContact O-N 2.98Å; I210-D212 VanDerWaalsContact C-N 3.31Å; I210-D212 PolarHBondContact O-N 3.4Å; I210-L213 HydrophobicContact CD1-CD2 4.05Å; I210-L213 WeakPolarHBondContact O-CB 3.49Å; I210-L213 PolarHBondContact O-N 3.31Å; I210-L213 VanDerWaalsContact O-N 3.12Å; I210-L214 HydrophobicContact CG1-CD1 4.31Å; I210-L214 HydrophobicContact CG1-CG 4.34Å; I210-L214 WeakPolarHBondContact O-CG 3.43Å; I210-L214 PolarHBondContact O-N 3.42Å
211N98.1Very high96.2Very high5 Ų540.7 Ų40.73%0.02720%0.197CC..Hα-helixtrans-63.9-38.8-176.7-64.2-63.7000111.2H114 P115 N116 S119 E208 A209 L213 L214 R215H114-N211 PolarHBondContact O-ND2 3.47Å; P115-N211 VanDerWaalsContact CA-OD1 3.29Å; P115-N211 WeakPolarHBondContact CA-OD1 3.44Å; N116-N211 PolarHBondContact N-OD1 3.33Å; S119-N211 WeakPolarHBondContact CB-OD1 3.44Å; S119-N211 PolarHBondContact OG-OD1 2.86Å; E208-N211 WeakPolarHBondContact O-CB 3.21Å; E208-N211 PolarHBondContact O-N 3.45Å; E208-N211 PolarHBondContact O-ND2 2.88Å; A209-N211 VanDerWaalsContact C-N 3.27Å; N211-L213 VanDerWaalsContact C-N 3.33Å; N211-L213 PolarHBondContact O-N 3.39Å; N211-L214 PolarHBondContact O-N 3.24Å; N211-R215 WeakPolarHBondContact O-CG 3.23Å; N211-R215 PolarHBondContact O-N 3.02Å
212D97.1Very high96.2Very high79 Ų7942.8 Ų42.842%0.42221%0.206SC..Hα-helixtrans-63.3-41.1175.3-53.1-24.5000111.3I210 R215 L216I210-D212 VanDerWaalsContact C-N 3.31Å; I210-D212 PolarHBondContact O-N 3.4Å; D212-R215 PolarHBondContact O-N 2.81Å; D212-R215 IonicContact OD1-CZ 2.64Å; D212-R215 VanDerWaalsContact OD1-CZ 3.27Å; D212-R215 IonicContact OD1-NH1 3.63Å; D212-R215 PolarHBondContact OD1-NH1 2.85Å; D212-R215 IonicContact OD1-NH2 3.68Å; D212-R215 PolarHBondContact OD1-NH2 3.34Å; D212-L216 WeakPolarHBondContact O-CG 3.46Å
213L97.1Very high96.3Very high7 Ų745.3 Ų45.34%0.03722%0.218CC..Hα-helixtrans-64.4-42.8175.4178.565.4000111.4L63 T111 P186 W190 I210 N211 R215 L216 M217L63-L213 HydrophobicContact CD2-CD2 3.82Å; L63-L213 HydrophobicContact CD2-CG 4.49Å; T111-L213 HydrophobicContact CG2-CD2 3.94Å; P186-L213 HydrophobicContact CB-CD1 3.92Å; P186-L213 HydrophobicContact CG-CD1 4.3Å; W190-L213 HydrophobicContact CH2-CD1 4.22Å; W190-L213 HydrophobicContact CH2-CD2 4.11Å; W190-L213 HydrophobicContact CZ3-CD1 3.9Å; W190-L213 HydrophobicContact CZ3-CD2 3.94Å; I210-L213 HydrophobicContact CD1-CD2 4.05Å; I210-L213 WeakPolarHBondContact O-CB 3.49Å; I210-L213 PolarHBondContact O-N 3.31Å; I210-L213 VanDerWaalsContact O-N 3.12Å; N211-L213 VanDerWaalsContact C-N 3.33Å; N211-L213 PolarHBondContact O-N 3.39Å; L213-R215 VanDerWaalsContact C-N 3.34Å; L213-R215 PolarHBondContact O-N 2.89Å; L213-L216 PolarHBondContact O-N 2.84Å; L213-L216 VanDerWaalsContact O-N 3.16Å; L213-M217 HydrophobicContact CD1-CG 4.38Å; L213-M217 HydrophobicContact CD1-SD 3.74Å; L213-M217 HydrophobicContact CD2-SD 4.28Å; L213-M217 HydrophobicContact CG-SD 3.74Å; L213-M217 WeakPolarHBondContact O-CG 3.36Å; L213-M217 PolarHBondContact O-N 3.47Å
214L97.7Very high96.3Very high1 Ų146.8 Ų46.81%0.00523%0.226CC..Hα-helixtrans-63.2-40179.3-68.7174.6000111.8F61 L123 L183 I210 N211 L216 M217 V218F61-L214 HydrophobicContact CD1-CD1 4.17Å; F61-L214 HydrophobicContact CD1-CD2 3.71Å; F61-L214 HydrophobicContact CD1-CG 4.45Å; F61-L214 HydrophobicContact CE1-CD2 3.44Å; F61-L214 VanDerWaalsContact CE1-CD2 3.44Å; F61-L214 HydrophobicContact CG-CD1 4.44Å; F61-L214 HydrophobicContact CZ-CD2 4.15Å; L123-L214 HydrophobicContact CD1-CD1 3.98Å; L123-L214 HydrophobicContact CD1-CD2 4.34Å; L123-L214 HydrophobicContact CD2-CD2 4.47Å; L183-L214 HydrophobicContact CD1-CD2 3.92Å; I210-L214 HydrophobicContact CG1-CD1 4.31Å; I210-L214 HydrophobicContact CG1-CG 4.34Å; I210-L214 WeakPolarHBondContact O-CG 3.43Å; I210-L214 PolarHBondContact O-N 3.42Å; N211-L214 PolarHBondContact O-N 3.24Å; L214-L216 PolarHBondContact O-N 2.89Å; L214-L216 VanDerWaalsContact O-N 3.15Å; L214-M217 PolarHBondContact O-N 3.34Å; L214-V218 HydrophobicContact CB-CG2 4.32Å; L214-V218 WeakPolarHBondContact O-CB 3.16Å; L214-V218 VanDerWaalsContact O-CG2 3.3Å; L214-V218 WeakPolarHBondContact O-CG2 3.34Å; L214-V218 PolarHBondContact O-N 3.45Å
215R96.7Very high96.4Very high124 Ų12450.1 Ų50.147%0.46824%0.241SC..Hα-helixtrans-59.4-26.5175.5-70.8-167.9-58.4-101.58.8113.5N211 D212 L213N211-R215 WeakPolarHBondContact O-CG 3.23Å; N211-R215 PolarHBondContact O-N 3.02Å; D212-R215 PolarHBondContact O-N 2.81Å; D212-R215 IonicContact OD1-CZ 2.64Å; D212-R215 VanDerWaalsContact OD1-CZ 3.27Å; D212-R215 IonicContact OD1-NH1 3.63Å; D212-R215 PolarHBondContact OD1-NH1 2.85Å; D212-R215 IonicContact OD1-NH2 3.68Å; D212-R215 PolarHBondContact OD1-NH2 3.34Å; L213-R215 VanDerWaalsContact C-N 3.34Å; L213-R215 PolarHBondContact O-N 2.89Å
216L96.7Very high96.5Very high81 Ų8148.8 Ų48.842%0.42423%0.232SC..THydrogen-bonded Turntrans-85.9-8.9176.9-59174.1000113.5P186 S187 D212 L213 L214P186-L216 WeakPolarHBondContact CA-O 3.35Å; P186-L216 HydrophobicContact CB-CB 4.16Å; S187-L216 PolarHBondContact N-O 2.76Å; S187-L216 VanDerWaalsContact N-O 3.11Å; S187-L216 PolarHBondContact OG-O 3.15Å; D212-L216 WeakPolarHBondContact O-CG 3.46Å; L213-L216 PolarHBondContact O-N 2.84Å; L213-L216 VanDerWaalsContact O-N 3.16Å; L214-L216 PolarHBondContact O-N 2.89Å; L214-L216 VanDerWaalsContact O-N 3.15Å
217M97Very high96.5Very high0 Ų050 Ų500%024%0.241CC..THydrogen-bonded Turntrans-124.5-21.4-169.3-68.2-17576.200114.5L63 N88 L183 S184 P186 W190 L213 L214L63-M217 HydrophobicContact CD1-CE 4.19Å; L63-M217 HydrophobicContact CD2-CE 3.78Å; L63-M217 HydrophobicContact CD2-SD 3.57Å; L63-M217 VanDerWaalsContact CD2-SD 3.57Å; N88-M217 HydrophobicContact CB-CE 4.14Å; L183-M217 HydrophobicContact CB-CB 4.18Å; L183-M217 HydrophobicContact CB-CE 3.97Å; L183-M217 HydrophobicContact CD1-CB 4.25Å; L183-M217 HydrophobicContact CD1-CE 4.34Å; S184-M217 PolarHBondContact N-O 3.19Å; S184-M217 VanDerWaalsContact N-O 3.16Å; S184-M217 WeakPolarHBondContact O-CE 3.46Å; S184-M217 WeakPolarHBondContact OG-CA 3.26Å; S184-M217 PolarHBondContact OG-O 3.01Å; P186-M217 HydrophobicContact CB-CG 3.75Å; P186-M217 HydrophobicContact CB-SD 4.26Å; P186-M217 HydrophobicContact CG-CG 4.44Å; P186-M217 HydrophobicContact CG-SD 4.45Å; W190-M217 HydrophobicContact CH2-CE 3.98Å; W190-M217 HydrophobicContact CH2-SD 3.87Å; W190-M217 HydrophobicContact CZ2-CE 3.73Å; W190-M217 HydrophobicContact CZ2-SD 4.16Å; L213-M217 HydrophobicContact CD1-CG 4.38Å; L213-M217 HydrophobicContact CD1-SD 3.74Å; L213-M217 HydrophobicContact CD2-SD 4.28Å; L213-M217 HydrophobicContact CG-SD 3.74Å; L213-M217 WeakPolarHBondContact O-CG 3.36Å; L213-M217 PolarHBondContact O-N 3.47Å; L214-M217 PolarHBondContact O-N 3.34Å
218V92.3Very high96.7Very high28 Ų2841.7 Ų41.717%0.1721%0.207CC..  trans-830178.9175.40000110.9E122 L123 K126 R127 L183 L214E122-V218 HydrophobicContact CB-CG1 4.16Å; L123-V218 HydrophobicContact CD2-CG2 3.48Å; L123-V218 VanDerWaalsContact CD2-CG2 3.48Å; L123-V218 HydrophobicContact CG-CG2 3.87Å; K126-V218 HydrophobicContact CB-CG1 4.14Å; K126-V218 HydrophobicContact CD-CG1 3.82Å; R127-V218 HydrophobicContact CG-CG1 4.25Å; R127-V218 PolarHBondContact NE-OXT 2.94Å; R127-V218 PolarHBondContact NH2-OXT 3.18Å; L183-V218 HydrophobicContact CD2-CG2 4.16Å; L214-V218 HydrophobicContact CB-CG2 4.32Å; L214-V218 WeakPolarHBondContact O-CB 3.16Å; L214-V218 VanDerWaalsContact O-CG2 3.3Å; L214-V218 WeakPolarHBondContact O-CG2 3.34Å; L214-V218 PolarHBondContact O-N 3.45Å

Retrieved 218 of 218 residues in 787.7 ms (Link to these results)

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