A0A096N8L3_PAPAN Loading...

26S proteasome non-ATPase regulatory subunit 9

Acts as a chaperone during the assembly of the 26S proteasome, specifically of the base subcomplex of the PA700/19S regulatory complex (RC). During the base subcomplex assembly is part of an intermediate PSMD9:PSMC6:PSMC3 module, also known as modulator trimer complex; PSMD9 is released during the further base assembly process.

AlphaFold DB (G7N617), UniProt , Accession A0A096N8L3, Species PAPAN (Papio anubis, Olive baboon), Gene PSMD9, Length 223 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
1M42Very low42Very low239 Ų239150.4 Ų150.4100%1.17784%0.84SS**  0112.60-70.8-173.7-173.400107.2
2S49.3Very low41.6Very low122 Ų122146.7 Ų146.785%0.85383%0.832SS**  trans171.4100.5146.1-85.20000104.9
3E42.2Very low41.9Very low182 Ų182144.5 Ų144.585%0.8583%0.831SS**  trans-64.4146.5-171.1-70.1127.1128.200113.9
4E51.6Low41.9Very low184 Ų184147.1 Ų147.186%0.8683%0.833SS**  trans-22.8128.5139.7-167177.1166.100115.4
5E43.3Very low42.5Very low191 Ų191144 Ų14489%0.89383%0.832SS**  trans-156.6119.8147.2-113.8-178.9150.600113.5
6A40.7Very low43.4Very low86 Ų86138.4 Ų138.471%0.71182%0.816SS**  trans36.3111.6149.300000120.5
7R39.1Very low44.9Very low218 Ų218133.7 Ų133.782%0.82380%0.796SS**  52.8116.680.5-70-171.2-179.7-179.82.3116
8Q45.1Very low47Very low173 Ų173128.2 Ų128.281%0.80876%0.763SS**  trans66.6105.9136.7-67.4163.8-900118.2
9S38.8Very low49.1Very low122 Ų122124.9 Ų124.985%0.85375%0.745SS**  -122.490.4128.570.20000108.5G11S9-G11 PolarHBondContact O-N 3.27Å
10G34.6Very low51.1Low62 Ų62123.2 Ų123.264%0.63974%0.735SS**  trans-57.5122.9159.500000107.1S12G10-S12 PolarHBondContact O-N 3.45Å
11G35.3Very low53Low75 Ų75120.9 Ų120.977%0.77373%0.725SS**  trans-59.790.6164.200000107.6S9 S13S9-G11 PolarHBondContact O-N 3.27Å; G11-S13 VanDerWaalsContact C-N 3.3Å; G11-S13 PolarHBondContact O-N 3.24Å
12S37.4Very low55.3Low106 Ų106112.6 Ų112.674%0.74169%0.685SS**  trans-62.7103.2160.839.80000105.2G10 Q14G10-S12 PolarHBondContact O-N 3.45Å; S12-Q14 PolarHBondContact O-N 3.12Å
13S44.8Very low57.3Low118 Ų118107.3 Ų107.383%0.82565%0.648SS**  trans-50.497.3161.1-54.60000106.6G11 A15G11-S13 VanDerWaalsContact C-N 3.3Å; G11-S13 PolarHBondContact O-N 3.24Å; S13-A15 PolarHBondContact O-N 2.96Å
14Q41.7Very low59.7Low182 Ų182104.6 Ų104.685%0.8564%0.635SS**  trans-58.6102.6160.7-86.9-175.5-24.400104.5S12 G16S12-Q14 PolarHBondContact O-N 3.12Å; Q14-G16 PolarHBondContact O-N 3.03Å
15A51.1Low61.8Low100 Ų100102.1 Ų102.183%0.82662%0.623SS**  trans-60.68315200000105.2S13 A17S13-A15 PolarHBondContact O-N 2.96Å; A15-A17 PolarHBondContact O-N 3.23Å
16G58.1Low64.2Low55 Ų5594.6 Ų94.657%0.56759%0.589SS**PPolyproline II helixtrans-56.5125.5176.500000106.8Q14 V18Q14-G16 PolarHBondContact O-N 3.03Å; G16-V18 PolarHBondContact O-N 3.21Å
17A68.1Low66.7Low58 Ų5894.7 Ų94.748%0.47958%0.576SS.*PPolyproline II helixtrans-55.4117.9175.200000107.7A15 T19A15-A17 PolarHBondContact O-N 3.23Å; A17-T19 WeakPolarHBondContact O-CG2 3.37Å; A17-T19 PolarHBondContact O-N 2.63Å
18V81.9Confident69.4Low35 Ų3593.4 Ų93.421%0.21257%0.571CS.*PPolyproline II helixtrans-54123.8179176.40000108.4G16 D22 V23 A96 L100G16-V18 PolarHBondContact O-N 3.21Å; V18-D22 HydrophobicContact CG1-CB 4.32Å; V18-V23 HydrophobicContact CG1-CG2 4.14Å; V18-A96 HydrophobicContact CG1-CB 3.68Å; V18-L100 WeakPolarHBondContact O-CD2 3.5Å
19T87.6Confident71.8Confident66 Ų6692 Ų9241%0.40556%0.558SS.*PPolyproline II helixtrans-98164.1179.569.30000110.8A17 S21 D22 V23A17-T19 WeakPolarHBondContact O-CG2 3.37Å; A17-T19 PolarHBondContact O-N 2.63Å; T19-S21 PolarHBondContact O-N 3.45Å; T19-S21 PolarHBondContact OG1-N 3.14Å; T19-D22 WeakPolarHBondContact CB-OD2 3.17Å; T19-D22 PolarHBondContact N-OD2 3.45Å; T19-D22 PolarHBondContact O-N 2.89Å; T19-D22 VanDerWaalsContact O-N 3.13Å; T19-D22 PolarHBondContact OG1-N 3.22Å; T19-D22 PolarHBondContact OG1-OD2 2.98Å; T19-V23 PolarHBondContact O-N 3.07Å
20V88.6Confident74.5Confident90 Ų9088.6 Ų88.655%0.54553%0.528SS..Hα-helixtrans-59.2-31.8173.5-1800000111.3V23 Q24 L100V20-V23 PolarHBondContact O-N 3.41Å; V20-Q24 WeakPolarHBondContact O-CG 3.43Å; V20-Q24 PolarHBondContact O-N 3.29Å; V20-Q24 VanDerWaalsContact O-N 3.09Å; V20-L100 HydrophobicContact CG2-CD1 4.28Å; V20-L100 HydrophobicContact CG2-CD2 4.46Å
21S91.1Very high77.5Confident75 Ų7591.5 Ų91.552%0.52453%0.525SS..Hα-helixtrans-64-41.5176.3-170.50000111.8T19 V23 Q24 E25T19-S21 PolarHBondContact O-N 3.45Å; T19-S21 PolarHBondContact OG1-N 3.14Å; S21-V23 VanDerWaalsContact C-N 3.31Å; S21-V23 PolarHBondContact O-N 3.09Å; S21-Q24 PolarHBondContact O-N 3.27Å; S21-E25 PolarHBondContact O-N 3.02Å
22D90.3Very high80.4Confident65 Ų6593.3 Ų93.335%0.34851%0.513SS..Hα-helixtrans-64.8-38.5-179.9-53.9-41.9000110.8V18 T19 E25 L26V18-D22 HydrophobicContact CG1-CB 4.32Å; T19-D22 WeakPolarHBondContact CB-OD2 3.17Å; T19-D22 PolarHBondContact N-OD2 3.45Å; T19-D22 PolarHBondContact O-N 2.89Å; T19-D22 VanDerWaalsContact O-N 3.13Å; T19-D22 PolarHBondContact OG1-N 3.22Å; T19-D22 PolarHBondContact OG1-OD2 2.98Å; D22-E25 PolarHBondContact O-N 3.1Å; D22-L26 WeakPolarHBondContact O-CG 3.27Å; D22-L26 PolarHBondContact O-N 3.43Å
23V91.9Very high83.2Confident11 Ų1188.8 Ų88.87%0.06748%0.481CS..Hα-helixtrans-65-42.3174.6178.30000111.5V18 T19 V20 S21 E25 L26 M27 A96 L100V18-V23 HydrophobicContact CG1-CG2 4.14Å; T19-V23 PolarHBondContact O-N 3.07Å; V20-V23 PolarHBondContact O-N 3.41Å; S21-V23 VanDerWaalsContact C-N 3.31Å; S21-V23 PolarHBondContact O-N 3.09Å; V23-E25 VanDerWaalsContact C-N 3.3Å; V23-E25 PolarHBondContact O-N 2.81Å; V23-L26 PolarHBondContact O-N 3.24Å; V23-M27 HydrophobicContact CG1-CE 4.15Å; V23-M27 WeakPolarHBondContact O-CG 3.33Å; V23-M27 PolarHBondContact O-N 2.8Å; V23-A96 HydrophobicContact CG2-CB 3.78Å; V23-L100 HydrophobicContact CG2-CD1 3.64Å
24Q93.3Very high85.6Confident125 Ų12586.4 Ų86.458%0.58446%0.457SS*.Hα-helixtrans-62.8-38.6176.6-72.8176.5-1.300111.8V20 S21 M27 R28V20-Q24 WeakPolarHBondContact O-CG 3.43Å; V20-Q24 PolarHBondContact O-N 3.29Å; V20-Q24 VanDerWaalsContact O-N 3.09Å; S21-Q24 PolarHBondContact O-N 3.27Å; Q24-M27 PolarHBondContact O-N 2.97Å; Q24-R28 PolarHBondContact O-N 3.22Å
25E94.2Very high88.3Confident132 Ų13280.5 Ų80.562%0.61744%0.439SS*.Hα-helixtrans-65.3-43.5175.6-170.9174.9179.400111.8S21 D22 V23 M27 R28 R29S21-E25 PolarHBondContact O-N 3.02Å; D22-E25 PolarHBondContact O-N 3.1Å; V23-E25 VanDerWaalsContact C-N 3.3Å; V23-E25 PolarHBondContact O-N 2.81Å; E25-M27 VanDerWaalsContact C-N 3.32Å; E25-M27 PolarHBondContact O-N 3.43Å; E25-R28 PolarHBondContact O-N 3.24Å; E25-R29 WeakPolarHBondContact O-CB 3.41Å; E25-R29 PolarHBondContact O-N 3.35Å
26L94Very high90.4Very high32 Ų3279.8 Ų79.817%0.16842%0.418CS..Hα-helixtrans-61.6-39.7174.6-70.8171.6000112.2D22 V23 R29 K30 V89 Q92 V93 A96D22-L26 WeakPolarHBondContact O-CG 3.27Å; D22-L26 PolarHBondContact O-N 3.43Å; V23-L26 PolarHBondContact O-N 3.24Å; L26-R29 PolarHBondContact O-N 3.28Å; L26-K30 PolarHBondContact O-N 2.81Å; L26-V89 WeakPolarHBondContact O-CG1 3.35Å; L26-Q92 HydrophobicContact CD1-CB 4.15Å; L26-Q92 HydrophobicContact CD2-CB 4.21Å; L26-V93 HydrophobicContact CB-CG2 3.6Å; L26-V93 HydrophobicContact CD1-CG2 4.41Å; L26-A96 HydrophobicContact CD1-CB 4.19Å
27M93.7Very high92.2Very high89 Ų8978.2 Ų78.244%0.43840%0.397SS..Hα-helixtrans-64.3-43.1174.6-74.4-174.1172.800112.1V23 Q24 E25 R29 K30 E31 V93V23-M27 HydrophobicContact CG1-CE 4.15Å; V23-M27 WeakPolarHBondContact O-CG 3.33Å; V23-M27 PolarHBondContact O-N 2.8Å; Q24-M27 PolarHBondContact O-N 2.97Å; E25-M27 VanDerWaalsContact C-N 3.32Å; E25-M27 PolarHBondContact O-N 3.43Å; M27-R29 VanDerWaalsContact C-N 3.33Å; M27-R29 PolarHBondContact O-N 2.95Å; M27-K30 WeakPolarHBondContact O-CB 3.45Å; M27-K30 PolarHBondContact O-N 2.81Å; M27-E31 WeakPolarHBondContact O-CG 3.42Å; M27-E31 PolarHBondContact O-N 2.93Å; M27-V93 HydrophobicContact CE-CG1 4.34Å
28R96.4Very high93.5Very high190 Ų19082 Ų8272%0.71740%0.403SS*.Hα-helixtrans-61.6-42.8175.4-176-178.2175.2-173.3-1.9111.6Q24 E25 K30 E31 E32Q24-R28 PolarHBondContact O-N 3.22Å; E25-R28 PolarHBondContact O-N 3.24Å; R28-K30 VanDerWaalsContact C-N 3.33Å; R28-K30 PolarHBondContact O-N 3.38Å; R28-E31 PolarHBondContact O-N 3.37Å; R28-E32 PolarHBondContact O-N 2.63Å
29R95.1Very high94.2Very high144 Ų14482.8 Ų82.854%0.54341%0.412SS..Hα-helixtrans-63.5-38.7176.7-174.2173179.6168-0.3111.9E25 L26 M27 E32 I33 V89E25-R29 WeakPolarHBondContact O-CB 3.41Å; E25-R29 PolarHBondContact O-N 3.35Å; L26-R29 PolarHBondContact O-N 3.28Å; M27-R29 VanDerWaalsContact C-N 3.33Å; M27-R29 PolarHBondContact O-N 2.95Å; R29-E32 PolarHBondContact O-N 3.41Å; R29-I33 HydrophobicContact CG-CD1 4.17Å; R29-I33 VanDerWaalsContact O-CG1 3.31Å; R29-I33 WeakPolarHBondContact O-CG1 3.46Å; R29-I33 PolarHBondContact O-N 2.75Å; R29-V89 HydrophobicContact CG-CG2 4.43Å
30K95.9Very high94.5Very high50 Ų5081 Ų8122%0.21740%0.4CS..Hα-helixtrans-57.8-49.5172.3172.3-164.1172.8-78.30111L26 M27 R28 E32 I33 E34 V89 M90L26-K30 PolarHBondContact O-N 2.81Å; M27-K30 WeakPolarHBondContact O-CB 3.45Å; M27-K30 PolarHBondContact O-N 2.81Å; R28-K30 VanDerWaalsContact C-N 3.33Å; R28-K30 PolarHBondContact O-N 3.38Å; K30-E32 VanDerWaalsContact C-N 3.32Å; K30-E32 PolarHBondContact O-N 2.85Å; K30-I33 PolarHBondContact O-N 2.83Å; K30-E34 WeakPolarHBondContact CE-OE1 3.25Å; K30-E34 IonicContact NZ-OE1 2.83Å; K30-E34 PolarHBondContact NZ-OE1 2.97Å; K30-E34 IonicContact NZ-OE2 2.66Å; K30-E34 PolarHBondContact NZ-OE2 2.82Å; K30-E34 WeakPolarHBondContact O-CG 3.45Å; K30-E34 PolarHBondContact O-N 2.88Å; K30-V89 HydrophobicContact CB-CG1 4.01Å; K30-M90 HydrophobicContact CD-SD 3.61Å; K30-M90 WeakPolarHBondContact CE-SD 3.37Å; K30-M90 HydrophobicContact CG-SD 4.34Å
31E96.3Very high94.8Very high124 Ų12480.5 Ų80.558%0.57939%0.389SS*.Hα-helixtrans-61.9-39.2-179.9-70.9174.5-175.600112.2M27 R28 E34 A35M27-E31 WeakPolarHBondContact O-CG 3.42Å; M27-E31 PolarHBondContact O-N 2.93Å; R28-E31 PolarHBondContact O-N 3.37Å; E31-E34 PolarHBondContact O-N 2.79Å; E31-A35 WeakPolarHBondContact O-CB 3.37Å; E31-A35 PolarHBondContact O-N 3.27Å
32E96.7Very high94.9Very high112 Ų11280.7 Ų80.752%0.52339%0.385SS..Hα-helixtrans-63.6-44.6175.5-176.4172.1-166.300111.9R28 R29 K30 E34 A35 Q36R28-E32 PolarHBondContact O-N 2.63Å; R29-E32 PolarHBondContact O-N 3.41Å; K30-E32 VanDerWaalsContact C-N 3.32Å; K30-E32 PolarHBondContact O-N 2.85Å; E32-E34 VanDerWaalsContact C-N 3.35Å; E32-E34 PolarHBondContact O-N 3.06Å; E32-A35 PolarHBondContact O-N 2.97Å; E32-Q36 WeakPolarHBondContact O-CG 3.01Å; E32-Q36 PolarHBondContact O-N 3.43Å
33I96.6Very high94.9Very high12 Ų1280.1 Ų80.16%0.06238%0.383CS..Hα-helixtrans-62.6-43.2175.5-67.2166.9000110.4R29 K30 A35 Q36 I37 L82 D85 H86 V89R29-I33 HydrophobicContact CG-CD1 4.17Å; R29-I33 VanDerWaalsContact O-CG1 3.31Å; R29-I33 WeakPolarHBondContact O-CG1 3.46Å; R29-I33 PolarHBondContact O-N 2.75Å; K30-I33 PolarHBondContact O-N 2.83Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 3.41Å; I33-Q36 PolarHBondContact O-N 2.83Å; I33-I37 HydrophobicContact CG2-CD1 3.84Å; I33-I37 HydrophobicContact CG2-CG1 4.33Å; I33-I37 VanDerWaalsContact O-CG1 3.28Å; I33-I37 WeakPolarHBondContact O-CG1 3.18Å; I33-I37 PolarHBondContact O-N 3.28Å; I33-L82 HydrophobicContact CG2-CB 4.18Å; I33-L82 HydrophobicContact CG2-CD2 4.25Å; I33-L82 WeakPolarHBondContact CG2-O 3.29Å; I33-D85 HydrophobicContact CD1-CB 4.25Å; I33-H86 HydrophobicContact CG2-CB 3.79Å; I33-V89 HydrophobicContact CD1-CG2 3.84Å
34E95.6Very high94.8Very high68 Ų6879.8 Ų79.832%0.31838%0.381SS..Hα-helixtrans-61.9-40.2176.7-73.4172.7163.600112K30 E31 E32 I37 K38 H86K30-E34 WeakPolarHBondContact CE-OE1 3.25Å; K30-E34 IonicContact NZ-OE1 2.83Å; K30-E34 PolarHBondContact NZ-OE1 2.97Å; K30-E34 IonicContact NZ-OE2 2.66Å; K30-E34 PolarHBondContact NZ-OE2 2.82Å; K30-E34 WeakPolarHBondContact O-CG 3.45Å; K30-E34 PolarHBondContact O-N 2.88Å; E31-E34 PolarHBondContact O-N 2.79Å; E32-E34 VanDerWaalsContact C-N 3.35Å; E32-E34 PolarHBondContact O-N 3.06Å; E34-I37 PolarHBondContact O-N 2.75Å; E34-K38 WeakPolarHBondContact O-CB 3.46Å; E34-K38 PolarHBondContact O-N 3.19Å; E34-H86 WeakPolarHBondContact CG-NE2 2.84Å; E34-H86 IonicContact OE1-CD2 3.44Å; E34-H86 IonicContact OE1-CE1 3.7Å; E34-H86 IonicContact OE1-NE2 3.56Å; E34-H86 PolarHBondContact OE1-NE2 3.11Å
35A97.1Very high94.6Very high58 Ų5881.3 Ų81.348%0.47939%0.388SS..Hα-helixtrans-64.1-41.817500000111.9E31 E32 I33 K38 A39E31-A35 WeakPolarHBondContact O-CB 3.37Å; E31-A35 PolarHBondContact O-N 3.27Å; E32-A35 PolarHBondContact O-N 2.97Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 3.41Å; A35-K38 PolarHBondContact O-N 2.95Å; A35-A39 WeakPolarHBondContact O-CB 3.29Å; A35-A39 PolarHBondContact O-N 2.79Å
36Q95.9Very high94.3Very high84 Ų8478.8 Ų78.839%0.39339%0.385SS..Hα-helixtrans-66.3-41.7175.6-69.8179.120.800112E32 I33 K38 A39 N40 L82E32-Q36 WeakPolarHBondContact O-CG 3.01Å; E32-Q36 PolarHBondContact O-N 3.43Å; I33-Q36 PolarHBondContact O-N 2.83Å; Q36-K38 VanDerWaalsContact C-N 3.33Å; Q36-K38 PolarHBondContact O-N 3.47Å; Q36-A39 PolarHBondContact O-N 3Å; Q36-N40 PolarHBondContact O-N 3.19Å; Q36-N40 PolarHBondContact O-ND2 3.41Å; Q36-L82 HydrophobicContact CB-CD1 3.72Å; Q36-L82 HydrophobicContact CB-CD2 4.45Å
37I95.8Very high93.8Very high22 Ų2279 Ų7911%0.11339%0.385CS..Hα-helixtrans-57.9-49.7174.5-71.9168.2000109.5I33 E34 A39 N40 Y41 L82 Q83 H86I33-I37 HydrophobicContact CG2-CD1 3.84Å; I33-I37 HydrophobicContact CG2-CG1 4.33Å; I33-I37 VanDerWaalsContact O-CG1 3.28Å; I33-I37 WeakPolarHBondContact O-CG1 3.18Å; I33-I37 PolarHBondContact O-N 3.28Å; E34-I37 PolarHBondContact O-N 2.75Å; I37-A39 PolarHBondContact O-N 3.35Å; I37-N40 PolarHBondContact O-N 2.86Å; I37-Y41 HydrophobicContact CG2-CD2 3.59Å; I37-Y41 HydrophobicContact CG2-CE2 3.53Å; I37-Y41 VanDerWaalsContact O-CD2 3.32Å; I37-Y41 WeakPolarHBondContact O-CD2 3.25Å; I37-Y41 PolarHBondContact O-N 3.16Å; I37-L82 HydrophobicContact CD1-CB 4.03Å; I37-L82 HydrophobicContact CG1-CB 3.51Å; I37-L82 HydrophobicContact CG1-CD1 4.17Å; I37-L82 HydrophobicContact CG1-CG 4.47Å; I37-Q83 HydrophobicContact CD1-CG 4.11Å; I37-H86 HydrophobicContact CD1-CB 4.27Å
38K96.2Very high92.8Very high138 Ų13882.4 Ų82.460%0.640%0.398SS*.Hα-helixtrans-57.6-47.6178.4-174.2-177.1176.1-1730111.8E34 A35 Q36 N40 Y41 D42E34-K38 WeakPolarHBondContact O-CB 3.46Å; E34-K38 PolarHBondContact O-N 3.19Å; A35-K38 PolarHBondContact O-N 2.95Å; Q36-K38 VanDerWaalsContact C-N 3.33Å; Q36-K38 PolarHBondContact O-N 3.47Å; K38-N40 VanDerWaalsContact C-N 3.29Å; K38-N40 PolarHBondContact O-N 3.04Å; K38-Y41 WeakPolarHBondContact O-CA 3.3Å; K38-Y41 WeakPolarHBondContact O-CB 3.28Å; K38-Y41 PolarHBondContact O-N 3.08Å; K38-D42 VanDerWaalsContact O-CG 3.26Å; K38-D42 PolarHBondContact O-N 2.85Å
39A95.9Very high91.7Very high51 Ų5176.9 Ų76.942%0.42140%0.4SS..Hα-helixtrans-59.3-38.9178.200000112.7A35 Q36 I37 D42 V43A35-A39 WeakPolarHBondContact O-CB 3.29Å; A35-A39 PolarHBondContact O-N 2.79Å; Q36-A39 PolarHBondContact O-N 3Å; I37-A39 PolarHBondContact O-N 3.35Å; A39-D42 PolarHBondContact O-N 2.75Å; A39-V43 WeakPolarHBondContact O-CG2 3.46Å; A39-V43 PolarHBondContact O-N 3.38Å; A39-V43 VanDerWaalsContact O-N 3.13Å
40N94.3Very high91Very high28 Ų2870.2 Ų70.215%0.1538%0.375CS..Hα-helixtrans-70.5-33.3175.2-74-87.3000112.2Q36 I37 K38 V43 L44 A75 N78 I79Q36-N40 PolarHBondContact O-N 3.19Å; Q36-N40 PolarHBondContact O-ND2 3.41Å; I37-N40 PolarHBondContact O-N 2.86Å; K38-N40 VanDerWaalsContact C-N 3.29Å; K38-N40 PolarHBondContact O-N 3.04Å; N40-V43 PolarHBondContact O-N 2.95Å; N40-L44 PolarHBondContact O-N 2.83Å; N40-L44 VanDerWaalsContact O-N 3.13Å; N40-A75 HydrophobicContact CB-CB 4.44Å; N40-N78 PolarHBondContact OD1-ND2 2.93Å; N40-I79 HydrophobicContact CB-CD1 3.83Å; N40-I79 HydrophobicContact CB-CG1 3.48Å; N40-I79 VanDerWaalsContact CB-CG1 3.48Å
41Y94.1Very high90.4Very high81 Ų8169.2 Ų69.232%0.31838%0.379SS..Hα-helixtrans-65.3-42.3171.4-88.2-72.3000111.9I37 K38 V43 L44 E45 I79 Q83I37-Y41 HydrophobicContact CG2-CD2 3.59Å; I37-Y41 HydrophobicContact CG2-CE2 3.53Å; I37-Y41 VanDerWaalsContact O-CD2 3.32Å; I37-Y41 WeakPolarHBondContact O-CD2 3.25Å; I37-Y41 PolarHBondContact O-N 3.16Å; K38-Y41 WeakPolarHBondContact O-CA 3.3Å; K38-Y41 WeakPolarHBondContact O-CB 3.28Å; K38-Y41 PolarHBondContact O-N 3.08Å; Y41-V43 PolarHBondContact O-N 2.79Å; Y41-L44 CarbonylContact O-C 3.56Å; Y41-L44 WeakPolarHBondContact O-CA 3.48Å; Y41-L44 WeakPolarHBondContact O-CB 3.49Å; Y41-L44 PolarHBondContact O-N 2.88Å; Y41-E45 PolarHBondContact O-N 3.39Å; Y41-I79 HydrophobicContact CD1-CD1 4.21Å; Y41-I79 HydrophobicContact CD2-CD1 4.09Å; Y41-I79 HydrophobicContact CD2-CG1 4.39Å; Y41-I79 HydrophobicContact CE1-CD1 4.3Å; Y41-I79 HydrophobicContact CE2-CD1 4.18Å; Y41-I79 HydrophobicContact CE2-CG1 4.36Å; Y41-I79 HydrophobicContact CE2-CG2 3.81Å; Y41-I79 HydrophobicContact CG-CD1 4.1Å; Y41-Q83 PolarHBondContact OH-NE2 2.89Å
42D92.8Very high90.1Very high79 Ų7964.9 Ų64.942%0.42236%0.359SS..Hα-helixtrans-60-37.7176.2-61.9-21.1000110.8K38 A39 E45 S46K38-D42 VanDerWaalsContact O-CG 3.26Å; K38-D42 PolarHBondContact O-N 2.85Å; A39-D42 PolarHBondContact O-N 2.75Å; D42-E45 PolarHBondContact O-N 3.2Å; D42-S46 PolarHBondContact O-N 2.96Å
43V91.1Very high89.6Confident52 Ų5266.6 Ų66.632%0.31537%0.371SS..Hα-helixtrans-62-42.9171.9172.30000111.1A39 N40 Y41 S46 A75A39-V43 WeakPolarHBondContact O-CG2 3.46Å; A39-V43 PolarHBondContact O-N 3.38Å; A39-V43 VanDerWaalsContact O-N 3.13Å; N40-V43 PolarHBondContact O-N 2.95Å; Y41-V43 PolarHBondContact O-N 2.79Å; V43-S46 PolarHBondContact O-N 2.82Å; V43-S46 PolarHBondContact O-OG 2.81Å; V43-A75 HydrophobicContact CG1-CB 4.25Å
44L89.7Confident89.2Confident5 Ų569.8 Ų69.83%0.02639%0.386CS..Hα-helixtrans-66.1-42176.3-69178.4000112.4N40 Y41 S46 Q47 M52 V72 A75 R76 I79N40-L44 PolarHBondContact O-N 2.83Å; N40-L44 VanDerWaalsContact O-N 3.13Å; Y41-L44 CarbonylContact O-C 3.56Å; Y41-L44 WeakPolarHBondContact O-CA 3.48Å; Y41-L44 WeakPolarHBondContact O-CB 3.49Å; Y41-L44 PolarHBondContact O-N 2.88Å; L44-S46 VanDerWaalsContact C-N 3.25Å; L44-S46 PolarHBondContact O-N 3.13Å; L44-Q47 WeakPolarHBondContact O-CB 3.38Å; L44-Q47 PolarHBondContact O-N 2.89Å; L44-M52 HydrophobicContact CD1-SD 3.83Å; L44-V72 HydrophobicContact CD2-CB 4.22Å; L44-V72 HydrophobicContact CD2-CG1 3.83Å; L44-V72 HydrophobicContact CD2-CG2 4.24Å; L44-A75 HydrophobicContact CD2-CB 3.84Å; L44-A75 HydrophobicContact CG-CB 3.97Å; L44-R76 HydrophobicContact CD1-CG 4.27Å; L44-R76 HydrophobicContact CD2-CG 4.2Å; L44-I79 HydrophobicContact CD1-CD1 3.46Å; L44-I79 VanDerWaalsContact CD1-CD1 3.46Å; L44-I79 HydrophobicContact CG-CD1 4.32Å
45E88.6Confident89Confident157 Ų15770.4 Ų70.473%0.73440%0.396SS*.Hα-helixtrans-64.4-30.6178-71.7-170.8167.500112.6Y41 D42 Q47Y41-E45 PolarHBondContact O-N 3.39Å; D42-E45 PolarHBondContact O-N 3.2Å; E45-Q47 PolarHBondContact O-N 3.33Å
46S87.9Confident88.6Confident79 Ų7969.7 Ų69.755%0.55238%0.384SS*.Hα-helixtrans-64.5-22.5173.5800000113.2D42 V43 L44D42-S46 PolarHBondContact O-N 2.96Å; V43-S46 PolarHBondContact O-N 2.82Å; V43-S46 PolarHBondContact O-OG 2.81Å; L44-S46 VanDerWaalsContact C-N 3.25Å; L44-S46 PolarHBondContact O-N 3.13Å
47Q83.8Confident88.3Confident35 Ų3568.9 Ų68.916%0.16439%0.385CS..SBendtrans-91.6124.3178.7-57.1-52.9-54.300109.8L44 E45 G49 I50 V67 V72L44-Q47 WeakPolarHBondContact O-CB 3.38Å; L44-Q47 PolarHBondContact O-N 2.89Å; E45-Q47 PolarHBondContact O-N 3.33Å; Q47-G49 PolarHBondContact O-N 3.04Å; Q47-I50 PolarHBondContact O-N 3.44Å; Q47-V67 HydrophobicContact CB-CG1 3.77Å; Q47-V67 HydrophobicContact CG-CG1 4.13Å; Q47-V72 HydrophobicContact CB-CG2 4.07Å; Q47-V72 HydrophobicContact CG-CG2 3.83Å
48K73.1Confident87.9Confident162 Ų16270.4 Ų70.470%0.70439%0.393SS*.THydrogen-bonded Turntrans-44.395.3-173.1-77.3177.5177177.50113.7I50K48-I50 PolarHBondContact O-N 3.04Å; K48-I50 VanDerWaalsContact O-N 3.16Å
49G74.3Confident87.5Confident74 Ų7470.2 Ų70.276%0.76341%0.408SS*.THydrogen-bonded Turntrans62.520.6167.600000116Q47Q47-G49 PolarHBondContact O-N 3.04Å
50I79.6Confident87.2Confident3 Ų375.2 Ų75.22%0.01542%0.422CS..  trans-10399.6175.2-58.4-163.5000108.8Q47 K48 E54 L56 V67 V72Q47-I50 PolarHBondContact O-N 3.44Å; K48-I50 PolarHBondContact O-N 3.04Å; K48-I50 VanDerWaalsContact O-N 3.16Å; I50-E54 HydrophobicContact CG2-CB 4.14Å; I50-L56 HydrophobicContact CD1-CD2 4.35Å; I50-L56 HydrophobicContact CG2-CD2 3.93Å; I50-V67 HydrophobicContact CD1-CB 3.81Å; I50-V67 HydrophobicContact CD1-CG1 3.84Å; I50-V67 HydrophobicContact CD1-CG2 3.5Å; I50-V67 HydrophobicContact CG1-CG2 4.05Å; I50-V72 HydrophobicContact CG2-CG1 3.9Å
51G83.7Confident86.9Confident29 Ų2976.3 Ų76.330%0.29944%0.44SS..  trans-79.4-151.2173.500000112.5E54 R76G51-E54 WeakPolarHBondContact CA-OE2 3.47Å; G51-E54 PolarHBondContact N-OE2 3.21Å; G51-R76 VanDerWaalsContact O-CZ 3.24Å; G51-R76 PolarHBondContact O-NE 2.94Å; G51-R76 PolarHBondContact O-NH2 3.18Å
52M88.7Confident86.6Confident34 Ų3479.7 Ų79.717%0.16745%0.453CS..SBendtrans-78.1-25.5-173.2-16162.4-166.500113.9L44 E54 R76 I79 I80L44-M52 HydrophobicContact CD1-SD 3.83Å; M52-E54 PolarHBondContact N-OE2 2.91Å; M52-R76 VanDerWaalsContact CE-CA 3.42Å; M52-R76 HydrophobicContact CE-CB 3.67Å; M52-R76 HydrophobicContact CE-CG 3.95Å; M52-R76 WeakPolarHBondContact CE-O 2.93Å; M52-R76 WeakPolarHBondContact O-CD 3.31Å; M52-R76 PolarHBondContact O-NE 3.42Å; M52-R76 VanDerWaalsContact O-NE 3.15Å; M52-R76 HydrophobicContact SD-CB 4.07Å; M52-R76 HydrophobicContact SD-CG 3.69Å; M52-I79 HydrophobicContact CE-CB 3.93Å; M52-I79 HydrophobicContact CE-CG2 3.9Å; M52-I79 HydrophobicContact SD-CB 4.27Å; M52-I79 HydrophobicContact SD-CD1 3.92Å; M52-I79 HydrophobicContact SD-CG2 4.1Å; M52-I80 HydrophobicContact CE-CD1 3.79Å; M52-I80 HydrophobicContact CE-CG1 3.53Å
53N87.3Confident86.5Confident147 Ų14780.1 Ų80.179%0.78646%0.461SS*.SBendtrans-121.2-4.5-168.3-64.2-55.1000113.4
54E88.7Confident86.4Confident80 Ų8081 Ų8137%0.37446%0.458SS..  trans-68.3147.2-174.6-77.767-158.100112.1I50 G51 M52 R76I50-E54 HydrophobicContact CG2-CB 4.14Å; G51-E54 WeakPolarHBondContact CA-OE2 3.47Å; G51-E54 PolarHBondContact N-OE2 3.21Å; M52-E54 PolarHBondContact N-OE2 2.91Å; E54-R76 VanDerWaalsContact N-NH2 3.14Å; E54-R76 VanDerWaalsContact O-CZ 3.31Å; E54-R76 PolarHBondContact O-NH1 3.4Å; E54-R76 PolarHBondContact O-NH2 2.74Å
55P89.6Confident86.2Confident81 Ų8186.7 Ų86.753%0.52650%0.499SS..  trans-63.7136.6177.9-19.431.2000112.3V57 R64P55-V57 VanDerWaalsContact C-N 3.3Å; P55-V57 HydrophobicContact CB-CG2 4.47Å; P55-R64 VanDerWaalsContact O-CZ 3.28Å; P55-R64 PolarHBondContact O-NE 3Å; P55-R64 PolarHBondContact O-NH2 3.18Å
56L89.1Confident86.1Confident42 Ų4283.3 Ų83.322%0.2249%0.486CS..SBendtrans-89.51.8175.5-62.4-175.1000113.4I50 R64 L69 V72I50-L56 HydrophobicContact CD1-CD2 4.35Å; I50-L56 HydrophobicContact CG2-CD2 3.93Å; L56-R64 PolarHBondContact O-N 2.8Å; L56-L69 HydrophobicContact CB-CD2 3.69Å; L56-L69 HydrophobicContact CD1-CD2 4.43Å; L56-L69 HydrophobicContact CD2-CD2 4.26Å; L56-L69 HydrophobicContact CG-CD2 4.34Å; L56-L69 WeakPolarHBondContact O-CD2 3.5Å; L56-V72 HydrophobicContact CD2-CB 4.42Å; L56-V72 HydrophobicContact CD2-CG1 3.66Å
57V89.7Confident86Confident67 Ų6780.1 Ų80.141%0.40646%0.463SS..BIsolated β-bridgetrans-111.6154.3178-64.40000110P55 Y62 R64P55-V57 VanDerWaalsContact C-N 3.3Å; P55-V57 HydrophobicContact CB-CG2 4.47Å; V57-Y62 CarbonylContact C-O 3.46Å; V57-Y62 WeakPolarHBondContact CA-O 3.27Å; V57-Y62 WeakPolarHBondContact CB-O 3.18Å; V57-R64 PolarHBondContact O-NE 3.35Å; V57-R64 PolarHBondContact O-NH2 3Å
58D88.1Confident86.3Confident55 Ų5581.5 Ų81.529%0.29447%0.471SS..  trans-77.9-174.4171.664.620.9000111.7E60 G61 Y62 R64D58-E60 PolarHBondContact O-N 2.78Å; D58-E60 WeakPolarHBondContact OD1-CA 3.1Å; D58-E60 PolarHBondContact OD1-N 2.77Å; D58-G61 PolarHBondContact O-N 3.14Å; D58-G61 PolarHBondContact OD1-N 3.22Å; D58-Y62 PolarHBondContact N-O 3.03Å; D58-Y62 PolarHBondContact OD1-N 3.01Å; D58-R64 HydrophobicContact CB-CG 4.41Å
59C88Confident87Confident134 Ų13476.2 Ų76.291%0.90545%0.451SS*.THydrogen-bonded Turntrans-69.8-18.6179.250.40000113.9
60E89.3Confident87.8Confident156 Ų15681.2 Ų81.273%0.72945%0.448SS*.THydrogen-bonded Turntrans-93.2-8.3178.1-63.2-171.7104.200111.8D58 Y62D58-E60 PolarHBondContact O-N 2.78Å; D58-E60 WeakPolarHBondContact OD1-CA 3.1Å; D58-E60 PolarHBondContact OD1-N 2.77Å; E60-Y62 HydrophobicContact CB-CD2 3.76Å; E60-Y62 HydrophobicContact CB-CE2 4.08Å
61G87.3Confident88.3Confident51 Ų5185 Ų8553%0.52647%0.465SS..SBendtrans9211.6177.900000114.1D58D58-G61 PolarHBondContact O-N 3.14Å; D58-G61 PolarHBondContact OD1-N 3.22Å
62Y88.2Confident88.7Confident151 Ų15183.7 Ų83.759%0.59245%0.451SS*.PPolyproline II helixtrans-91.9155.2176.9-65.5-81000111.8V57 D58 E60 R64V57-Y62 CarbonylContact C-O 3.46Å; V57-Y62 WeakPolarHBondContact CA-O 3.27Å; V57-Y62 WeakPolarHBondContact CB-O 3.18Å; D58-Y62 PolarHBondContact N-O 3.03Å; D58-Y62 PolarHBondContact OD1-N 3.01Å; E60-Y62 HydrophobicContact CB-CD2 3.76Å; E60-Y62 HydrophobicContact CB-CE2 4.08Å; Y62-R64 PolarHBondContact O-N 3.25Å
63P90.4Very high88.9Confident89 Ų8991 Ų9158%0.57848%0.477SS*.BIsolated β-bridgetrans-61.7130.3177.2-18.230.4000111.1S65 L69P63-S65 PolarHBondContact O-N 3.24Å; P63-L69 HydrophobicContact CB-CD1 3.46Å; P63-L69 VanDerWaalsContact CB-CD1 3.46Å
64R88.4Confident89.2Confident69 Ų6986.3 Ų86.326%0.2645%0.454SS..PPolyproline II helixtrans-60.6124.9178.4-84.3-170.9-157.6-171.26.5111.8P55 L56 V57 D58 Y62 D66P55-R64 VanDerWaalsContact O-CZ 3.28Å; P55-R64 PolarHBondContact O-NE 3Å; P55-R64 PolarHBondContact O-NH2 3.18Å; L56-R64 PolarHBondContact O-N 2.8Å; V57-R64 PolarHBondContact O-NE 3.35Å; V57-R64 PolarHBondContact O-NH2 3Å; D58-R64 HydrophobicContact CB-CG 4.41Å; Y62-R64 PolarHBondContact O-N 3.25Å; R64-D66 VanDerWaalsContact CB-OD1 3.25Å; R64-D66 WeakPolarHBondContact CB-OD1 3.44Å
65S86.3Confident89.5Confident125 Ų12582.6 Ų82.687%0.87444%0.437SS*.SBendtrans-87.2-12.8178.256.20000113.6P63 V67P63-S65 PolarHBondContact O-N 3.24Å; S65-V67 VanDerWaalsContact C-N 3.33Å
66D85.8Confident89.7Confident86 Ų8680.4 Ų80.446%0.4642%0.418SS..SBendtrans-82.8-8.5-178.561.9-48.2000113.7R64R64-D66 VanDerWaalsContact CB-OD1 3.25Å; R64-D66 WeakPolarHBondContact CB-OD1 3.44Å
67V85.9Confident90Very high12 Ų1284 Ų847%0.07343%0.434CS..SBendtrans-136.2145.8-176.6-178.90000111.4Q47 I50 S65 L69 V72Q47-V67 HydrophobicContact CB-CG1 3.77Å; Q47-V67 HydrophobicContact CG-CG1 4.13Å; I50-V67 HydrophobicContact CD1-CB 3.81Å; I50-V67 HydrophobicContact CD1-CG1 3.84Å; I50-V67 HydrophobicContact CD1-CG2 3.5Å; I50-V67 HydrophobicContact CG1-CG2 4.05Å; S65-V67 VanDerWaalsContact C-N 3.33Å; V67-L69 PolarHBondContact O-N 2.91Å; V67-V72 HydrophobicContact CG1-CG2 3.58Å
68D90.5Very high90.3Very high64 Ų6483.6 Ų83.634%0.34243%0.429SS..  trans-74.494.7170.7-170.5-27.6000111.1Y70 Q71 V72D68-Y70 PolarHBondContact O-N 3.04Å; D68-Y70 WeakPolarHBondContact OD1-CB 3.4Å; D68-Y70 PolarHBondContact OD1-N 3.38Å; D68-Q71 HydrophobicContact CB-CB 4.13Å; D68-Q71 HydrophobicContact CB-CG 4.33Å; D68-Q71 PolarHBondContact O-N 3.44Å; D68-Q71 PolarHBondContact OD1-N 3.41Å; D68-Q71 WeakPolarHBondContact OD2-CG 3.16Å; D68-Q71 PolarHBondContact OD2-NE2 2.68Å; D68-V72 WeakPolarHBondContact O-CG2 3.42Å; D68-V72 PolarHBondContact O-N 3.32Å
69L87.8Confident90.7Very high52 Ų5281 Ų8127%0.27242%0.415SS..Hα-helixtrans-58.3-33179.4-64.7164.6000113.2L56 P63 V67 R73L56-L69 HydrophobicContact CB-CD2 3.69Å; L56-L69 HydrophobicContact CD1-CD2 4.43Å; L56-L69 HydrophobicContact CD2-CD2 4.26Å; L56-L69 HydrophobicContact CG-CD2 4.34Å; L56-L69 WeakPolarHBondContact O-CD2 3.5Å; P63-L69 HydrophobicContact CB-CD1 3.46Å; P63-L69 VanDerWaalsContact CB-CD1 3.46Å; V67-L69 PolarHBondContact O-N 2.91Å; L69-R73 WeakPolarHBondContact O-CB 3.41Å; L69-R73 PolarHBondContact O-N 3.02Å
70Y90.7Very high91Very high178 Ų17878.6 Ų78.670%0.69839%0.393SS*.Hα-helixtrans-71.3-47.5-178.8173.5-98.8000110.4D68 R73 T74D68-Y70 PolarHBondContact O-N 3.04Å; D68-Y70 WeakPolarHBondContact OD1-CB 3.4Å; D68-Y70 PolarHBondContact OD1-N 3.38Å; Y70-R73 PolarHBondContact O-N 3.46Å; Y70-T74 WeakPolarHBondContact O-CB 3.47Å; Y70-T74 PolarHBondContact O-N 3.45Å; Y70-T74 PolarHBondContact O-OG1 3.4Å
71Q90.9Very high91.3Very high84 Ų8473.6 Ų73.639%0.39337%0.374SS..Hα-helixtrans-62.6-45.6176.7-73.6-170.973.900111.6D68 R73 T74 A75D68-Q71 HydrophobicContact CB-CB 4.13Å; D68-Q71 HydrophobicContact CB-CG 4.33Å; D68-Q71 PolarHBondContact O-N 3.44Å; D68-Q71 PolarHBondContact OD1-N 3.41Å; D68-Q71 WeakPolarHBondContact OD2-CG 3.16Å; D68-Q71 PolarHBondContact OD2-NE2 2.68Å; Q71-R73 PolarHBondContact O-N 3.46Å; Q71-T74 PolarHBondContact O-N 3.11Å; Q71-A75 VanDerWaalsContact O-CB 3.32Å; Q71-A75 WeakPolarHBondContact O-CB 3.4Å; Q71-A75 PolarHBondContact O-N 3.31Å
72V92.2Very high91.8Very high0 Ų072.1 Ų72.10%035%0.354CS..Hα-helixtrans-61.2-46.9178.1172.40000111.5L44 Q47 I50 L56 V67 D68 T74 A75 R76L44-V72 HydrophobicContact CD2-CB 4.22Å; L44-V72 HydrophobicContact CD2-CG1 3.83Å; L44-V72 HydrophobicContact CD2-CG2 4.24Å; Q47-V72 HydrophobicContact CB-CG2 4.07Å; Q47-V72 HydrophobicContact CG-CG2 3.83Å; I50-V72 HydrophobicContact CG2-CG1 3.9Å; L56-V72 HydrophobicContact CD2-CB 4.42Å; L56-V72 HydrophobicContact CD2-CG1 3.66Å; V67-V72 HydrophobicContact CG1-CG2 3.58Å; D68-V72 WeakPolarHBondContact O-CG2 3.42Å; D68-V72 PolarHBondContact O-N 3.32Å; V72-T74 VanDerWaalsContact C-N 3.31Å; V72-T74 PolarHBondContact O-N 3.3Å; V72-A75 PolarHBondContact O-N 3.14Å; V72-R76 HydrophobicContact CG1-CG 4.27Å; V72-R76 WeakPolarHBondContact O-CB 3.37Å; V72-R76 VanDerWaalsContact O-CG 3.27Å; V72-R76 WeakPolarHBondContact O-CG 3.47Å; V72-R76 PolarHBondContact O-N 2.9Å
73R92.4Very high92.2Very high187 Ų18768.9 Ų68.971%0.70634%0.344SS*.Hα-helixtrans-63.6-40-179.6-170.6175.2-171.4169.42.5111.8L69 Y70 Q71 H77L69-R73 WeakPolarHBondContact O-CB 3.41Å; L69-R73 PolarHBondContact O-N 3.02Å; Y70-R73 PolarHBondContact O-N 3.46Å; Q71-R73 PolarHBondContact O-N 3.46Å; R73-H77 WeakPolarHBondContact O-CB 3.41Å; R73-H77 PolarHBondContact O-N 3.39Å
74T94.3Very high92.4Very high50 Ų5069.5 Ų69.531%0.30734%0.343SS..Hα-helixtrans-66-49177.6-56.60000110.9Y70 Q71 V72 R76 H77 N78Y70-T74 WeakPolarHBondContact O-CB 3.47Å; Y70-T74 PolarHBondContact O-N 3.45Å; Y70-T74 PolarHBondContact O-OG1 3.4Å; Q71-T74 PolarHBondContact O-N 3.11Å; V72-T74 VanDerWaalsContact C-N 3.31Å; V72-T74 PolarHBondContact O-N 3.3Å; T74-R76 PolarHBondContact O-N 3.23Å; T74-H77 PolarHBondContact O-N 2.94Å; T74-N78 WeakPolarHBondContact O-CB 3.36Å; T74-N78 PolarHBondContact O-N 2.92Å; T74-N78 PolarHBondContact O-ND2 3.37Å; T74-N78 PolarHBondContact O-OD1 3.42Å
75A94.1Very high92.8Very high2 Ų270.1 Ų70.12%0.01735%0.351CS..Hα-helixtrans-60.3-44.6177.800000111.7N40 V43 L44 Q71 V72 H77 N78 I79N40-A75 HydrophobicContact CB-CB 4.44Å; V43-A75 HydrophobicContact CG1-CB 4.25Å; L44-A75 HydrophobicContact CD2-CB 3.84Å; L44-A75 HydrophobicContact CG-CB 3.97Å; Q71-A75 VanDerWaalsContact O-CB 3.32Å; Q71-A75 WeakPolarHBondContact O-CB 3.4Å; Q71-A75 PolarHBondContact O-N 3.31Å; V72-A75 PolarHBondContact O-N 3.14Å; A75-H77 PolarHBondContact O-N 3.13Å; A75-N78 PolarHBondContact O-N 2.9Å; A75-I79 WeakPolarHBondContact O-CB 3.49Å; A75-I79 WeakPolarHBondContact O-CD1 3.45Å; A75-I79 VanDerWaalsContact O-CG1 3.25Å; A75-I79 WeakPolarHBondContact O-CG1 3.38Å; A75-I79 PolarHBondContact O-N 2.96Å
76R94.6Very high93.3Very high34 Ų3466 Ų6613%0.12832%0.318CS..Hα-helixtrans-59.7-46.4174.9-73.7-176.6177.6-177.1-1.2112L44 G51 M52 E54 V72 T74 N78 I79 I80L44-R76 HydrophobicContact CD1-CG 4.27Å; L44-R76 HydrophobicContact CD2-CG 4.2Å; G51-R76 VanDerWaalsContact O-CZ 3.24Å; G51-R76 PolarHBondContact O-NE 2.94Å; G51-R76 PolarHBondContact O-NH2 3.18Å; M52-R76 VanDerWaalsContact CE-CA 3.42Å; M52-R76 HydrophobicContact CE-CB 3.67Å; M52-R76 HydrophobicContact CE-CG 3.95Å; M52-R76 WeakPolarHBondContact CE-O 2.93Å; M52-R76 WeakPolarHBondContact O-CD 3.31Å; M52-R76 PolarHBondContact O-NE 3.42Å; M52-R76 VanDerWaalsContact O-NE 3.15Å; M52-R76 HydrophobicContact SD-CB 4.07Å; M52-R76 HydrophobicContact SD-CG 3.69Å; E54-R76 VanDerWaalsContact N-NH2 3.14Å; E54-R76 VanDerWaalsContact O-CZ 3.31Å; E54-R76 PolarHBondContact O-NH1 3.4Å; E54-R76 PolarHBondContact O-NH2 2.74Å; V72-R76 HydrophobicContact CG1-CG 4.27Å; V72-R76 WeakPolarHBondContact O-CB 3.37Å; V72-R76 VanDerWaalsContact O-CG 3.27Å; V72-R76 WeakPolarHBondContact O-CG 3.47Å; V72-R76 PolarHBondContact O-N 2.9Å; T74-R76 PolarHBondContact O-N 3.23Å; R76-N78 PolarHBondContact O-N 3.49Å; R76-I79 PolarHBondContact O-N 2.99Å; R76-I80 WeakPolarHBondContact O-CD1 3.49Å; R76-I80 WeakPolarHBondContact O-CG1 3.28Å; R76-I80 PolarHBondContact O-N 2.94Å; R76-I80 VanDerWaalsContact O-N 3.16Å
77H95.6Very high93.8Very high119 Ų11969.4 Ų69.455%0.55133%0.329SS*.Hα-helixtrans-60.9-47.6178.2179.766.2000111.4R73 T74 A75 I79 I80 C81R73-H77 WeakPolarHBondContact O-CB 3.41Å; R73-H77 PolarHBondContact O-N 3.39Å; T74-H77 PolarHBondContact O-N 2.94Å; A75-H77 PolarHBondContact O-N 3.13Å; H77-I79 PolarHBondContact O-N 2.86Å; H77-I80 PolarHBondContact O-N 3.1Å; H77-C81 VanDerWaalsContact CE1-SG 3.54Å; H77-C81 PolarHBondContact O-N 2.96Å; H77-C81 PolarHBondContact O-SG 3.49Å; H77-C81 VanDerWaalsContact O-SG 3.37Å
78N95.7Very high94.2Very high58 Ų5871.2 Ų71.231%0.3135%0.345SS..Hα-helixtrans-61.1-44.7179.8-68.2-13.6000112N40 T74 A75 R76 I80 C81 L82N40-N78 PolarHBondContact OD1-ND2 2.93Å; T74-N78 WeakPolarHBondContact O-CB 3.36Å; T74-N78 PolarHBondContact O-N 2.92Å; T74-N78 PolarHBondContact O-ND2 3.37Å; T74-N78 PolarHBondContact O-OD1 3.42Å; A75-N78 PolarHBondContact O-N 2.9Å; R76-N78 PolarHBondContact O-N 3.49Å; N78-I80 VanDerWaalsContact C-N 3.32Å; N78-I80 PolarHBondContact O-N 2.83Å; N78-C81 PolarHBondContact O-N 2.95Å; N78-L82 VanDerWaalsContact O-CB 3.3Å; N78-L82 WeakPolarHBondContact O-CB 3.5Å; N78-L82 VanDerWaalsContact O-CG 3.22Å; N78-L82 WeakPolarHBondContact O-CG 3.36Å; N78-L82 PolarHBondContact O-N 3.25Å
79I95.4Very high94.5Very high0 Ų068.4 Ų68.40%033%0.33CS..Hα-helixtrans-58.3-45.3177.3-71.8162.9000110.7N40 Y41 L44 M52 A75 R76 H77 L82 Q83N40-I79 HydrophobicContact CB-CD1 3.83Å; N40-I79 HydrophobicContact CB-CG1 3.48Å; N40-I79 VanDerWaalsContact CB-CG1 3.48Å; Y41-I79 HydrophobicContact CD1-CD1 4.21Å; Y41-I79 HydrophobicContact CD2-CD1 4.09Å; Y41-I79 HydrophobicContact CD2-CG1 4.39Å; Y41-I79 HydrophobicContact CE1-CD1 4.3Å; Y41-I79 HydrophobicContact CE2-CD1 4.18Å; Y41-I79 HydrophobicContact CE2-CG1 4.36Å; Y41-I79 HydrophobicContact CE2-CG2 3.81Å; Y41-I79 HydrophobicContact CG-CD1 4.1Å; L44-I79 HydrophobicContact CD1-CD1 3.46Å; L44-I79 VanDerWaalsContact CD1-CD1 3.46Å; L44-I79 HydrophobicContact CG-CD1 4.32Å; M52-I79 HydrophobicContact CE-CB 3.93Å; M52-I79 HydrophobicContact CE-CG2 3.9Å; M52-I79 HydrophobicContact SD-CB 4.27Å; M52-I79 HydrophobicContact SD-CD1 3.92Å; M52-I79 HydrophobicContact SD-CG2 4.1Å; A75-I79 WeakPolarHBondContact O-CB 3.49Å; A75-I79 WeakPolarHBondContact O-CD1 3.45Å; A75-I79 VanDerWaalsContact O-CG1 3.25Å; A75-I79 WeakPolarHBondContact O-CG1 3.38Å; A75-I79 PolarHBondContact O-N 2.96Å; R76-I79 PolarHBondContact O-N 2.99Å; H77-I79 PolarHBondContact O-N 2.86Å; I79-L82 PolarHBondContact O-N 3.48Å; I79-Q83 HydrophobicContact CG2-CG 4.19Å; I79-Q83 VanDerWaalsContact O-CB 3.26Å; I79-Q83 WeakPolarHBondContact O-CB 3.28Å; I79-Q83 WeakPolarHBondContact O-CG 3.2Å; I79-Q83 PolarHBondContact O-N 3.46Å
80I95.9Very high94.9Very high84 Ų8469.8 Ų69.843%0.43134%0.337SS..Hα-helixtrans-63.1-46.3-180-67.4163.3000110.7M52 R76 H77 N78 Q83 N84M52-I80 HydrophobicContact CE-CD1 3.79Å; M52-I80 HydrophobicContact CE-CG1 3.53Å; R76-I80 WeakPolarHBondContact O-CD1 3.49Å; R76-I80 WeakPolarHBondContact O-CG1 3.28Å; R76-I80 PolarHBondContact O-N 2.94Å; R76-I80 VanDerWaalsContact O-N 3.16Å; H77-I80 PolarHBondContact O-N 3.1Å; N78-I80 VanDerWaalsContact C-N 3.32Å; N78-I80 PolarHBondContact O-N 2.83Å; I80-Q83 PolarHBondContact O-N 3.05Å; I80-N84 PolarHBondContact O-N 3.31Å; I80-N84 VanDerWaalsContact O-N 3.1Å; I80-N84 PolarHBondContact O-ND2 2.94Å; I80-N84 VanDerWaalsContact O-ND2 3.13Å
81C95.8Very high95.1Very high51 Ų5167.2 Ų67.235%0.34533%0.329SS..Hα-helixtrans-60.8-49.7177.7-67.10000111.2H77 N78 Q83 N84 D85H77-C81 VanDerWaalsContact CE1-SG 3.54Å; H77-C81 PolarHBondContact O-N 2.96Å; H77-C81 PolarHBondContact O-SG 3.49Å; H77-C81 VanDerWaalsContact O-SG 3.37Å; N78-C81 PolarHBondContact O-N 2.95Å; C81-Q83 VanDerWaalsContact C-N 3.34Å; C81-Q83 PolarHBondContact O-N 2.93Å; C81-N84 WeakPolarHBondContact O-CB 3.33Å; C81-N84 PolarHBondContact O-N 3.39Å; C81-N84 VanDerWaalsContact O-N 3.17Å; C81-D85 PolarHBondContact O-N 3.14Å
82L97Very high95.2Very high20 Ų2067.4 Ų67.411%0.10533%0.33CS..Hα-helixtrans-65.2-34.4179.8-70169.7000112.8I33 Q36 I37 N78 I79 D85 H86I33-L82 HydrophobicContact CG2-CB 4.18Å; I33-L82 HydrophobicContact CG2-CD2 4.25Å; I33-L82 WeakPolarHBondContact CG2-O 3.29Å; Q36-L82 HydrophobicContact CB-CD1 3.72Å; Q36-L82 HydrophobicContact CB-CD2 4.45Å; I37-L82 HydrophobicContact CD1-CB 4.03Å; I37-L82 HydrophobicContact CG1-CB 3.51Å; I37-L82 HydrophobicContact CG1-CD1 4.17Å; I37-L82 HydrophobicContact CG1-CG 4.47Å; N78-L82 VanDerWaalsContact O-CB 3.3Å; N78-L82 WeakPolarHBondContact O-CB 3.5Å; N78-L82 VanDerWaalsContact O-CG 3.22Å; N78-L82 WeakPolarHBondContact O-CG 3.36Å; N78-L82 PolarHBondContact O-N 3.25Å; I79-L82 PolarHBondContact O-N 3.48Å; L82-D85 PolarHBondContact O-N 3.3Å; L82-H86 VanDerWaalsContact O-CB 3.28Å; L82-H86 WeakPolarHBondContact O-CB 3.36Å; L82-H86 PolarHBondContact O-N 2.98Å
83Q95.8Very high95.3Very high82 Ų8268.2 Ų68.238%0.38334%0.335SS..Hα-helixtrans-66.1-38.9174.2-80177.5-10.500111.9I37 Y41 I79 I80 C81 K87I37-Q83 HydrophobicContact CD1-CG 4.11Å; Y41-Q83 PolarHBondContact OH-NE2 2.89Å; I79-Q83 HydrophobicContact CG2-CG 4.19Å; I79-Q83 VanDerWaalsContact O-CB 3.26Å; I79-Q83 WeakPolarHBondContact O-CB 3.28Å; I79-Q83 WeakPolarHBondContact O-CG 3.2Å; I79-Q83 PolarHBondContact O-N 3.46Å; I80-Q83 PolarHBondContact O-N 3.05Å; C81-Q83 VanDerWaalsContact C-N 3.34Å; C81-Q83 PolarHBondContact O-N 2.93Å; Q83-K87 WeakPolarHBondContact O-CB 3.44Å; Q83-K87 PolarHBondContact O-N 3.48Å
84N96Very high95.3Very high102 Ų10264.7 Ų64.755%0.54533%0.326SS..Hα-helixtrans-65.9-42173.8-69.6-36.1000111.2I80 C81 K87 A88I80-N84 PolarHBondContact O-N 3.31Å; I80-N84 VanDerWaalsContact O-N 3.1Å; I80-N84 PolarHBondContact O-ND2 2.94Å; I80-N84 VanDerWaalsContact O-ND2 3.13Å; C81-N84 WeakPolarHBondContact O-CB 3.33Å; C81-N84 PolarHBondContact O-N 3.39Å; C81-N84 VanDerWaalsContact O-N 3.17Å; N84-K87 PolarHBondContact O-N 3.3Å; N84-A88 PolarHBondContact O-N 2.93Å
85D95.6Very high95.2Very high82 Ų8266.5 Ų66.544%0.43933%0.331SS..Hα-helixtrans-65.3-42.1176.3-69.9-19.5000111.7I33 C81 L82 K87 A88 V89I33-D85 HydrophobicContact CD1-CB 4.25Å; C81-D85 PolarHBondContact O-N 3.14Å; L82-D85 PolarHBondContact O-N 3.3Å; D85-K87 VanDerWaalsContact C-N 3.32Å; D85-K87 PolarHBondContact O-N 2.92Å; D85-A88 WeakPolarHBondContact O-CB 3.48Å; D85-A88 PolarHBondContact O-N 2.88Å; D85-A88 VanDerWaalsContact O-N 3.1Å; D85-V89 WeakPolarHBondContact O-CG2 3.36Å; D85-V89 PolarHBondContact O-N 3.46Å
86H96.3Very high95.1Very high40 Ų4066.7 Ų66.719%0.18533%0.332CS..Hα-helixtrans-58-45.7174.6179.2-94.6000111.3I33 E34 I37 L82 A88 V89 M90I33-H86 HydrophobicContact CG2-CB 3.79Å; E34-H86 WeakPolarHBondContact CG-NE2 2.84Å; E34-H86 IonicContact OE1-CD2 3.44Å; E34-H86 IonicContact OE1-CE1 3.7Å; E34-H86 IonicContact OE1-NE2 3.56Å; E34-H86 PolarHBondContact OE1-NE2 3.11Å; I37-H86 HydrophobicContact CD1-CB 4.27Å; L82-H86 VanDerWaalsContact O-CB 3.28Å; L82-H86 WeakPolarHBondContact O-CB 3.36Å; L82-H86 PolarHBondContact O-N 2.98Å; H86-A88 VanDerWaalsContact C-N 3.3Å; H86-A88 PolarHBondContact O-N 2.66Å; H86-V89 PolarHBondContact O-N 3.36Å; H86-M90 WeakPolarHBondContact O-CB 3.43Å; H86-M90 WeakPolarHBondContact O-CG 3.38Å; H86-M90 PolarHBondContact O-N 3.38Å
87K96.4Very high94.9Very high156 Ų15668.5 Ų68.568%0.67835%0.345SS*.Hα-helixtrans-61.1-39.6175.2-174.7177.9-179.8178.80111.8Q83 N84 D85 K91Q83-K87 WeakPolarHBondContact O-CB 3.44Å; Q83-K87 PolarHBondContact O-N 3.48Å; N84-K87 PolarHBondContact O-N 3.3Å; D85-K87 VanDerWaalsContact C-N 3.32Å; D85-K87 PolarHBondContact O-N 2.92Å; K87-K91 PolarHBondContact O-N 2.83Å; K87-K91 VanDerWaalsContact O-N 3.15Å
88A96.1Very high94.7Very high50 Ų5068.3 Ų68.341%0.41334%0.343SS..Hα-helixtrans-66-45176.400000111.9N84 D85 H86 K91 Q92N84-A88 PolarHBondContact O-N 2.93Å; D85-A88 WeakPolarHBondContact O-CB 3.48Å; D85-A88 PolarHBondContact O-N 2.88Å; D85-A88 VanDerWaalsContact O-N 3.1Å; H86-A88 VanDerWaalsContact C-N 3.3Å; H86-A88 PolarHBondContact O-N 2.66Å; A88-K91 WeakPolarHBondContact O-CB 3.4Å; A88-K91 PolarHBondContact O-N 3.04Å; A88-Q92 WeakPolarHBondContact O-CG 3.4Å; A88-Q92 PolarHBondContact O-N 3.02Å; A88-Q92 VanDerWaalsContact O-N 3.07Å
89V95.9Very high94.4Very high5 Ų570.5 Ų70.53%0.0335%0.352CS..Hα-helixtrans-64.9-42177.2173.10000111.1L26 R29 K30 I33 D85 H86 K91 Q92 V93L26-V89 WeakPolarHBondContact O-CG1 3.35Å; R29-V89 HydrophobicContact CG-CG2 4.43Å; K30-V89 HydrophobicContact CB-CG1 4.01Å; I33-V89 HydrophobicContact CD1-CG2 3.84Å; D85-V89 WeakPolarHBondContact O-CG2 3.36Å; D85-V89 PolarHBondContact O-N 3.46Å; H86-V89 PolarHBondContact O-N 3.36Å; V89-K91 VanDerWaalsContact C-N 3.29Å; V89-K91 PolarHBondContact O-N 3.46Å; V89-Q92 WeakPolarHBondContact O-CB 3.49Å; V89-Q92 PolarHBondContact O-N 3.07Å; V89-Q92 VanDerWaalsContact O-N 3.1Å; V89-V93 HydrophobicContact CG1-CG2 4.4Å; V89-V93 WeakPolarHBondContact O-CG2 3.31Å; V89-V93 PolarHBondContact O-N 3.38Å
90M95.3Very high94.1Very high82 Ų8271.8 Ų71.840%0.40436%0.359SS..Hα-helixtrans-58.3-41.9175.5-79.7-67.6-73.400112.1K30 H86 V93 E94K30-M90 HydrophobicContact CD-SD 3.61Å; K30-M90 WeakPolarHBondContact CE-SD 3.37Å; K30-M90 HydrophobicContact CG-SD 4.34Å; H86-M90 WeakPolarHBondContact O-CB 3.43Å; H86-M90 WeakPolarHBondContact O-CG 3.38Å; H86-M90 PolarHBondContact O-N 3.38Å; M90-V93 PolarHBondContact O-N 3.4Å; M90-E94 PolarHBondContact O-N 3.45Å
91K96.3Very high93.8Very high123 Ų12373.1 Ų73.154%0.53536%0.363SS..Hα-helixtrans-63-41.5174.8-174.9-179172.6-171.30111.9K87 A88 V89 E94 E95K87-K91 PolarHBondContact O-N 2.83Å; K87-K91 VanDerWaalsContact O-N 3.15Å; A88-K91 WeakPolarHBondContact O-CB 3.4Å; A88-K91 PolarHBondContact O-N 3.04Å; V89-K91 VanDerWaalsContact C-N 3.29Å; V89-K91 PolarHBondContact O-N 3.46Å; K91-E94 PolarHBondContact O-N 3.35Å; K91-E95 WeakPolarHBondContact CE-OE1 3.37Å; K91-E95 IonicContact NZ-OE1 2.73Å; K91-E95 WeakPolarHBondContact O-CG 3.46Å; K91-E95 PolarHBondContact O-N 3.23Å
92Q93.2Very high93.5Very high89 Ų8973.6 Ų73.642%0.41637%0.37SS..Hα-helixtrans-63.9-40.2176.2-70.3174.7-7.500112.1L26 A88 V89 E95 A96L26-Q92 HydrophobicContact CD1-CB 4.15Å; L26-Q92 HydrophobicContact CD2-CB 4.21Å; A88-Q92 WeakPolarHBondContact O-CG 3.4Å; A88-Q92 PolarHBondContact O-N 3.02Å; A88-Q92 VanDerWaalsContact O-N 3.07Å; V89-Q92 WeakPolarHBondContact O-CB 3.49Å; V89-Q92 PolarHBondContact O-N 3.07Å; V89-Q92 VanDerWaalsContact O-N 3.1Å; Q92-E95 PolarHBondContact O-N 3.48Å; Q92-A96 WeakPolarHBondContact O-CB 3.33Å; Q92-A96 PolarHBondContact O-N 3.44Å
93V93.5Very high92.9Very high17 Ų1780 Ų8010%0.10339%0.393CS..Hα-helixtrans-61.4-45.3175.4172.70000110.9L26 M27 V89 M90 A96 L97L26-V93 HydrophobicContact CB-CG2 3.6Å; L26-V93 HydrophobicContact CD1-CG2 4.41Å; M27-V93 HydrophobicContact CE-CG1 4.34Å; V89-V93 HydrophobicContact CG1-CG2 4.4Å; V89-V93 WeakPolarHBondContact O-CG2 3.31Å; V89-V93 PolarHBondContact O-N 3.38Å; M90-V93 PolarHBondContact O-N 3.4Å; V93-A96 PolarHBondContact O-N 3.49Å; V93-L97 WeakPolarHBondContact O-CB 3.37Å; V93-L97 PolarHBondContact O-N 2.96Å
94E92.8Very high92.4Very high112 Ų11280.4 Ų80.452%0.52340%0.398SS..Hα-helixtrans-59.1-49.9177.2-176.7-173.3169.800111.7M90 K91 A96 L97 H98M90-E94 PolarHBondContact O-N 3.45Å; K91-E94 PolarHBondContact O-N 3.35Å; E94-A96 PolarHBondContact O-N 2.91Å; E94-L97 PolarHBondContact O-N 3.42Å; E94-H98 PolarHBondContact O-N 3.06Å; E94-H98 PolarHBondContact O-ND1 2.91Å; E94-H98 IonicContact OE1-CE1 2.63Å
95E92.5Very high92.1Very high89 Ų8983 Ų8342%0.41640%0.404SS..Hα-helixtrans-61.2-43.6178.6-72.4174.3-17900111.9K91 Q92 H98 Q99K91-E95 WeakPolarHBondContact CE-OE1 3.37Å; K91-E95 IonicContact NZ-OE1 2.73Å; K91-E95 WeakPolarHBondContact O-CG 3.46Å; K91-E95 PolarHBondContact O-N 3.23Å; Q92-E95 PolarHBondContact O-N 3.48Å; E95-H98 PolarHBondContact O-N 3.14Å; E95-Q99 VanDerWaalsContact O-CG 3.3Å; E95-Q99 WeakPolarHBondContact O-CG 3.42Å; E95-Q99 PolarHBondContact O-N 3.15Å; E95-Q99 VanDerWaalsContact O-N 3.07Å
96A91.4Very high91.7Very high5 Ų584 Ų844%0.04141%0.407CS..Hα-helixtrans-63.3-41.7178.900000112.1V18 V23 L26 Q92 V93 E94 Q99 L100V18-A96 HydrophobicContact CG1-CB 3.68Å; V23-A96 HydrophobicContact CG2-CB 3.78Å; L26-A96 HydrophobicContact CD1-CB 4.19Å; Q92-A96 WeakPolarHBondContact O-CB 3.33Å; Q92-A96 PolarHBondContact O-N 3.44Å; V93-A96 PolarHBondContact O-N 3.49Å; E94-A96 PolarHBondContact O-N 2.91Å; A96-Q99 PolarHBondContact O-N 3.07Å; A96-L100 PolarHBondContact O-N 3.36Å; A96-L100 VanDerWaalsContact O-N 3.14Å
97L90.7Very high91.2Very high73 Ų7388.3 Ų88.338%0.38243%0.425SS..Hα-helixtrans-66.7-43.8177.7-171.963.5000111.6V93 E94 Q99 L100 H101V93-L97 WeakPolarHBondContact O-CB 3.37Å; V93-L97 PolarHBondContact O-N 2.96Å; E94-L97 PolarHBondContact O-N 3.42Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 3.1Å; L97-L100 PolarHBondContact O-N 3.31Å; L97-H101 VanDerWaalsContact CD1-NE2 3.33Å; L97-H101 WeakPolarHBondContact CD1-NE2 3.49Å; L97-H101 PolarHBondContact O-CD2 3.41Å; L97-H101 PolarHBondContact O-N 3.32Å
98H91Very high90.5Very high114 Ų11486.8 Ų86.853%0.52842%0.42SS..Hα-helixtrans-59.6-40175.1-73.1155.5000112.4E94 E95 A102E94-H98 PolarHBondContact O-N 3.06Å; E94-H98 PolarHBondContact O-ND1 2.91Å; E94-H98 IonicContact OE1-CE1 2.63Å; E95-H98 PolarHBondContact O-N 3.14Å; H98-A102 VanDerWaalsContact O-CB 3.22Å; H98-A102 WeakPolarHBondContact O-CB 3.41Å; H98-A102 PolarHBondContact O-N 3.05Å
99Q90.4Very high90.1Very high105 Ų10586.9 Ų86.949%0.49142%0.421SS..Hα-helixtrans-65.4-42.7177.7-71.8174.738.700112.6E95 A96 L97 A102 R103E95-Q99 VanDerWaalsContact O-CG 3.3Å; E95-Q99 WeakPolarHBondContact O-CG 3.42Å; E95-Q99 PolarHBondContact O-N 3.15Å; E95-Q99 VanDerWaalsContact O-N 3.07Å; A96-Q99 PolarHBondContact O-N 3.07Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 3.1Å; Q99-A102 PolarHBondContact O-N 3.19Å; Q99-R103 WeakPolarHBondContact O-CB 3.4Å; Q99-R103 PolarHBondContact O-N 2.85Å
100L89.3Confident89.6Confident27 Ų2793.9 Ų93.914%0.14145%0.447CS..Hα-helixtrans-61.2-50175.7-77.9174.4000111.6V18 V20 V23 A96 L97 A102 R103 D104V18-L100 WeakPolarHBondContact O-CD2 3.5Å; V20-L100 HydrophobicContact CG2-CD1 4.28Å; V20-L100 HydrophobicContact CG2-CD2 4.46Å; V23-L100 HydrophobicContact CG2-CD1 3.64Å; A96-L100 PolarHBondContact O-N 3.36Å; A96-L100 VanDerWaalsContact O-N 3.14Å; L97-L100 PolarHBondContact O-N 3.31Å; L100-A102 PolarHBondContact O-N 3.43Å; L100-R103 WeakPolarHBondContact O-CB 3.36Å; L100-R103 PolarHBondContact O-N 3.33Å; L100-D104 PolarHBondContact O-N 3.03Å
101H88.6Confident89.1Confident111 Ų11193.9 Ų93.951%0.51445%0.448SS..Hα-helixtrans-66.7-35.8179.8-71.8-63.4000113.2L97 R103 D104 K105L97-H101 VanDerWaalsContact CD1-NE2 3.33Å; L97-H101 WeakPolarHBondContact CD1-NE2 3.49Å; L97-H101 PolarHBondContact O-CD2 3.41Å; L97-H101 PolarHBondContact O-N 3.32Å; H101-R103 VanDerWaalsContact C-N 3.31Å; H101-D104 PolarHBondContact O-N 3.36Å; H101-K105 VanDerWaalsContact O-CB 3.22Å; H101-K105 WeakPolarHBondContact O-CB 3.48Å; H101-K105 PolarHBondContact O-N 2.93Å
102A89.8Confident88.6Confident61 Ų6193.7 Ų93.750%0.50445%0.45SS..Hα-helixtrans-61.9-43174.700000111.1H98 Q99 L100 K105 E106H98-A102 VanDerWaalsContact O-CB 3.22Å; H98-A102 WeakPolarHBondContact O-CB 3.41Å; H98-A102 PolarHBondContact O-N 3.05Å; Q99-A102 PolarHBondContact O-N 3.19Å; L100-A102 PolarHBondContact O-N 3.43Å; A102-K105 PolarHBondContact O-N 3.03Å; A102-E106 WeakPolarHBondContact O-CB 3.32Å; A102-E106 PolarHBondContact O-N 3.3Å
103R84.3Confident88.2Confident154 Ų15492.3 Ų92.358%0.58146%0.455SS*.Hα-helixtrans-65.9-45177.1-174.3-177175.4106.3-1112.2Q99 L100 H101 K105 E106 K107Q99-R103 WeakPolarHBondContact O-CB 3.4Å; Q99-R103 PolarHBondContact O-N 2.85Å; L100-R103 WeakPolarHBondContact O-CB 3.36Å; L100-R103 PolarHBondContact O-N 3.33Å; H101-R103 VanDerWaalsContact C-N 3.31Å; R103-K105 VanDerWaalsContact C-N 3.33Å; R103-K105 PolarHBondContact O-N 2.9Å; R103-E106 PolarHBondContact O-N 2.96Å; R103-K107 WeakPolarHBondContact O-CB 3.22Å; R103-K107 PolarHBondContact O-N 2.73Å
104D86.1Confident87.8Confident91 Ų9197.1 Ų97.149%0.48748%0.476SS..Hα-helixtrans-64.1-40.5178.1-74.2-21000111.4L100 H101 K107 Q108L100-D104 PolarHBondContact O-N 3.03Å; H101-D104 PolarHBondContact O-N 3.36Å; D104-K107 PolarHBondContact O-N 2.83Å; D104-Q108 VanDerWaalsContact O-CB 3.25Å; D104-Q108 WeakPolarHBondContact O-CB 3.34Å; D104-Q108 PolarHBondContact O-N 3.26Å
105K88.8Confident87.3Confident157 Ų15794.3 Ų94.368%0.68347%0.472SS*.Hα-helixtrans-63-42.6174.8-175178.6-178.8-179.50112H101 A102 R103 A109H101-K105 VanDerWaalsContact O-CB 3.22Å; H101-K105 WeakPolarHBondContact O-CB 3.48Å; H101-K105 PolarHBondContact O-N 2.93Å; A102-K105 PolarHBondContact O-N 3.03Å; R103-K105 VanDerWaalsContact C-N 3.33Å; R103-K105 PolarHBondContact O-N 2.9Å; K105-A109 VanDerWaalsContact O-CB 3.31Å; K105-A109 WeakPolarHBondContact O-CB 3.49Å; K105-A109 PolarHBondContact O-N 3.27Å
106E86.3Confident86.6Confident103 Ų10396.3 Ų96.348%0.48148%0.481SS..Hα-helixtrans-64.9-45176.4-173.6-178.8-162.700111.4A102 R103 A109 R110A102-E106 WeakPolarHBondContact O-CB 3.32Å; A102-E106 PolarHBondContact O-N 3.3Å; R103-E106 PolarHBondContact O-N 2.96Å; E106-A109 PolarHBondContact O-N 3.13Å; E106-R110 VanDerWaalsContact CD-NH2 3.27Å; E106-R110 WeakPolarHBondContact O-CG 3.25Å; E106-R110 PolarHBondContact O-N 2.97Å; E106-R110 IonicContact OE1-CZ 2.75Å; E106-R110 IonicContact OE1-NE 3.71Å; E106-R110 IonicContact OE1-NH2 3.66Å; E106-R110 PolarHBondContact OE1-NH2 2.75Å; E106-R110 IonicContact OE2-NH2 3.9Å
107K85.8Confident86.1Confident130 Ų130103.8 Ų103.857%0.56551%0.513SS*.Hα-helixtrans-60-48.5176.1-172.8-176.9175-170.50111R103 D104 A109 R110 D111R103-K107 WeakPolarHBondContact O-CB 3.22Å; R103-K107 PolarHBondContact O-N 2.73Å; D104-K107 PolarHBondContact O-N 2.83Å; K107-A109 VanDerWaalsContact C-N 3.3Å; K107-A109 PolarHBondContact O-N 3.43Å; K107-R110 WeakPolarHBondContact O-CB 3.33Å; K107-R110 PolarHBondContact O-N 3.37Å; K107-R110 VanDerWaalsContact O-N 3.14Å; K107-D111 PolarHBondContact O-N 3Å
108Q83.1Confident85.6Confident125 Ų125106.3 Ų106.358%0.58452%0.523SS*.Hα-helixtrans-61.4-38.6178-168.2178.721.700112.1D104 M112D104-Q108 VanDerWaalsContact O-CB 3.25Å; D104-Q108 WeakPolarHBondContact O-CB 3.34Å; D104-Q108 PolarHBondContact O-N 3.26Å; Q108-M112 HydrophobicContact CG-CE 4.49Å; Q108-M112 WeakPolarHBondContact O-CB 3.22Å; Q108-M112 VanDerWaalsContact O-CG 3.32Å; Q108-M112 WeakPolarHBondContact O-CG 3.41Å; Q108-M112 PolarHBondContact O-N 3.17Å
109A87.3Confident84.9Confident51 Ų51103.4 Ų103.442%0.42152%0.518SS..Hα-helixtrans-66-40.2175.200000112.3K105 E106 K107 A113K105-A109 VanDerWaalsContact O-CB 3.31Å; K105-A109 WeakPolarHBondContact O-CB 3.49Å; K105-A109 PolarHBondContact O-N 3.27Å; E106-A109 PolarHBondContact O-N 3.13Å; K107-A109 VanDerWaalsContact C-N 3.3Å; K107-A109 PolarHBondContact O-N 3.43Å; A109-A113 WeakPolarHBondContact O-CB 3.5Å; A109-A113 PolarHBondContact O-N 3.1Å
110R85.5Confident83.9Confident153 Ų153103.6 Ų103.658%0.57752%0.52SS*.Hα-helixtrans-64-48.5174.7-71.6175.7-172.3-173.53.4111.3E106 K107 M112 A113 E114E106-R110 VanDerWaalsContact CD-NH2 3.27Å; E106-R110 WeakPolarHBondContact O-CG 3.25Å; E106-R110 PolarHBondContact O-N 2.97Å; E106-R110 IonicContact OE1-CZ 2.75Å; E106-R110 IonicContact OE1-NE 3.71Å; E106-R110 IonicContact OE1-NH2 3.66Å; E106-R110 PolarHBondContact OE1-NH2 2.75Å; E106-R110 IonicContact OE2-NH2 3.9Å; K107-R110 WeakPolarHBondContact O-CB 3.33Å; K107-R110 PolarHBondContact O-N 3.37Å; K107-R110 VanDerWaalsContact O-N 3.14Å; R110-M112 VanDerWaalsContact C-N 3.3Å; R110-M112 PolarHBondContact O-N 3.36Å; R110-A113 PolarHBondContact O-N 3.4Å; R110-A113 VanDerWaalsContact O-N 3.1Å; R110-E114 WeakPolarHBondContact O-CB 3.42Å; R110-E114 PolarHBondContact O-N 3.02Å
111D85.5Confident83Confident81 Ų81107.7 Ų107.743%0.43354%0.542SS..Hα-helixtrans-60.9-40.4179.1-62.9-10.2000110.9K107 E114 A115K107-D111 PolarHBondContact O-N 3Å; D111-E114 PolarHBondContact O-N 3.19Å; D111-A115 WeakPolarHBondContact O-CB 3.07Å; D111-A115 PolarHBondContact O-N 3.4Å
112M84.2Confident81.9Confident119 Ų119111 Ų11159%0.58655%0.55SS**Hα-helixtrans-65.9-39.5173.6-77.3-166.5-61.800113Q108 R110 H116Q108-M112 HydrophobicContact CG-CE 4.49Å; Q108-M112 WeakPolarHBondContact O-CB 3.22Å; Q108-M112 VanDerWaalsContact O-CG 3.32Å; Q108-M112 WeakPolarHBondContact O-CG 3.41Å; Q108-M112 PolarHBondContact O-N 3.17Å; R110-M112 VanDerWaalsContact C-N 3.3Å; R110-M112 PolarHBondContact O-N 3.36Å; M112-H116 WeakPolarHBondContact O-CB 3.47Å; M112-H116 PolarHBondContact O-N 3.3Å
113A85.1Confident80.5Confident61 Ų61115.4 Ų115.450%0.50456%0.558SS.*Hα-helixtrans-67.4-38.6177.500000111.7A109 R110 H116 K117A109-A113 WeakPolarHBondContact O-CB 3.5Å; A109-A113 PolarHBondContact O-N 3.1Å; R110-A113 PolarHBondContact O-N 3.4Å; R110-A113 VanDerWaalsContact O-N 3.1Å; A113-H116 PolarHBondContact O-N 3.1Å; A113-K117 WeakPolarHBondContact O-CB 3.5Å; A113-K117 PolarHBondContact O-N 3.41Å
114E85.9Confident79.1Confident117 Ų117112.3 Ų112.355%0.54755%0.553SS.*Hα-helixtrans-66-47.8174.6-173165.3-161.400111.2R110 D111 H116 K117 E118R110-E114 WeakPolarHBondContact O-CB 3.42Å; R110-E114 PolarHBondContact O-N 3.02Å; D111-E114 PolarHBondContact O-N 3.19Å; E114-H116 VanDerWaalsContact C-N 3.29Å; E114-H116 PolarHBondContact O-N 2.95Å; E114-K117 CarbonylContact O-C 3.58Å; E114-K117 WeakPolarHBondContact O-CA 3.41Å; E114-K117 WeakPolarHBondContact O-CB 3.5Å; E114-K117 PolarHBondContact O-N 3.26Å; E114-E118 WeakPolarHBondContact O-CG 3.35Å; E114-E118 PolarHBondContact O-N 3.48Å
115A82.1Confident77.4Confident54 Ų54113.5 Ų113.545%0.44656%0.559SS.*Hα-helixtrans-59.3-38.917500000112.5D111 A119D111-A115 WeakPolarHBondContact O-CB 3.07Å; D111-A115 PolarHBondContact O-N 3.4Å; A115-A119 WeakPolarHBondContact O-CB 3.3Å; A115-A119 PolarHBondContact O-N 2.78Å
116H78.1Confident75.5Confident131 Ų131112.1 Ų112.161%0.60656%0.555SS**Hα-helixtrans-65.9-41.1174.4-176.1-83.6000111.8M112 A113 E114 A119 M120M112-H116 WeakPolarHBondContact O-CB 3.47Å; M112-H116 PolarHBondContact O-N 3.3Å; A113-H116 PolarHBondContact O-N 3.1Å; E114-H116 VanDerWaalsContact C-N 3.29Å; E114-H116 PolarHBondContact O-N 2.95Å; H116-A119 PolarHBondContact O-N 2.98Å; H116-M120 WeakPolarHBondContact O-CB 3.41Å; H116-M120 PolarHBondContact O-N 2.91Å
117K80.5Confident73.7Confident161 Ų161110.7 Ų110.770%0.756%0.556SS**Hα-helixtrans-64.7-42.6177.1-169.6178.7179.2-174.30111.5A113 E114 M120 N121A113-K117 WeakPolarHBondContact O-CB 3.5Å; A113-K117 PolarHBondContact O-N 3.41Å; E114-K117 CarbonylContact O-C 3.58Å; E114-K117 WeakPolarHBondContact O-CA 3.41Å; E114-K117 WeakPolarHBondContact O-CB 3.5Å; E114-K117 PolarHBondContact O-N 3.26Å; K117-M120 PolarHBondContact O-N 2.69Å; K117-N121 WeakPolarHBondContact O-CB 3.17Å; K117-N121 PolarHBondContact O-N 3.16Å
118E79.8Confident71.8Confident127 Ų127112.4 Ų112.459%0.59357%0.566SS**Hα-helixtrans-63.2-44173.9-72.3-171.5154.800112.1E114 M120 N121 R122E114-E118 WeakPolarHBondContact O-CG 3.35Å; E114-E118 PolarHBondContact O-N 3.48Å; E118-M120 VanDerWaalsContact C-N 3.32Å; E118-M120 PolarHBondContact O-N 3.15Å; E118-N121 PolarHBondContact O-N 3.43Å; E118-R122 WeakPolarHBondContact O-CB 3.41Å; E118-R122 PolarHBondContact O-N 2.78Å
119A76.1Confident69.9Low52 Ų52111.1 Ų111.143%0.4357%0.571SS.*Hα-helixtrans-62.8-38.3176.300000112.3A115 H116 K123A115-A119 WeakPolarHBondContact O-CB 3.3Å; A115-A119 PolarHBondContact O-N 2.78Å; H116-A119 PolarHBondContact O-N 2.98Å; A119-K123 WeakPolarHBondContact O-CG 3.38Å; A119-K123 PolarHBondContact O-N 2.85Å; A119-K123 VanDerWaalsContact O-N 3.13Å
120M70.1Confident68Low110 Ų110114.5 Ų114.554%0.54258%0.578SS.*Hα-helixtrans-70-40.4176.2-169.8156.7177.400111.8H116 K117 E118 R122 K123 L124H116-M120 WeakPolarHBondContact O-CB 3.41Å; H116-M120 PolarHBondContact O-N 2.91Å; K117-M120 PolarHBondContact O-N 2.69Å; E118-M120 VanDerWaalsContact C-N 3.32Å; E118-M120 PolarHBondContact O-N 3.15Å; M120-R122 VanDerWaalsContact C-N 3.34Å; M120-R122 PolarHBondContact O-N 3.03Å; M120-K123 PolarHBondContact O-N 3.41Å; M120-L124 HydrophobicContact CG-CD1 4.24Å; M120-L124 WeakPolarHBondContact O-CG 3.21Å; M120-L124 PolarHBondContact O-N 3.25Å
121N69.9Low66.4Low113 Ų113109.7 Ų109.760%0.60458%0.576SS**Hα-helixtrans-63.7-40.4175.3-160.841.1000111.7K117 E118 K123 L124 D125K117-N121 WeakPolarHBondContact O-CB 3.17Å; K117-N121 PolarHBondContact O-N 3.16Å; E118-N121 PolarHBondContact O-N 3.43Å; N121-K123 VanDerWaalsContact C-N 3.29Å; N121-K123 PolarHBondContact O-N 2.82Å; N121-L124 PolarHBondContact O-N 3.36Å; N121-D125 WeakPolarHBondContact O-CB 3.35Å; N121-D125 PolarHBondContact O-N 2.78Å
122R66.1Low65.1Low181 Ų181111.6 Ų111.668%0.68359%0.593SS**Hα-helixtrans-66.6-29.1176-159.5175.6-177.8-166.70113.1E118 M120 Q126E118-R122 WeakPolarHBondContact O-CB 3.41Å; E118-R122 PolarHBondContact O-N 2.78Å; M120-R122 VanDerWaalsContact C-N 3.34Å; M120-R122 PolarHBondContact O-N 3.03Å; R122-Q126 WeakPolarHBondContact O-CG 2.95Å; R122-Q126 PolarHBondContact O-N 3.33Å
123K59.5Low64.1Low153 Ų153108.3 Ų108.367%0.66558%0.58SS**Hα-helixtrans-73.6-37171.3-76.2-177.4-179.3-174.10112.4A119 M120 N121 Q126 S127A119-K123 WeakPolarHBondContact O-CG 3.38Å; A119-K123 PolarHBondContact O-N 2.85Å; A119-K123 VanDerWaalsContact O-N 3.13Å; M120-K123 PolarHBondContact O-N 3.41Å; N121-K123 VanDerWaalsContact C-N 3.29Å; N121-K123 PolarHBondContact O-N 2.82Å; K123-Q126 PolarHBondContact O-N 3.01Å; K123-S127 PolarHBondContact O-N 3.13Å; K123-S127 VanDerWaalsContact O-N 3.14Å; K123-S127 PolarHBondContact O-OG 3.47Å
124L55.9Low63.6Low89 Ų89111.9 Ų111.947%0.46659%0.587SS.*Hα-helixtrans-66.7-43175.9-75.4156.3000111.3M120 N121 Q126 S127 E128M120-L124 HydrophobicContact CG-CD1 4.24Å; M120-L124 WeakPolarHBondContact O-CG 3.21Å; M120-L124 PolarHBondContact O-N 3.25Å; N121-L124 PolarHBondContact O-N 3.36Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 2.73Å; L124-S127 WeakPolarHBondContact CA-OG 3.48Å; L124-S127 PolarHBondContact O-N 3.26Å; L124-S127 PolarHBondContact O-OG 3.19Å; L124-E128 PolarHBondContact O-N 3.44Å; L124-E128 VanDerWaalsContact O-N 3.11Å
125D49.8Very low63.4Low115 Ų115107.1 Ų107.162%0.61557%0.567SS**Hα-helixtrans-63.8-35.6175.7-166.728.1000112.4N121 S127 E128N121-D125 WeakPolarHBondContact O-CB 3.35Å; N121-D125 PolarHBondContact O-N 2.78Å; D125-S127 VanDerWaalsContact C-N 3.32Å; D125-S127 PolarHBondContact O-N 3.37Å; D125-E128 PolarHBondContact O-N 2.96Å
126Q49.3Very low63.7Low129 Ų129105.3 Ų105.360%0.60355%0.549SS*.Hα-helixtrans-69.5-26.6171.4-76.9175.623.500113.6R122 K123 L124R122-Q126 WeakPolarHBondContact O-CG 2.95Å; R122-Q126 PolarHBondContact O-N 3.33Å; K123-Q126 PolarHBondContact O-N 3.01Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 2.73Å
127S47.9Very low64.2Low72 Ų7299 Ų9950%0.50352%0.52SS..Hα-helixtrans-81.4-22.2176.157.80000114K123 L124 D125K123-S127 PolarHBondContact O-N 3.13Å; K123-S127 VanDerWaalsContact O-N 3.14Å; K123-S127 PolarHBondContact O-OG 3.47Å; L124-S127 WeakPolarHBondContact CA-OG 3.48Å; L124-S127 PolarHBondContact O-N 3.26Å; L124-S127 PolarHBondContact O-OG 3.19Å; D125-S127 VanDerWaalsContact C-N 3.32Å; D125-S127 PolarHBondContact O-N 3.37Å
128E46.1Very low64.7Low167 Ų16794.1 Ų94.178%0.7850%0.499SS*.Hα-helixtrans-84.1-12.4175.2-71-159.8101.100113.8L124 D125L124-E128 PolarHBondContact O-N 3.44Å; L124-E128 VanDerWaalsContact O-N 3.11Å; D125-E128 PolarHBondContact O-N 2.96Å
129S43.7Very low65.3Low98 Ų9888.1 Ų88.169%0.68547%0.471SS*.SBendtrans-84-10.1171.9-170.80000113.8G131S129-G131 PolarHBondContact O-N 2.85Å
130Q46.3Very low66Low121 Ų12189.5 Ų89.557%0.56547%0.471SS*.SBendtrans-86.596.4166.9-63-70.7-81.700107.5
131G51.8Low66.9Low53 Ų5386.9 Ų86.955%0.54646%0.464SS..  trans-50.9174.7163.300000111.8S129S129-G131 PolarHBondContact O-N 2.85Å
132P58.5Low68Low120 Ų12083.1 Ų83.178%0.77944%0.443SS*.SBendtrans-47.9138.9-179.121.4-32.9000110.5Q134P132-Q134 PolarHBondContact O-N 3.49Å
133P62.9Low69.2Low50 Ų5076.8 Ų76.833%0.32543%0.426SS..  trans-48.3102.4-17627.1-41.8000110.1A135 V160 I193P133-A135 PolarHBondContact O-N 3.41Å; P133-V160 HydrophobicContact CB-CG1 3.87Å; P133-V160 HydrophobicContact CB-CG2 4.22Å; P133-I193 HydrophobicContact CB-CD1 4.19Å; P133-I193 HydrophobicContact CG-CD1 3.86Å
134Q74.9Confident70.5Confident137 Ų13775.3 Ų75.364%0.6443%0.433SS*.  trans-76128.4-177.9-168.8171.3700107.8P132 T167P132-Q134 PolarHBondContact O-N 3.49Å; Q134-T167 HydrophobicContact CB-CG2 4.13Å; Q134-T167 WeakPolarHBondContact O-CG2 3.35Å
135A82.8Confident71.9Confident16 Ų1673.6 Ų73.613%0.13244%0.437CS..  trans-82.6137.3170.400000109.6P133 E158 I159 V160 L221P133-A135 PolarHBondContact O-N 3.41Å; A135-E158 HydrophobicContact CB-CB 3.59Å; A135-E158 HydrophobicContact CB-CG 4.35Å; A135-I159 CarbonylContact C-O 3.54Å; A135-I159 VanDerWaalsContact CA-O 3.28Å; A135-I159 WeakPolarHBondContact CA-O 3.37Å; A135-V160 HydrophobicContact CB-CG2 4.47Å; A135-L221 HydrophobicContact CB-CD1 3.69Å
136F87.7Confident73.8Confident16 Ų1668.1 Ų68.17%0.0741%0.408CS..  trans-102.8-17.5179.665-97.8000112.8I159 V160 F162 V165 T167 F170 I176 L221F136-I159 HydrophobicContact CE1-CG2 4.14Å; F136-I159 HydrophobicContact CZ-CG2 3.86Å; F136-I159 PolarHBondContact N-O 3.09Å; F136-V160 VanDerWaalsContact CE1-O 3.29Å; F136-V160 WeakPolarHBondContact CE1-O 3.44Å; F136-F162 HydrophobicContact CZ-CB 4.21Å; F136-V165 HydrophobicContact CE2-CG1 4.29Å; F136-V165 HydrophobicContact CZ-CG1 3.95Å; F136-T167 HydrophobicContact CB-CG2 4.26Å; F136-T167 HydrophobicContact CD1-CG2 4.06Å; F136-F170 HydrophobicContact CB-CB 4.34Å; F136-F170 HydrophobicContact CB-CD1 3.83Å; F136-F170 HydrophobicContact CB-CE1 4.36Å; F136-F170 HydrophobicContact CB-CG 4.13Å; F136-F170 HydrophobicContact CD2-CB 3.9Å; F136-F170 AromaticContact CD2-CD1 3.56Å; F136-F170 HydrophobicContact CD2-CD1 3.56Å; F136-F170 AromaticContact CD2-CD2 3.27Å; F136-F170 HydrophobicContact CD2-CD2 3.27Å; F136-F170 AromaticContact CD2-CE1 3.8Å; F136-F170 HydrophobicContact CD2-CE1 3.8Å; F136-F170 AromaticContact CD2-CE2 3.54Å; F136-F170 HydrophobicContact CD2-CE2 3.54Å; F136-F170 AromaticContact CD2-CG 3.27Å; F136-F170 HydrophobicContact CD2-CG 3.27Å; F136-F170 AromaticContact CD2-CZ 3.79Å; F136-F170 HydrophobicContact CD2-CZ 3.79Å; F136-F170 HydrophobicContact CE2-CB 4.31Å; F136-F170 HydrophobicContact CE2-CD1 4.44Å; F136-F170 AromaticContact CE2-CD2 3.31Å; F136-F170 HydrophobicContact CE2-CD2 3.31Å; F136-F170 AromaticContact CE2-CE2 3.6Å; F136-F170 HydrophobicContact CE2-CE2 3.6Å; F136-F170 AromaticContact CE2-CG 3.78Å; F136-F170 HydrophobicContact CE2-CG 3.78Å; F136-F170 HydrophobicContact CE2-CZ 4.28Å; F136-F170 HydrophobicContact CG-CB 4.02Å; F136-F170 AromaticContact CG-CD1 3.99Å; F136-F170 HydrophobicContact CG-CD1 3.99Å; F136-F170 HydrophobicContact CG-CD2 4.22Å; F136-F170 AromaticContact CG-CG 3.81Å; F136-F170 HydrophobicContact CG-CG 3.81Å; F136-F170 HydrophobicContact CZ-CD2 4.28Å; F136-I176 HydrophobicContact CE2-CD1 3.98Å; F136-I176 HydrophobicContact CE2-CG1 4.42Å; F136-L221 PolarHBondContact O-N 3.33Å
137A88.4Confident75.8Confident0 Ų062.4 Ų62.40%038%0.381CS..EExtended strand (participates in β ladder)trans-145.4158.2-179.800000111.4E158 I159 I218 I219 L221A137-E158 CarbonylContact O-C 3.59Å; A137-I159 HydrophobicContact CB-CB 4.39Å; A137-I159 HydrophobicContact CB-CD1 4.41Å; A137-I159 PolarHBondContact O-N 3.21Å; A137-I218 HydrophobicContact CB-CG2 3.58Å; A137-I219 CarbonylContact C-O 3.59Å; A137-I219 VanDerWaalsContact CA-O 3.31Å; A137-I219 WeakPolarHBondContact CA-O 3.17Å; A137-L221 WeakPolarHBondContact O-CD1 3.38Å
138K91.3Very high77.9Confident58 Ų5859 Ų5925%0.25236%0.357SS..EExtended strand (participates in β ladder)trans-130.2144.4178.9170.7173.3156.6160.90110.4D156 D157 I218 I219 L221K138-D156 WeakPolarHBondContact CE-OD1 3.42Å; K138-D156 IonicContact NZ-OD1 3.55Å; K138-D156 PolarHBondContact NZ-OD1 2.95Å; K138-D157 WeakPolarHBondContact CA-O 3.46Å; K138-I218 WeakPolarHBondContact O-CA 3.34Å; K138-I219 HydrophobicContact CB-CG1 4.27Å; K138-I219 PolarHBondContact N-O 3.35Å; K138-I219 WeakPolarHBondContact O-CG1 3.41Å; K138-I219 PolarHBondContact O-N 3.03Å; K138-L221 HydrophobicContact CB-CD1 4.11Å; K138-L221 HydrophobicContact CB-CD2 3.98Å; K138-L221 HydrophobicContact CB-CG 3.89Å; K138-L221 HydrophobicContact CD-CD2 4.39Å
139V91.8Very high80Confident0 Ų053.3 Ų53.30%034%0.337CS..EExtended strand (participates in β ladder)trans-83.4118.9176-174.70000109.8I142 L153 Q154 D156 D157 I159 C216V139-I142 HydrophobicContact CG1-CD1 3.87Å; V139-I142 HydrophobicContact CG1-CG1 3.58Å; V139-L153 HydrophobicContact CG1-CD2 4.22Å; V139-L153 HydrophobicContact CG2-CD1 4.4Å; V139-L153 HydrophobicContact CG2-CD2 3.7Å; V139-L153 HydrophobicContact CG2-CG 4.02Å; V139-Q154 WeakPolarHBondContact CB-O 3.28Å; V139-D156 PolarHBondContact O-N 3.38Å; V139-D157 HydrophobicContact CG2-CB 4.13Å; V139-D157 PolarHBondContact N-O 3.31Å; V139-I159 HydrophobicContact CG2-CD1 4.05Å; V139-I159 HydrophobicContact CG2-CG1 4.29Å; V139-C216 HydrophobicContact CG1-CB 4.47Å
140N90.8Very high82.2Confident81 Ų8155.1 Ų55.143%0.43334%0.337SS..EExtended strand (participates in β ladder)trans-92.2-37.8-178.5-175.646.4000112.6V155 N217 I219N140-V155 WeakPolarHBondContact O-CG1 3.5Å; N140-N217 HydrophobicContact CB-CB 4.47Å; N140-N217 PolarHBondContact N-O 3.04Å; N140-N217 PolarHBondContact ND2-ND2 3.04Å; N140-I219 HydrophobicContact CB-CD1 4.22Å; N140-I219 HydrophobicContact CB-CG1 4.26Å; N140-I219 HydrophobicContact CB-CG2 4.13Å
141S90.5Very high84.3Confident56 Ų5650.1 Ų50.139%0.39232%0.317SS..EExtended strand (participates in β ladder)trans-155.2151.9177.365.50000111.8C216 N217S141-C216 CarbonylContact O-C 3.6Å; S141-C216 VanDerWaalsContact O-CA 3.3Å; S141-C216 WeakPolarHBondContact O-CA 3.2Å; S141-N217 PolarHBondContact O-N 3.27Å; S141-N217 VanDerWaalsContact OG-CB 3.28Å; S141-N217 WeakPolarHBondContact OG-CB 3.4Å
142I91.8Very high86.1Confident34 Ų3449.1 Ų49.117%0.17431%0.306CS..EExtended strand (participates in β ladder)trans-132.3133.7178.3-57.2178.2000108.3V139 A148 L153 Q154 V155 C216V139-I142 HydrophobicContact CG1-CD1 3.87Å; V139-I142 HydrophobicContact CG1-CG1 3.58Å; I142-A148 HydrophobicContact CG2-CB 4.37Å; I142-L153 HydrophobicContact CD1-CB 3.88Å; I142-L153 HydrophobicContact CD1-CD2 4.21Å; I142-L153 HydrophobicContact CD1-CG 4.08Å; I142-L153 WeakPolarHBondContact CD1-O 3.48Å; I142-Q154 VanDerWaalsContact CD1-CA 3.49Å; I142-V155 HydrophobicContact CG1-CG2 4.39Å; I142-C216 HydrophobicContact CG1-CB 4.12Å
143S90.8Very high87.7Confident47 Ų4743.8 Ų43.833%0.32927%0.271SS..  trans-83.4135.8174.9-64.70000111.2S146 G215S143-S146 WeakPolarHBondContact O-CB 3.47Å; S143-S146 PolarHBondContact O-N 3.23Å; S143-S146 PolarHBondContact O-OG 3.44Å; S143-G215 WeakPolarHBondContact CB-O 3.35Å; S143-G215 PolarHBondContact N-O 2.91Å
144P88.1Confident89Confident122 Ų12246.1 Ų46.179%0.79228%0.277SS*.THydrogen-bonded Turntrans-64139.617926.6-33.9000110.9S146P144-S146 PolarHBondContact O-N 3.26Å
145G85.5Confident89.9Confident54 Ų5443.1 Ų43.156%0.55727%0.268SS*.THydrogen-bonded Turntrans70.89.4-177.400000114.6
146S90.1Very high90.2Very high0 Ų047 Ų470%029%0.287CS..SBendtrans-78.5159.3172.1680000112.3S143 P144 A148 S149 I150 L214S143-S146 WeakPolarHBondContact O-CB 3.47Å; S143-S146 PolarHBondContact O-N 3.23Å; S143-S146 PolarHBondContact O-OG 3.44Å; P144-S146 PolarHBondContact O-N 3.26Å; S146-A148 PolarHBondContact O-N 3.04Å; S146-S149 WeakPolarHBondContact O-CB 3.27Å; S146-S149 PolarHBondContact O-N 3.26Å; S146-S149 PolarHBondContact OG-N 3.44Å; S146-I150 WeakPolarHBondContact O-CG1 3.05Å; S146-I150 PolarHBondContact O-N 3.41Å; S146-L214 WeakPolarHBondContact CB-O 3.42Å; S146-L214 PolarHBondContact OG-O 3.04Å
147P90.9Very high90.4Very high8 Ų846.3 Ų46.35%0.05228%0.284CS..Hα-helixtrans-55.8-35.1175.3-27.936.5000113.9A151 V204 T206 W208 L214P147-A151 VanDerWaalsContact O-CB 3.25Å; P147-A151 WeakPolarHBondContact O-CB 3.19Å; P147-A151 PolarHBondContact O-N 3.24Å; P147-V204 WeakPolarHBondContact CB-O 3.44Å; P147-T206 VanDerWaalsContact CG-OG1 3.27Å; P147-T206 WeakPolarHBondContact CG-OG1 3.45Å; P147-W208 HydrophobicContact CG-CB 4.34Å; P147-W208 HydrophobicContact CG-CG 4.3Å; P147-L214 WeakPolarHBondContact CD-O 3.42Å
148A90.6Very high90.5Very high0 Ų049.5 Ų49.50%030%0.299CS..Hα-helixtrans-66.8-40.2174.600000112.6I142 S146 A151 G152 L153 L203 L214 C216I142-A148 HydrophobicContact CG2-CB 4.37Å; S146-A148 PolarHBondContact O-N 3.04Å; A148-A151 PolarHBondContact O-N 2.94Å; A148-G152 PolarHBondContact O-N 3.45Å; A148-L153 HydrophobicContact CB-CB 4.35Å; A148-L153 HydrophobicContact CB-CD2 4.01Å; A148-L153 WeakPolarHBondContact O-CB 3.42Å; A148-L153 PolarHBondContact O-N 3.25Å; A148-L153 VanDerWaalsContact O-N 3.09Å; A148-L203 HydrophobicContact CB-CD1 4.24Å; A148-L214 VanDerWaalsContact CB-O 3.29Å; A148-L214 WeakPolarHBondContact CB-O 3.5Å; A148-L214 PolarHBondContact N-O 2.98Å; A148-C216 HydrophobicContact CB-CB 3.76Å
149S90.9Very high90.4Very high49 Ų4946.7 Ų46.734%0.34329%0.287SS..Hα-helixtrans-65.6-42.9175.8179.40000111.8S146 A151 G152S146-S149 WeakPolarHBondContact O-CB 3.27Å; S146-S149 PolarHBondContact O-N 3.26Å; S146-S149 PolarHBondContact OG-N 3.44Å; S149-A151 VanDerWaalsContact C-N 3.29Å; S149-A151 PolarHBondContact O-N 3.48Å; S149-G152 PolarHBondContact O-N 3.39Å; S149-G152 VanDerWaalsContact O-N 3.1Å
150I90.5Very high90.3Very high135 Ų13547.6 Ų47.669%0.69229%0.292SS*.Hα-helixtrans-65.7-35.4178.1-63.5163.7000110.8S146 G152S146-I150 WeakPolarHBondContact O-CG1 3.05Å; S146-I150 PolarHBondContact O-N 3.41Å; I150-G152 PolarHBondContact O-N 2.91Å
151A89.3Confident90.2Very high17 Ų1747.7 Ų47.714%0.1429%0.29CS..THydrogen-bonded Turntrans-69.6-6.7175.300000114P147 A148 S149 R202 L203P147-A151 VanDerWaalsContact O-CB 3.25Å; P147-A151 WeakPolarHBondContact O-CB 3.19Å; P147-A151 PolarHBondContact O-N 3.24Å; A148-A151 PolarHBondContact O-N 2.94Å; S149-A151 VanDerWaalsContact C-N 3.29Å; S149-A151 PolarHBondContact O-N 3.48Å; A151-R202 WeakPolarHBondContact CB-O 3.26Å; A151-L203 HydrophobicContact CB-CB 3.89Å; A151-L203 HydrophobicContact CB-CD1 4.36Å; A151-L203 HydrophobicContact CB-CG 4.11Å
152G90.3Very high90.1Very high31 Ų3145.1 Ų45.132%0.3227%0.272SS..THydrogen-bonded Turntrans83.815.5179.100000114.7A148 S149 I150 R194A148-G152 PolarHBondContact O-N 3.45Å; S149-G152 PolarHBondContact O-N 3.39Å; S149-G152 VanDerWaalsContact O-N 3.1Å; I150-G152 PolarHBondContact O-N 2.91Å; G152-R194 PolarHBondContact O-NH2 3.05Å
153L91.3Very high89.8Confident9 Ų944.4 Ų44.45%0.04727%0.273CS..  trans-67.7141.5172.3-155.676.3000109.2V139 I142 A148 V192 L201 C216V139-L153 HydrophobicContact CG1-CD2 4.22Å; V139-L153 HydrophobicContact CG2-CD1 4.4Å; V139-L153 HydrophobicContact CG2-CD2 3.7Å; V139-L153 HydrophobicContact CG2-CG 4.02Å; I142-L153 HydrophobicContact CD1-CB 3.88Å; I142-L153 HydrophobicContact CD1-CD2 4.21Å; I142-L153 HydrophobicContact CD1-CG 4.08Å; I142-L153 WeakPolarHBondContact CD1-O 3.48Å; A148-L153 HydrophobicContact CB-CB 4.35Å; A148-L153 HydrophobicContact CB-CD2 4.01Å; A148-L153 WeakPolarHBondContact O-CB 3.42Å; A148-L153 PolarHBondContact O-N 3.25Å; A148-L153 VanDerWaalsContact O-N 3.09Å; L153-V192 HydrophobicContact CD1-CG1 3.89Å; L153-L201 HydrophobicContact CB-CD1 4.45Å; L153-L201 HydrophobicContact CD1-CD1 3.76Å; L153-C216 HydrophobicContact CD2-CB 4.25Å
154Q91.6Very high89.5Confident98 Ų9846.8 Ų46.846%0.45829%0.289SS..  trans-122.7160179-69.9-178.5-2.700111.7V139 I142 D157 R194V139-Q154 WeakPolarHBondContact CB-O 3.28Å; I142-Q154 VanDerWaalsContact CD1-CA 3.49Å; Q154-D157 PolarHBondContact N-OD2 3.46Å; Q154-D157 WeakPolarHBondContact O-CB 3.36Å; Q154-D157 PolarHBondContact O-N 2.94Å; Q154-R194 VanDerWaalsContact CG-NH2 3.32Å; Q154-R194 VanDerWaalsContact OE1-NE 3.13Å
155V92.1Very high89.3Confident75 Ų7541.2 Ų41.246%0.45525%0.253SS..THydrogen-bonded Turntrans-64.7143.3171.3-179.30000108.2N140 I142 D157N140-V155 WeakPolarHBondContact O-CG1 3.5Å; I142-V155 HydrophobicContact CG1-CG2 4.39Å; V155-D157 PolarHBondContact O-N 3.44Å
156D90.2Very high89.1Confident98 Ų9841 Ų4152%0.52424%0.239SC..THydrogen-bonded Turntrans71.74.3-174.3-59.2-61000116.3K138 V139 E158K138-D156 WeakPolarHBondContact CE-OD1 3.42Å; K138-D156 IonicContact NZ-OD1 3.55Å; K138-D156 PolarHBondContact NZ-OD1 2.95Å; V139-D156 PolarHBondContact O-N 3.38Å; D156-E158 PolarHBondContact O-N 2.96Å
157D91.3Very high88.5Confident1 Ų143.4 Ų43.41%0.00525%0.254CS..PPolyproline II helixtrans-63.4129.9170.7-79.6-11.2000110.7K138 V139 Q154 V155 V192 R194K138-D157 WeakPolarHBondContact CA-O 3.46Å; V139-D157 HydrophobicContact CG2-CB 4.13Å; V139-D157 PolarHBondContact N-O 3.31Å; Q154-D157 PolarHBondContact N-OD2 3.46Å; Q154-D157 WeakPolarHBondContact O-CB 3.36Å; Q154-D157 PolarHBondContact O-N 2.94Å; V155-D157 PolarHBondContact O-N 3.44Å; D157-V192 HydrophobicContact CB-CB 4.13Å; D157-V192 HydrophobicContact CB-CG1 4.32Å; D157-V192 HydrophobicContact CB-CG2 4.34Å; D157-R194 IonicContact OD1-CZ 3.55Å; D157-R194 IonicContact OD1-NE 2.81Å; D157-R194 PolarHBondContact OD1-NE 2.78Å; D157-R194 IonicContact OD1-NH2 3.41Å; D157-R194 PolarHBondContact OD1-NH2 3.35Å; D157-R194 IonicContact OD2-CZ 3.7Å; D157-R194 IonicContact OD2-NE 3.73Å; D157-R194 IonicContact OD2-NH2 2.81Å; D157-R194 PolarHBondContact OD2-NH2 3.48Å
158E90.8Very high87.7Confident66 Ų6649.8 Ų49.831%0.30828%0.283SS..EExtended strand (participates in β ladder)trans-95116.3177.8-72.4-169.2157.600110.1A135 A137 D156 V192 I193 L221A135-E158 HydrophobicContact CB-CB 3.59Å; A135-E158 HydrophobicContact CB-CG 4.35Å; A137-E158 CarbonylContact O-C 3.59Å; D156-E158 PolarHBondContact O-N 2.96Å; E158-V192 CarbonylContact O-C 3.54Å; E158-V192 WeakPolarHBondContact O-CA 3.4Å; E158-I193 HydrophobicContact CB-CB 4.2Å; E158-I193 PolarHBondContact N-O 3.34Å; E158-I193 VanDerWaalsContact N-O 3.08Å; E158-I193 PolarHBondContact O-N 2.84Å; E158-L221 HydrophobicContact CG-CD1 4.35Å
159I90.1Very high87.2Confident0 Ų052.9 Ų52.90%030%0.3CS..EExtended strand (participates in β ladder)trans-85.6121.2-174.3-55.3171.6000110A135 F136 A137 V139 F162 V190 V192 I218A135-I159 CarbonylContact C-O 3.54Å; A135-I159 VanDerWaalsContact CA-O 3.28Å; A135-I159 WeakPolarHBondContact CA-O 3.37Å; F136-I159 HydrophobicContact CE1-CG2 4.14Å; F136-I159 HydrophobicContact CZ-CG2 3.86Å; F136-I159 PolarHBondContact N-O 3.09Å; A137-I159 HydrophobicContact CB-CB 4.39Å; A137-I159 HydrophobicContact CB-CD1 4.41Å; A137-I159 PolarHBondContact O-N 3.21Å; V139-I159 HydrophobicContact CG2-CD1 4.05Å; V139-I159 HydrophobicContact CG2-CG1 4.29Å; I159-F162 HydrophobicContact CD1-CD2 4.46Å; I159-F162 HydrophobicContact CG2-CB 4.07Å; I159-F162 HydrophobicContact CG2-CD2 4.34Å; I159-V190 HydrophobicContact CG2-CG1 4.29Å; I159-V192 HydrophobicContact CG1-CG1 4.1Å; I159-I218 HydrophobicContact CD1-CD1 3.97Å; I159-I218 HydrophobicContact CD1-CG1 4.24Å; I159-I218 HydrophobicContact CD1-CG2 3.95Å
160V89Confident86.6Confident18 Ų1852.5 Ų52.511%0.10929%0.292CS..EExtended strand (participates in β ladder)trans-96.7-38.7176.4-179.20000110.9P133 A135 F136 T191 I193P133-V160 HydrophobicContact CB-CG1 3.87Å; P133-V160 HydrophobicContact CB-CG2 4.22Å; A135-V160 HydrophobicContact CB-CG2 4.47Å; F136-V160 VanDerWaalsContact CE1-O 3.29Å; F136-V160 WeakPolarHBondContact CE1-O 3.44Å; V160-T191 HydrophobicContact CB-CG2 4.49Å; V160-T191 PolarHBondContact N-O 3.46Å; V160-I193 HydrophobicContact CG2-CD1 3.39Å; V160-I193 HydrophobicContact CG2-CG1 3.58Å
161E88.7Confident86Confident84 Ų8454.2 Ų54.239%0.39330%0.297SS..EExtended strand (participates in β ladder)trans-145.8135.8-178.5-168.7-177128.200109.7V165 V190 T191E161-V165 WeakPolarHBondContact CA-O 3.42Å; E161-V190 CarbonylContact O-C 3.59Å; E161-V190 WeakPolarHBondContact O-CA 3.22Å; E161-V190 WeakPolarHBondContact O-CG1 3.35Å; E161-T191 PolarHBondContact N-O 2.91Å; E161-T191 PolarHBondContact O-N 3.05Å
162F87.9Confident85.7Confident1 Ų155.9 Ų55.90%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-132.893.8178.8-164.2-75.6000109.8F136 I159 S164 V165 I176 V180 L188 V190 L203 L214F136-F162 HydrophobicContact CZ-CB 4.21Å; I159-F162 HydrophobicContact CD1-CD2 4.46Å; I159-F162 HydrophobicContact CG2-CB 4.07Å; I159-F162 HydrophobicContact CG2-CD2 4.34Å; F162-S164 PolarHBondContact O-N 3.16Å; F162-S164 VanDerWaalsContact O-N 3.13Å; F162-V165 HydrophobicContact CB-CB 4.49Å; F162-V165 PolarHBondContact N-O 3.43Å; F162-V165 WeakPolarHBondContact O-CB 3.47Å; F162-V165 PolarHBondContact O-N 3.41Å; F162-I176 HydrophobicContact CD1-CG2 3.79Å; F162-I176 HydrophobicContact CD2-CG2 4.28Å; F162-I176 HydrophobicContact CE1-CG2 3.75Å; F162-I176 HydrophobicContact CE2-CG2 4.22Å; F162-I176 HydrophobicContact CG-CG2 4.08Å; F162-I176 HydrophobicContact CZ-CG2 3.97Å; F162-V180 HydrophobicContact CE1-CG2 3.49Å; F162-V180 VanDerWaalsContact CE1-CG2 3.49Å; F162-V180 HydrophobicContact CZ-CG2 3.77Å; F162-L188 HydrophobicContact CE1-CD1 4.04Å; F162-V190 HydrophobicContact CD2-CB 4.38Å; F162-V190 HydrophobicContact CD2-CG1 3.68Å; F162-V190 HydrophobicContact CD2-CG2 3.72Å; F162-V190 HydrophobicContact CE2-CG1 4.19Å; F162-V190 HydrophobicContact CE2-CG2 3.73Å; F162-V190 HydrophobicContact CG-CG1 4.46Å; F162-V190 HydrophobicContact CG-CG2 4.2Å; F162-V190 HydrophobicContact CZ-CG2 4.2Å; F162-L203 HydrophobicContact CZ-CD2 4.4Å; F162-L214 HydrophobicContact CZ-CD1 3.98Å
163G86.6Confident85.3Confident19 Ų1957.7 Ų57.720%0.19631%0.309CS..THydrogen-bonded Turntrans59.6-114.4-17600000111.3V165 N189G163-V165 VanDerWaalsContact C-N 3.34Å; G163-N189 WeakPolarHBondContact CA-O 3.47Å; G163-N189 PolarHBondContact N-O 3.3Å
164S83Confident84.9Confident97 Ų9764 Ų6468%0.67834%0.338SS*.THydrogen-bonded Turntrans-86.9-3.4176.1-520000113.6F162 N169F162-S164 PolarHBondContact O-N 3.16Å; F162-S164 VanDerWaalsContact O-N 3.13Å; S164-N169 PolarHBondContact O-ND2 3.42Å
165V84Confident84.5Confident5 Ų561.1 Ų61.13%0.0333%0.326CS..EExtended strand (participates in β ladder)trans-94.2126.8-179.3-176.10000109.8F136 E161 F162 G163 N169 F170 N175 V179F136-V165 HydrophobicContact CE2-CG1 4.29Å; F136-V165 HydrophobicContact CZ-CG1 3.95Å; E161-V165 WeakPolarHBondContact CA-O 3.42Å; F162-V165 HydrophobicContact CB-CB 4.49Å; F162-V165 PolarHBondContact N-O 3.43Å; F162-V165 WeakPolarHBondContact O-CB 3.47Å; F162-V165 PolarHBondContact O-N 3.41Å; G163-V165 VanDerWaalsContact C-N 3.34Å; V165-N169 WeakPolarHBondContact CA-OD1 3.25Å; V165-N169 WeakPolarHBondContact CG1-OD1 3.32Å; V165-F170 HydrophobicContact CG1-CB 4.09Å; V165-F170 HydrophobicContact CG1-CD2 3.96Å; V165-N175 HydrophobicContact CG2-CB 4.25Å; V165-V179 HydrophobicContact CG2-CG2 3.81Å
166N82.7Confident84.2Confident50 Ų5057.8 Ų57.827%0.26731%0.306SS..EExtended strand (participates in β ladder)trans-128.5176.4175.866.112.8000110Q168 N169 F170N166-Q168 PolarHBondContact O-N 3.41Å; N166-Q168 VanDerWaalsContact O-N 3.14Å; N166-Q168 WeakPolarHBondContact OD1-CA 3.28Å; N166-Q168 WeakPolarHBondContact OD1-CB 3.31Å; N166-Q168 PolarHBondContact OD1-N 3.42Å; N166-N169 PolarHBondContact N-OD1 2.79Å; N166-N169 PolarHBondContact O-N 2.85Å; N166-N169 PolarHBondContact O-OD1 3.02Å; N166-N169 PolarHBondContact OD1-N 2.87Å; N166-N169 PolarHBondContact OD1-ND2 2.98Å; N166-N169 PolarHBondContact OD1-OD1 3.33Å; N166-F170 WeakPolarHBondContact O-CB 3.49Å; N166-F170 PolarHBondContact O-N 3.35Å
167T77.1Confident84Confident51 Ų5155 Ų5531%0.31330%0.301SS..THydrogen-bonded Turntrans-54.8-29.6175.140.40000114.5Q134 F136Q134-T167 HydrophobicContact CB-CG2 4.13Å; Q134-T167 WeakPolarHBondContact O-CG2 3.35Å; F136-T167 HydrophobicContact CB-CG2 4.26Å; F136-T167 HydrophobicContact CD1-CG2 4.06Å
168Q74.6Confident83.7Confident141 Ų14156.6 Ų56.666%0.65931%0.311SS*.THydrogen-bonded Turntrans-79.7-26.8-176.3-56.2-179.41600112.6N166N166-Q168 PolarHBondContact O-N 3.41Å; N166-Q168 VanDerWaalsContact O-N 3.14Å; N166-Q168 WeakPolarHBondContact OD1-CA 3.28Å; N166-Q168 WeakPolarHBondContact OD1-CB 3.31Å; N166-Q168 PolarHBondContact OD1-N 3.42Å
169N78.4Confident83.6Confident66 Ų6654.6 Ų54.635%0.35330%0.304SS..THydrogen-bonded Turntrans-113.80-176.373.117.8000114.2S164 V165 N166 Q171 N175S164-N169 PolarHBondContact O-ND2 3.42Å; V165-N169 WeakPolarHBondContact CA-OD1 3.25Å; V165-N169 WeakPolarHBondContact CG1-OD1 3.32Å; N166-N169 PolarHBondContact N-OD1 2.79Å; N166-N169 PolarHBondContact O-N 2.85Å; N166-N169 PolarHBondContact O-OD1 3.02Å; N166-N169 PolarHBondContact OD1-N 2.87Å; N166-N169 PolarHBondContact OD1-ND2 2.98Å; N166-N169 PolarHBondContact OD1-OD1 3.33Å; N169-Q171 PolarHBondContact O-N 3.05Å; N169-N175 PolarHBondContact O-ND2 3.02Å
170F79.4Confident83.5Confident40 Ų4055 Ų5518%0.17531%0.306CS..  trans-74.8108177.2-179.3-103000110.9F136 V165 N166 S172 L173 I176 P220F136-F170 HydrophobicContact CB-CB 4.34Å; F136-F170 HydrophobicContact CB-CD1 3.83Å; F136-F170 HydrophobicContact CB-CE1 4.36Å; F136-F170 HydrophobicContact CB-CG 4.13Å; F136-F170 HydrophobicContact CD2-CB 3.9Å; F136-F170 AromaticContact CD2-CD1 3.56Å; F136-F170 HydrophobicContact CD2-CD1 3.56Å; F136-F170 AromaticContact CD2-CD2 3.27Å; F136-F170 HydrophobicContact CD2-CD2 3.27Å; F136-F170 AromaticContact CD2-CE1 3.8Å; F136-F170 HydrophobicContact CD2-CE1 3.8Å; F136-F170 AromaticContact CD2-CE2 3.54Å; F136-F170 HydrophobicContact CD2-CE2 3.54Å; F136-F170 AromaticContact CD2-CG 3.27Å; F136-F170 HydrophobicContact CD2-CG 3.27Å; F136-F170 AromaticContact CD2-CZ 3.79Å; F136-F170 HydrophobicContact CD2-CZ 3.79Å; F136-F170 HydrophobicContact CE2-CB 4.31Å; F136-F170 HydrophobicContact CE2-CD1 4.44Å; F136-F170 AromaticContact CE2-CD2 3.31Å; F136-F170 HydrophobicContact CE2-CD2 3.31Å; F136-F170 AromaticContact CE2-CE2 3.6Å; F136-F170 HydrophobicContact CE2-CE2 3.6Å; F136-F170 AromaticContact CE2-CG 3.78Å; F136-F170 HydrophobicContact CE2-CG 3.78Å; F136-F170 HydrophobicContact CE2-CZ 4.28Å; F136-F170 HydrophobicContact CG-CB 4.02Å; F136-F170 AromaticContact CG-CD1 3.99Å; F136-F170 HydrophobicContact CG-CD1 3.99Å; F136-F170 HydrophobicContact CG-CD2 4.22Å; F136-F170 AromaticContact CG-CG 3.81Å; F136-F170 HydrophobicContact CG-CG 3.81Å; F136-F170 HydrophobicContact CZ-CD2 4.28Å; V165-F170 HydrophobicContact CG1-CB 4.09Å; V165-F170 HydrophobicContact CG1-CD2 3.96Å; N166-F170 WeakPolarHBondContact O-CB 3.49Å; N166-F170 PolarHBondContact O-N 3.35Å; F170-S172 WeakPolarHBondContact CE2-O 3.49Å; F170-L173 HydrophobicContact CE2-CD2 4.36Å; F170-L173 HydrophobicContact CZ-CD2 4.1Å; F170-I176 HydrophobicContact CE2-CD1 3.93Å; F170-I176 HydrophobicContact CE2-CG1 4.12Å; F170-P220 HydrophobicContact CE1-CB 4.33Å; F170-P220 HydrophobicContact CZ-CB 4.34Å
171Q77.6Confident83.4Confident172 Ų17260.5 Ų60.580%0.80433%0.331SS*.  trans-102.7-37.7174.8-67.1176.9-11.400112.1N169N169-Q171 PolarHBondContact O-N 3.05Å
172S82.1Confident83.4Confident51 Ų5163.7 Ų63.736%0.35735%0.345SS..  trans-158.8164.5178.569.90000111F170 H174 N175F170-S172 WeakPolarHBondContact CE2-O 3.49Å; S172-H174 PolarHBondContact O-N 2.95Å; S172-H174 WeakPolarHBondContact OG-CB 3.39Å; S172-H174 PolarHBondContact OG-N 3.31Å; S172-N175 WeakPolarHBondContact O-CB 3.45Å; S172-N175 PolarHBondContact O-N 2.93Å
173L82.3Confident83.4Confident69 Ų6964.7 Ų64.736%0.36135%0.352SS..Hα-helixtrans-56.9-20.3173.8-67.5178000113.3F170 N175 I176 G177 I218F170-L173 HydrophobicContact CE2-CD2 4.36Å; F170-L173 HydrophobicContact CZ-CD2 4.1Å; L173-N175 PolarHBondContact O-N 3.29Å; L173-I176 HydrophobicContact CD2-CD1 3.93Å; L173-I176 WeakPolarHBondContact O-CB 3.45Å; L173-I176 PolarHBondContact O-N 3.03Å; L173-G177 PolarHBondContact O-N 2.98Å; L173-I218 VanDerWaalsContact CD1-O 3.27Å; L173-I218 WeakPolarHBondContact CD1-O 3.39Å; L173-I218 HydrophobicContact CD2-CB 4.38Å; L173-I218 HydrophobicContact CD2-CG2 3.89Å
174H83.6Confident83.6Confident141 Ų14167.7 Ų67.765%0.65336%0.361SS*.Hα-helixtrans-60.2-33.8175.3-177.8-91.1000112.1S172 I176 G177 S178S172-H174 PolarHBondContact O-N 2.95Å; S172-H174 WeakPolarHBondContact OG-CB 3.39Å; S172-H174 PolarHBondContact OG-N 3.31Å; H174-I176 VanDerWaalsContact C-N 3.28Å; H174-I176 PolarHBondContact O-N 2.87Å; H174-G177 PolarHBondContact O-N 2.76Å; H174-G177 VanDerWaalsContact O-N 3.16Å; H174-S178 PolarHBondContact O-N 2.85Å; H174-S178 PolarHBondContact O-OG 3.4Å
175N83.9Confident83.8Confident38 Ų3865.7 Ų65.720%0.20336%0.355CS..Hα-helixtrans-64.7-35.3178.9-65.522.7000111.5V165 N169 S172 L173 S178 V179V165-N175 HydrophobicContact CG2-CB 4.25Å; N169-N175 PolarHBondContact O-ND2 3.02Å; S172-N175 WeakPolarHBondContact O-CB 3.45Å; S172-N175 PolarHBondContact O-N 2.93Å; L173-N175 PolarHBondContact O-N 3.29Å; N175-S178 PolarHBondContact O-OG 2.89Å; N175-V179 WeakPolarHBondContact O-CG2 3.48Å; N175-V179 PolarHBondContact O-N 2.92Å
176I84.8Confident84.1Confident6 Ų672 Ų723%0.03138%0.383CS..Hα-helixtrans-67.1-48.4173.8-54175.8000109F136 F162 F170 L173 H174 S178 V179 V180 I218F136-I176 HydrophobicContact CE2-CD1 3.98Å; F136-I176 HydrophobicContact CE2-CG1 4.42Å; F162-I176 HydrophobicContact CD1-CG2 3.79Å; F162-I176 HydrophobicContact CD2-CG2 4.28Å; F162-I176 HydrophobicContact CE1-CG2 3.75Å; F162-I176 HydrophobicContact CE2-CG2 4.22Å; F162-I176 HydrophobicContact CG-CG2 4.08Å; F162-I176 HydrophobicContact CZ-CG2 3.97Å; F170-I176 HydrophobicContact CE2-CD1 3.93Å; F170-I176 HydrophobicContact CE2-CG1 4.12Å; L173-I176 HydrophobicContact CD2-CD1 3.93Å; L173-I176 WeakPolarHBondContact O-CB 3.45Å; L173-I176 PolarHBondContact O-N 3.03Å; H174-I176 VanDerWaalsContact C-N 3.28Å; H174-I176 PolarHBondContact O-N 2.87Å; I176-S178 VanDerWaalsContact C-N 3.32Å; I176-S178 PolarHBondContact O-N 3.34Å; I176-V179 PolarHBondContact O-N 3.38Å; I176-V180 HydrophobicContact CG2-CG2 4.25Å; I176-V180 WeakPolarHBondContact O-CB 3.41Å; I176-V180 WeakPolarHBondContact O-CG2 3.41Å; I176-V180 PolarHBondContact O-N 2.84Å; I176-I218 HydrophobicContact CD1-CD1 4.45Å; I176-I218 HydrophobicContact CD1-CG2 4.12Å; I176-I218 HydrophobicContact CG2-CD1 4.21Å
177G85.4Confident84.4Confident40 Ų4073.2 Ų73.241%0.41239%0.393SS..Hα-helixtrans-56.9-42.6178.700000113.2L173 H174 V180 Q181L173-G177 PolarHBondContact O-N 2.98Å; H174-G177 PolarHBondContact O-N 2.76Å; H174-G177 VanDerWaalsContact O-N 3.16Å; G177-V180 PolarHBondContact O-N 3.2Å; G177-Q181 WeakPolarHBondContact O-CB 3.43Å; G177-Q181 PolarHBondContact O-N 3.44Å
178S86.8Confident85Confident33 Ų3371.6 Ų71.623%0.23138%0.382CS..Hα-helixtrans-67-43.8178.766.50000112H174 N175 I176 V180 Q181 H182H174-S178 PolarHBondContact O-N 2.85Å; H174-S178 PolarHBondContact O-OG 3.4Å; N175-S178 PolarHBondContact O-OG 2.89Å; I176-S178 VanDerWaalsContact C-N 3.32Å; I176-S178 PolarHBondContact O-N 3.34Å; S178-V180 VanDerWaalsContact C-N 3.32Å; S178-V180 PolarHBondContact O-N 2.99Å; S178-Q181 PolarHBondContact O-N 3.23Å; S178-H182 PolarHBondContact O-N 3.48Å; S178-H182 PolarHBondContact O-ND1 3.37Å
179V87Confident85.8Confident24 Ų2469.5 Ų69.515%0.14538%0.376CS..Hα-helixtrans-62.6-40.8177.4168.90000111.5V165 N175 I176 S183 L188V165-V179 HydrophobicContact CG2-CG2 3.81Å; N175-V179 WeakPolarHBondContact O-CG2 3.48Å; N175-V179 PolarHBondContact O-N 2.92Å; I176-V179 PolarHBondContact O-N 3.38Å; V179-S183 WeakPolarHBondContact O-CB 3.45Å; V179-S183 PolarHBondContact O-N 3.47Å; V179-S183 PolarHBondContact O-OG 3.49Å; V179-L188 HydrophobicContact CG1-CD1 4.16Å; V179-L188 HydrophobicContact CG1-CD2 4.18Å
180V88.4Confident86.4Confident8 Ų866.4 Ų66.45%0.04836%0.359CS..Hα-helixtrans-63.6-43.7176.6171.90000111.2F162 I176 G177 S178 S183 E184 P205 L213 L214F162-V180 HydrophobicContact CE1-CG2 3.49Å; F162-V180 VanDerWaalsContact CE1-CG2 3.49Å; F162-V180 HydrophobicContact CZ-CG2 3.77Å; I176-V180 HydrophobicContact CG2-CG2 4.25Å; I176-V180 WeakPolarHBondContact O-CB 3.41Å; I176-V180 WeakPolarHBondContact O-CG2 3.41Å; I176-V180 PolarHBondContact O-N 2.84Å; G177-V180 PolarHBondContact O-N 3.2Å; S178-V180 VanDerWaalsContact C-N 3.32Å; S178-V180 PolarHBondContact O-N 2.99Å; V180-S183 CarbonylContact O-C 3.55Å; V180-S183 PolarHBondContact O-N 3.47Å; V180-E184 PolarHBondContact O-N 3.44Å; V180-P205 HydrophobicContact CB-CG 4.48Å; V180-P205 HydrophobicContact CG1-CB 3.73Å; V180-P205 HydrophobicContact CG1-CG 3.95Å; V180-L213 HydrophobicContact CG1-CB 3.85Å; V180-L213 HydrophobicContact CG1-CD1 4.21Å; V180-L214 HydrophobicContact CB-CD1 4.43Å; V180-L214 HydrophobicContact CG1-CD1 3.97Å; V180-L214 HydrophobicContact CG1-CD2 3.91Å; V180-L214 HydrophobicContact CG1-CG 3.65Å; V180-L214 HydrophobicContact CG2-CD1 3.57Å; V180-L214 HydrophobicContact CG2-CD2 4.35Å; V180-L214 HydrophobicContact CG2-CG 4.15Å
181Q87.7Confident86.9Confident134 Ų13465.2 Ų65.263%0.62636%0.355SS*.Hα-helixtrans-66.5-42.1179.5-170.9175.213.600112.2G177 S178 S183G177-Q181 WeakPolarHBondContact O-CB 3.43Å; G177-Q181 PolarHBondContact O-N 3.44Å; S178-Q181 PolarHBondContact O-N 3.23Å; Q181-S183 PolarHBondContact O-N 2.99Å
182H88.3Confident87.6Confident152 Ų15257 Ų5770%0.70432%0.317SS*.Hα-helixtrans-71.7-17.1176.7-70.791.3000113.3S178S178-H182 PolarHBondContact O-N 3.48Å; S178-H182 PolarHBondContact O-ND1 3.37Å
183S87.6Confident88Confident21 Ų2155.6 Ų55.615%0.14731%0.305CS..THydrogen-bonded Turntrans-110.923-178-49.40000112.6V179 V180 Q181 G185 K186V179-S183 WeakPolarHBondContact O-CB 3.45Å; V179-S183 PolarHBondContact O-N 3.47Å; V179-S183 PolarHBondContact O-OG 3.49Å; V180-S183 CarbonylContact O-C 3.55Å; V180-S183 PolarHBondContact O-N 3.47Å; Q181-S183 PolarHBondContact O-N 2.99Å; S183-G185 PolarHBondContact O-N 2.89Å; S183-K186 PolarHBondContact O-N 3.49Å
184E90.3Very high88.3Confident83 Ų8354.8 Ų54.839%0.38830%0.297SS..THydrogen-bonded Turntrans-54.6123.3173-170.2175-178.400110.1V180 K186 R207 L213V180-E184 PolarHBondContact O-N 3.44Å; E184-K186 VanDerWaalsContact C-N 3.32Å; E184-K186 PolarHBondContact O-N 3.41Å; E184-R207 WeakPolarHBondContact OE1-CG 3.36Å; E184-R207 IonicContact OE1-NE 3.24Å; E184-R207 PolarHBondContact OE1-NE 2.77Å; E184-L213 HydrophobicContact CB-CD1 4.44Å; E184-L213 HydrophobicContact CG-CD1 4.42Å; E184-L213 HydrophobicContact CG-CD2 4.12Å
185G87.3Confident88.3Confident54 Ų5454.2 Ų54.256%0.55731%0.309SS*.THydrogen-bonded Turntrans79.9-1.2-177.300000115.9S183 P205S183-G185 PolarHBondContact O-N 2.89Å; G185-P205 PolarHBondContact N-O 2.78Å
186K90.4Very high88.2Confident138 Ų13855.6 Ų55.660%0.633%0.333SS*.SBendtrans-109143.2179.9-65.4179.4-176.51730111.6S183 E184 L188 P205S183-K186 PolarHBondContact O-N 3.49Å; E184-K186 VanDerWaalsContact C-N 3.32Å; E184-K186 PolarHBondContact O-N 3.41Å; K186-L188 PolarHBondContact O-N 2.91Å; K186-P205 VanDerWaalsContact O-CD 3.25Å; K186-P205 WeakPolarHBondContact O-CD 3.39Å
187P88.8Confident88.2Confident75 Ų7561.7 Ų61.749%0.48736%0.361SS..  trans-69.7127.2175.228.4-32.8000111.3R202 V204P187-R202 HydrophobicContact CB-CG 3.76Å; P187-V204 HydrophobicContact CB-CG2 4.14Å
188L90.4Very high88.3Confident17 Ų1766.1 Ų66.19%0.08937%0.369CS..EExtended strand (participates in β ladder)trans-106135.8171.1-70175.8000109.6F162 V179 K186 R202 L203 P205F162-L188 HydrophobicContact CE1-CD1 4.04Å; V179-L188 HydrophobicContact CG1-CD1 4.16Å; V179-L188 HydrophobicContact CG1-CD2 4.18Å; K186-L188 PolarHBondContact O-N 2.91Å; L188-R202 WeakPolarHBondContact O-CA 3.3Å; L188-L203 WeakPolarHBondContact CB-O 3.25Å; L188-L203 PolarHBondContact N-O 2.95Å; L188-L203 PolarHBondContact O-N 3.13Å; L188-P205 HydrophobicContact CD1-CG 3.73Å; L188-P205 HydrophobicContact CG-CG 4.45Å
189N91.2Very high88.4Confident98 Ų9867.6 Ų67.652%0.52437%0.372SS..EExtended strand (participates in β ladder)trans-85.4131.8171.4-64.5-23.5000108.9G163G163-N189 WeakPolarHBondContact CA-O 3.47Å; G163-N189 PolarHBondContact N-O 3.3Å
190V90.4Very high88.6Confident1 Ų174.5 Ų74.51%0.00640%0.403CS..EExtended strand (participates in β ladder)trans-129126.2178.4-175.60000107.6I159 E161 F162 V192 L201 L203I159-V190 HydrophobicContact CG2-CG1 4.29Å; E161-V190 CarbonylContact O-C 3.59Å; E161-V190 WeakPolarHBondContact O-CA 3.22Å; E161-V190 WeakPolarHBondContact O-CG1 3.35Å; F162-V190 HydrophobicContact CD2-CB 4.38Å; F162-V190 HydrophobicContact CD2-CG1 3.68Å; F162-V190 HydrophobicContact CD2-CG2 3.72Å; F162-V190 HydrophobicContact CE2-CG1 4.19Å; F162-V190 HydrophobicContact CE2-CG2 3.73Å; F162-V190 HydrophobicContact CG-CG1 4.46Å; F162-V190 HydrophobicContact CG-CG2 4.2Å; F162-V190 HydrophobicContact CZ-CG2 4.2Å; V190-V192 HydrophobicContact CG1-CG1 3.94Å; V190-L201 PolarHBondContact N-O 3.42Å; V190-L201 PolarHBondContact O-N 3.13Å; V190-L203 HydrophobicContact CG2-CB 4.04Å
191T91.3Very high88.7Confident14 Ų1475.5 Ų75.59%0.08641%0.408CS..EExtended strand (participates in β ladder)trans-104.1121.2175.3-55.60000108.7V160 E161 H199 Q200V160-T191 HydrophobicContact CB-CG2 4.49Å; V160-T191 PolarHBondContact N-O 3.46Å; E161-T191 PolarHBondContact N-O 2.91Å; E161-T191 PolarHBondContact O-N 3.05Å; T191-H199 WeakPolarHBondContact CA-O 3.22Å; T191-Q200 HydrophobicContact CG2-CG 4.42Å
192V91.6Very high88.9Confident0 Ų077.2 Ų77.20%041%0.409CS..EExtended strand (participates in β ladder)trans-121157.5178.4-57.30000111.2L153 D157 E158 I159 V190 K198 H199 L201L153-V192 HydrophobicContact CD1-CG1 3.89Å; D157-V192 HydrophobicContact CB-CB 4.13Å; D157-V192 HydrophobicContact CB-CG1 4.32Å; D157-V192 HydrophobicContact CB-CG2 4.34Å; E158-V192 CarbonylContact O-C 3.54Å; E158-V192 WeakPolarHBondContact O-CA 3.4Å; I159-V192 HydrophobicContact CG1-CG1 4.1Å; V190-V192 HydrophobicContact CG1-CG1 3.94Å; V192-K198 CarbonylContact O-C 3.6Å; V192-K198 WeakPolarHBondContact O-CA 3.44Å; V192-H199 HydrophobicContact CG2-CB 3.99Å; V192-H199 PolarHBondContact N-O 2.63Å; V192-H199 PolarHBondContact O-N 3.28Å; V192-L201 HydrophobicContact CG2-CD1 3.8Å; V192-L201 HydrophobicContact CG2-CG 4.31Å
193I90.2Very high89Confident21 Ų2170.1 Ų70.111%0.10838%0.375CS..EExtended strand (participates in β ladder)trans-107.5123.9169.7-63.8167000107.6P133 E158 V160 E197 K198P133-I193 HydrophobicContact CB-CD1 4.19Å; P133-I193 HydrophobicContact CG-CD1 3.86Å; E158-I193 HydrophobicContact CB-CB 4.2Å; E158-I193 PolarHBondContact N-O 3.34Å; E158-I193 VanDerWaalsContact N-O 3.08Å; E158-I193 PolarHBondContact O-N 2.84Å; V160-I193 HydrophobicContact CG2-CD1 3.39Å; V160-I193 HydrophobicContact CG2-CG1 3.58Å; I193-E197 CarbonylContact C-O 3.39Å; I193-E197 VanDerWaalsContact CA-O 3.28Å; I193-E197 WeakPolarHBondContact CA-O 3.38Å; I193-K198 HydrophobicContact CG1-CG 4.31Å
194R89.8Confident89.2Confident52 Ų5271.7 Ų71.720%0.19638%0.384CS..EExtended strand (participates in β ladder)trans-124.9122.3174.8-172.8-178.3-62.81641.5108G152 Q154 D157 G196 E197G152-R194 PolarHBondContact O-NH2 3.05Å; Q154-R194 VanDerWaalsContact CG-NH2 3.32Å; Q154-R194 VanDerWaalsContact OE1-NE 3.13Å; D157-R194 IonicContact OD1-CZ 3.55Å; D157-R194 IonicContact OD1-NE 2.81Å; D157-R194 PolarHBondContact OD1-NE 2.78Å; D157-R194 IonicContact OD1-NH2 3.41Å; D157-R194 PolarHBondContact OD1-NH2 3.35Å; D157-R194 IonicContact OD2-CZ 3.7Å; D157-R194 IonicContact OD2-NE 3.73Å; D157-R194 IonicContact OD2-NH2 2.81Å; D157-R194 PolarHBondContact OD2-NH2 3.48Å; R194-G196 PolarHBondContact O-N 2.85Å; R194-E197 PolarHBondContact N-O 3.41Å; R194-E197 PolarHBondContact O-N 3.41Å
195S83.7Confident89.2Confident129 Ų12967.8 Ų67.890%0.90237%0.366SS*.THydrogen-bonded Turntrans53.728.6-178.8-56.60000114.3
196G80.6Confident89.4Confident68 Ų6867.9 Ų67.970%0.70136%0.356SS*.THydrogen-bonded Turntrans87.8-6.4-178.600000115.4R194R194-G196 PolarHBondContact O-N 2.85Å
197E84.7Confident89.3Confident133 Ų13371 Ų7162%0.62136%0.364SS*.EExtended strand (participates in β ladder)trans-98.4143176.3-65.1-166.6150.300111.8I193 R194 H199I193-E197 CarbonylContact C-O 3.39Å; I193-E197 VanDerWaalsContact CA-O 3.28Å; I193-E197 WeakPolarHBondContact CA-O 3.38Å; R194-E197 PolarHBondContact N-O 3.41Å; R194-E197 PolarHBondContact O-N 3.41Å; E197-H199 PolarHBondContact O-CD2 3.43Å
198K87.6Confident89.3Confident133 Ų13370.3 Ų70.358%0.57835%0.352SS*.EExtended strand (participates in β ladder)trans-81.2125.2175.9-71.3-175.4-178.3179.90110.4V192 I193V192-K198 CarbonylContact O-C 3.6Å; V192-K198 WeakPolarHBondContact O-CA 3.44Å; I193-K198 HydrophobicContact CG1-CG 4.31Å
199H88.3Confident88.9Confident64 Ų6474.9 Ų74.930%0.29639%0.392SS..EExtended strand (participates in β ladder)trans-116.8130.8171.3-64.5-85.7000110.5T191 V192 E197T191-H199 WeakPolarHBondContact CA-O 3.22Å; V192-H199 HydrophobicContact CG2-CB 3.99Å; V192-H199 PolarHBondContact N-O 2.63Å; V192-H199 PolarHBondContact O-N 3.28Å; E197-H199 PolarHBondContact O-CD2 3.43Å
200Q91.3Very high88.4Confident169 Ų16971.8 Ų71.879%0.7938%0.383SS*.EExtended strand (participates in β ladder)trans-96.8120.7170.3-74.4-175.2-14.800109.5T191T191-Q200 HydrophobicContact CG2-CG 4.42Å
201L91.4Very high87.8Confident30 Ų3081.5 Ų81.516%0.15743%0.425CS..EExtended strand (participates in β ladder)trans-114.7147.6-179.1-58.2176.8000109.7L153 V190 V192L153-L201 HydrophobicContact CB-CD1 4.45Å; L153-L201 HydrophobicContact CD1-CD1 3.76Å; V190-L201 PolarHBondContact N-O 3.42Å; V190-L201 PolarHBondContact O-N 3.13Å; V192-L201 HydrophobicContact CG2-CD1 3.8Å; V192-L201 HydrophobicContact CG2-CG 4.31Å
202R92.6Very high87.5Confident170 Ų17083.2 Ų83.264%0.64245%0.446SS*.EExtended strand (participates in β ladder)trans-109.4111.6174.6-175.2179.7-66.9-161.91.8109A151 P187 L188A151-R202 WeakPolarHBondContact CB-O 3.26Å; P187-R202 HydrophobicContact CB-CG 3.76Å; L188-R202 WeakPolarHBondContact O-CA 3.3Å
203L90.7Very high87.2Confident2 Ų284.7 Ų84.71%0.0145%0.454CS..EExtended strand (participates in β ladder)trans-109.9131.5-176.1-178.6150.8000109.9A148 A151 F162 L188 V190 P205 L214A148-L203 HydrophobicContact CB-CD1 4.24Å; A151-L203 HydrophobicContact CB-CB 3.89Å; A151-L203 HydrophobicContact CB-CD1 4.36Å; A151-L203 HydrophobicContact CB-CG 4.11Å; F162-L203 HydrophobicContact CZ-CD2 4.4Å; L188-L203 WeakPolarHBondContact CB-O 3.25Å; L188-L203 PolarHBondContact N-O 2.95Å; L188-L203 PolarHBondContact O-N 3.13Å; V190-L203 HydrophobicContact CG2-CB 4.04Å; L203-P205 HydrophobicContact CD2-CG 3.92Å; L203-L214 HydrophobicContact CD1-CD2 4Å; L203-L214 HydrophobicContact CD2-CD2 3.13Å; L203-L214 HydrophobicContact CG-CD2 4.01Å
204V91.3Very high86.9Confident55 Ų5584.5 Ų84.533%0.33345%0.453SS..  trans-116.3105179.6-171.60000108.6P147 P187 T206P147-V204 WeakPolarHBondContact CB-O 3.44Å; P187-V204 HydrophobicContact CB-CG2 4.14Å; V204-T206 HydrophobicContact CG1-CG2 4.06Å; V204-T206 PolarHBondContact O-N 2.77Å
205P90.9Very high86.8Confident0 Ų082.6 Ų82.60%045%0.449CS..  trans-63.2122.4177.8-21.233.3000111.1V180 G185 K186 L188 L203 L213 L214V180-P205 HydrophobicContact CB-CG 4.48Å; V180-P205 HydrophobicContact CG1-CB 3.73Å; V180-P205 HydrophobicContact CG1-CG 3.95Å; G185-P205 PolarHBondContact N-O 2.78Å; K186-P205 VanDerWaalsContact O-CD 3.25Å; K186-P205 WeakPolarHBondContact O-CD 3.39Å; L188-P205 HydrophobicContact CD1-CG 3.73Å; L188-P205 HydrophobicContact CG-CG 4.45Å; L203-P205 HydrophobicContact CD2-CG 3.92Å; P205-L213 WeakPolarHBondContact CA-O 3.4Å; P205-L213 HydrophobicContact CB-CB 4.17Å; P205-L214 HydrophobicContact CB-CD2 4.14Å; P205-L214 HydrophobicContact CG-CD2 4.12Å
206T90.2Very high87Confident57 Ų5777.8 Ų77.835%0.3542%0.415SS..  trans-144.8153.5-179.9520000110.3P147 V204 W208 L213P147-T206 VanDerWaalsContact CG-OG1 3.27Å; P147-T206 WeakPolarHBondContact CG-OG1 3.45Å; V204-T206 HydrophobicContact CG1-CG2 4.06Å; V204-T206 PolarHBondContact O-N 2.77Å; T206-W208 PolarHBondContact O-N 3.33Å; T206-L213 PolarHBondContact N-O 3.3Å; T206-L213 CarbonylContact O-C 3.48Å; T206-L213 WeakPolarHBondContact O-CA 3.32Å; T206-L213 VanDerWaalsContact O-O 3.05Å
207R88.8Confident87.4Confident203 Ų20378 Ų7877%0.76640%0.401SS*.  trans-68.2130.3171.4-66.8-175.7-173.6-163.1-3.1109.3E184 L213E184-R207 WeakPolarHBondContact OE1-CG 3.36Å; E184-R207 IonicContact OE1-NE 3.24Å; E184-R207 PolarHBondContact OE1-NE 2.77Å; R207-L213 HydrophobicContact CG-CD2 3.77Å
208W87.8Confident87.6Confident60 Ų6072.6 Ų72.623%0.22738%0.376CS..  trans-134.1179.5-178.268.6-66.6000109.6P147 T206 G210 G212P147-W208 HydrophobicContact CG-CB 4.34Å; P147-W208 HydrophobicContact CG-CG 4.3Å; T206-W208 PolarHBondContact O-N 3.33Å; W208-G210 VanDerWaalsContact CZ2-CA 3.48Å; W208-G210 PolarHBondContact O-N 2.98Å; W208-G210 VanDerWaalsContact O-N 3.12Å; W208-G212 PolarHBondContact NE1-O 3.42Å; W208-G212 VanDerWaalsContact NE1-O 3.14Å
209A82.3Confident87.7Confident114 Ų11469.3 Ų69.394%0.94236%0.364SS*.SBendtrans-66.3-12.5-173.900000114.8
210G81.1Confident87.7Confident33 Ų3369.2 Ų69.234%0.3437%0.369SS..SBendtrans-103.3-166.2178.200000114.1W208W208-G210 VanDerWaalsContact CZ2-CA 3.48Å; W208-G210 PolarHBondContact O-N 2.98Å; W208-G210 VanDerWaalsContact O-N 3.12Å
211K78.1Confident87.2Confident204 Ų20463.8 Ų63.889%0.88735%0.345SS*.SBendtrans-82.2129.8-178.4-168.8177.9178.8-177.90111
212G84.9Confident85.7Confident50 Ų5071.2 Ų71.252%0.51538%0.379SS..SBendtrans85.1-165.2174.600000114.4W208W208-G212 PolarHBondContact NE1-O 3.42Å; W208-G212 VanDerWaalsContact NE1-O 3.14Å
213L85.2Confident83.8Confident31 Ų3176.9 Ų76.916%0.16240%0.4CS..SBendtrans-105.5-7.2-171.9-63.2173000114.8V180 E184 P205 T206 R207V180-L213 HydrophobicContact CG1-CB 3.85Å; V180-L213 HydrophobicContact CG1-CD1 4.21Å; E184-L213 HydrophobicContact CB-CD1 4.44Å; E184-L213 HydrophobicContact CG-CD1 4.42Å; E184-L213 HydrophobicContact CG-CD2 4.12Å; P205-L213 WeakPolarHBondContact CA-O 3.4Å; P205-L213 HydrophobicContact CB-CB 4.17Å; T206-L213 PolarHBondContact N-O 3.3Å; T206-L213 CarbonylContact O-C 3.48Å; T206-L213 WeakPolarHBondContact O-CA 3.32Å; T206-L213 VanDerWaalsContact O-O 3.05Å; R207-L213 HydrophobicContact CG-CD2 3.77Å
214L85.1Confident83.5Confident17 Ų1780.6 Ų80.69%0.08942%0.42CS..SBendtrans-122.5-40.1-174.9-65.8-176.6000114.1S146 P147 A148 F162 V180 L203 P205S146-L214 WeakPolarHBondContact CB-O 3.42Å; S146-L214 PolarHBondContact OG-O 3.04Å; P147-L214 WeakPolarHBondContact CD-O 3.42Å; A148-L214 VanDerWaalsContact CB-O 3.29Å; A148-L214 WeakPolarHBondContact CB-O 3.5Å; A148-L214 PolarHBondContact N-O 2.98Å; F162-L214 HydrophobicContact CZ-CD1 3.98Å; V180-L214 HydrophobicContact CB-CD1 4.43Å; V180-L214 HydrophobicContact CG1-CD1 3.97Å; V180-L214 HydrophobicContact CG1-CD2 3.91Å; V180-L214 HydrophobicContact CG1-CG 3.65Å; V180-L214 HydrophobicContact CG2-CD1 3.57Å; V180-L214 HydrophobicContact CG2-CD2 4.35Å; V180-L214 HydrophobicContact CG2-CG 4.15Å; L203-L214 HydrophobicContact CD1-CD2 4Å; L203-L214 HydrophobicContact CD2-CD2 3.13Å; L203-L214 HydrophobicContact CG-CD2 4.01Å; P205-L214 HydrophobicContact CB-CD2 4.14Å; P205-L214 HydrophobicContact CG-CD2 4.12Å
215G87.1Confident83.1Confident12 Ų1281.9 Ų81.912%0.12442%0.424CS..  trans70.825.5-17600000115.8S143S143-G215 WeakPolarHBondContact CB-O 3.35Å; S143-G215 PolarHBondContact N-O 2.91Å
216C87.7Confident82.6Confident28 Ų2886.5 Ų86.519%0.18945%0.448CS..EExtended strand (participates in β ladder)trans-120.6149.8169.761.30000111.5V139 S141 I142 A148 L153V139-C216 HydrophobicContact CG1-CB 4.47Å; S141-C216 CarbonylContact O-C 3.6Å; S141-C216 VanDerWaalsContact O-CA 3.3Å; S141-C216 WeakPolarHBondContact O-CA 3.2Å; I142-C216 HydrophobicContact CG1-CB 4.12Å; A148-C216 HydrophobicContact CB-CB 3.76Å; L153-C216 HydrophobicContact CD2-CB 4.25Å
217N89.4Confident82.2Confident74 Ų7488.2 Ų88.240%0.39645%0.453SS..EExtended strand (participates in β ladder)trans-100118.8171.2-172.424.4000109.2N140 S141N140-N217 HydrophobicContact CB-CB 4.47Å; N140-N217 PolarHBondContact N-O 3.04Å; N140-N217 PolarHBondContact ND2-ND2 3.04Å; S141-N217 PolarHBondContact O-N 3.27Å; S141-N217 VanDerWaalsContact OG-CB 3.28Å; S141-N217 WeakPolarHBondContact OG-CB 3.4Å
218I89.2Confident81.8Confident18 Ų1881.1 Ų81.19%0.09243%0.434CS..EExtended strand (participates in β ladder)trans-112.3130.3-178.7-58.6171.1000107.6A137 K138 I159 L173 I176A137-I218 HydrophobicContact CB-CG2 3.58Å; K138-I218 WeakPolarHBondContact O-CA 3.34Å; I159-I218 HydrophobicContact CD1-CD1 3.97Å; I159-I218 HydrophobicContact CD1-CG1 4.24Å; I159-I218 HydrophobicContact CD1-CG2 3.95Å; L173-I218 VanDerWaalsContact CD1-O 3.27Å; L173-I218 WeakPolarHBondContact CD1-O 3.39Å; L173-I218 HydrophobicContact CD2-CB 4.38Å; L173-I218 HydrophobicContact CD2-CG2 3.89Å; I176-I218 HydrophobicContact CD1-CD1 4.45Å; I176-I218 HydrophobicContact CD1-CG2 4.12Å; I176-I218 HydrophobicContact CG2-CD1 4.21Å
219I89.6Confident81.4Confident65 Ų6582.5 Ų82.533%0.33345%0.448SS..EExtended strand (participates in β ladder)trans-114.1141.717757.3172.8000109.5A137 K138 N140A137-I219 CarbonylContact C-O 3.59Å; A137-I219 VanDerWaalsContact CA-O 3.31Å; A137-I219 WeakPolarHBondContact CA-O 3.17Å; K138-I219 HydrophobicContact CB-CG1 4.27Å; K138-I219 PolarHBondContact N-O 3.35Å; K138-I219 WeakPolarHBondContact O-CG1 3.41Å; K138-I219 PolarHBondContact O-N 3.03Å; N140-I219 HydrophobicContact CB-CD1 4.22Å; N140-I219 HydrophobicContact CB-CG1 4.26Å; N140-I219 HydrophobicContact CB-CG2 4.13Å
220P87.1Confident81.3Confident61 Ų6180.2 Ų80.240%0.39641%0.412SS..EExtended strand (participates in β ladder)trans-68.3139.2174.431-33.7000109.2F170 Q222F170-P220 HydrophobicContact CE1-CB 4.33Å; F170-P220 HydrophobicContact CZ-CB 4.34Å; P220-Q222 PolarHBondContact O-N 3.24Å
221L81.5Confident81.4Confident55 Ų5583.8 Ų83.829%0.28842%0.418SS..  trans-79.796.4169.7-78.6159.5000107.3A135 F136 A137 K138 E158 R223A135-L221 HydrophobicContact CB-CD1 3.69Å; F136-L221 PolarHBondContact O-N 3.33Å; A137-L221 WeakPolarHBondContact O-CD1 3.38Å; K138-L221 HydrophobicContact CB-CD1 4.11Å; K138-L221 HydrophobicContact CB-CD2 3.98Å; K138-L221 HydrophobicContact CB-CG 3.89Å; K138-L221 HydrophobicContact CD-CD2 4.39Å; E158-L221 HydrophobicContact CG-CD1 4.35Å; L221-R223 PolarHBondContact O-N 2.74Å
222Q59.8Low81.6Confident187 Ų18773.8 Ų73.887%0.87438%0.379SS*.  trans-73.1114.7168.2-76.3-174.5-35.200108.6P220P220-Q222 PolarHBondContact O-N 3.24Å
223R53.1Low81.3Confident288 Ų28876 Ų76100%1.08737%0.366SS*.  trans-127.80160.9-81.2-168.2-174.9174.76.1108.9L221L221-R223 PolarHBondContact O-N 2.74Å

Retrieved 223 of 223 residues in 130 ms (Link to these results)