A0A087XB17_POEFO Loading...

Negative elongation factor E

Essential component of the NELF complex, a complex that negatively regulates the elongation of transcription by RNA polymerase II. The NELF complex, which acts via an association with the DSIF complex and causes transcriptional pausing, is counteracted by the P-TEFb kinase complex. Provides the strongest RNA binding activity of the NELF complex and may initially recruit the NELF complex to RNA.

AlphaFold DB , UniProt , Accession A0A087XB17, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.5Low71.2Confident238 Ų238142.6 Ų142.6100%1.17276%0.755SS**  0112.40-90.1171.7165.400107.4L3M1-L3 PolarHBondContact O-N 3.43Å
2V57.3Low72.4Confident126 Ų126138.6 Ų138.676%0.76473%0.728SS**  trans-81.8113.8177.5-173.90000107.1F4V2-F4 PolarHBondContact O-N 3.43Å
3L60.6Low73.5Confident166 Ų166134.7 Ų134.787%0.86970%0.704SS**  trans-80.5110.1176.6-86.7131.9000108.7M1M1-L3 PolarHBondContact O-N 3.43Å
4F69.3Low74.5Confident169 Ų169128.3 Ų128.374%0.74168%0.676SS**  trans-75.1139.8169.2-71.2-81.6000109.8V2 N6V2-F4 PolarHBondContact O-N 3.43Å; F4-N6 PolarHBondContact O-N 3.43Å
5P72.1Confident75.7Confident109 Ų109126.9 Ų126.971%0.70867%0.669SS**  trans-64.6130.9175.924.6-31000110.8S7P5-S7 VanDerWaalsContact C-N 3.31Å; P5-S7 PolarHBondContact O-N 3.4Å
6N69.7Low76.6Confident176 Ų176127.1 Ų127.194%0.94167%0.665SS**SBendtrans-80.6-5.9-176.7-83.3-17.1000114.3F4F4-N6 PolarHBondContact O-N 3.43Å
7S75.7Confident77.4Confident91 Ų91126.9 Ų126.964%0.63666%0.658SS**SBendtrans-110.5123.9179.8550000109.9P5 T9P5-S7 VanDerWaalsContact C-N 3.31Å; P5-S7 PolarHBondContact O-N 3.4Å; S7-T9 PolarHBondContact O-N 3.01Å
8L76.6Confident78.3Confident91 Ų91127.4 Ų127.448%0.47665%0.654SS.*  trans-58.3135.4171.1-111.772.8000109.4E12 E13L8-E12 HydrophobicContact CB-CB 4.3Å; L8-E12 HydrophobicContact CD2-CB 3.82Å; L8-E12 HydrophobicContact CG-CB 3.72Å; L8-E13 HydrophobicContact CB-CG 4.23Å; L8-E13 HydrophobicContact CD2-CG 4.48Å
9T84.9Confident79.1Confident76 Ų76129.4 Ų129.447%0.46665%0.654SS.*  trans-68.8154.8172.656.60000110.3S7 E11 E12 E13S7-T9 PolarHBondContact O-N 3.01Å; T9-E11 PolarHBondContact O-N 3.24Å; T9-E11 VanDerWaalsContact O-N 3.11Å; T9-E12 PolarHBondContact N-OE2 3.17Å; T9-E12 WeakPolarHBondContact O-CB 3.49Å; T9-E12 PolarHBondContact O-N 3.13Å; T9-E12 VanDerWaalsContact OG1-CD 3.31Å; T9-E12 VanDerWaalsContact OG1-CG 3.25Å; T9-E12 WeakPolarHBondContact OG1-CG 3.25Å; T9-E12 PolarHBondContact OG1-OE2 3.34Å; T9-E13 PolarHBondContact O-N 3.06Å
10E84.3Confident79.8Confident176 Ų176125.4 Ų125.482%0.82264%0.641SS**Hα-helixtrans-55.6-32.5179.4-65.4-176.3172.100112.2S14E10-S14 WeakPolarHBondContact O-CB 3.36Å; E10-S14 PolarHBondContact O-N 3.28Å
11E82.6Confident80.5Confident151 Ų151126.5 Ų126.571%0.70664%0.641SS**Hα-helixtrans-65.7-44.3174.6-66.2-164.4153.500112.3T9 S14 L15T9-E11 PolarHBondContact O-N 3.24Å; T9-E11 VanDerWaalsContact O-N 3.11Å; E11-S14 WeakPolarHBondContact O-CB 3.38Å; E11-S14 PolarHBondContact O-N 3.12Å; E11-S14 PolarHBondContact O-OG 3.45Å; E11-L15 PolarHBondContact O-N 3.4Å
12E85.6Confident82.5Confident94 Ų94120.5 Ų120.544%0.43961%0.613SS.*Hα-helixtrans-66-38.5177.4-72.2170.914100111.8L8 T9 S14 L15 Q16L8-E12 HydrophobicContact CB-CB 4.3Å; L8-E12 HydrophobicContact CD2-CB 3.82Å; L8-E12 HydrophobicContact CG-CB 3.72Å; T9-E12 PolarHBondContact N-OE2 3.17Å; T9-E12 WeakPolarHBondContact O-CB 3.49Å; T9-E12 PolarHBondContact O-N 3.13Å; T9-E12 VanDerWaalsContact OG1-CD 3.31Å; T9-E12 VanDerWaalsContact OG1-CG 3.25Å; T9-E12 WeakPolarHBondContact OG1-CG 3.25Å; T9-E12 PolarHBondContact OG1-OE2 3.34Å; E12-S14 VanDerWaalsContact C-N 3.32Å; E12-S14 PolarHBondContact O-N 3.02Å; E12-L15 PolarHBondContact O-N 3.36Å; E12-Q16 WeakPolarHBondContact O-CB 3.46Å; E12-Q16 PolarHBondContact O-N 3.43Å
13E87Confident84.2Confident88 Ų88121.5 Ų121.541%0.41161%0.607SS.*Hα-helixtrans-62.1-41.7172-71-159.8173.500111.8L8 T9 L15 Q16 K17L8-E13 HydrophobicContact CB-CG 4.23Å; L8-E13 HydrophobicContact CD2-CG 4.48Å; T9-E13 PolarHBondContact O-N 3.06Å; E13-L15 VanDerWaalsContact C-N 3.3Å; E13-L15 PolarHBondContact O-N 2.78Å; E13-Q16 PolarHBondContact O-N 2.88Å; E13-K17 WeakPolarHBondContact O-CB 3.41Å; E13-K17 VanDerWaalsContact O-CG 3.28Å; E13-K17 WeakPolarHBondContact O-CG 3.06Å; E13-K17 PolarHBondContact O-N 3.43Å; E13-K17 IonicContact OE2-NZ 2.65Å; E13-K17 PolarHBondContact OE2-NZ 3.04Å; E13-K17 VanDerWaalsContact OE2-NZ 3.16Å
14S87.3Confident85.8Confident45 Ų45121.4 Ų121.432%0.31560%0.6SS.*Hα-helixtrans-63.2-39.517889.90000111.2E10 E11 E12 K17 K18E10-S14 WeakPolarHBondContact O-CB 3.36Å; E10-S14 PolarHBondContact O-N 3.28Å; E11-S14 WeakPolarHBondContact O-CB 3.38Å; E11-S14 PolarHBondContact O-N 3.12Å; E11-S14 PolarHBondContact O-OG 3.45Å; E12-S14 VanDerWaalsContact C-N 3.32Å; E12-S14 PolarHBondContact O-N 3.02Å; S14-K17 PolarHBondContact O-N 3.39Å; S14-K18 VanDerWaalsContact O-CG 3.32Å; S14-K18 WeakPolarHBondContact O-CG 3.3Å; S14-K18 PolarHBondContact O-N 2.79Å
15L92.6Very high86.8Confident107 Ų107121 Ų12156%0.5660%0.598SS**Hα-helixtrans-67.3-42.2176.2-80.2168.5000111.3E11 E12 E13 K17 K18 Y19E11-L15 PolarHBondContact O-N 3.4Å; E12-L15 PolarHBondContact O-N 3.36Å; E13-L15 VanDerWaalsContact C-N 3.3Å; E13-L15 PolarHBondContact O-N 2.78Å; L15-K17 VanDerWaalsContact C-N 3.35Å; L15-K17 PolarHBondContact O-N 3.14Å; L15-K18 PolarHBondContact O-N 3.06Å; L15-Y19 WeakPolarHBondContact O-CB 3.34Å; L15-Y19 PolarHBondContact O-N 3.29Å
16Q89.1Confident87.8Confident130 Ų130122.5 Ų122.561%0.60759%0.593SS**Hα-helixtrans-63.7-40.9176.8-160.2177.924.200111.5E12 E13 Y19 A20E12-Q16 WeakPolarHBondContact O-CB 3.46Å; E12-Q16 PolarHBondContact O-N 3.43Å; E13-Q16 PolarHBondContact O-N 2.88Å; Q16-Y19 PolarHBondContact O-N 3.39Å; Q16-A20 WeakPolarHBondContact O-CB 3.41Å; Q16-A20 PolarHBondContact O-N 3.37Å
17K90.6Very high88.9Confident125 Ų125122.1 Ų122.154%0.54358%0.583SS.*Hα-helixtrans-63.1-43.6173.9-71.9165.9-171158.90111.6E13 S14 L15 A20 K21E13-K17 WeakPolarHBondContact O-CB 3.41Å; E13-K17 VanDerWaalsContact O-CG 3.28Å; E13-K17 WeakPolarHBondContact O-CG 3.06Å; E13-K17 PolarHBondContact O-N 3.43Å; E13-K17 IonicContact OE2-NZ 2.65Å; E13-K17 PolarHBondContact OE2-NZ 3.04Å; E13-K17 VanDerWaalsContact OE2-NZ 3.16Å; S14-K17 PolarHBondContact O-N 3.39Å; L15-K17 VanDerWaalsContact C-N 3.35Å; L15-K17 PolarHBondContact O-N 3.14Å; K17-A20 PolarHBondContact O-N 2.69Å; K17-K21 WeakPolarHBondContact O-CG 3.31Å; K17-K21 PolarHBondContact O-N 3.41Å; K17-K21 VanDerWaalsContact O-N 3.12Å
18K93Very high89.4Confident135 Ų135120.7 Ų120.759%0.58758%0.577SS**Hα-helixtrans-62.9-44.9175.1-75.2170.8-177.6169.70111.4S14 L15 A20 K21 L22S14-K18 VanDerWaalsContact O-CG 3.32Å; S14-K18 WeakPolarHBondContact O-CG 3.3Å; S14-K18 PolarHBondContact O-N 2.79Å; L15-K18 PolarHBondContact O-N 3.06Å; K18-A20 PolarHBondContact O-N 3.19Å; K18-K21 WeakPolarHBondContact O-CB 3.38Å; K18-K21 PolarHBondContact O-N 2.81Å; K18-L22 WeakPolarHBondContact O-CB 3.42Å; K18-L22 PolarHBondContact O-N 2.86Å
19Y94.9Very high89.7Confident166 Ų166122.2 Ų122.265%0.65159%0.585SS**Hα-helixtrans-64.5-39.9179.2-168.1-106.7000112.1L15 Q16 K21 L22 K23L15-Y19 WeakPolarHBondContact O-CB 3.34Å; L15-Y19 PolarHBondContact O-N 3.29Å; Q16-Y19 PolarHBondContact O-N 3.39Å; Y19-K21 PolarHBondContact O-N 2.78Å; Y19-L22 PolarHBondContact O-N 2.95Å; Y19-K23 WeakPolarHBondContact O-CB 3.41Å; Y19-K23 PolarHBondContact O-N 2.87Å
20A93.2Very high89.7Confident48 Ų48123.2 Ų123.240%0.39759%0.587SS.*Hα-helixtrans-62-42.4174.100000112.2Q16 K17 K18 K23 K24Q16-A20 WeakPolarHBondContact O-CB 3.41Å; Q16-A20 PolarHBondContact O-N 3.37Å; K17-A20 PolarHBondContact O-N 2.69Å; K18-A20 PolarHBondContact O-N 3.19Å; A20-K23 PolarHBondContact O-N 3.1Å; A20-K24 WeakPolarHBondContact O-CG 3.49Å; A20-K24 PolarHBondContact O-N 2.89Å
21K93.6Very high89.4Confident150 Ų150117.5 Ų117.565%0.65257%0.57SS**Hα-helixtrans-61.8-43.1173.8-73.2178.3-179.1179.50111.5K17 K18 Y19 K24 K25K17-K21 WeakPolarHBondContact O-CG 3.31Å; K17-K21 PolarHBondContact O-N 3.41Å; K17-K21 VanDerWaalsContact O-N 3.12Å; K18-K21 WeakPolarHBondContact O-CB 3.38Å; K18-K21 PolarHBondContact O-N 2.81Å; Y19-K21 PolarHBondContact O-N 2.78Å; K21-K24 PolarHBondContact O-N 2.79Å; K21-K25 PolarHBondContact O-N 3.15Å
22L92Very high88.9Confident112 Ų112116.1 Ų116.159%0.58657%0.567SS**Hα-helixtrans-66.9-39.6179.8-150.2153.7000111.5K18 Y19 K24 K25 K26K18-L22 WeakPolarHBondContact O-CB 3.42Å; K18-L22 PolarHBondContact O-N 2.86Å; Y19-L22 PolarHBondContact O-N 2.95Å; L22-K24 PolarHBondContact O-N 3.26Å; L22-K25 PolarHBondContact O-N 2.82Å; L22-K26 WeakPolarHBondContact O-CB 3.29Å; L22-K26 PolarHBondContact O-N 3.25Å
23K94.3Very high88.6Confident147 Ų147118.7 Ų118.764%0.63958%0.576SS**Hα-helixtrans-62.3-41174.1-167.7174.9-178.4178.60112.2Y19 A20 K26 K27Y19-K23 WeakPolarHBondContact O-CB 3.41Å; Y19-K23 PolarHBondContact O-N 2.87Å; A20-K23 PolarHBondContact O-N 3.1Å; K23-K26 PolarHBondContact O-N 2.91Å; K23-K27 PolarHBondContact O-N 2.83Å
24K92.9Very high87.8Confident164 Ų164122 Ų12271%0.71359%0.589SS**Hα-helixtrans-62.9-46.7173.6-72.6179.4-178.5-176.60111.7A20 K21 L22 K26 K27 A28A20-K24 WeakPolarHBondContact O-CG 3.49Å; A20-K24 PolarHBondContact O-N 2.89Å; K21-K24 PolarHBondContact O-N 2.79Å; L22-K24 PolarHBondContact O-N 3.26Å; K24-K26 PolarHBondContact O-N 3.07Å; K24-K27 PolarHBondContact O-N 2.86Å; K24-A28 PolarHBondContact O-N 2.76Å
25K91.6Very high86.4Confident160 Ų160127 Ų12770%0.69661%0.608SS**Hα-helixtrans-61.8-42.4176.7-72.9-172.6175.4-172.40112.4K21 L22 K27 A28 L29K21-K25 PolarHBondContact O-N 3.15Å; L22-K25 PolarHBondContact O-N 2.82Å; K25-K27 VanDerWaalsContact C-N 3.35Å; K25-K27 PolarHBondContact O-N 2.72Å; K25-A28 PolarHBondContact O-N 2.88Å; K25-L29 PolarHBondContact O-N 3.27Å
26K93.4Very high84.6Confident140 Ų140125.6 Ų125.661%0.60961%0.607SS**Hα-helixtrans-60.9-41.7175.9-174177.1179.6177.40112L22 K23 K24 L29 L30L22-K26 WeakPolarHBondContact O-CB 3.29Å; L22-K26 PolarHBondContact O-N 3.25Å; K23-K26 PolarHBondContact O-N 2.91Å; K24-K26 PolarHBondContact O-N 3.07Å; K26-L29 PolarHBondContact O-N 2.83Å; K26-L30 HydrophobicContact CG-CD1 4.28Å; K26-L30 WeakPolarHBondContact O-CB 3.49Å; K26-L30 PolarHBondContact O-N 2.87Å
27K91.9Very high82.7Confident168 Ų168123.1 Ų123.173%0.7360%0.604SS**Hα-helixtrans-64.5-41.3176.6-169.1179.6179.1-176.80111.8K23 K24 K25 L30 A31K23-K27 PolarHBondContact O-N 2.83Å; K24-K27 PolarHBondContact O-N 2.86Å; K25-K27 VanDerWaalsContact C-N 3.35Å; K25-K27 PolarHBondContact O-N 2.72Å; K27-L30 PolarHBondContact O-N 2.8Å; K27-A31 PolarHBondContact O-N 3.35Å; K27-A31 VanDerWaalsContact O-N 3.08Å
28A85.9Confident80.6Confident62 Ų62122.5 Ų122.551%0.51261%0.611SS.*Hα-helixtrans-64.6-42.8175.600000112.3K24 K25 L30 A31 L32K24-A28 PolarHBondContact O-N 2.76Å; K25-A28 PolarHBondContact O-N 2.88Å; A28-L30 PolarHBondContact O-N 2.82Å; A28-A31 WeakPolarHBondContact O-CB 3.32Å; A28-A31 PolarHBondContact O-N 2.98Å; A28-L32 PolarHBondContact O-N 2.81Å
29L84.1Confident78.6Confident123 Ų123122.8 Ų122.864%0.64462%0.619SS**Hα-helixtrans-63.1-39.5176.3-111.1170.3000112.7K25 K26 A31 L32 K33K25-L29 PolarHBondContact O-N 3.27Å; K26-L29 PolarHBondContact O-N 2.83Å; L29-A31 VanDerWaalsContact C-N 3.35Å; L29-L32 PolarHBondContact O-N 2.91Å; L29-K33 WeakPolarHBondContact O-CB 3.37Å; L29-K33 PolarHBondContact O-N 3.11Å
30L84.1Confident76.1Confident97 Ų97122.1 Ų122.151%0.50862%0.621SS.*Hα-helixtrans-65.2-36.8174.6-93.2156000112.6K26 K27 A28 K33 K34K26-L30 HydrophobicContact CG-CD1 4.28Å; K26-L30 WeakPolarHBondContact O-CB 3.49Å; K26-L30 PolarHBondContact O-N 2.87Å; K27-L30 PolarHBondContact O-N 2.8Å; A28-L30 PolarHBondContact O-N 2.82Å; L30-K33 PolarHBondContact O-N 3.04Å; L30-K34 PolarHBondContact O-N 3.35Å
31A78.3Confident73.3Confident56 Ų56126.8 Ų126.846%0.46365%0.645SS.*Hα-helixtrans-65.9-41.9174.100000111.4K27 A28 L29 K34 Q35K27-A31 PolarHBondContact O-N 3.35Å; K27-A31 VanDerWaalsContact O-N 3.08Å; A28-A31 WeakPolarHBondContact O-CB 3.32Å; A28-A31 PolarHBondContact O-N 2.98Å; L29-A31 VanDerWaalsContact C-N 3.35Å; A31-K34 PolarHBondContact O-N 3.04Å; A31-Q35 PolarHBondContact O-N 3.36Å
32L72.7Confident70.6Confident121 Ų121126 Ų12663%0.63465%0.648SS**Hα-helixtrans-64.8-40.2176.1-138.7106.2000112A28 L29 K34 Q35 S36A28-L32 PolarHBondContact O-N 2.81Å; L29-L32 PolarHBondContact O-N 2.91Å; L32-K34 PolarHBondContact O-N 3.46Å; L32-Q35 PolarHBondContact O-N 3.46Å; L32-S36 PolarHBondContact O-N 3.03Å; L32-S36 VanDerWaalsContact O-N 3.13Å
33K78.2Confident68.1Low149 Ų149129.1 Ų129.165%0.64866%0.66SS**Hα-helixtrans-67.5-32.7176.7-171.8170.1-179.8175.60112.7L29 L30 Q35 S36 S37L29-K33 WeakPolarHBondContact O-CB 3.37Å; L29-K33 PolarHBondContact O-N 3.11Å; L30-K33 PolarHBondContact O-N 3.04Å; K33-Q35 VanDerWaalsContact C-N 3.33Å; K33-S36 PolarHBondContact O-N 3.3Å; K33-S36 PolarHBondContact O-OG 3.45Å; K33-S37 WeakPolarHBondContact O-CB 3.33Å; K33-S37 PolarHBondContact O-N 2.99Å; K33-S37 PolarHBondContact O-OG 2.97Å
34K69.2Low65.3Low157 Ų157127.6 Ų127.668%0.68367%0.667SS**Hα-helixtrans-68-31.7172.8-88.6-172.2173.5-171.90112.9L30 A31 L32 S37L30-K34 PolarHBondContact O-N 3.35Å; A31-K34 PolarHBondContact O-N 3.04Å; L32-K34 PolarHBondContact O-N 3.46Å; K34-S37 PolarHBondContact O-OG 2.98Å
35Q59.3Low63Low151 Ų151123 Ų12371%0.70667%0.667SS**Hα-helixtrans-74.5-26.9173.2-71.9-179.5-2400112.6A31 L32 K33 T38A31-Q35 PolarHBondContact O-N 3.36Å; L32-Q35 PolarHBondContact O-N 3.46Å; K33-Q35 VanDerWaalsContact C-N 3.33Å; Q35-T38 PolarHBondContact O-OG1 3.36Å
36S54.4Low60.7Low77 Ų77123.2 Ų123.254%0.53868%0.675SS.*Hα-helixtrans-85-20.4175.8820000113.9L32 K33L32-S36 PolarHBondContact O-N 3.03Å; L32-S36 VanDerWaalsContact O-N 3.13Å; K33-S36 PolarHBondContact O-N 3.3Å; K33-S36 PolarHBondContact O-OG 3.45Å
37S49.5Very low58.6Low78 Ų78126.3 Ų126.355%0.54569%0.688SS.*G310 helixtrans-83.2-2.9-177.963.30000115.3K33 K34 N39K33-S37 WeakPolarHBondContact O-CB 3.33Å; K33-S37 PolarHBondContact O-N 2.99Å; K33-S37 PolarHBondContact O-OG 2.97Å; K34-S37 PolarHBondContact O-OG 2.98Å; S37-N39 VanDerWaalsContact C-N 3.29Å
38T46.6Very low56.2Low111 Ų111128.6 Ų128.668%0.68169%0.693SS**G310 helixtrans-83.5-1.3173.453.80000113.8Q35Q35-T38 PolarHBondContact O-OG1 3.36Å
39N50.2Low54.1Low142 Ų142131 Ų13176%0.75970%0.701SS**G310 helixtrans-11727.6-177.1-76.7-15.3000114.4S37S37-N39 VanDerWaalsContact C-N 3.29Å
40Q41.9Very low52.1Low151 Ų151134.2 Ų134.271%0.70672%0.718SS**  trans-126.888.4173.2-68.5-169.74.800111.8
41T35.4Very low50.3Low146 Ų146133.7 Ų133.790%0.89672%0.722SS**  trans-99.3117.914547.50000107.7
42N37Very low49Very low133 Ų133137.7 Ų137.771%0.71174%0.736SS**  trans-85.4130.1176-72.9-51.5000109.6
43Q38.9Very low47.9Very low179 Ų179140.4 Ų140.484%0.83675%0.745SS**  144.2145.2117.6-76.5-142.523.400114.2
44S35.2Very low46.6Very low114 Ų114138.2 Ų138.280%0.79775%0.746SS**  trans76121.8166.173.60000115.9
45G45.4Very low46Very low69 Ų69137.2 Ų137.271%0.71175%0.753SS**  trans-62.7149-173.800000112.1
46L42.8Very low45.8Very low164 Ų164135 Ų13586%0.85975%0.75SS**  trans-167.3147.2141.1-122.777.1000107.9R48L46-R48 PolarHBondContact O-N 3.44Å
47K49.2Very low45.8Very low204 Ų204136.6 Ų136.689%0.88775%0.752SS**  trans-38.6123.1176-57.8175.1179.2179.70111.5
48R41.9Very low46.3Very low217 Ų217138.6 Ų138.682%0.81976%0.761SS**  trans-94.3103.1172.1-70.2-178.267.295.41.2110L46L46-R48 PolarHBondContact O-N 3.44Å
49T41.7Very low46.9Very low112 Ų112136 Ų13669%0.68775%0.751SS**  trans-64.7143.5157.8460000109.5S51T49-S51 VanDerWaalsContact C-N 3.27Å; T49-S51 PolarHBondContact O-N 2.89Å
50L42.7Very low47.8Very low191 Ų191132.1 Ų132.1100%173%0.732SS**SBendtrans-68.572.5176.4-78.9156.5000111.2
51S46.9Very low49.3Very low85 Ų85127.5 Ų127.559%0.59472%0.72SS**  trans-148.817.5179.565.60000117.1T49T49-S51 VanDerWaalsContact C-N 3.27Å; T49-S51 PolarHBondContact O-N 2.89Å
52D50.7Low51.3Low140 Ų140124.1 Ų124.175%0.74970%0.699SS**  trans-142.369.1170.6-91.1-36.9000111.2
53Q49.2Very low53.4Low178 Ų178123.9 Ų123.983%0.83269%0.694SS**  trans-89.9138152.7-93-158.8-24.700108.2V55Q53-V55 PolarHBondContact O-N 2.94Å
54P51.4Low55.4Low104 Ų104121.5 Ų121.568%0.67568%0.683SS**  trans-61.8129.1167.628.2-32.2000107.8V56P54-V56 PolarHBondContact O-N 2.94Å
55V55.6Low57.5Low136 Ų136118.2 Ų118.282%0.82466%0.662SS**  trans-67.982.5173.2-175.60000107.3Q53 D57Q53-V55 PolarHBondContact O-N 2.94Å; V55-D57 PolarHBondContact O-N 2.88Å
56V55.6Low59.3Low105 Ų105121.8 Ų121.864%0.63666%0.658SS**  trans-75115160.4-1000000106.1P54 T58P54-V56 PolarHBondContact O-N 2.94Å; V56-T58 PolarHBondContact O-N 3.46Å
57D54.3Low61.4Low110 Ų110120.3 Ų120.359%0.58865%0.649SS**  trans-39.9116178.1-77.2-38.5000110.1V55 A59 T60V55-D57 PolarHBondContact O-N 2.88Å; D57-A59 PolarHBondContact O-N 3.18Å; D57-T60 HydrophobicContact CB-CG2 4.1Å; D57-T60 PolarHBondContact O-N 3.46Å; D57-T60 PolarHBondContact O-OG1 2.65Å
58T59.1Low63.1Low120 Ų120114.2 Ų114.274%0.73663%0.625SS**Hα-helixtrans-56.1-24.9-176.454.30000112V56 T62V56-T58 PolarHBondContact O-N 3.46Å; T58-T62 WeakPolarHBondContact O-CG2 3.12Å; T58-T62 PolarHBondContact O-N 3.45Å
59A60.1Low65.1Low56 Ų56108 Ų10846%0.46361%0.607SS.*Hα-helixtrans-56.5-48.8171.200000111.9D57 A61 T62 E63D57-A59 PolarHBondContact O-N 3.18Å; A59-A61 PolarHBondContact O-N 3.47Å; A59-T62 PolarHBondContact O-N 3.18Å; A59-T62 PolarHBondContact O-OG1 3.04Å; A59-E63 PolarHBondContact O-N 3.45Å; A59-E63 VanDerWaalsContact O-N 3.15Å
60T69.4Low67.3Low61 Ų61111.7 Ų111.737%0.37461%0.614SS.*Hα-helixtrans-66.4-37.3-177.664.60000112.5D57 E63 Q64D57-T60 HydrophobicContact CB-CG2 4.1Å; D57-T60 PolarHBondContact O-N 3.46Å; D57-T60 PolarHBondContact O-OG1 2.65Å; T60-E63 PolarHBondContact O-N 3.47Å; T60-Q64 WeakPolarHBondContact O-CG 3.29Å; T60-Q64 PolarHBondContact O-N 2.93Å
61A72.4Confident69.4Low53 Ų53106.6 Ų106.644%0.43859%0.594SS.*Hα-helixtrans-66.3-39177.100000112.1A59 A65A59-A61 PolarHBondContact O-N 3.47Å; A61-A65 WeakPolarHBondContact O-CB 3.21Å; A61-A65 PolarHBondContact O-N 2.98Å
62T77.2Confident71.1Confident76 Ų76105.5 Ų105.547%0.46660%0.596SS.*Hα-helixtrans-68.5-34.7176.963.20000112.6T58 A59 A65 K66T58-T62 WeakPolarHBondContact O-CG2 3.12Å; T58-T62 PolarHBondContact O-N 3.45Å; A59-T62 PolarHBondContact O-N 3.18Å; A59-T62 PolarHBondContact O-OG1 3.04Å; T62-A65 PolarHBondContact O-N 3.21Å; T62-K66 WeakPolarHBondContact O-CG 3.3Å; T62-K66 PolarHBondContact O-N 3.3Å
63E82.3Confident72.6Confident127 Ų127102.1 Ų102.159%0.59359%0.588SS**Hα-helixtrans-71.9-40.3177.2-70.2-168.616600112.1A59 T60 A65 K66 M67A59-E63 PolarHBondContact O-N 3.45Å; A59-E63 VanDerWaalsContact O-N 3.15Å; T60-E63 PolarHBondContact O-N 3.47Å; E63-A65 VanDerWaalsContact C-N 3.32Å; E63-A65 PolarHBondContact O-N 3.32Å; E63-K66 PolarHBondContact O-N 3.47Å; E63-M67 WeakPolarHBondContact O-CB 3.43Å; E63-M67 VanDerWaalsContact O-CG 3.23Å; E63-M67 WeakPolarHBondContact O-CG 3.4Å; E63-M67 PolarHBondContact O-N 3.08Å
64Q80.4Confident73.8Confident130 Ų13097.8 Ų97.861%0.60757%0.569SS**Hα-helixtrans-61.4-41.7172.6-71.8-179.614.500111.6T60 K66 M67 L68T60-Q64 WeakPolarHBondContact O-CG 3.29Å; T60-Q64 PolarHBondContact O-N 2.93Å; Q64-K66 PolarHBondContact O-N 3.46Å; Q64-M67 WeakPolarHBondContact O-CB 3.36Å; Q64-M67 PolarHBondContact O-N 3.36Å; Q64-L68 WeakPolarHBondContact O-CG 3.35Å; Q64-L68 PolarHBondContact O-N 3.06Å
65A78.9Confident74.9Confident45 Ų4597.8 Ų97.837%0.37257%0.572SS.*Hα-helixtrans-62.6-42.6175.100000112.2A61 T62 E63 M67 L68 I69A61-A65 WeakPolarHBondContact O-CB 3.21Å; A61-A65 PolarHBondContact O-N 2.98Å; T62-A65 PolarHBondContact O-N 3.21Å; E63-A65 VanDerWaalsContact C-N 3.32Å; E63-A65 PolarHBondContact O-N 3.32Å; A65-M67 VanDerWaalsContact C-N 3.35Å; A65-M67 PolarHBondContact O-N 3.13Å; A65-L68 PolarHBondContact O-N 3.32Å; A65-I69 WeakPolarHBondContact O-CG1 3.46Å; A65-I69 PolarHBondContact O-N 3.49Å
66K84.4Confident76Confident144 Ų14494.6 Ų94.663%0.62656%0.56SS**Hα-helixtrans-62.5-40.8174.7-75.2173.8-177.2174.80112.1T62 E63 Q64 L68 I69 K70T62-K66 WeakPolarHBondContact O-CG 3.3Å; T62-K66 PolarHBondContact O-N 3.3Å; E63-K66 PolarHBondContact O-N 3.47Å; Q64-K66 PolarHBondContact O-N 3.46Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-I69 PolarHBondContact O-N 3.22Å; K66-K70 VanDerWaalsContact O-CB 3.27Å; K66-K70 WeakPolarHBondContact O-CB 2.99Å; K66-K70 PolarHBondContact O-N 2.9Å
67M85.2Confident76.9Confident132 Ų13297.5 Ų97.565%0.6557%0.57SS**Hα-helixtrans-62.1-41.2176.6-73.9-88.8-77.700111.6E63 Q64 A65 K70 S71E63-M67 WeakPolarHBondContact O-CB 3.43Å; E63-M67 VanDerWaalsContact O-CG 3.23Å; E63-M67 WeakPolarHBondContact O-CG 3.4Å; E63-M67 PolarHBondContact O-N 3.08Å; Q64-M67 WeakPolarHBondContact O-CB 3.36Å; Q64-M67 PolarHBondContact O-N 3.36Å; A65-M67 VanDerWaalsContact C-N 3.35Å; A65-M67 PolarHBondContact O-N 3.13Å; M67-K70 PolarHBondContact O-N 3.35Å; M67-S71 VanDerWaalsContact O-CB 3.3Å; M67-S71 WeakPolarHBondContact O-CB 3.38Å; M67-S71 PolarHBondContact O-N 3.32Å; M67-S71 PolarHBondContact O-OG 3.46Å
68L86.4Confident77.6Confident77 Ų77101.3 Ų101.340%0.40358%0.582SS.*Hα-helixtrans-71.2-33.3178.8-69.8170.6000113.5Q64 A65 K66 S71 G72 A73 I74Q64-L68 WeakPolarHBondContact O-CG 3.35Å; Q64-L68 PolarHBondContact O-N 3.06Å; A65-L68 PolarHBondContact O-N 3.32Å; K66-L68 VanDerWaalsContact C-N 3.34Å; L68-S71 WeakPolarHBondContact CA-OG 3.35Å; L68-S71 PolarHBondContact O-OG 3.44Å; L68-G72 PolarHBondContact O-N 3.01Å; L68-A73 HydrophobicContact CB-CB 4.44Å; L68-A73 HydrophobicContact CD2-CB 3.91Å; L68-A73 PolarHBondContact O-N 2.97Å; L68-I74 HydrophobicContact CB-CD1 3.84Å; L68-I74 HydrophobicContact CB-CG1 4.15Å; L68-I74 HydrophobicContact CD1-CD1 4Å; L68-I74 PolarHBondContact O-N 3.47Å
69I83.6Confident77.6Confident85 Ų85100.7 Ų100.744%0.43658%0.582SS.*Hα-helixtrans-68.8-43.5170.9-65.8167.5000109.8A65 K66 S71 G72 I74 A76A65-I69 WeakPolarHBondContact O-CG1 3.46Å; A65-I69 PolarHBondContact O-N 3.49Å; K66-I69 PolarHBondContact O-N 3.22Å; I69-S71 VanDerWaalsContact C-N 3.33Å; I69-S71 PolarHBondContact O-N 3.03Å; I69-G72 PolarHBondContact O-N 3.42Å; I69-G72 VanDerWaalsContact O-N 3.16Å; I69-I74 HydrophobicContact CG1-CB 4.42Å; I69-A76 HydrophobicContact CG2-CB 4.34Å
70K87.1Confident77.2Confident190 Ų190104.5 Ų104.583%0.82659%0.591SS**Hα-helixtrans-67.4-32.7179-166.5175.8-177.1-178.20112.6K66 M67 G72K66-K70 VanDerWaalsContact O-CB 3.27Å; K66-K70 WeakPolarHBondContact O-CB 2.99Å; K66-K70 PolarHBondContact O-N 2.9Å; M67-K70 PolarHBondContact O-N 3.35Å; K70-G72 VanDerWaalsContact C-N 3.26Å
71S87.5Confident76.8Confident84 Ų84107.5 Ų107.559%0.58761%0.609SS**THydrogen-bonded Turntrans-83.1-0.2175.376.80000113.3M67 L68 I69 A73M67-S71 VanDerWaalsContact O-CB 3.3Å; M67-S71 WeakPolarHBondContact O-CB 3.38Å; M67-S71 PolarHBondContact O-N 3.32Å; M67-S71 PolarHBondContact O-OG 3.46Å; L68-S71 WeakPolarHBondContact CA-OG 3.35Å; L68-S71 PolarHBondContact O-OG 3.44Å; I69-S71 VanDerWaalsContact C-N 3.33Å; I69-S71 PolarHBondContact O-N 3.03Å; S71-A73 PolarHBondContact O-N 2.91Å
72G82.4Confident76Confident62 Ų62112.4 Ų112.464%0.63962%0.62SS**THydrogen-bonded Turntrans69.810.6179.600000114.9L68 I69 K70 I74L68-G72 PolarHBondContact O-N 3.01Å; I69-G72 PolarHBondContact O-N 3.42Å; I69-G72 VanDerWaalsContact O-N 3.16Å; K70-G72 VanDerWaalsContact C-N 3.26Å; G72-I74 PolarHBondContact O-N 3.47Å
73A81.6Confident74.9Confident69 Ų69116.6 Ų116.657%0.5764%0.64SS**SBendtrans-71.2-23.917600000111.8L68 S71L68-A73 HydrophobicContact CB-CB 4.44Å; L68-A73 HydrophobicContact CD2-CB 3.91Å; L68-A73 PolarHBondContact O-N 2.97Å; S71-A73 PolarHBondContact O-N 2.91Å
74I74.6Confident73.8Confident87 Ų87116.1 Ų116.145%0.44665%0.65SS.*SBendtrans-130.2125.5175.4-57.2175000108.2L68 I69 G72L68-I74 HydrophobicContact CB-CD1 3.84Å; L68-I74 HydrophobicContact CB-CG1 4.15Å; L68-I74 HydrophobicContact CD1-CD1 4Å; L68-I74 PolarHBondContact O-N 3.47Å; I69-I74 HydrophobicContact CG1-CB 4.42Å; G72-I74 PolarHBondContact O-N 3.47Å
75S75.4Confident72.3Confident105 Ų105113 Ų11373%0.73465%0.653SS**  trans-72.8129.8172.343.20000110.2I77S75-I77 PolarHBondContact O-N 3.37Å
76A77.2Confident71.3Confident69 Ų69120.2 Ų120.257%0.5768%0.676SS**  trans-61.4124.7173.700000109.2I69 K78I69-A76 HydrophobicContact CG2-CB 4.34Å; A76-K78 PolarHBondContact O-N 3.05Å
77I74.9Confident69.8Low165 Ų165123.1 Ų123.185%0.84669%0.689SS**  trans-62.7106.2175.8-58.5171.6000107S75 S79S75-I77 PolarHBondContact O-N 3.37Å; I77-S79 PolarHBondContact O-N 2.96Å; I77-S79 VanDerWaalsContact O-N 3.16Å
78K68.8Low68.5Low190 Ų190127.5 Ų127.583%0.82670%0.698SS**  trans-63.5115.6164.9-80.4-179.2177.51780106.5A76 E80A76-K78 PolarHBondContact O-N 3.05Å; K78-E80 PolarHBondContact O-N 2.9Å
79S60.3Low66.8Low107 Ų107128.7 Ų128.775%0.74871%0.713SS**  trans-68.188171.156.30000108.5I77 T81I77-S79 PolarHBondContact O-N 2.96Å; I77-S79 VanDerWaalsContact O-N 3.16Å; S79-T81 PolarHBondContact O-N 3.24Å
80E51.9Low65.6Low137 Ų137136 Ų13664%0.6474%0.735SS**  trans-66.5112.8162.6-74-165.6159.400107.6K78 K82K78-E80 PolarHBondContact O-N 2.9Å; E80-K82 HydrophobicContact CB-CG 4.47Å; E80-K82 PolarHBondContact O-N 2.73Å; E80-K82 WeakPolarHBondContact OE2-CE 3Å; E80-K82 IonicContact OE2-NZ 3.85Å; E80-K82 PolarHBondContact OE2-NZ 3.48Å
81T60.6Low64Low124 Ų124134.9 Ų134.976%0.76174%0.735SS**  trans-69.968.2170.840.10000109.9S79 N83S79-T81 PolarHBondContact O-N 3.24Å; T81-N83 PolarHBondContact O-N 3.49Å
82K55.2Low62.4Low155 Ų155138.1 Ų138.167%0.67475%0.745SS**  trans-80.9112.5161.7-67.1-177.4-177.3156.10106.4E80 S84E80-K82 HydrophobicContact CB-CG 4.47Å; E80-K82 PolarHBondContact O-N 2.73Å; E80-K82 WeakPolarHBondContact OE2-CE 3Å; E80-K82 IonicContact OE2-NZ 3.85Å; E80-K82 PolarHBondContact OE2-NZ 3.48Å; K82-S84 PolarHBondContact O-N 3.21Å
83N54.5Low60.9Low164 Ų164144 Ų14488%0.87776%0.756SS**SBendtrans-67.746.2-179.4-60.1-24.4000112.7T81T81-N83 PolarHBondContact O-N 3.49Å
84S59.6Low59.5Low117 Ų117148.3 Ų148.382%0.81877%0.768SS**  trans-129.380.1177.9-171.40000108K82K82-S84 PolarHBondContact O-N 3.21Å
85G49.2Very low58.5Low64 Ų64153.5 Ų153.566%0.6679%0.787SS**  trans-137.8133.2175.500000108.8K87G85-K87 PolarHBondContact O-N 3.25Å
86F56.8Low57.4Low197 Ų197156.4 Ų156.486%0.86479%0.793SS**  trans-35.4122.8170.9-171.2-99.8000110.9R88F86-R88 PolarHBondContact O-N 3.32Å
87K54.1Low56.2Low205 Ų205162 Ų16289%0.89181%0.805SS**  trans-53.295.6-175.9-68.9179.5178.1178.50110.5G85G85-K87 PolarHBondContact O-N 3.25Å
88R57.8Low54.6Low224 Ų224161.3 Ų161.385%0.84580%0.803SS**  trans-88129.6162.6-67.2-170.5-71.9-139.81.2107.3F86 R90F86-R88 PolarHBondContact O-N 3.32Å; R88-R90 PolarHBondContact O-N 3.22Å
89S50.1Low54Low102 Ų102158.6 Ų158.671%0.71381%0.805SS**  trans-58.2123.5-178.9510000110.8M91S89-M91 PolarHBondContact O-N 2.91Å
90R58Low53.7Low239 Ų239162.2 Ų162.290%0.90281%0.81SS**SBendtrans-70.265.3173.6-62.6-168.2-155.3179.95.2111.9R88R88-R90 PolarHBondContact O-N 3.22Å
91M53.2Low53.4Low166 Ų166165.5 Ų165.582%0.81882%0.822SS**  trans-130.811.4175.7-69.1-149.774.500114.8S89S89-M91 PolarHBondContact O-N 2.91Å
92L53.6Low53.1Low153 Ų153162.5 Ų162.580%0.80182%0.816SS**SBendtrans-117.9-2.5179.8-87.7160.4000115.3
93E51.6Low52.9Low185 Ų185161.7 Ų161.786%0.86483%0.827SS**THydrogen-bonded Turntrans-94.43.5-177-67.1-174.7173.200114.6
94I51.8Low52.6Low160 Ų160158.3 Ų158.382%0.82182%0.821SS**THydrogen-bonded Turntrans-93.9-0.2-179.4-63.3175.7000112.8
95K54.7Low52.2Low195 Ų195159 Ų15985%0.84882%0.823SS**SBendtrans-122.641.4-176.7-67.6-170.5176.8-1770114.6
96L52Low52.2Low166 Ų166160.3 Ų160.387%0.86983%0.827SS**SBendtrans-142.137.9171.7-106138.6000112.9
97K50.7Low51.6Low187 Ų187159.7 Ų159.781%0.81383%0.825SS**SBendtrans-145.789.7164-149.677.9169.5-167.30108.4
98D42.7Very low52.3Low151 Ų151157 Ų15781%0.80782%0.82SS**  trans169.6106.1148.7-85.9-19.5000109.6E100D98-E100 PolarHBondContact O-N 3.21Å
99P56.7Low52.4Low133 Ų133150.1 Ų150.186%0.86480%0.804SS**  trans-93.842.2-179.138.1-34.8000113.1
100E53.3Low52.3Low182 Ų182154.4 Ų154.485%0.8581%0.81SS**  trans-14133.8-173.8-96.5-89.5134.500113.2D98D98-E100 PolarHBondContact O-N 3.21Å
101K44.5Very low51.8Low206 Ų206152.4 Ų152.490%0.89681%0.811SS**  trans-141.5116167.9-140.9162.6-175.5172.60111.5
102G54.6Low51Low62 Ų62155.4 Ų155.464%0.63981%0.813SS**PPolyproline II helixtrans-58.7173.8-17700000114.7A104G102-A104 PolarHBondContact O-N 3.24Å
103P51.2Low50.5Low138 Ų138153.7 Ų153.790%0.89681%0.814SS**PPolyproline II helixtrans-68.1122.6-164.828-33.3000111.3
104A49.3Very low49.9Very low92 Ų92151.2 Ų151.276%0.7681%0.811SS**PPolyproline II helixtrans-74.2144.8169.600000110.5G102G102-A104 PolarHBondContact O-N 3.24Å
105P50.7Low49.2Very low131 Ų131148.8 Ų148.885%0.85181%0.808SS**PPolyproline II helixtrans-72.8139.3-169.229-34.2000112.6
106A48.2Very low48.3Very low92 Ų92146.2 Ų146.276%0.7681%0.809SS**PPolyproline II helixtrans-73.8134178.400000111.8
107F45.6Very low47.6Very low184 Ų184145.1 Ų145.181%0.80780%0.804SS**PPolyproline II helixtrans-73.8119.8176.5-180-99.7000110.7P109F107-P109 HydrophobicContact CE1-CB 3.97Å
108L68.1Low46.9Very low150 Ų150143 Ų14379%0.78580%0.802SS**  trans-112.4117.5174.8-67.6177.1000110.1
109P59.6Low46.4Very low79 Ų79142 Ų14251%0.51380%0.796SS.*  trans-906.4-166.330.9-32.6000117F107F107-P109 HydrophobicContact CE1-CB 3.97Å
110F48Very low45.7Very low192 Ų192141 Ų14184%0.84279%0.789SS**  trans-148.696.6178.1-57.7-75.1000112.6
111Q47.1Very low44.7Very low196 Ų196140.3 Ų140.392%0.91679%0.786SS**  trans-124128.8152.7-74.6-163.2-63.800109.9
112R37.8Very low44Very low229 Ų229139.2 Ų139.286%0.86478%0.784SS**  trans-86.2130.1-168.1-166.2170.6-180-1173.9108.3V114R112-V114 PolarHBondContact O-N 3.32Å
113S41.2Very low43.2Very low117 Ų117141.6 Ų141.682%0.81879%0.791SS**  trans-62.1126.3169.835.80000110.2
114V39.8Very low42.4Very low134 Ų134138.5 Ų138.581%0.81278%0.784SS**  trans-109.1130.4159.6-71.90000108R112R112-V114 PolarHBondContact O-N 3.32Å
115S37.6Very low41.9Very low108 Ų108144.4 Ų144.476%0.75579%0.793SS**  trans-88.6141.1-179.3163.60000109.2
116T36.3Very low41.2Very low142 Ų142149.5 Ų149.587%0.87180%0.795SS**  trans-144.3114.6152.328.40000108.1
117D36.2Very low41.1Very low142 Ų142148.8 Ų148.876%0.75980%0.797SS**  trans-53.1138.9154.5-113.4-100.9000110.8
118D35.6Very low41Very low143 Ų143149.1 Ų149.177%0.76580%0.801SS**  176.6129.4120.5-116-68.3000111.8
119D33.5Very low40Very low131 Ų131150.8 Ų150.870%0.70181%0.807SS**  trans56.6128.1164.5-95.3-53.7000125
120P40.7Very low39.9Very low110 Ų110155.7 Ų155.771%0.71482%0.82SS**  trans-109.6134.1164.436.5-23.6000113
121H32.2Very low40.3Very low169 Ų169150.7 Ų150.778%0.78281%0.809SS**  trans-129.1120.3160.8-90.6-75.9000112.3
122E31.5Very low40.8Very low182 Ų182148.8 Ų148.885%0.8580%0.804SS**  trans58.4138.9149.5-65.7-15313400119.5
123S37.4Very low41.2Very low112 Ų112146.8 Ų146.878%0.78380%0.798SS**  cis-159.71251951.40000109.3
124G34.1Very low41.8Very low74 Ų74148.5 Ų148.576%0.76379%0.793SS**  trans-145.297.8172.900000109.9R126G124-R126 PolarHBondContact O-N 3.48Å
125K39.5Very low42.6Very low215 Ų215147.1 Ų147.194%0.93579%0.79SS**PPolyproline II helixtrans-58.9118.1-171.4-67.9176.3176.5178.90111.8
126R36Very low43.2Very low238 Ų238150.9 Ų150.990%0.89879%0.793SS**PPolyproline II helixtrans-67142.9165.7-71.2177171.7171.4-2.5109.8G124 Q128G124-R126 PolarHBondContact O-N 3.48Å; R126-Q128 PolarHBondContact O-N 3.3Å
127G45.3Very low43.7Very low78 Ų78149.7 Ų149.780%0.80479%0.785SS**PPolyproline II helixtrans-61.8121.8171.200000110.7M129G127-M129 PolarHBondContact O-N 3.18Å
128Q42.8Very low43.8Very low191 Ų191148.1 Ų148.189%0.89379%0.785SS**PPolyproline II helixtrans-72.1122.5170.1-80.4-162.6-29.600109.4R126R126-Q128 PolarHBondContact O-N 3.3Å
129M46.9Very low44.3Very low185 Ų185147.8 Ų147.891%0.91179%0.794SS**PPolyproline II helixtrans-65137.3158-64.9-131.1115.100108.5G127G127-M129 PolarHBondContact O-N 3.18Å
130K58.9Low44.4Very low182 Ų182145.9 Ų145.979%0.79179%0.791SS**PPolyproline II helixtrans-67.9134.2179.2-63.4177.8176.4-175.50110
131S56.9Low44.1Very low87 Ų87147.9 Ų147.961%0.60880%0.796SS**PPolyproline II helixtrans-66.5136.5177.81780000110.7Y133 E134S131-Y133 PolarHBondContact O-N 2.74Å; S131-E134 PolarHBondContact O-N 3.35Å; S131-E134 VanDerWaalsContact O-N 3.14Å
132L57.2Low44.5Very low155 Ų155150 Ų15081%0.81280%0.797SS**THydrogen-bonded Turntrans-63.8-2.2-178.5-68.4170000114.4
133Y45.1Very low44.7Very low188 Ų188151.7 Ų151.774%0.73780%0.797SS**THydrogen-bonded Turntrans-83.7-14.7174.9-163.8-106.2000113.5S131S131-Y133 PolarHBondContact O-N 2.74Å
134E55.3Low44.6Very low152 Ų152157.9 Ų157.971%0.7180%0.803SS**THydrogen-bonded Turntrans-86.3-7.2-178.7-139.2-179.2-174.600113.3S131S131-E134 PolarHBondContact O-N 3.35Å; S131-E134 VanDerWaalsContact O-N 3.14Å
135S54.7Low44.6Very low106 Ų106161.5 Ų161.574%0.74181%0.805SS**THydrogen-bonded Turntrans-103.92.5179.7-68.40000114.9
136F50.8Low45Very low186 Ų186159.4 Ų159.482%0.81680%0.799SS**SBendtrans-115.31.2-174.7-95.2-80.4000116.5
137V46.6Very low44.9Very low118 Ų118156.3 Ų156.372%0.71579%0.794SS**SBendtrans-144.285.1175.6-162.90000111.3
138S39.6Very low44.6Very low109 Ų109161.4 Ų161.476%0.76280%0.797SS**  -178.672128.4-153.50000109.7
139S44.8Very low44.2Very low135 Ų135155.6 Ų155.694%0.94479%0.789SS**  trans-12869.2154.7-83.10000106.9
140S37Very low44.3Very low92 Ų92151.1 Ų151.164%0.64379%0.79SS**  trans-168.2114.4160.7-141.20000103
141D32.9Very low43.3Very low151 Ų151145.7 Ų145.781%0.80779%0.785SS**  cis-147.314346.2-101.1-44.3000111.4
142R41.3Very low42.9Very low214 Ų214150.6 Ų150.681%0.80880%0.801SS**  trans-83.3146.1155.7-57.4-177.7-167.9-177.33.7107.7
143Y35.7Very low42.4Very low218 Ų218147.2 Ų147.286%0.85579%0.791SS**  trans73.1106.6163.9-63.9-79.2000118.9
144R35.7Very low42.8Very low241 Ų241140.8 Ų140.891%0.90977%0.773SS**  trans-162.988.5137.1-163175.4-176.3-168.40.1107.8
145D33.8Very low42.9Very low150 Ų150137.9 Ų137.980%0.80277%0.769SS**  90.4133.498.2-162.545.8000111.8
146E47Very low43.1Very low172 Ų172142.4 Ų142.480%0.80477%0.77SS**  trans-72.1147.2-166.5-61.2-174.2140.300113.1
147E34.1Very low43.5Very low172 Ų172137.5 Ų137.580%0.80475%0.753SS**  -178.3140.5106.4-109.4-164162.700112.5
148E39.2Very low44.2Very low185 Ų185135.3 Ų135.386%0.86474%0.739SS**  trans61.8115142.1-149.5173.5-159.500120
149G35.3Very low45.3Very low70 Ų70133.8 Ų133.872%0.72272%0.723SS**  trans159.373.3161.700000115G151G149-G151 PolarHBondContact O-N 2.95Å
150G48.4Very low46.6Very low90 Ų90134.9 Ų134.993%0.92871%0.706SS**  trans-59.1124.3159.900000110.1
151G38Very low48.1Very low68 Ų68136.2 Ų136.270%0.70170%0.702SS**  trans-148.4111.8177.100000110G149 S153G149-G151 PolarHBondContact O-N 2.95Å; G151-S153 PolarHBondContact O-N 3.49Å; G151-S153 VanDerWaalsContact O-N 3.08Å
152M49.5Very low50Low190 Ų190136.7 Ų136.794%0.93669%0.693SS**  trans-46.6111.9177.4-70.589.7102.700111.9S154M152-S154 PolarHBondContact O-N 3.06Å
153S46.6Very low51.6Low85 Ų85131 Ų13159%0.59468%0.678SS**  trans-61.5118.8164177.90000107.9G151G151-S153 PolarHBondContact O-N 3.49Å; G151-S153 VanDerWaalsContact O-N 3.08Å
154S53Low53.5Low53 Ų53126.9 Ų126.937%0.37166%0.661SS.*  trans-59139.517990.20000109.3M152 R156 D157M152-S154 PolarHBondContact O-N 3.06Å; S154-R156 PolarHBondContact O-N 2.91Å; S154-D157 PolarHBondContact O-N 3.48Å; S154-D157 PolarHBondContact OG-OD2 3.22Å
155S57.1Low55.4Low90 Ų90119.5 Ų119.563%0.62964%0.64SS**Hα-helixtrans-49.1-28.8177.1-168.50000112.6D157 V158 D159S155-D157 PolarHBondContact O-N 3.24Å; S155-V158 PolarHBondContact O-N 3Å; S155-D159 VanDerWaalsContact O-CG 3.23Å; S155-D159 PolarHBondContact O-N 3.22Å
156R59.3Low57.4Low202 Ų202115.6 Ų115.676%0.76262%0.618SS**Hα-helixtrans-69.8-27.8180-66.3178.7177.5174.5-0.8114S154 R160S154-R156 PolarHBondContact O-N 2.91Å; R156-R160 PolarHBondContact O-N 3.27Å
157D57.8Low58.8Low83 Ų83112.4 Ų112.444%0.44461%0.607SS.*Hα-helixtrans-78-37.3177.6-68.7-66.5000111.1S154 S155 R160 E161S154-D157 PolarHBondContact O-N 3.48Å; S154-D157 PolarHBondContact OG-OD2 3.22Å; S155-D157 PolarHBondContact O-N 3.24Å; D157-R160 PolarHBondContact O-N 3.49Å; D157-E161 PolarHBondContact O-N 3.08Å
158V61.6Low60.9Low72 Ų72111.1 Ų111.144%0.43659%0.594SS.*Hα-helixtrans-65.5-39.8172.9-177.30000111.1S155 R160 E161 R162S155-V158 PolarHBondContact O-N 3Å; V158-R160 VanDerWaalsContact C-N 3.34Å; V158-E161 PolarHBondContact O-N 2.95Å; V158-R162 WeakPolarHBondContact O-CB 3.22Å; V158-R162 PolarHBondContact O-N 3.45Å
159D64.1Low62.8Low77 Ų77108.2 Ų108.241%0.41258%0.581SS.*Hα-helixtrans-62.9-40.5174.3-69.8-38.4000111.4S155 R162 D163S155-D159 VanDerWaalsContact O-CG 3.23Å; S155-D159 PolarHBondContact O-N 3.22Å; D159-R162 WeakPolarHBondContact O-CB 3.49Å; D159-R162 PolarHBondContact O-N 3.28Å; D159-D163 PolarHBondContact O-N 3.06Å
160R70.5Confident64.8Low157 Ų157112.9 Ų112.959%0.59258%0.577SS**Hα-helixtrans-69.6-33.2178.9-138.2-177.8-154.9123.53113.4R156 D157 V158 R164R156-R160 PolarHBondContact O-N 3.27Å; D157-R160 PolarHBondContact O-N 3.49Å; V158-R160 VanDerWaalsContact C-N 3.34Å; R160-R164 WeakPolarHBondContact O-CG 3.48Å; R160-R164 PolarHBondContact O-N 3.49Å
161E70Confident66.2Low121 Ų121115.5 Ų115.557%0.56557%0.565SS**Hα-helixtrans-70-42.4171.8-75.3-17116200111.4D157 V158 D163 R164 D165D157-E161 PolarHBondContact O-N 3.08Å; V158-E161 PolarHBondContact O-N 2.95Å; E161-D163 VanDerWaalsContact C-N 3.33Å; E161-D163 PolarHBondContact O-N 3.27Å; E161-R164 PolarHBondContact O-N 3.06Å; E161-D165 PolarHBondContact O-N 3.29Å
162R72.2Confident68.1Low161 Ų161121.1 Ų121.161%0.60857%0.565SS**Hα-helixtrans-58.4-43.5173.9-176.6-179-71.4-96-0.4111.8V158 D159 D165 I166V158-R162 WeakPolarHBondContact O-CB 3.22Å; V158-R162 PolarHBondContact O-N 3.45Å; D159-R162 WeakPolarHBondContact O-CB 3.49Å; D159-R162 PolarHBondContact O-N 3.28Å; R162-D165 PolarHBondContact O-N 3.02Å; R162-I166 HydrophobicContact CG-CD1 4.08Å; R162-I166 VanDerWaalsContact O-CG1 3.25Å; R162-I166 WeakPolarHBondContact O-CG1 3.29Å; R162-I166 PolarHBondContact O-N 2.83Å
163D74.1Confident69.5Low94 Ų94115.7 Ų115.750%0.50354%0.54SS..Hα-helixtrans-62.4-42.6176.4-73.5-22.1000112.1D159 E161 D165 I166 D167D159-D163 PolarHBondContact O-N 3.06Å; E161-D163 VanDerWaalsContact C-N 3.33Å; E161-D163 PolarHBondContact O-N 3.27Å; D163-D165 VanDerWaalsContact C-N 3.32Å; D163-D165 PolarHBondContact O-N 3.43Å; D163-I166 PolarHBondContact O-N 3.48Å; D163-D167 PolarHBondContact O-N 3.33Å
164R75.6Confident70.8Confident132 Ų132120.1 Ų120.150%0.49854%0.543SS..Hα-helixtrans-65.9-34.9175.9-73.7179.9-169.1136.9-1.7112.7R160 E161 D167 R168R160-R164 WeakPolarHBondContact O-CG 3.48Å; R160-R164 PolarHBondContact O-N 3.49Å; E161-R164 PolarHBondContact O-N 3.06Å; R164-D167 PolarHBondContact O-N 3.49Å; R164-R168 VanDerWaalsContact O-CG 3.3Å; R164-R168 WeakPolarHBondContact O-CG 3.41Å; R164-R168 PolarHBondContact O-N 2.86Å
165D75.9Confident72.1Confident85 Ų85119.2 Ų119.246%0.45554%0.542SS..Hα-helixtrans-72.2-36.8177.3-74.7-22.6000111.6E161 R162 D163 R168 E169E161-D165 PolarHBondContact O-N 3.29Å; R162-D165 PolarHBondContact O-N 3.02Å; D163-D165 VanDerWaalsContact C-N 3.32Å; D163-D165 PolarHBondContact O-N 3.43Å; D165-R168 PolarHBondContact O-N 3.38Å; D165-R168 IonicContact OD1-CZ 3.54Å; D165-R168 IonicContact OD1-NH1 3.94Å; D165-R168 PolarHBondContact OD1-NH1 3.24Å; D165-E169 WeakPolarHBondContact O-CB 3.47Å; D165-E169 PolarHBondContact O-N 3.47Å
166I75.1Confident73.1Confident69 Ų69121.7 Ų121.735%0.35454%0.538SS..Hα-helixtrans-59.2-52.5168.7-68.8167.1000109.1R162 D163 R168 E169 W170R162-I166 HydrophobicContact CG-CD1 4.08Å; R162-I166 VanDerWaalsContact O-CG1 3.25Å; R162-I166 WeakPolarHBondContact O-CG1 3.29Å; R162-I166 PolarHBondContact O-N 2.83Å; D163-I166 PolarHBondContact O-N 3.48Å; I166-R168 VanDerWaalsContact C-N 3.3Å; I166-R168 PolarHBondContact O-N 2.82Å; I166-E169 WeakPolarHBondContact O-CA 3.39Å; I166-E169 WeakPolarHBondContact O-CB 3.36Å; I166-E169 PolarHBondContact O-N 2.96Å; I166-W170 VanDerWaalsContact CG2-CD1 3.4Å; I166-W170 PolarHBondContact O-N 3.47Å
167D77.6Confident73.9Confident105 Ų105117.9 Ų117.956%0.56153%0.529SS*.Hα-helixtrans-56.1-42.1179.9-76.9-22.9000113.1D163 R164 E169 W170 E171D163-D167 PolarHBondContact O-N 3.33Å; R164-D167 PolarHBondContact O-N 3.49Å; D167-E169 VanDerWaalsContact C-N 3.33Å; D167-E169 PolarHBondContact O-N 3.26Å; D167-W170 PolarHBondContact O-N 2.95Å; D167-E171 PolarHBondContact O-N 3.24Å
168R78.6Confident74.7Confident145 Ų145123 Ų12355%0.54754%0.542SS..Hα-helixtrans-64.6-35.8175.1-72.4170.5-172.7155.4-2.4112.7R164 D165 I166 R172R164-R168 VanDerWaalsContact O-CG 3.3Å; R164-R168 WeakPolarHBondContact O-CG 3.41Å; R164-R168 PolarHBondContact O-N 2.86Å; D165-R168 PolarHBondContact O-N 3.38Å; D165-R168 IonicContact OD1-CZ 3.54Å; D165-R168 IonicContact OD1-NH1 3.94Å; D165-R168 PolarHBondContact OD1-NH1 3.24Å; I166-R168 VanDerWaalsContact C-N 3.3Å; I166-R168 PolarHBondContact O-N 2.82Å; R168-R172 WeakPolarHBondContact O-CG 3.19Å; R168-R172 PolarHBondContact O-N 3.05Å; R168-R172 VanDerWaalsContact O-N 3.11Å
169E78.6Confident75.3Confident123 Ų123125 Ų12558%0.57555%0.55SS*.Hα-helixtrans-68.5-43.7176.3-170.4168.5-148.200111.1D165 I166 D167 E171 R172 D173D165-E169 WeakPolarHBondContact O-CB 3.47Å; D165-E169 PolarHBondContact O-N 3.47Å; I166-E169 WeakPolarHBondContact O-CA 3.39Å; I166-E169 WeakPolarHBondContact O-CB 3.36Å; I166-E169 PolarHBondContact O-N 2.96Å; D167-E169 VanDerWaalsContact C-N 3.33Å; D167-E169 PolarHBondContact O-N 3.26Å; E169-E171 VanDerWaalsContact C-N 3.34Å; E169-E171 PolarHBondContact O-N 2.72Å; E169-R172 PolarHBondContact O-N 3.48Å; E169-D173 PolarHBondContact O-N 2.9Å
170W76.3Confident76Confident169 Ų169128.4 Ų128.464%0.6456%0.557SS**Hα-helixtrans-61.4-38.1173.8-80.882000112.6I166 D167 D173 R174I166-W170 VanDerWaalsContact CG2-CD1 3.4Å; I166-W170 PolarHBondContact O-N 3.47Å; D167-W170 PolarHBondContact O-N 2.95Å; W170-D173 PolarHBondContact O-N 3.46Å; W170-R174 PolarHBondContact O-N 2.95Å
171E77.9Confident76.1Confident145 Ų145126.9 Ų126.968%0.67856%0.557SS**Hα-helixtrans-65.3-41.1173.4-79.8-167.5163.700112.5D167 E169 G175D167-E171 PolarHBondContact O-N 3.24Å; E169-E171 VanDerWaalsContact C-N 3.34Å; E169-E171 PolarHBondContact O-N 2.72Å; E171-G175 PolarHBondContact O-N 3.33Å
172R79.3Confident76.4Confident185 Ų185128.7 Ų128.770%0.69856%0.558SS**Hα-helixtrans-64.2-40.8175.3-78.8-179.6-176.4174.53.7111.8R168 E169 G175 R176R168-R172 WeakPolarHBondContact O-CG 3.19Å; R168-R172 PolarHBondContact O-N 3.05Å; R168-R172 VanDerWaalsContact O-N 3.11Å; E169-R172 PolarHBondContact O-N 3.48Å; R172-G175 PolarHBondContact O-N 3.12Å; R172-R176 WeakPolarHBondContact O-CG 3.48Å; R172-R176 PolarHBondContact O-N 3.48Å
173D77.9Confident76.6Confident77 Ų77122.2 Ų122.241%0.41254%0.542SS..Hα-helixtrans-71-37.7179.2-86.4-9.5000112.5E169 W170 G175 R176 E177E169-D173 PolarHBondContact O-N 2.9Å; W170-D173 PolarHBondContact O-N 3.46Å; D173-G175 VanDerWaalsContact C-N 3.32Å; D173-G175 PolarHBondContact O-N 2.87Å; D173-R176 PolarHBondContact O-N 2.94Å; D173-R176 IonicContact OD1-CZ 2.79Å; D173-R176 IonicContact OD1-NH1 3.91Å; D173-R176 PolarHBondContact OD1-NH1 3.46Å; D173-E177 PolarHBondContact O-N 3.2Å
174R75Confident76.6Confident178 Ų178125.7 Ų125.767%0.67255%0.548SS*.Hα-helixtrans-60.8-39.7167.5-89-172-179.2145.32.4112.7W170 R176 E177 R178W170-R174 PolarHBondContact O-N 2.95Å; R174-R176 VanDerWaalsContact C-N 3.34Å; R174-E177 PolarHBondContact O-N 3.03Å; R174-R178 PolarHBondContact O-N 3.02Å
175G79.1Confident76.5Confident34 Ų34123.1 Ų123.135%0.35154%0.544SS..Hα-helixtrans-59-46174.300000111.8E171 R172 D173 E177 R178 D179E171-G175 PolarHBondContact O-N 3.33Å; R172-G175 PolarHBondContact O-N 3.12Å; D173-G175 VanDerWaalsContact C-N 3.32Å; D173-G175 PolarHBondContact O-N 2.87Å; G175-E177 PolarHBondContact O-N 3.46Å; G175-R178 PolarHBondContact O-N 3.29Å; G175-D179 PolarHBondContact O-N 2.96Å
176R78.2Confident76.5Confident142 Ų142126.2 Ų126.254%0.53655%0.549SS..Hα-helixtrans-64.7-37.5176.2-71.5170.2174.4169.9-4.2112.9R172 D173 R174 R180R172-R176 WeakPolarHBondContact O-CG 3.48Å; R172-R176 PolarHBondContact O-N 3.48Å; D173-R176 PolarHBondContact O-N 2.94Å; D173-R176 IonicContact OD1-CZ 2.79Å; D173-R176 IonicContact OD1-NH1 3.91Å; D173-R176 PolarHBondContact OD1-NH1 3.46Å; R174-R176 VanDerWaalsContact C-N 3.34Å; R176-R180 WeakPolarHBondContact O-CG 3.46Å; R176-R180 PolarHBondContact O-N 2.65Å
177E75.4Confident76.5Confident121 Ų121126.8 Ų126.857%0.56555%0.553SS**Hα-helixtrans-63-46.4173.4-83.3-170152.700111.9D173 R174 G175 D179 R180 E181D173-E177 PolarHBondContact O-N 3.2Å; R174-E177 PolarHBondContact O-N 3.03Å; G175-E177 PolarHBondContact O-N 3.46Å; E177-D179 VanDerWaalsContact C-N 3.28Å; E177-D179 PolarHBondContact O-N 3.11Å; E177-R180 WeakPolarHBondContact O-CB 3.5Å; E177-R180 PolarHBondContact O-N 3.24Å; E177-R180 VanDerWaalsContact O-N 3.09Å; E177-E181 PolarHBondContact O-N 2.89Å
178R76.1Confident76.6Confident190 Ų190128.8 Ų128.872%0.71755%0.553SS**Hα-helixtrans-61.3-37.9178.3-162.2177.7-166-170.34.8112.3R174 G175 E181 R182R174-R178 PolarHBondContact O-N 3.02Å; G175-R178 PolarHBondContact O-N 3.29Å; R178-E181 PolarHBondContact O-N 2.9Å; R178-R182 WeakPolarHBondContact O-CB 3.39Å; R178-R182 PolarHBondContact O-N 2.95Å
179D74.6Confident76.5Confident114 Ų114125.8 Ų125.861%0.6155%0.548SS*.Hα-helixtrans-67.8-37.4174.9-75.9-24000112.3G175 E177 R182 G183G175-D179 PolarHBondContact O-N 2.96Å; E177-D179 VanDerWaalsContact C-N 3.28Å; E177-D179 PolarHBondContact O-N 3.11Å; D179-R182 PolarHBondContact O-N 3.24Å; D179-G183 PolarHBondContact O-N 3.26Å
180R77.2Confident76.7Confident150 Ų150126.7 Ų126.757%0.56655%0.546SS*.Hα-helixtrans-65.8-41.4173.3-72.9178.4-169.1112-4.5112.1R176 E177 G183 R184R176-R180 WeakPolarHBondContact O-CG 3.46Å; R176-R180 PolarHBondContact O-N 2.65Å; E177-R180 WeakPolarHBondContact O-CB 3.5Å; E177-R180 PolarHBondContact O-N 3.24Å; E177-R180 VanDerWaalsContact O-N 3.09Å; R180-G183 PolarHBondContact O-N 2.78Å; R180-R184 WeakPolarHBondContact O-CG 3.23Å; R180-R184 PolarHBondContact O-N 3.16Å
181E73.9Confident76.9Confident124 Ų124122.9 Ų122.958%0.57954%0.538SS*.Hα-helixtrans-62.3-46.8175.1-73.7-172.5160.200111.3E177 R178 G183 R184 D185E177-E181 PolarHBondContact O-N 2.89Å; R178-E181 PolarHBondContact O-N 2.9Å; E181-G183 PolarHBondContact O-N 3.43Å; E181-R184 WeakPolarHBondContact O-CB 3.27Å; E181-R184 PolarHBondContact O-N 2.82Å; E181-R184 VanDerWaalsContact O-N 3.09Å; E181-D185 PolarHBondContact O-N 3.16Å
182R74.8Confident77.1Confident159 Ų159122.3 Ų122.360%0.653%0.53SS*.Hα-helixtrans-63-31.9176.7-156.5175.1-162.4176.74.8112.5R178 D179 R186R178-R182 WeakPolarHBondContact O-CB 3.39Å; R178-R182 PolarHBondContact O-N 2.95Å; D179-R182 PolarHBondContact O-N 3.24Å; R182-R186 WeakPolarHBondContact O-CG 3.34Å; R182-R186 PolarHBondContact O-N 3.43Å
183G77.1Confident77.2Confident26 Ų26117.5 Ų117.527%0.26852%0.518SS..Hα-helixtrans-63.5-49.4170.500000112.2D179 R180 E181 D185 R186 D187D179-G183 PolarHBondContact O-N 3.26Å; R180-G183 PolarHBondContact O-N 2.78Å; E181-G183 PolarHBondContact O-N 3.43Å; G183-D185 VanDerWaalsContact C-N 3.33Å; G183-D185 PolarHBondContact O-N 3Å; G183-R186 PolarHBondContact O-N 3.34Å; G183-D187 PolarHBondContact O-N 3.5Å
184R74.8Confident77.5Confident167 Ų167119.4 Ų119.463%0.6352%0.519SS*.Hα-helixtrans-61-38.7178.1-73.2177177.9172.10.3112.8R180 E181 D187 R188R180-R184 WeakPolarHBondContact O-CG 3.23Å; R180-R184 PolarHBondContact O-N 3.16Å; E181-R184 WeakPolarHBondContact O-CB 3.27Å; E181-R184 PolarHBondContact O-N 2.82Å; E181-R184 VanDerWaalsContact O-N 3.09Å; R184-D187 PolarHBondContact O-N 2.85Å; R184-R188 WeakPolarHBondContact O-CG 3.35Å; R184-R188 PolarHBondContact O-N 3.27Å
185D73.5Confident77.9Confident78 Ų78116.9 Ų116.942%0.41752%0.515SS..Hα-helixtrans-68.8-40.1178.2-72.1-23.6000112E181 G183 D187 R188 D189E181-D185 PolarHBondContact O-N 3.16Å; G183-D185 VanDerWaalsContact C-N 3.33Å; G183-D185 PolarHBondContact O-N 3Å; D185-D187 VanDerWaalsContact C-N 3.3Å; D185-D187 PolarHBondContact O-N 3.32Å; D185-R188 PolarHBondContact O-N 2.78Å; D185-R188 IonicContact OD1-NH1 2.77Å; D185-R188 PolarHBondContact OD1-NH1 2.95Å; D185-D189 PolarHBondContact O-N 3.47Å
186R76.1Confident78.2Confident149 Ų149121.1 Ų121.156%0.56252%0.521SS*.Hα-helixtrans-61.9-37.4172.6-76177.4-179.2162.80.3112.7R182 G183 D189 R190R182-R186 WeakPolarHBondContact O-CG 3.34Å; R182-R186 PolarHBondContact O-N 3.43Å; G183-R186 PolarHBondContact O-N 3.34Å; R186-D189 PolarHBondContact O-N 2.9Å; R186-R190 WeakPolarHBondContact O-CG 3.04Å; R186-R190 PolarHBondContact O-N 2.72Å
187D74.6Confident78.4Confident82 Ų82120.5 Ų120.544%0.43952%0.524SS..Hα-helixtrans-69.7-40.8177.8-70.1-27.9000111.5G183 R184 D185 D189 R190 D191G183-D187 PolarHBondContact O-N 3.5Å; R184-D187 PolarHBondContact O-N 2.85Å; D185-D187 VanDerWaalsContact C-N 3.3Å; D185-D187 PolarHBondContact O-N 3.32Å; D187-D189 VanDerWaalsContact C-N 3.33Å; D187-D189 PolarHBondContact O-N 2.79Å; D187-R190 PolarHBondContact O-N 2.83Å; D187-R190 IonicContact OD1-NH1 4Å; D187-D191 PolarHBondContact O-N 2.84Å
188R79.3Confident78.9Confident146 Ų146120.9 Ų120.955%0.55152%0.52SS*.Hα-helixtrans-60-41.1172.1-75.1175.3-176.4150.9-5.3112.7R184 D185 D191 R192R184-R188 WeakPolarHBondContact O-CG 3.35Å; R184-R188 PolarHBondContact O-N 3.27Å; D185-R188 PolarHBondContact O-N 2.78Å; D185-R188 IonicContact OD1-NH1 2.77Å; D185-R188 PolarHBondContact OD1-NH1 2.95Å; R188-D191 PolarHBondContact O-N 3.49Å; R188-R192 PolarHBondContact O-N 2.89Å
189D76.8Confident79.2Confident82 Ų82117.2 Ų117.244%0.43951%0.511SS..Hα-helixtrans-67.3-41.8178.6-74.3-23.1000111.4D185 R186 D187 D191 R192 D193D185-D189 PolarHBondContact O-N 3.47Å; R186-D189 PolarHBondContact O-N 2.9Å; D187-D189 VanDerWaalsContact C-N 3.33Å; D187-D189 PolarHBondContact O-N 2.79Å; D189-D191 VanDerWaalsContact C-N 3.3Å; D189-D191 PolarHBondContact O-N 3.47Å; D189-R192 PolarHBondContact O-N 3.05Å; D189-R192 IonicContact OD1-NH1 3.83Å; D189-R192 PolarHBondContact OD1-NH1 2.72Å; D189-D193 PolarHBondContact O-N 3.26Å
190R82Confident79.7Confident143 Ų143118.3 Ų118.354%0.5451%0.506SS..Hα-helixtrans-60.3-38.8171.9-77.6177.9-179152.8-4.4112.6R186 D187 D193 R194R186-R190 WeakPolarHBondContact O-CG 3.04Å; R186-R190 PolarHBondContact O-N 2.72Å; D187-R190 PolarHBondContact O-N 2.83Å; D187-R190 IonicContact OD1-NH1 4Å; R190-D193 PolarHBondContact O-N 2.97Å; R190-R194 WeakPolarHBondContact O-CG 3.41Å; R190-R194 PolarHBondContact O-N 2.92Å
191D80.5Confident80Confident88 Ų88117.6 Ų117.647%0.47151%0.51SS..Hα-helixtrans-68.7-39.5178.5-74.5-22.1000112.2D187 R188 D189 D193 R194 E195D187-D191 PolarHBondContact O-N 2.84Å; R188-D191 PolarHBondContact O-N 3.49Å; D189-D191 VanDerWaalsContact C-N 3.3Å; D189-D191 PolarHBondContact O-N 3.47Å; D191-D193 VanDerWaalsContact C-N 3.33Å; D191-D193 PolarHBondContact O-N 3.49Å; D191-R194 PolarHBondContact O-N 2.9Å; D191-R194 IonicContact OD1-CZ 2.85Å; D191-R194 IonicContact OD1-NH1 2.7Å; D191-R194 PolarHBondContact OD1-NH1 3.5Å; D191-E195 WeakPolarHBondContact O-CB 3.21Å; D191-E195 PolarHBondContact O-N 3.22Å
192R82.6Confident80.4Confident134 Ų134118.4 Ų118.451%0.50651%0.507SS..Hα-helixtrans-61.1-40.6170.8-76.5179.6-173.8148.5-3.7112.2R188 D189 E195 R196R188-R192 PolarHBondContact O-N 2.89Å; D189-R192 PolarHBondContact O-N 3.05Å; D189-R192 IonicContact OD1-NH1 3.83Å; D189-R192 PolarHBondContact OD1-NH1 2.72Å; R192-E195 PolarHBondContact O-N 3.49Å; R192-R196 WeakPolarHBondContact O-CG 3.48Å; R192-R196 PolarHBondContact O-N 3.42Å
193D81.6Confident80.7Confident83 Ų83115.9 Ų115.944%0.44450%0.502SS..Hα-helixtrans-67.5-40.9178.8-74.7-21.1000112D189 R190 D191 E195 R196 E197D189-D193 PolarHBondContact O-N 3.26Å; R190-D193 PolarHBondContact O-N 2.97Å; D191-D193 VanDerWaalsContact C-N 3.33Å; D191-D193 PolarHBondContact O-N 3.49Å; D193-E195 VanDerWaalsContact C-N 3.28Å; D193-E195 PolarHBondContact O-N 3.06Å; D193-R196 PolarHBondContact O-N 3.31Å; D193-R196 IonicContact OD1-CZ 3.06Å; D193-R196 IonicContact OD1-NH1 2.72Å; D193-R196 PolarHBondContact OD1-NH1 2.97Å; D193-E197 PolarHBondContact O-N 3.48Å
194R84.6Confident81Confident117 Ų117123.1 Ų123.144%0.44252%0.522SS..Hα-helixtrans-61.4-36.4171.1-71.5174.6-172.3130-0.6112.2R190 D191 E197 R198R190-R194 WeakPolarHBondContact O-CG 3.41Å; R190-R194 PolarHBondContact O-N 2.92Å; D191-R194 PolarHBondContact O-N 2.9Å; D191-R194 IonicContact OD1-CZ 2.85Å; D191-R194 IonicContact OD1-NH1 2.7Å; D191-R194 PolarHBondContact OD1-NH1 3.5Å; R194-E197 PolarHBondContact O-N 2.87Å; R194-R198 WeakPolarHBondContact O-CG 3.21Å; R194-R198 PolarHBondContact O-N 3.29Å
195E82.5Confident81.3Confident125 Ų125121.4 Ų121.458%0.58452%0.52SS*.Hα-helixtrans-67.7-43.8177.4-165.7171-152.600111.7D191 R192 D193 E197 R198 E199D191-E195 WeakPolarHBondContact O-CB 3.21Å; D191-E195 PolarHBondContact O-N 3.22Å; R192-E195 PolarHBondContact O-N 3.49Å; D193-E195 VanDerWaalsContact C-N 3.28Å; D193-E195 PolarHBondContact O-N 3.06Å; E195-E197 VanDerWaalsContact C-N 3.32Å; E195-E197 PolarHBondContact O-N 3.37Å; E195-R198 PolarHBondContact O-N 2.83Å; E195-E199 PolarHBondContact O-N 3.02Å
196R85.7Confident81.6Confident124 Ų124124.1 Ų124.147%0.46853%0.525SS..Hα-helixtrans-60.8-38.4172.9-70.3171.9-175.7147.1-3.7112.4R192 D193 E199 R200R192-R196 WeakPolarHBondContact O-CG 3.48Å; R192-R196 PolarHBondContact O-N 3.42Å; D193-R196 PolarHBondContact O-N 3.31Å; D193-R196 IonicContact OD1-CZ 3.06Å; D193-R196 IonicContact OD1-NH1 2.72Å; D193-R196 PolarHBondContact OD1-NH1 2.97Å; R196-E199 PolarHBondContact O-N 3.45Å; R196-R200 WeakPolarHBondContact O-CG 3.48Å; R196-R200 PolarHBondContact O-N 3.04Å
197E83.6Confident81.6Confident129 Ų129122.8 Ų122.860%0.60353%0.525SS*.Hα-helixtrans-63.8-46.4174.4-80.8-172.4162.800112.2D193 R194 E195 E199 R200 E201D193-E197 PolarHBondContact O-N 3.48Å; R194-E197 PolarHBondContact O-N 2.87Å; E195-E197 VanDerWaalsContact C-N 3.32Å; E195-E197 PolarHBondContact O-N 3.37Å; E197-E199 PolarHBondContact O-N 3.2Å; E197-R200 PolarHBondContact O-N 2.77Å; E197-E201 WeakPolarHBondContact O-CB 3.14Å; E197-E201 PolarHBondContact O-N 3.42Å
198R85.1Confident81.8Confident129 Ų129126.8 Ų126.849%0.48753%0.534SS..Hα-helixtrans-61.5-34.3175.8-70.6178.4-170.7117.9-3.9112.2R194 E195 R202R194-R198 WeakPolarHBondContact O-CG 3.21Å; R194-R198 PolarHBondContact O-N 3.29Å; E195-R198 PolarHBondContact O-N 2.83Å; R198-R202 VanDerWaalsContact O-CG 3.26Å; R198-R202 WeakPolarHBondContact O-CG 3.39Å; R198-R202 PolarHBondContact O-N 3.17Å
199E83.2Confident81.6Confident113 Ų113122.1 Ų122.153%0.52852%0.524SS..Hα-helixtrans-66.9-47.5175.6-168.2169.9-151.800111.8E195 R196 E197 E201 R202 E203E195-E199 PolarHBondContact O-N 3.02Å; R196-E199 PolarHBondContact O-N 3.45Å; E197-E199 PolarHBondContact O-N 3.2Å; E199-E201 VanDerWaalsContact C-N 3.27Å; E199-E201 PolarHBondContact O-N 3.03Å; E199-R202 WeakPolarHBondContact O-CB 3.41Å; E199-R202 PolarHBondContact O-N 3.37Å; E199-E203 PolarHBondContact O-N 3.46Å
200R84.3Confident81.6Confident136 Ų136124.9 Ų124.951%0.51353%0.528SS..Hα-helixtrans-59.4-37.6173.9-69.5177.6-170.6117.3-2.6112.2R196 E197 E203 R204R196-R200 WeakPolarHBondContact O-CG 3.48Å; R196-R200 PolarHBondContact O-N 3.04Å; E197-R200 PolarHBondContact O-N 2.77Å; R200-E203 PolarHBondContact O-N 3.15Å; R200-R204 WeakPolarHBondContact O-CG 3.5Å; R200-R204 PolarHBondContact O-N 3.27Å
201E82.6Confident81Confident136 Ų136123.6 Ų123.664%0.63653%0.528SS*.Hα-helixtrans-67-41.2177-166.2176.6-159.400112E197 E199 E203 R204 H205E197-E201 WeakPolarHBondContact O-CB 3.14Å; E197-E201 PolarHBondContact O-N 3.42Å; E199-E201 VanDerWaalsContact C-N 3.27Å; E199-E201 PolarHBondContact O-N 3.03Å; E201-E203 VanDerWaalsContact C-N 3.33Å; E201-E203 PolarHBondContact O-N 3.48Å; E201-R204 PolarHBondContact O-N 3.5Å; E201-H205 PolarHBondContact O-N 3.38Å
202R83.6Confident80.8Confident140 Ų140127.5 Ų127.553%0.52854%0.536SS..Hα-helixtrans-63.5-37.6173.1-72169.9-173.2140.7-2.1112.2R198 E199 H205 R206R198-R202 VanDerWaalsContact O-CG 3.26Å; R198-R202 WeakPolarHBondContact O-CG 3.39Å; R198-R202 PolarHBondContact O-N 3.17Å; E199-R202 WeakPolarHBondContact O-CB 3.41Å; E199-R202 PolarHBondContact O-N 3.37Å; R202-H205 PolarHBondContact O-N 2.97Å; R202-R206 WeakPolarHBondContact O-CG 3.42Å; R202-R206 PolarHBondContact O-N 3.37Å
203E80.5Confident80.2Confident106 Ų106125.4 Ų125.450%0.49554%0.535SS..Hα-helixtrans-63.5-49174.1-74.8-171.8155.100111.8E199 R200 E201 H205 R206 E207E199-E203 PolarHBondContact O-N 3.46Å; R200-E203 PolarHBondContact O-N 3.15Å; E201-E203 VanDerWaalsContact C-N 3.33Å; E201-E203 PolarHBondContact O-N 3.48Å; E203-H205 VanDerWaalsContact C-N 3.27Å; E203-H205 PolarHBondContact O-N 2.92Å; E203-R206 WeakPolarHBondContact O-CB 3.48Å; E203-R206 PolarHBondContact O-N 3Å; E203-E207 PolarHBondContact O-N 3.29Å
204R82.5Confident79.8Confident178 Ų178128.8 Ų128.867%0.67254%0.541SS*.Hα-helixtrans-57.4-40.1175.1-71176.7-174.1179.12.3112.2R200 E201 E207 R208R200-R204 WeakPolarHBondContact O-CG 3.5Å; R200-R204 PolarHBondContact O-N 3.27Å; E201-R204 PolarHBondContact O-N 3.5Å; R204-E207 PolarHBondContact O-N 3.05Å; R204-R208 WeakPolarHBondContact O-CB 3.41Å; R204-R208 PolarHBondContact O-N 3.2Å
205H82.3Confident79Confident131 Ų131126.4 Ų126.461%0.60654%0.537SS*.Hα-helixtrans-64.2-42.3176.2-169.6-74.9000111.8E201 R202 E203 R208 S209E201-H205 PolarHBondContact O-N 3.38Å; R202-H205 PolarHBondContact O-N 2.97Å; E203-H205 VanDerWaalsContact C-N 3.27Å; E203-H205 PolarHBondContact O-N 2.92Å; H205-R208 PolarHBondContact O-N 3.05Å; H205-S209 PolarHBondContact O-N 3.12Å; H205-S209 PolarHBondContact O-OG 3.25Å; H205-S209 VanDerWaalsContact O-OG 3.13Å
206R79.6Confident78.4Confident136 Ų136125.3 Ų125.351%0.51353%0.532SS..Hα-helixtrans-64.1-39.9175.9-72.7176-173.3127.9-3112.2R202 E203 S209 R210R202-R206 WeakPolarHBondContact O-CG 3.42Å; R202-R206 PolarHBondContact O-N 3.37Å; E203-R206 WeakPolarHBondContact O-CB 3.48Å; E203-R206 PolarHBondContact O-N 3Å; R206-S209 PolarHBondContact O-N 3.29Å; R206-R210 WeakPolarHBondContact O-CG 3.5Å; R206-R210 PolarHBondContact O-N 3.13Å
207E77Confident77.5Confident121 Ų121124 Ų12457%0.56554%0.535SS*.Hα-helixtrans-62.5-46.2175.3-72.5-176.8165.300111.5E203 R204 S209 R210 E211E203-E207 PolarHBondContact O-N 3.29Å; R204-E207 PolarHBondContact O-N 3.05Å; E207-S209 VanDerWaalsContact C-N 3.33Å; E207-S209 PolarHBondContact O-N 2.95Å; E207-R210 PolarHBondContact O-N 2.92Å; E207-E211 PolarHBondContact O-N 3.31Å
208R78.2Confident76.9Confident166 Ų166124.2 Ų124.263%0.62653%0.53SS*.Hα-helixtrans-64.5-35177.9-158.1174.1-168-173.63.1112.9R204 H205 R212R204-R208 WeakPolarHBondContact O-CB 3.41Å; R204-R208 PolarHBondContact O-N 3.2Å; H205-R208 PolarHBondContact O-N 3.05Å; R208-R212 PolarHBondContact O-N 3.4Å
209S74.8Confident76Confident47 Ų47123.4 Ų123.433%0.32953%0.532SS..Hα-helixtrans-64.4-46.5172.1-65.30000111.8H205 R206 E207 E211 R212 D213H205-S209 PolarHBondContact O-N 3.12Å; H205-S209 PolarHBondContact O-OG 3.25Å; H205-S209 VanDerWaalsContact O-OG 3.13Å; R206-S209 PolarHBondContact O-N 3.29Å; E207-S209 VanDerWaalsContact C-N 3.33Å; E207-S209 PolarHBondContact O-N 2.95Å; S209-E211 VanDerWaalsContact C-N 3.27Å; S209-E211 PolarHBondContact O-N 3.49Å; S209-R212 PolarHBondContact O-N 3.25Å; S209-D213 VanDerWaalsContact O-CG 3.29Å; S209-D213 PolarHBondContact O-N 3.46Å
210R76Confident75.1Confident141 Ų141125.1 Ų125.153%0.53253%0.533SS..Hα-helixtrans-63.4-34.4177.1-69.8170.2-175.6150.5-1.6112.5R206 E207 R214R206-R210 WeakPolarHBondContact O-CG 3.5Å; R206-R210 PolarHBondContact O-N 3.13Å; E207-R210 PolarHBondContact O-N 2.92Å; R210-R214 WeakPolarHBondContact O-CG 3.35Å; R210-R214 PolarHBondContact O-N 3.41Å
211E71.1Confident74Confident115 Ų115122.4 Ų122.454%0.53753%0.529SS..Hα-helixtrans-66.9-46.1175.6-167.5171.4-146.700111.1E207 S209 D213 R214 D215E207-E211 PolarHBondContact O-N 3.31Å; S209-E211 VanDerWaalsContact C-N 3.27Å; S209-E211 PolarHBondContact O-N 3.49Å; E211-D213 VanDerWaalsContact C-N 3.34Å; E211-D213 PolarHBondContact O-N 3.05Å; E211-R214 PolarHBondContact O-N 3.23Å; E211-D215 PolarHBondContact O-N 2.88Å
212R75.9Confident73Confident170 Ų170124.1 Ų124.164%0.64253%0.53SS*.Hα-helixtrans-59-42.1172.2-77.8-174.2-173.1-172.82113R208 S209 R214 D215 Q216R208-R212 PolarHBondContact O-N 3.4Å; S209-R212 PolarHBondContact O-N 3.25Å; R212-R214 VanDerWaalsContact C-N 3.34Å; R212-R214 PolarHBondContact O-N 2.96Å; R212-D215 PolarHBondContact O-N 3.25Å; R212-Q216 VanDerWaalsContact O-CB 3.31Å; R212-Q216 WeakPolarHBondContact O-CB 3.36Å; R212-Q216 PolarHBondContact O-N 3.16Å
213D70.2Confident71.8Confident91 Ų91121.6 Ų121.649%0.48753%0.527SS..Hα-helixtrans-62.5-43177.9-67.6-25.6000110.8S209 E211 D215 Q216 D217S209-D213 VanDerWaalsContact O-CG 3.29Å; S209-D213 PolarHBondContact O-N 3.46Å; E211-D213 VanDerWaalsContact C-N 3.34Å; E211-D213 PolarHBondContact O-N 3.05Å; D213-D215 PolarHBondContact O-N 3Å; D213-Q216 PolarHBondContact O-N 3.27Å; D213-D217 WeakPolarHBondContact O-CB 3.49Å; D213-D217 PolarHBondContact O-N 3.25Å
214R72.1Confident70.7Confident153 Ų153123.9 Ų123.958%0.57753%0.531SS*.Hα-helixtrans-64.4-39.3175.3-74.4173.9-174.9154.5-0.2112.6R210 E211 R212 D217 R218R210-R214 WeakPolarHBondContact O-CG 3.35Å; R210-R214 PolarHBondContact O-N 3.41Å; E211-R214 PolarHBondContact O-N 3.23Å; R212-R214 VanDerWaalsContact C-N 3.34Å; R212-R214 PolarHBondContact O-N 2.96Å; R214-D217 PolarHBondContact O-N 2.8Å; R214-R218 VanDerWaalsContact O-CG 3.23Å; R214-R218 WeakPolarHBondContact O-CG 3.49Å; R214-R218 PolarHBondContact O-N 3.47Å
215D69.2Low69.4Low67 Ų67121.5 Ų121.536%0.35853%0.532SS..Hα-helixtrans-69.1-39.8177.3-72.1-22.4000111.2E211 R212 D213 D217 R218 E219E211-D215 PolarHBondContact O-N 2.88Å; R212-D215 PolarHBondContact O-N 3.25Å; D213-D215 PolarHBondContact O-N 3Å; D215-D217 VanDerWaalsContact C-N 3.35Å; D215-D217 PolarHBondContact O-N 2.89Å; D215-R218 WeakPolarHBondContact O-CB 3.49Å; D215-R218 PolarHBondContact O-N 3.28Å; D215-R218 IonicContact OD1-CZ 2.98Å; D215-R218 IonicContact OD1-NH1 3.16Å; D215-R218 PolarHBondContact OD1-NH1 3.46Å; D215-E219 WeakPolarHBondContact O-CB 3.32Å; D215-E219 WeakPolarHBondContact O-CG 3.45Å; D215-E219 PolarHBondContact O-N 2.96Å
216Q70.1Confident68.1Low102 Ų102125.4 Ų125.448%0.47754%0.541SS..Hα-helixtrans-66.3-35.4174.4-169.9164.825.800112.4R212 D213 E219 R220R212-Q216 VanDerWaalsContact O-CB 3.31Å; R212-Q216 WeakPolarHBondContact O-CB 3.36Å; R212-Q216 PolarHBondContact O-N 3.16Å; D213-Q216 PolarHBondContact O-N 3.27Å; Q216-E219 PolarHBondContact O-N 3.3Å; Q216-R220 WeakPolarHBondContact O-CB 3.25Å; Q216-R220 WeakPolarHBondContact O-CG 3.43Å; Q216-R220 PolarHBondContact O-N 3.44Å
217D66.5Low66.7Low97 Ų97125.1 Ų125.152%0.51955%0.55SS..Hα-helixtrans-66.1-43.7172-77.4-23.7000111.2D213 R214 D215 E219 R220 D221D213-D217 WeakPolarHBondContact O-CB 3.49Å; D213-D217 PolarHBondContact O-N 3.25Å; R214-D217 PolarHBondContact O-N 2.8Å; D215-D217 VanDerWaalsContact C-N 3.35Å; D215-D217 PolarHBondContact O-N 2.89Å; D217-E219 VanDerWaalsContact C-N 3.34Å; D217-E219 PolarHBondContact O-N 3.39Å; D217-R220 PolarHBondContact O-N 3.4Å; D217-D221 WeakPolarHBondContact O-CB 3.39Å; D217-D221 PolarHBondContact O-N 3.13Å
218R71.2Confident65.4Low133 Ų133122.5 Ų122.550%0.50254%0.542SS..Hα-helixtrans-62.8-38.9174.6-72.6167.1-176152.2-3.2112.5R214 D215 D221 R222R214-R218 VanDerWaalsContact O-CG 3.23Å; R214-R218 WeakPolarHBondContact O-CG 3.49Å; R214-R218 PolarHBondContact O-N 3.47Å; D215-R218 WeakPolarHBondContact O-CB 3.49Å; D215-R218 PolarHBondContact O-N 3.28Å; D215-R218 IonicContact OD1-CZ 2.98Å; D215-R218 IonicContact OD1-NH1 3.16Å; D215-R218 PolarHBondContact OD1-NH1 3.46Å; R218-D221 PolarHBondContact O-N 3.32Å; R218-R222 WeakPolarHBondContact O-CG 3.28Å; R218-R222 PolarHBondContact O-N 3.01Å
219E64.9Low64.2Low113 Ų113119 Ų11953%0.52854%0.541SS..Hα-helixtrans-65.6-46.6174.6-76.7178.8-179.700110.9D215 Q216 D217 D221 R222 D223D215-E219 WeakPolarHBondContact O-CB 3.32Å; D215-E219 WeakPolarHBondContact O-CG 3.45Å; D215-E219 PolarHBondContact O-N 2.96Å; Q216-E219 PolarHBondContact O-N 3.3Å; D217-E219 VanDerWaalsContact C-N 3.34Å; D217-E219 PolarHBondContact O-N 3.39Å; E219-D221 VanDerWaalsContact C-N 3.28Å; E219-D221 PolarHBondContact O-N 2.95Å; E219-R222 PolarHBondContact O-N 3.36Å; E219-R222 VanDerWaalsContact O-N 3.16Å; E219-D223 WeakPolarHBondContact O-CB 3.47Å; E219-D223 PolarHBondContact O-N 3.07Å
220R64.3Low62.9Low148 Ų148124.5 Ų124.556%0.55856%0.559SS**Hα-helixtrans-60.1-36.4174.7-83.4-176.2178.2-152.4-0.1113.4Q216 D217 R224Q216-R220 WeakPolarHBondContact O-CB 3.25Å; Q216-R220 WeakPolarHBondContact O-CG 3.43Å; Q216-R220 PolarHBondContact O-N 3.44Å; D217-R220 PolarHBondContact O-N 3.4Å; R220-R224 WeakPolarHBondContact O-CB 3.47Å; R220-R224 WeakPolarHBondContact O-CG 3.43Å; R220-R224 PolarHBondContact O-N 3.04Å
221D61.2Low61.8Low80 Ų80129.2 Ų129.243%0.42858%0.577SS.*Hα-helixtrans-71.3-39.1176.8-74.5-21.2000111.3D217 R218 E219 R224 D225D217-D221 WeakPolarHBondContact O-CB 3.39Å; D217-D221 PolarHBondContact O-N 3.13Å; R218-D221 PolarHBondContact O-N 3.32Å; E219-D221 VanDerWaalsContact C-N 3.28Å; E219-D221 PolarHBondContact O-N 2.95Å; D221-R224 WeakPolarHBondContact O-CB 3.44Å; D221-R224 PolarHBondContact O-N 2.78Å; D221-R224 IonicContact OD1-CZ 2.94Å; D221-R224 IonicContact OD1-NH1 3.98Å; D221-R224 PolarHBondContact OD1-NH1 3.37Å; D221-D225 PolarHBondContact O-N 3.26Å
222R61.7Low60.7Low171 Ų171133 Ų13365%0.64559%0.586SS**Hα-helixtrans-64.3-40.8171.7-75.4177.9-174.5143.40.2112.7R218 E219 D225 R226R218-R222 WeakPolarHBondContact O-CG 3.28Å; R218-R222 PolarHBondContact O-N 3.01Å; E219-R222 PolarHBondContact O-N 3.36Å; E219-R222 VanDerWaalsContact O-N 3.16Å; R222-D225 PolarHBondContact O-N 2.92Å; R222-R226 WeakPolarHBondContact O-CB 3.17Å; R222-R226 PolarHBondContact O-N 2.85Å
223D58.9Low59.4Low87 Ų87128.3 Ų128.347%0.46558%0.58SS.*Hα-helixtrans-68.4-36.6176.8-69.4-25.3000110.7E219 D225 R226 D227E219-D223 WeakPolarHBondContact O-CB 3.47Å; E219-D223 PolarHBondContact O-N 3.07Å; D223-D225 VanDerWaalsContact C-N 3.34Å; D223-D225 PolarHBondContact O-N 3.41Å; D223-R226 PolarHBondContact O-N 3.29Å; D223-D227 VanDerWaalsContact O-CB 3.26Å; D223-D227 WeakPolarHBondContact O-CB 3.4Å; D223-D227 PolarHBondContact O-N 2.94Å
224R57Low58.6Low154 Ų154128.8 Ų128.858%0.58158%0.582SS**Hα-helixtrans-61.7-39.8169.7-86.7-176.4-164.7133.81.3113.1R220 D221 R226 T228R220-R224 WeakPolarHBondContact O-CB 3.47Å; R220-R224 WeakPolarHBondContact O-CG 3.43Å; R220-R224 PolarHBondContact O-N 3.04Å; D221-R224 WeakPolarHBondContact O-CB 3.44Å; D221-R224 PolarHBondContact O-N 2.78Å; D221-R224 IonicContact OD1-CZ 2.94Å; D221-R224 IonicContact OD1-NH1 3.98Å; D221-R224 PolarHBondContact OD1-NH1 3.37Å; R224-R226 VanDerWaalsContact C-N 3.3Å; R224-T228 WeakPolarHBondContact O-CB 3.37Å; R224-T228 PolarHBondContact O-N 3.24Å; R224-T228 PolarHBondContact O-OG1 3.47Å
225D55.6Low57.6Low129 Ų129124.3 Ų124.369%0.6957%0.574SS**Hα-helixtrans-73.6-25.7177.8-73.1-23.5000111.9D221 R222 D223 T228D221-D225 PolarHBondContact O-N 3.26Å; R222-D225 PolarHBondContact O-N 2.92Å; D223-D225 VanDerWaalsContact C-N 3.34Å; D223-D225 PolarHBondContact O-N 3.41Å; D225-T228 WeakPolarHBondContact CA-OG1 3.2Å; D225-T228 PolarHBondContact O-OG1 2.96Å
226R55.6Low56.6Low212 Ų212129 Ų12980%0.859%0.588SS**Hα-helixtrans-82.7-36.2176.1-161.5168-152.6-173.73.8113R222 D223 R224R222-R226 WeakPolarHBondContact O-CB 3.17Å; R222-R226 PolarHBondContact O-N 2.85Å; D223-R226 PolarHBondContact O-N 3.29Å; R224-R226 VanDerWaalsContact C-N 3.3Å
227D49.4Very low56Low130 Ų130129 Ų12970%0.69560%0.597SS**Hα-helixtrans-96.92.3-179.3-68.6-28.7000113.4D223 P229D223-D227 VanDerWaalsContact O-CB 3.26Å; D223-D227 WeakPolarHBondContact O-CB 3.4Å; D223-D227 PolarHBondContact O-N 2.94Å; D227-P229 WeakPolarHBondContact O-CD 3.48Å
228T50.3Low55.5Low67 Ų67132.7 Ų132.741%0.41161%0.611SS.*  trans-70.2114.5168.7140000108.8R224 D225 F230R224-T228 WeakPolarHBondContact O-CB 3.37Å; R224-T228 PolarHBondContact O-N 3.24Å; R224-T228 PolarHBondContact O-OG1 3.47Å; D225-T228 WeakPolarHBondContact CA-OG1 3.2Å; D225-T228 PolarHBondContact O-OG1 2.96Å; T228-F230 HydrophobicContact CG2-CD2 4.27Å; T228-F230 PolarHBondContact O-N 3.42Å
229P51.9Low54.6Low92 Ų92137.1 Ų137.160%0.59763%0.628SS**G310 helixtrans-71.25-179.130.8-34.2000112.7D227 R231 S233D227-P229 WeakPolarHBondContact O-CD 3.48Å; P229-R231 VanDerWaalsContact C-N 3.31Å; P229-R231 PolarHBondContact O-N 2.92Å; P229-S233 PolarHBondContact O-OG 3.04Å
230F48.6Very low54.2Low163 Ų163135.8 Ų135.872%0.71562%0.618SS**G310 helixtrans-80.7-1.3-170.7-78.3-79.6000115.1T228T228-F230 HydrophobicContact CG2-CD2 4.27Å; T228-F230 PolarHBondContact O-N 3.42Å
231R51.9Low53.8Low240 Ų240131.8 Ų131.891%0.90662%0.623SS**G310 helixtrans-1059.1176.1-99.8-94.8-178.6173.2-0115.5P229P229-R231 VanDerWaalsContact C-N 3.31Å; P229-R231 PolarHBondContact O-N 2.92Å
232R49.3Very low54Low193 Ų193134 Ų13473%0.72864%0.639SS**  trans-165.740.5169.8-115.2171.1-157.6-121.35.7115.2D234 S235R232-D234 PolarHBondContact O-N 3.33Å; R232-S235 PolarHBondContact O-N 3.4Å; R232-S235 PolarHBondContact O-OG 2.95Å; R232-S235 VanDerWaalsContact O-OG 3.05Å
233S48.5Very low54.5Low72 Ų72130.4 Ų130.450%0.50363%0.625SS.*THydrogen-bonded Turntrans-61-3.7167.9-54.60000114P229 R240P229-S233 PolarHBondContact O-OG 3.04Å; S233-R240 VanDerWaalsContact O-CZ 3.31Å; S233-R240 PolarHBondContact O-NE 3.34Å; S233-R240 PolarHBondContact O-NH2 3.24Å
234D52.1Low55.5Low101 Ų101133.5 Ų133.554%0.5464%0.635SS.*THydrogen-bonded Turntrans-87.9-6.6170.6-94.9-20.5000114R232 R240 R315R232-D234 PolarHBondContact O-N 3.33Å; D234-R240 IonicContact OD1-CZ 2.83Å; D234-R240 IonicContact OD1-NH1 3.18Å; D234-R240 PolarHBondContact OD1-NH1 2.74Å; D234-R240 IonicContact OD1-NH2 3.57Å; D234-R240 PolarHBondContact OD1-NH2 3.42Å; D234-R315 IonicContact OD2-NH1 3.07Å
235S52.3Low56.9Low59 Ų59126.7 Ų126.741%0.41361%0.612SS.*SBendtrans-94.7-0.2-174.468.10000116.1R232R232-S235 PolarHBondContact O-N 3.4Å; R232-S235 PolarHBondContact O-OG 2.95Å; R232-S235 VanDerWaalsContact O-OG 3.05Å
236Y47.8Very low58.6Low167 Ų167121.8 Ų121.866%0.65559%0.586SS**  trans-130.695.3172.3-94.3-90.4000110.2E238Y236-E238 PolarHBondContact O-N 3.47Å
237P57.6Low60.2Low100 Ų100111.9 Ų111.965%0.64955%0.549SS*.G310 helixtrans-57.2-35.7172-21.932.5000112.3R239 R240P237-R239 VanDerWaalsContact C-N 3.32Å; P237-R239 PolarHBondContact O-N 3.03Å; P237-R240 PolarHBondContact O-N 2.96Å
238E54.9Low62.3Low176 Ų176105.7 Ų105.782%0.82252%0.516SS*.G310 helixtrans-67.4-20.5-171.7-137.764.6-152.800115.8Y236Y236-E238 PolarHBondContact O-N 3.47Å
239R52.4Low64.3Low226 Ų226105.6 Ų105.685%0.85351%0.508SS*.G310 helixtrans-101.44178-77.3-150-155.8-78.12.5113.7P237 G241P237-R239 VanDerWaalsContact C-N 3.32Å; P237-R239 PolarHBondContact O-N 3.03Å; R239-G241 PolarHBondContact O-N 2.8Å
240R56.7Low66.1Low84 Ų84101.2 Ų101.232%0.31748%0.48SS..SBendtrans-89.5103.9167.5-77.1172179.5-167.84.5106.3S233 D234 P237 V242 R243S233-R240 VanDerWaalsContact O-CZ 3.31Å; S233-R240 PolarHBondContact O-NE 3.34Å; S233-R240 PolarHBondContact O-NH2 3.24Å; D234-R240 IonicContact OD1-CZ 2.83Å; D234-R240 IonicContact OD1-NH1 3.18Å; D234-R240 PolarHBondContact OD1-NH1 2.74Å; D234-R240 IonicContact OD1-NH2 3.57Å; D234-R240 PolarHBondContact OD1-NH2 3.42Å; P237-R240 PolarHBondContact O-N 2.96Å; R240-V242 PolarHBondContact O-N 3.17Å; R240-R243 VanDerWaalsContact NH1-NH2 3.17Å
241G56.5Low68.2Low64 Ų6499 Ų9966%0.6647%0.468SS*.  trans-47.5145.516100000109.2R239 R243R239-G241 PolarHBondContact O-N 2.8Å; G241-R243 PolarHBondContact O-N 2.7Å
242V65.7Low69.8Low126 Ų12687.8 Ų87.876%0.76443%0.426SS*.  trans-44.9112.6-178-1780000108.2R240 K244R240-V242 PolarHBondContact O-N 3.17Å; V242-K244 PolarHBondContact O-N 3.21Å
243R71.1Confident71.5Confident96 Ų9682.8 Ų82.836%0.36242%0.421SS..  trans-64.4127.9-178.2-70177.2170.1-111.9-6.9106.5R240 G241 I313R240-R243 VanDerWaalsContact NH1-NH2 3.17Å; G241-R243 PolarHBondContact O-N 2.7Å; R243-I313 HydrophobicContact CB-CB 4.04Å; R243-I313 HydrophobicContact CB-CG2 3.76Å; R243-I313 WeakPolarHBondContact O-CD1 3.46Å; R243-I313 WeakPolarHBondContact O-CG1 3.5Å
244K80.7Confident73.1Confident153 Ų15381.7 Ų81.767%0.66542%0.421SS*.  trans-117.6143.8176.4-62.9-169.7178.1-165.80109.3V242V242-K244 PolarHBondContact O-N 3.21Å
245G86.8Confident74.6Confident10 Ų1078 Ų7810%0.10340%0.401CS..  trans173169.1179.400000111.7A292 Q317G245-A292 WeakPolarHBondContact O-CB 3.48Å; G245-Q317 VanDerWaalsContact C-OE1 3.31Å; G245-Q317 VanDerWaalsContact CA-OE1 3.31Å
246N90.4Very high76.3Confident27 Ų2778.9 Ų78.914%0.14440%0.404CS..SBendtrans-82.4-19.4-174.3-64.937.6000112.5F286 E287 M289 L320N246-F286 WeakPolarHBondContact CB-O 3.3Å; N246-F286 PolarHBondContact O-N 2.84Å; N246-E287 PolarHBondContact ND2-O 2.99Å; N246-M289 WeakPolarHBondContact OD1-CB 3.38Å; N246-L320 HydrophobicContact CB-CD1 3.76Å
247T90.3Very high78.2Confident3 Ų375.6 Ų75.62%0.01839%0.394CS..EExtended strand (participates in β ladder)trans-103.7130.9-177.3-55.10000111.6F283 I284 T285 A314 Q317 P318T247-F283 HydrophobicContact CG2-CB 4.32Å; T247-I284 CarbonylContact C-O 3.44Å; T247-I284 VanDerWaalsContact CA-O 3.29Å; T247-I284 WeakPolarHBondContact CA-O 3.34Å; T247-T285 WeakPolarHBondContact CG2-OG1 3.33Å; T247-T285 WeakPolarHBondContact OG1-CB 3.23Å; T247-T285 WeakPolarHBondContact OG1-CG2 3.46Å; T247-T285 PolarHBondContact OG1-OG1 2.99Å; T247-A314 HydrophobicContact CG2-CB 3.81Å; T247-A314 VanDerWaalsContact O-CB 3.27Å; T247-A314 WeakPolarHBondContact O-CB 3.41Å; T247-A314 PolarHBondContact O-N 3.24Å; T247-Q317 PolarHBondContact O-NE2 3.38Å; T247-P318 WeakPolarHBondContact OG1-CD 3.3Å; T247-P318 WeakPolarHBondContact OG1-CG 3.32Å
248V92.3Very high79.7Confident0 Ų076.6 Ų76.60%039%0.394CS..EExtended strand (participates in β ladder)trans-108.2137.9-179.3-178.60000109.2V250 F264 F283 I284 F286 A292 V296 V311V248-V250 HydrophobicContact CG1-CG2 4.33Å; V248-F264 HydrophobicContact CG1-CE1 4.4Å; V248-F283 WeakPolarHBondContact O-CA 3.37Å; V248-I284 PolarHBondContact N-O 3.03Å; V248-I284 PolarHBondContact O-N 3.37Å; V248-F286 HydrophobicContact CG2-CD2 4.06Å; V248-F286 HydrophobicContact CG2-CE2 3.96Å; V248-A292 HydrophobicContact CG2-CB 3.69Å; V248-V296 HydrophobicContact CG1-CG2 3.88Å; V248-V296 HydrophobicContact CG2-CG2 4Å; V248-V311 HydrophobicContact CG1-CG1 3.12Å
249Y91.9Very high81.3Confident66 Ų6670.5 Ų70.526%0.25937%0.371SS..EExtended strand (participates in β ladder)trans-100.1121.6171.5173.5-98.1000109.4C281 F283 V311 S312Y249-C281 HydrophobicContact CD2-CB 4.26Å; Y249-C281 HydrophobicContact CE2-CB 3.32Å; Y249-C281 WeakPolarHBondContact OH-CB 3.33Å; Y249-F283 HydrophobicContact CD2-CD1 4.1Å; Y249-F283 AromaticContact CD2-CE1 3.5Å; Y249-F283 HydrophobicContact CD2-CE1 3.5Å; Y249-F283 VanDerWaalsContact CD2-CE1 3.5Å; Y249-F283 HydrophobicContact CD2-CE2 4.46Å; Y249-F283 AromaticContact CD2-CZ 3.7Å; Y249-F283 HydrophobicContact CD2-CZ 3.7Å; Y249-F283 HydrophobicContact CE2-CE1 4.27Å; Y249-F283 HydrophobicContact CE2-CZ 4.01Å; Y249-F283 HydrophobicContact CG-CE1 4.4Å; Y249-V311 CarbonylContact O-C 3.53Å; Y249-V311 WeakPolarHBondContact O-CA 3.45Å; Y249-S312 WeakPolarHBondContact CA-O 3.36Å; Y249-S312 WeakPolarHBondContact CD1-OG 3.49Å; Y249-S312 PolarHBondContact N-O 3.16Å; Y249-S312 PolarHBondContact O-N 3.29Å
250V91.4Very high83.1Confident0 Ų059.8 Ų59.80%033%0.331CS..EExtended strand (participates in β ladder)trans-110.2133.7177.1-174.40000108.5V248 L255 L260 F264 C281 A282 I284 I309 K310 V311V248-V250 HydrophobicContact CG1-CG2 4.33Å; V250-L255 HydrophobicContact CG1-CD1 4.42Å; V250-L255 HydrophobicContact CG1-CD2 4.36Å; V250-L260 HydrophobicContact CG1-CD2 4.05Å; V250-F264 HydrophobicContact CG1-CZ 4.45Å; V250-F264 HydrophobicContact CG2-CE1 3.94Å; V250-F264 HydrophobicContact CG2-CE2 4.13Å; V250-F264 HydrophobicContact CG2-CZ 3.46Å; V250-F264 VanDerWaalsContact CG2-CZ 3.46Å; V250-C281 CarbonylContact O-C 3.6Å; V250-C281 WeakPolarHBondContact O-CA 3.49Å; V250-C281 WeakPolarHBondContact O-CB 3.31Å; V250-A282 HydrophobicContact CB-CB 4.34Å; V250-A282 PolarHBondContact N-O 3.4Å; V250-A282 PolarHBondContact O-N 2.93Å; V250-I284 HydrophobicContact CG2-CD1 3.85Å; V250-I284 HydrophobicContact CG2-CG1 4.35Å; V250-I309 HydrophobicContact CG1-CB 3.97Å; V250-I309 HydrophobicContact CG1-CD1 4.37Å; V250-I309 HydrophobicContact CG1-CG2 4.26Å; V250-K310 CarbonylContact C-O 3.49Å; V250-K310 WeakPolarHBondContact CA-O 3.47Å; V250-V311 HydrophobicContact CG1-CG2 4.39Å; V250-V311 HydrophobicContact CG2-CG1 4.44Å; V250-V311 HydrophobicContact CG2-CG2 4.36Å
251Y90.9Very high84.7Confident117 Ų11762.7 Ų62.746%0.45934%0.341SS..EExtended strand (participates in β ladder)trans-126.8131.2175.4175.6-96.9000110N280 C281 I309 K310Y251-N280 WeakPolarHBondContact CD2-O 3.26Å; Y251-N280 HydrophobicContact CE2-CB 4.38Å; Y251-C281 HydrophobicContact CD2-CB 4.41Å; Y251-I309 WeakPolarHBondContact O-CA 3.4Å; Y251-K310 PolarHBondContact N-O 3.47Å; Y251-K310 PolarHBondContact O-N 3.07Å
252G87.1Confident86.4Confident3 Ų364 Ų643%0.03134%0.34CS..  trans-173149.2179.600000112.2L255 N280G252-L255 WeakPolarHBondContact O-CG 3.23Å; G252-N280 PolarHBondContact N-O 2.94Å; G252-N280 WeakPolarHBondContact O-CB 3.48Å
253S84.5Confident87.5Confident89 Ų8958.9 Ų58.962%0.62231%0.312SS*.THydrogen-bonded Turntrans-86112.6178.459.40000110.6V307S253-V307 WeakPolarHBondContact O-CG1 3.47Å; S253-V307 VanDerWaalsContact O-CG2 3.25Å; S253-V307 WeakPolarHBondContact O-CG2 3.35Å
254G82.3Confident88.4Confident48 Ų4854.3 Ų54.350%0.49530%0.295SS..THydrogen-bonded Turntrans93.629.4-179.900000114.5V256 V307G254-V256 PolarHBondContact O-N 3.25Å; G254-V307 WeakPolarHBondContact O-CG2 3.4Å
255L82.4Confident89Confident25 Ų2550.1 Ų50.113%0.13129%0.285CS..  trans-58.9133.2176.5-63.4175000111.3V250 G252 L260 M275 A282 V307 I309V250-L255 HydrophobicContact CG1-CD1 4.42Å; V250-L255 HydrophobicContact CG1-CD2 4.36Å; G252-L255 WeakPolarHBondContact O-CG 3.23Å; L255-L260 HydrophobicContact CB-CD1 4.07Å; L255-L260 HydrophobicContact CD1-CD1 4.34Å; L255-L260 HydrophobicContact CD2-CD1 4.24Å; L255-L260 HydrophobicContact CD2-CD2 4.23Å; L255-L260 HydrophobicContact CG-CD1 4.43Å; L255-M275 HydrophobicContact CB-CE 4.14Å; L255-M275 VanDerWaalsContact O-CE 3.3Å; L255-M275 WeakPolarHBondContact O-CE 3.42Å; L255-A282 HydrophobicContact CD1-CB 4.39Å; L255-V307 HydrophobicContact CD2-CG1 4.2Å; L255-I309 HydrophobicContact CD2-CG2 3.45Å; L255-I309 VanDerWaalsContact CD2-CG2 3.45Å
256V87.9Confident89.1Confident77 Ų7757.5 Ų57.547%0.46732%0.316SS..  trans-112.2133.6172.3-179.60000108.7G254 D258 S259 L260G254-V256 PolarHBondContact O-N 3.25Å; V256-D258 HydrophobicContact CG1-CB 4.42Å; V256-D258 PolarHBondContact O-N 3.39Å; V256-S259 PolarHBondContact O-N 3.07Å; V256-L260 WeakPolarHBondContact O-CG 3.48Å; V256-L260 PolarHBondContact O-N 3.44Å; V256-L260 VanDerWaalsContact O-N 3.12Å
257E88Confident89.1Confident98 Ų9857.5 Ų57.546%0.45832%0.315SS..Hα-helixtrans-56.7-48.3-177.9-167.5171.7164.700111.9S259 L260 R261 L273 M275E257-S259 PolarHBondContact O-N 3.31Å; E257-L260 PolarHBondContact O-N 2.79Å; E257-R261 VanDerWaalsContact O-CB 3.31Å; E257-R261 WeakPolarHBondContact O-CB 3.49Å; E257-R261 PolarHBondContact O-N 3.48Å; E257-L273 HydrophobicContact CG-CD1 4.29Å; E257-L273 HydrophobicContact CG-CD2 3.71Å; E257-M275 WeakPolarHBondContact CA-SD 3.22Å; E257-M275 HydrophobicContact CB-SD 3.41Å; E257-M275 WeakPolarHBondContact CB-SD 3.35Å; E257-M275 HydrophobicContact CG-SD 3.91Å; E257-M275 PolarHBondContact N-SD 3.31Å
258D88.8Confident89Confident120 Ų12058.1 Ų58.164%0.64232%0.322SS*.Hα-helixtrans-64.2-40.5-176.2-64.5-39.8000112.6V256 R261 S262V256-D258 HydrophobicContact CG1-CB 4.42Å; V256-D258 PolarHBondContact O-N 3.39Å; D258-R261 PolarHBondContact O-N 2.96Å; D258-S262 WeakPolarHBondContact O-CB 3.42Å; D258-S262 PolarHBondContact O-N 2.99Å
259S89.4Confident89Confident48 Ų4862.8 Ų62.834%0.33635%0.347SS..Hα-helixtrans-67.1-41177.9-530000111.4V256 E257 A263V256-S259 PolarHBondContact O-N 3.07Å; E257-S259 PolarHBondContact O-N 3.31Å; S259-A263 WeakPolarHBondContact O-CB 3.38Å; S259-A263 PolarHBondContact O-N 3.25Å
260L89.3Confident88.9Confident2 Ų261 Ų611%0.0134%0.342CS..Hα-helixtrans-65.3-44.1173.2-71.1176.2000111.2V250 L255 V256 E257 S262 A263 F264 A282 I284 I309V250-L260 HydrophobicContact CG1-CD2 4.05Å; L255-L260 HydrophobicContact CB-CD1 4.07Å; L255-L260 HydrophobicContact CD1-CD1 4.34Å; L255-L260 HydrophobicContact CD2-CD1 4.24Å; L255-L260 HydrophobicContact CD2-CD2 4.23Å; L255-L260 HydrophobicContact CG-CD1 4.43Å; V256-L260 WeakPolarHBondContact O-CG 3.48Å; V256-L260 PolarHBondContact O-N 3.44Å; V256-L260 VanDerWaalsContact O-N 3.12Å; E257-L260 PolarHBondContact O-N 2.79Å; L260-S262 VanDerWaalsContact C-N 3.34Å; L260-S262 PolarHBondContact O-N 3.32Å; L260-A263 PolarHBondContact O-N 3.25Å; L260-F264 HydrophobicContact CB-CD2 4.39Å; L260-F264 HydrophobicContact CD2-CD2 4.07Å; L260-F264 HydrophobicContact CD2-CE2 3.58Å; L260-F264 VanDerWaalsContact O-CB 3.29Å; L260-F264 WeakPolarHBondContact O-CB 3.47Å; L260-F264 WeakPolarHBondContact O-CD2 3.44Å; L260-F264 PolarHBondContact O-N 2.97Å; L260-A282 HydrophobicContact CD1-CB 3.92Å; L260-I284 HydrophobicContact CB-CD1 4.46Å; L260-I309 HydrophobicContact CD2-CD1 4.49Å
261R90.6Very high88.8Confident144 Ų14465 Ų6554%0.54336%0.363SS..Hα-helixtrans-60.9-44.8179.1-167172.8-166-85.1-4.4111.2E257 D258 S265 L270 L273E257-R261 VanDerWaalsContact O-CB 3.31Å; E257-R261 WeakPolarHBondContact O-CB 3.49Å; E257-R261 PolarHBondContact O-N 3.48Å; D258-R261 PolarHBondContact O-N 2.96Å; R261-S265 WeakPolarHBondContact O-CB 3.32Å; R261-S265 PolarHBondContact O-N 2.76Å; R261-L270 HydrophobicContact CG-CD1 3.94Å; R261-L273 HydrophobicContact CB-CD1 4.05Å; R261-L273 HydrophobicContact CG-CD1 4.46Å
262S91.5Very high88.6Confident91 Ų9163.6 Ų63.664%0.63636%0.363SS*.Hα-helixtrans-65.5-46.4177.9-169.60000112.3D258 L260D258-S262 WeakPolarHBondContact O-CB 3.42Å; D258-S262 PolarHBondContact O-N 2.99Å; L260-S262 VanDerWaalsContact C-N 3.34Å; L260-S262 PolarHBondContact O-N 3.32Å
263A89.8Confident88.7Confident20 Ų2064.8 Ų64.817%0.16537%0.368CS..Hα-helixtrans-67.7-46.4-178.800000112S259 L260 Q266 H267 V304S259-A263 WeakPolarHBondContact O-CB 3.38Å; S259-A263 PolarHBondContact O-N 3.25Å; L260-A263 PolarHBondContact O-N 3.25Å; A263-Q266 WeakPolarHBondContact O-CB 3.44Å; A263-Q266 PolarHBondContact O-N 3.4Å; A263-H267 PolarHBondContact O-CD2 3.14Å; A263-V304 HydrophobicContact CB-CG1 3.98Å; A263-V304 HydrophobicContact CB-CG2 4.12Å
264F90.7Very high88.8Confident0 Ų062.9 Ų62.90%036%0.355CS..Hα-helixtrans-77.1-25.1-177.1-75.4-100.8000112.8V248 V250 L260 Q266 H267 L270 I284 F286 A295 L299 I309 V311V248-F264 HydrophobicContact CG1-CE1 4.4Å; V250-F264 HydrophobicContact CG1-CZ 4.45Å; V250-F264 HydrophobicContact CG2-CE1 3.94Å; V250-F264 HydrophobicContact CG2-CE2 4.13Å; V250-F264 HydrophobicContact CG2-CZ 3.46Å; V250-F264 VanDerWaalsContact CG2-CZ 3.46Å; L260-F264 HydrophobicContact CB-CD2 4.39Å; L260-F264 HydrophobicContact CD2-CD2 4.07Å; L260-F264 HydrophobicContact CD2-CE2 3.58Å; L260-F264 VanDerWaalsContact O-CB 3.29Å; L260-F264 WeakPolarHBondContact O-CB 3.47Å; L260-F264 WeakPolarHBondContact O-CD2 3.44Å; L260-F264 PolarHBondContact O-N 2.97Å; F264-Q266 PolarHBondContact O-N 3.36Å; F264-H267 PolarHBondContact O-N 2.95Å; F264-L270 HydrophobicContact CB-CD2 4.01Å; F264-I284 HydrophobicContact CB-CD1 4.1Å; F264-I284 HydrophobicContact CB-CG2 4.49Å; F264-I284 HydrophobicContact CD1-CD1 3.66Å; F264-I284 HydrophobicContact CD1-CG2 4.44Å; F264-I284 HydrophobicContact CD2-CD1 3.6Å; F264-I284 HydrophobicContact CE1-CD1 3.93Å; F264-I284 HydrophobicContact CE2-CD1 3.87Å; F264-I284 HydrophobicContact CG-CD1 3.49Å; F264-I284 VanDerWaalsContact CG-CD1 3.49Å; F264-I284 HydrophobicContact CZ-CD1 4.03Å; F264-F286 HydrophobicContact CB-CZ 4Å; F264-F286 HydrophobicContact CD1-CE2 4.09Å; F264-F286 AromaticContact CD1-CZ 3.83Å; F264-F286 HydrophobicContact CD1-CZ 3.83Å; F264-F286 HydrophobicContact CG-CZ 4.43Å; F264-F286 WeakPolarHBondContact O-CE1 3.43Å; F264-A295 HydrophobicContact CD1-CB 4.03Å; F264-A295 HydrophobicContact CE1-CB 4.14Å; F264-L299 HydrophobicContact CD1-CD1 3.7Å; F264-L299 HydrophobicContact CD2-CD1 3.81Å; F264-L299 HydrophobicContact CE1-CD1 3.59Å; F264-L299 HydrophobicContact CE2-CD1 3.71Å; F264-L299 HydrophobicContact CG-CD1 3.82Å; F264-L299 HydrophobicContact CZ-CB 4.23Å; F264-L299 HydrophobicContact CZ-CD1 3.6Å; F264-I309 HydrophobicContact CE2-CD1 3.86Å; F264-I309 HydrophobicContact CZ-CD1 4.04Å; F264-V311 HydrophobicContact CE1-CG1 4.12Å; F264-V311 HydrophobicContact CZ-CG1 4.28Å; F264-V311 HydrophobicContact CZ-CG2 3.9Å
265S91.9Very high89Confident65 Ų6562.8 Ų62.846%0.45534%0.342SS..THydrogen-bonded Turntrans-66.1-18.1173.6-175.10000113.1R261 H267R261-S265 WeakPolarHBondContact O-CB 3.32Å; R261-S265 PolarHBondContact O-N 2.76Å; S265-H267 VanDerWaalsContact C-N 3.33Å
266Q90.5Very high89.2Confident165 Ų16563.4 Ų63.477%0.77135%0.346SS*.THydrogen-bonded Turntrans-70.2-30.3176.7-172.3172.9-5.900112.4A263 F264A263-Q266 WeakPolarHBondContact O-CB 3.44Å; A263-Q266 PolarHBondContact O-N 3.4Å; F264-Q266 PolarHBondContact O-N 3.36Å
267H89.1Confident88.6Confident26 Ų2665 Ų6512%0.1235%0.352CS..THydrogen-bonded Turntrans-94.9-13.6-177.1-50.9-75.5000113A263 F264 S265 S291 A295 E298A263-H267 PolarHBondContact O-CD2 3.14Å; F264-H267 PolarHBondContact O-N 2.95Å; S265-H267 VanDerWaalsContact C-N 3.33Å; H267-S291 WeakPolarHBondContact O-CB 3.39Å; H267-S291 PolarHBondContact O-OG 3.05Å; H267-A295 HydrophobicContact CB-CB 4.24Å; H267-E298 IonicContact CE1-OE2 3.27Å; H267-E298 PolarHBondContact CE1-OE2 3.46Å; H267-E298 IonicContact ND1-OE2 2.76Å; H267-E298 PolarHBondContact ND1-OE2 3.45Å; H267-E298 VanDerWaalsContact ND1-OE2 3.07Å
268G89.6Confident88.1Confident16 Ų1666.1 Ų66.117%0.16537%0.367CS..SBendtrans173.5174.7175.100000115.6S291G268-S291 WeakPolarHBondContact CA-OG 3.16Å
269N90.8Very high87.4Confident99 Ų9967.9 Ų67.953%0.52937%0.365SS..  trans-75.1128.2176-169.522.6000111.1F286 E287N269-F286 WeakPolarHBondContact O-CA 3.27Å; N269-E287 HydrophobicContact CB-CB 4.28Å; N269-E287 PolarHBondContact ND2-OE2 3.4Å; N269-E287 PolarHBondContact O-N 3.48Å
270L91Very high87.2Confident27 Ų2769 Ų6914%0.14137%0.368CS..EExtended strand (participates in β ladder)trans-92.7121.7-176.9-60159.5000109R261 F264 I284 F286R261-L270 HydrophobicContact CG-CD1 3.94Å; F264-L270 HydrophobicContact CB-CD2 4.01Å; L270-I284 HydrophobicContact CD2-CG2 3.23Å; L270-F286 HydrophobicContact CD2-CD1 4.12Å; L270-F286 HydrophobicContact CD2-CE1 3.66Å; L270-F286 HydrophobicContact CD2-CZ 4Å; L270-F286 HydrophobicContact CG-CE1 4.41Å
271I89.4Confident87.3Confident85 Ų8569.1 Ų69.144%0.43637%0.368SS..EExtended strand (participates in β ladder)trans-84.6-48173.8-68.8177.3000110.4T285 E287 L320I271-T285 PolarHBondContact N-O 3.39Å; I271-E287 VanDerWaalsContact CD1-CA 3.46Å; I271-E287 HydrophobicContact CD1-CB 3.97Å; I271-E287 HydrophobicContact CD1-CG 4.29Å; I271-E287 HydrophobicContact CG1-CB 4.05Å; I271-L320 HydrophobicContact CD1-CD1 3.92Å; I271-L320 HydrophobicContact CD1-CD2 4.23Å; I271-L320 HydrophobicContact CG2-CD2 4.21Å
272D85.7Confident87.3Confident87 Ų8762.2 Ų62.247%0.46534%0.342SS..EExtended strand (participates in β ladder)trans-145137.8-173.5-175.131.8000110T285D272-T285 PolarHBondContact N-O 2.97Å; D272-T285 PolarHBondContact O-N 3.26Å
273L89.4Confident87.3Confident28 Ų2860.7 Ų60.715%0.14732%0.324CS..EExtended strand (participates in β ladder)trans-131111.6176.5-169.7164.7000106.7E257 R261 M275 I284E257-L273 HydrophobicContact CG-CD1 4.29Å; E257-L273 HydrophobicContact CG-CD2 3.71Å; R261-L273 HydrophobicContact CB-CD1 4.05Å; R261-L273 HydrophobicContact CG-CD1 4.46Å; L273-M275 HydrophobicContact CD2-CG 3.77Å; L273-M275 HydrophobicContact CD2-SD 4.43Å; L273-I284 HydrophobicContact CG-CG1 4.26Å
274S87.4Confident87.4Confident50 Ų5059.7 Ų59.735%0.3532%0.316SS..EExtended strand (participates in β ladder)trans-118.4117-179.6-179.50000109.8A282 F283S274-A282 CarbonylContact O-C 3.53Å; S274-A282 WeakPolarHBondContact O-CA 3.34Å; S274-F283 PolarHBondContact N-O 3.22Å; S274-F283 PolarHBondContact O-N 3.3Å
275M86.8Confident87.4Confident45 Ų4559.9 Ų59.922%0.22232%0.317CS..EExtended strand (participates in β ladder)trans-96.6128.6175.4-72.4-174.655.100111.7L255 E257 L273 A282L255-M275 HydrophobicContact CB-CE 4.14Å; L255-M275 VanDerWaalsContact O-CE 3.3Å; L255-M275 WeakPolarHBondContact O-CE 3.42Å; E257-M275 WeakPolarHBondContact CA-SD 3.22Å; E257-M275 HydrophobicContact CB-SD 3.41Å; E257-M275 WeakPolarHBondContact CB-SD 3.35Å; E257-M275 HydrophobicContact CG-SD 3.91Å; E257-M275 PolarHBondContact N-SD 3.31Å; L273-M275 HydrophobicContact CD2-CG 3.77Å; L273-M275 HydrophobicContact CD2-SD 4.43Å; M275-A282 HydrophobicContact CG-CB 4.05Å
276D85.6Confident87.4Confident38 Ų3856.8 Ų56.820%0.20330%0.296CS..EExtended strand (participates in β ladder)trans-106.282.1170.6-85.8-22.4000109.2R279 N280 C281D276-R279 HydrophobicContact CB-CB 4.39Å; D276-R279 PolarHBondContact O-N 2.97Å; D276-R279 IonicContact OD2-CZ 3.46Å; D276-R279 IonicContact OD2-NE 3.41Å; D276-R279 PolarHBondContact OD2-NE 2.94Å; D276-R279 IonicContact OD2-NH2 2.69Å; D276-R279 PolarHBondContact OD2-NH2 3.31Å; D276-N280 PolarHBondContact O-N 3.3Å; D276-N280 VanDerWaalsContact O-N 3.13Å; D276-C281 CarbonylContact C-O 3.54Å; D276-C281 WeakPolarHBondContact CA-O 3.47Å; D276-C281 WeakPolarHBondContact CB-O 3.36Å; D276-C281 PolarHBondContact N-O 3.3Å; D276-C281 PolarHBondContact O-N 3.27Å
277N75.4Confident87.3Confident110 Ų11053.2 Ų53.259%0.58828%0.279SS*.G310 helixtrans-51.2-41.4176.4-68.728.2000115R279 N280N277-R279 PolarHBondContact O-N 3.39Å; N277-R279 VanDerWaalsContact O-N 3.17Å; N277-N280 PolarHBondContact O-N 3.43Å; N277-N280 PolarHBondContact O-OD1 2.99Å
278P76.5Confident87.4Confident122 Ų12258 Ų5879%0.79230%0.299SS*.G310 helixtrans-67.5-18.4-179.627-36000113.4
279R76.1Confident87.4Confident157 Ų15762.1 Ų62.159%0.59232%0.316SS*.G310 helixtrans-107.91.7-179.7-70.7-168.1-77.2-132.6-0.6112.9D276 N277 C281D276-R279 HydrophobicContact CB-CB 4.39Å; D276-R279 PolarHBondContact O-N 2.97Å; D276-R279 IonicContact OD2-CZ 3.46Å; D276-R279 IonicContact OD2-NE 3.41Å; D276-R279 PolarHBondContact OD2-NE 2.94Å; D276-R279 IonicContact OD2-NH2 2.69Å; D276-R279 PolarHBondContact OD2-NH2 3.31Å; N277-R279 PolarHBondContact O-N 3.39Å; N277-R279 VanDerWaalsContact O-N 3.17Å; R279-C281 HydrophobicContact CB-CB 4.47Å; R279-C281 WeakPolarHBondContact CB-SG 3.33Å; R279-C281 PolarHBondContact O-N 3.32Å
280N85.1Confident87.4Confident73 Ų7363.3 Ų63.339%0.3932%0.318SS..THydrogen-bonded Turntrans50.239.1-175.4-72.7-24.5000111.4Y251 G252 D276 N277Y251-N280 WeakPolarHBondContact CD2-O 3.26Å; Y251-N280 HydrophobicContact CE2-CB 4.38Å; G252-N280 PolarHBondContact N-O 2.94Å; G252-N280 WeakPolarHBondContact O-CB 3.48Å; D276-N280 PolarHBondContact O-N 3.3Å; D276-N280 VanDerWaalsContact O-N 3.13Å; N277-N280 PolarHBondContact O-N 3.43Å; N277-N280 PolarHBondContact O-OD1 2.99Å
281C89.8Confident87.5Confident3 Ų362.7 Ų62.72%0.0232%0.316CS..EExtended strand (participates in β ladder)trans-134.7151.3-17865.70000112.1Y249 V250 Y251 D276 R279Y249-C281 HydrophobicContact CD2-CB 4.26Å; Y249-C281 HydrophobicContact CE2-CB 3.32Å; Y249-C281 WeakPolarHBondContact OH-CB 3.33Å; V250-C281 CarbonylContact O-C 3.6Å; V250-C281 WeakPolarHBondContact O-CA 3.49Å; V250-C281 WeakPolarHBondContact O-CB 3.31Å; Y251-C281 HydrophobicContact CD2-CB 4.41Å; D276-C281 CarbonylContact C-O 3.54Å; D276-C281 WeakPolarHBondContact CA-O 3.47Å; D276-C281 WeakPolarHBondContact CB-O 3.36Å; D276-C281 PolarHBondContact N-O 3.3Å; D276-C281 PolarHBondContact O-N 3.27Å; R279-C281 HydrophobicContact CB-CB 4.47Å; R279-C281 WeakPolarHBondContact CB-SG 3.33Å; R279-C281 PolarHBondContact O-N 3.32Å
282A90.3Very high87.6Confident0 Ų058.7 Ų58.70%030%0.295CS..EExtended strand (participates in β ladder)trans-129.4147.5176.400000110.3V250 L255 L260 S274 M275V250-A282 HydrophobicContact CB-CB 4.34Å; V250-A282 PolarHBondContact N-O 3.4Å; V250-A282 PolarHBondContact O-N 2.93Å; L255-A282 HydrophobicContact CD1-CB 4.39Å; L260-A282 HydrophobicContact CD1-CB 3.92Å; S274-A282 CarbonylContact O-C 3.53Å; S274-A282 WeakPolarHBondContact O-CA 3.34Å; M275-A282 HydrophobicContact CG-CB 4.05Å
283F91.7Very high87.8Confident58 Ų5857.2 Ų57.225%0.25429%0.287SS..EExtended strand (participates in β ladder)trans-110.9120.3171.7-64.4-83000108.3T247 V248 Y249 S274 A314T247-F283 HydrophobicContact CG2-CB 4.32Å; V248-F283 WeakPolarHBondContact O-CA 3.37Å; Y249-F283 HydrophobicContact CD2-CD1 4.1Å; Y249-F283 AromaticContact CD2-CE1 3.5Å; Y249-F283 HydrophobicContact CD2-CE1 3.5Å; Y249-F283 VanDerWaalsContact CD2-CE1 3.5Å; Y249-F283 HydrophobicContact CD2-CE2 4.46Å; Y249-F283 AromaticContact CD2-CZ 3.7Å; Y249-F283 HydrophobicContact CD2-CZ 3.7Å; Y249-F283 HydrophobicContact CE2-CE1 4.27Å; Y249-F283 HydrophobicContact CE2-CZ 4.01Å; Y249-F283 HydrophobicContact CG-CE1 4.4Å; S274-F283 PolarHBondContact N-O 3.22Å; S274-F283 PolarHBondContact O-N 3.3Å; F283-A314 HydrophobicContact CD1-CB 4.13Å; F283-A314 HydrophobicContact CE1-CB 4.36Å
284I91.9Very high88Confident0 Ų060.6 Ų60.60%030%0.302CS..EExtended strand (participates in β ladder)trans-116.6119.4-179.3-59.6179.8000107.8T247 V248 V250 L260 F264 L270 L273 F286T247-I284 CarbonylContact C-O 3.44Å; T247-I284 VanDerWaalsContact CA-O 3.29Å; T247-I284 WeakPolarHBondContact CA-O 3.34Å; V248-I284 PolarHBondContact N-O 3.03Å; V248-I284 PolarHBondContact O-N 3.37Å; V250-I284 HydrophobicContact CG2-CD1 3.85Å; V250-I284 HydrophobicContact CG2-CG1 4.35Å; L260-I284 HydrophobicContact CB-CD1 4.46Å; F264-I284 HydrophobicContact CB-CD1 4.1Å; F264-I284 HydrophobicContact CB-CG2 4.49Å; F264-I284 HydrophobicContact CD1-CD1 3.66Å; F264-I284 HydrophobicContact CD1-CG2 4.44Å; F264-I284 HydrophobicContact CD2-CD1 3.6Å; F264-I284 HydrophobicContact CE1-CD1 3.93Å; F264-I284 HydrophobicContact CE2-CD1 3.87Å; F264-I284 HydrophobicContact CG-CD1 3.49Å; F264-I284 VanDerWaalsContact CG-CD1 3.49Å; F264-I284 HydrophobicContact CZ-CD1 4.03Å; L270-I284 HydrophobicContact CD2-CG2 3.23Å; L273-I284 HydrophobicContact CG-CG1 4.26Å; I284-F286 HydrophobicContact CG2-CD2 4.36Å; I284-F286 HydrophobicContact CG2-CE2 3.94Å; I284-F286 HydrophobicContact CG2-CZ 4.19Å
285T90.9Very high88.2Confident3 Ų358.2 Ų58.22%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-107.3116.5-178.7-560000109.9T247 I271 D272 P318 L320T247-T285 WeakPolarHBondContact CG2-OG1 3.33Å; T247-T285 WeakPolarHBondContact OG1-CB 3.23Å; T247-T285 WeakPolarHBondContact OG1-CG2 3.46Å; T247-T285 PolarHBondContact OG1-OG1 2.99Å; I271-T285 PolarHBondContact N-O 3.39Å; D272-T285 PolarHBondContact N-O 2.97Å; D272-T285 PolarHBondContact O-N 3.26Å; T285-P318 HydrophobicContact CG2-CG 4.09Å; T285-L320 HydrophobicContact CG2-CD1 3.51Å; T285-L320 HydrophobicContact CG2-CD2 3.71Å; T285-L320 HydrophobicContact CG2-CG 3.94Å
286F92.2Very high88.5Confident0 Ų057.5 Ų57.50%028%0.284CS..EExtended strand (participates in β ladder)trans-87.4156.1176.7-73.4-80.4000112.1N246 V248 F264 N269 L270 I284 K288 A292 A295N246-F286 WeakPolarHBondContact CB-O 3.3Å; N246-F286 PolarHBondContact O-N 2.84Å; V248-F286 HydrophobicContact CG2-CD2 4.06Å; V248-F286 HydrophobicContact CG2-CE2 3.96Å; F264-F286 HydrophobicContact CB-CZ 4Å; F264-F286 HydrophobicContact CD1-CE2 4.09Å; F264-F286 AromaticContact CD1-CZ 3.83Å; F264-F286 HydrophobicContact CD1-CZ 3.83Å; F264-F286 HydrophobicContact CG-CZ 4.43Å; F264-F286 WeakPolarHBondContact O-CE1 3.43Å; N269-F286 WeakPolarHBondContact O-CA 3.27Å; L270-F286 HydrophobicContact CD2-CD1 4.12Å; L270-F286 HydrophobicContact CD2-CE1 3.66Å; L270-F286 HydrophobicContact CD2-CZ 4Å; L270-F286 HydrophobicContact CG-CE1 4.41Å; I284-F286 HydrophobicContact CG2-CD2 4.36Å; I284-F286 HydrophobicContact CG2-CE2 3.94Å; I284-F286 HydrophobicContact CG2-CZ 4.19Å; F286-K288 WeakPolarHBondContact CB-O 3.48Å; F286-A292 HydrophobicContact CB-CB 4.41Å; F286-A292 HydrophobicContact CD2-CB 3.78Å; F286-A292 HydrophobicContact CG-CB 4.42Å; F286-A295 HydrophobicContact CE2-CB 3.96Å; F286-A295 HydrophobicContact CZ-CB 3.96Å
287E89.8Confident88.7Confident91 Ų9159.6 Ų59.643%0.42531%0.307SS..SBendtrans-65.8-42169.2-172.9177.9179.800112.1N246 N269 I271N246-E287 PolarHBondContact ND2-O 2.99Å; N269-E287 HydrophobicContact CB-CB 4.28Å; N269-E287 PolarHBondContact ND2-OE2 3.4Å; N269-E287 PolarHBondContact O-N 3.48Å; I271-E287 VanDerWaalsContact CD1-CA 3.46Å; I271-E287 HydrophobicContact CD1-CB 3.97Å; I271-E287 HydrophobicContact CD1-CG 4.29Å; I271-E287 HydrophobicContact CG1-CB 4.05Å
288K90.1Very high89.5Confident125 Ų12560.4 Ų60.454%0.54331%0.307SS..SBendtrans-109.8140.8-178.4-62.6-176-179.6-177.90111F286 E290 S291 A292F286-K288 WeakPolarHBondContact CB-O 3.48Å; K288-E290 VanDerWaalsContact C-N 3.29Å; K288-E290 PolarHBondContact O-N 3.09Å; K288-S291 PolarHBondContact O-N 2.98Å; K288-A292 PolarHBondContact O-N 3.03Å
289M89.1Confident90.1Very high104 Ų10455.4 Ų55.451%0.51227%0.273SS..Hα-helixtrans-64.8-33.6172.665-178.4-179.700112.4N246 S291 A292 D293N246-M289 WeakPolarHBondContact OD1-CB 3.38Å; M289-S291 VanDerWaalsContact C-N 3.34Å; M289-S291 PolarHBondContact O-N 2.94Å; M289-A292 WeakPolarHBondContact O-CB 3.36Å; M289-A292 PolarHBondContact O-N 3.34Å; M289-D293 PolarHBondContact O-N 3.09Å
290E91.1Very high90.8Very high124 Ų12451.8 Ų51.858%0.57927%0.266SS*.Hα-helixtrans-64.5-39.7-179.9-63-179.2163.800111.8K288 A292 D293 Q294K288-E290 VanDerWaalsContact C-N 3.29Å; K288-E290 PolarHBondContact O-N 3.09Å; E290-A292 VanDerWaalsContact C-N 3.31Å; E290-A292 PolarHBondContact O-N 3.5Å; E290-D293 PolarHBondContact O-N 3.06Å; E290-Q294 WeakPolarHBondContact O-CG 3.49Å; E290-Q294 PolarHBondContact O-N 3.48Å
291S93.2Very high90.9Very high14 Ų1451 Ų5110%0.09828%0.275CS..Hα-helixtrans-63-37.8174.3-670000112.2H267 G268 K288 M289 A295H267-S291 WeakPolarHBondContact O-CB 3.39Å; H267-S291 PolarHBondContact O-OG 3.05Å; G268-S291 WeakPolarHBondContact CA-OG 3.16Å; K288-S291 PolarHBondContact O-N 2.98Å; M289-S291 VanDerWaalsContact C-N 3.34Å; M289-S291 PolarHBondContact O-N 2.94Å; S291-A295 WeakPolarHBondContact O-CB 3.36Å; S291-A295 PolarHBondContact O-N 3Å
292A91.3Very high90.8Very high0 Ų052.2 Ų52.20%029%0.285CS..Hα-helixtrans-65.7-42.4175.900000111.7G245 V248 F286 K288 M289 E290 A295 V296G245-A292 WeakPolarHBondContact O-CB 3.48Å; V248-A292 HydrophobicContact CG2-CB 3.69Å; F286-A292 HydrophobicContact CB-CB 4.41Å; F286-A292 HydrophobicContact CD2-CB 3.78Å; F286-A292 HydrophobicContact CG-CB 4.42Å; K288-A292 PolarHBondContact O-N 3.03Å; M289-A292 WeakPolarHBondContact O-CB 3.36Å; M289-A292 PolarHBondContact O-N 3.34Å; E290-A292 VanDerWaalsContact C-N 3.31Å; E290-A292 PolarHBondContact O-N 3.5Å; A292-A295 PolarHBondContact O-N 3.32Å; A292-V296 VanDerWaalsContact O-CG2 3.23Å; A292-V296 WeakPolarHBondContact O-CG2 3.26Å; A292-V296 PolarHBondContact O-N 3.46Å
293D91.1Very high90.6Very high56 Ų5656 Ų5630%0.29931%0.308SS..Hα-helixtrans-64.7-42.6177.4-74.5-16.2000111.6M289 E290 V296 A297M289-D293 PolarHBondContact O-N 3.09Å; E290-D293 PolarHBondContact O-N 3.06Å; D293-V296 PolarHBondContact O-N 2.9Å; D293-A297 PolarHBondContact O-N 2.97Å
294Q92.5Very high90.2Very high99 Ų9954.2 Ų54.246%0.46330%0.302SS..Hα-helixtrans-62.3-46.4175.2-73.6175.5-5.900112E290 V296 A297 E298E290-Q294 WeakPolarHBondContact O-CG 3.49Å; E290-Q294 PolarHBondContact O-N 3.48Å; Q294-V296 VanDerWaalsContact C-N 3.29Å; Q294-V296 PolarHBondContact O-N 3.28Å; Q294-A297 PolarHBondContact O-N 3.24Å; Q294-A297 VanDerWaalsContact O-N 3.11Å; Q294-E298 PolarHBondContact O-N 2.93Å
295A92.4Very high89.5Confident0 Ų057 Ų570%033%0.331CS..Hα-helixtrans-60.9-38.1177.500000112.1F264 H267 F286 S291 A292 L299F264-A295 HydrophobicContact CD1-CB 4.03Å; F264-A295 HydrophobicContact CE1-CB 4.14Å; H267-A295 HydrophobicContact CB-CB 4.24Å; F286-A295 HydrophobicContact CE2-CB 3.96Å; F286-A295 HydrophobicContact CZ-CB 3.96Å; S291-A295 WeakPolarHBondContact O-CB 3.36Å; S291-A295 PolarHBondContact O-N 3Å; A292-A295 PolarHBondContact O-N 3.32Å; A295-L299 HydrophobicContact CB-CD1 4.33Å; A295-L299 WeakPolarHBondContact O-CA 3.49Å; A295-L299 VanDerWaalsContact O-CB 3.22Å; A295-L299 WeakPolarHBondContact O-CB 3.38Å; A295-L299 PolarHBondContact O-N 2.92Å
296V92Very high89Confident30 Ų3064.6 Ų64.618%0.18237%0.371CS..Hα-helixtrans-68.8-35.2175.8173.90000111.5V248 A292 D293 Q294 N300 V311 I313V248-V296 HydrophobicContact CG1-CG2 3.88Å; V248-V296 HydrophobicContact CG2-CG2 4Å; A292-V296 VanDerWaalsContact O-CG2 3.23Å; A292-V296 WeakPolarHBondContact O-CG2 3.26Å; A292-V296 PolarHBondContact O-N 3.46Å; D293-V296 PolarHBondContact O-N 2.9Å; Q294-V296 VanDerWaalsContact C-N 3.29Å; Q294-V296 PolarHBondContact O-N 3.28Å; V296-N300 WeakPolarHBondContact O-CB 3.01Å; V296-V311 HydrophobicContact CB-CG1 4.42Å; V296-V311 HydrophobicContact CG2-CG1 3.92Å; V296-I313 HydrophobicContact CG2-CD1 4.48Å; V296-I313 HydrophobicContact CG2-CG1 4.29Å
297A90.9Very high88.7Confident83 Ų8365.8 Ų65.869%0.68638%0.378SS*.Hα-helixtrans-71.3-40.4178.700000112.6D293 Q294D293-A297 PolarHBondContact O-N 2.97Å; Q294-A297 PolarHBondContact O-N 3.24Å; Q294-A297 VanDerWaalsContact O-N 3.11Å
298E90.6Very high88.5Confident126 Ų12667.9 Ų67.959%0.58939%0.388SS*.Hα-helixtrans-92.6-38.2-173.1-69.3179-173.900113.5H267 Q294H267-E298 IonicContact CE1-OE2 3.27Å; H267-E298 PolarHBondContact CE1-OE2 3.46Å; H267-E298 IonicContact ND1-OE2 2.76Å; H267-E298 PolarHBondContact ND1-OE2 3.45Å; H267-E298 VanDerWaalsContact ND1-OE2 3.07Å; Q294-E298 PolarHBondContact O-N 2.93Å
299L89.9Confident88.6Confident17 Ų1762.1 Ų62.19%0.08936%0.363CS..Hα-helixtrans-95.2-7.5-173.8-60.3171.4000113.7F264 A295 G301 A302 I309 V311F264-L299 HydrophobicContact CD1-CD1 3.7Å; F264-L299 HydrophobicContact CD2-CD1 3.81Å; F264-L299 HydrophobicContact CE1-CD1 3.59Å; F264-L299 HydrophobicContact CE2-CD1 3.71Å; F264-L299 HydrophobicContact CG-CD1 3.82Å; F264-L299 HydrophobicContact CZ-CB 4.23Å; F264-L299 HydrophobicContact CZ-CD1 3.6Å; A295-L299 HydrophobicContact CB-CD1 4.33Å; A295-L299 WeakPolarHBondContact O-CA 3.49Å; A295-L299 VanDerWaalsContact O-CB 3.22Å; A295-L299 WeakPolarHBondContact O-CB 3.38Å; A295-L299 PolarHBondContact O-N 2.92Å; L299-G301 PolarHBondContact O-N 3.11Å; L299-G301 VanDerWaalsContact O-N 3.1Å; L299-A302 HydrophobicContact CD2-CB 4.34Å; L299-A302 WeakPolarHBondContact O-CB 3.47Å; L299-A302 PolarHBondContact O-N 2.92Å; L299-A302 VanDerWaalsContact O-N 3.14Å; L299-I309 HydrophobicContact CB-CD1 4.21Å; L299-V311 HydrophobicContact CB-CG2 4.03Å; L299-V311 WeakPolarHBondContact O-CG2 3.5Å
300N91.7Very high88.7Confident82 Ų8263.7 Ų63.744%0.43937%0.367SS..THydrogen-bonded Turntrans-71.5107.8177.2-177.528.6000111.2V296 V311V296-N300 WeakPolarHBondContact O-CB 3.01Å; N300-V311 HydrophobicContact CB-CB 3.99Å; N300-V311 VanDerWaalsContact CG-O 3.25Å; N300-V311 PolarHBondContact OD1-N 2.96Å; N300-V311 VanDerWaalsContact OD1-N 3.15Å; N300-V311 PolarHBondContact OD1-O 3.18Å
301G86.3Confident88.8Confident55 Ų5557.9 Ų57.957%0.56734%0.34SS*.THydrogen-bonded Turntrans902.8-174.800000113.7L299 I309L299-G301 PolarHBondContact O-N 3.11Å; L299-G301 VanDerWaalsContact O-N 3.1Å; G301-I309 VanDerWaalsContact CA-O 3.3Å; G301-I309 WeakPolarHBondContact CA-O 3.36Å; G301-I309 PolarHBondContact N-O 3.33Å
302A87.6Confident88.6Confident29 Ų2959.3 Ų59.324%0.2435%0.35CS..  trans-73.1157.7173.800000111.4L299 I309L299-A302 HydrophobicContact CD2-CB 4.34Å; L299-A302 WeakPolarHBondContact O-CB 3.47Å; L299-A302 PolarHBondContact O-N 2.92Å; L299-A302 VanDerWaalsContact O-N 3.14Å; A302-I309 VanDerWaalsContact O-CG1 3.29Å; A302-I309 WeakPolarHBondContact O-CG1 3.41Å; A302-I309 PolarHBondContact O-N 3.48Å
303V86.7Confident88.6Confident79 Ų7960.4 Ų60.448%0.47936%0.356SS..EExtended strand (participates in β ladder)trans-99.1117.6172.1-171.60000107.5G305V303-G305 WeakPolarHBondContact CG1-O 3.47Å
304V82.8Confident88.5Confident22 Ų2257.9 Ų57.913%0.13334%0.343CS..EExtended strand (participates in β ladder)trans-109.1107.81761770000107.4A263 D306 V307 I309A263-V304 HydrophobicContact CB-CG1 3.98Å; A263-V304 HydrophobicContact CB-CG2 4.12Å; V304-D306 PolarHBondContact O-N 2.96Å; V304-V307 PolarHBondContact N-O 2.77Å; V304-V307 PolarHBondContact O-N 3.06Å; V304-I309 HydrophobicContact CB-CD1 4.29Å; V304-I309 HydrophobicContact CG2-CD1 3.44Å; V304-I309 VanDerWaalsContact CG2-CD1 3.44Å; V304-I309 HydrophobicContact CG2-CG1 4.02Å
305G77.4Confident87.9Confident59 Ų5961.9 Ų61.961%0.60835%0.353SS*.THydrogen-bonded Turntrans72-117.7-165.900000110.3V303V303-G305 WeakPolarHBondContact CG1-O 3.47Å
306D80.1Confident87Confident161 Ų16170.4 Ų70.486%0.86139%0.391SS*.THydrogen-bonded Turntrans-110.78.3176.3-66.1-40.3000112.9V304V304-D306 PolarHBondContact O-N 2.96Å
307V85.1Confident86.4Confident25 Ų2572 Ų7215%0.15240%0.396CS..EExtended strand (participates in β ladder)trans-113.2129.5-171.9176.40000110.8S253 G254 L255 V304 I309S253-V307 WeakPolarHBondContact O-CG1 3.47Å; S253-V307 VanDerWaalsContact O-CG2 3.25Å; S253-V307 WeakPolarHBondContact O-CG2 3.35Å; G254-V307 WeakPolarHBondContact O-CG2 3.4Å; L255-V307 HydrophobicContact CD2-CG1 4.2Å; V304-V307 PolarHBondContact N-O 2.77Å; V304-V307 PolarHBondContact O-N 3.06Å; V307-I309 HydrophobicContact CG1-CG2 4.36Å
308H87.4Confident85.4Confident136 Ų13670.9 Ų70.963%0.6338%0.382SS*.EExtended strand (participates in β ladder)trans-77124.6173.5-64.675.8000109.5
309I91.4Very high83.9Confident4 Ų469.4 Ų69.42%0.02138%0.376CS..  trans-111.5137.5-179.863.5164000111.3V250 Y251 L255 L260 F264 L299 G301 A302 V304 V307 V311V250-I309 HydrophobicContact CG1-CB 3.97Å; V250-I309 HydrophobicContact CG1-CD1 4.37Å; V250-I309 HydrophobicContact CG1-CG2 4.26Å; Y251-I309 WeakPolarHBondContact O-CA 3.4Å; L255-I309 HydrophobicContact CD2-CG2 3.45Å; L255-I309 VanDerWaalsContact CD2-CG2 3.45Å; L260-I309 HydrophobicContact CD2-CD1 4.49Å; F264-I309 HydrophobicContact CE2-CD1 3.86Å; F264-I309 HydrophobicContact CZ-CD1 4.04Å; L299-I309 HydrophobicContact CB-CD1 4.21Å; G301-I309 VanDerWaalsContact CA-O 3.3Å; G301-I309 WeakPolarHBondContact CA-O 3.36Å; G301-I309 PolarHBondContact N-O 3.33Å; A302-I309 VanDerWaalsContact O-CG1 3.29Å; A302-I309 WeakPolarHBondContact O-CG1 3.41Å; A302-I309 PolarHBondContact O-N 3.48Å; V304-I309 HydrophobicContact CB-CD1 4.29Å; V304-I309 HydrophobicContact CG2-CD1 3.44Å; V304-I309 VanDerWaalsContact CG2-CD1 3.44Å; V304-I309 HydrophobicContact CG2-CG1 4.02Å; V307-I309 HydrophobicContact CG1-CG2 4.36Å; I309-V311 HydrophobicContact CD1-CG2 3.91Å; I309-V311 HydrophobicContact CG1-CG2 4.23Å
310K91.3Very high82.7Confident136 Ų13669.8 Ų69.859%0.59138%0.378SS*.EExtended strand (participates in β ladder)trans-108.9124.1171.4-177173-176.9171.70108.9V250 Y251V250-K310 CarbonylContact C-O 3.49Å; V250-K310 WeakPolarHBondContact CA-O 3.47Å; Y251-K310 PolarHBondContact N-O 3.47Å; Y251-K310 PolarHBondContact O-N 3.07Å
311V91.9Very high81.1Confident2 Ų271.9 Ų71.91%0.01239%0.389CS..EExtended strand (participates in β ladder)trans-117.9130.9-170.6-172.40000109V248 Y249 V250 F264 V296 L299 N300 I309V248-V311 HydrophobicContact CG1-CG1 3.12Å; Y249-V311 CarbonylContact O-C 3.53Å; Y249-V311 WeakPolarHBondContact O-CA 3.45Å; V250-V311 HydrophobicContact CG1-CG2 4.39Å; V250-V311 HydrophobicContact CG2-CG1 4.44Å; V250-V311 HydrophobicContact CG2-CG2 4.36Å; F264-V311 HydrophobicContact CE1-CG1 4.12Å; F264-V311 HydrophobicContact CZ-CG1 4.28Å; F264-V311 HydrophobicContact CZ-CG2 3.9Å; V296-V311 HydrophobicContact CB-CG1 4.42Å; V296-V311 HydrophobicContact CG2-CG1 3.92Å; L299-V311 HydrophobicContact CB-CG2 4.03Å; L299-V311 WeakPolarHBondContact O-CG2 3.5Å; N300-V311 HydrophobicContact CB-CB 3.99Å; N300-V311 VanDerWaalsContact CG-O 3.25Å; N300-V311 PolarHBondContact OD1-N 2.96Å; N300-V311 VanDerWaalsContact OD1-N 3.15Å; N300-V311 PolarHBondContact OD1-O 3.18Å; I309-V311 HydrophobicContact CD1-CG2 3.91Å; I309-V311 HydrophobicContact CG1-CG2 4.23Å
312S90.8Very high79.7Confident45 Ų4572.7 Ų72.732%0.31539%0.39SS..EExtended strand (participates in β ladder)trans-151.1157.8-179.563.10000111.4Y249 A314Y249-S312 WeakPolarHBondContact CA-O 3.36Å; Y249-S312 WeakPolarHBondContact CD1-OG 3.49Å; Y249-S312 PolarHBondContact N-O 3.16Å; Y249-S312 PolarHBondContact O-N 3.29Å; S312-A314 PolarHBondContact O-N 3Å
313I90.9Very high78Confident23 Ų2374.7 Ų74.712%0.11841%0.407CS..EExtended strand (participates in β ladder)trans-66.5128.7178.5-62.8-100.6000109.8R243 V296R243-I313 HydrophobicContact CB-CB 4.04Å; R243-I313 HydrophobicContact CB-CG2 3.76Å; R243-I313 WeakPolarHBondContact O-CD1 3.46Å; R243-I313 WeakPolarHBondContact O-CG1 3.5Å; V296-I313 HydrophobicContact CG2-CD1 4.48Å; V296-I313 HydrophobicContact CG2-CG1 4.29Å
314A88Confident76.4Confident3 Ų373.3 Ų73.33%0.02540%0.399CS..  trans-62.9139.9-175.400000111.8T247 F283 S312 K316 Q317T247-A314 HydrophobicContact CG2-CB 3.81Å; T247-A314 VanDerWaalsContact O-CB 3.27Å; T247-A314 WeakPolarHBondContact O-CB 3.41Å; T247-A314 PolarHBondContact O-N 3.24Å; F283-A314 HydrophobicContact CD1-CB 4.13Å; F283-A314 HydrophobicContact CE1-CB 4.36Å; S312-A314 PolarHBondContact O-N 3Å; A314-K316 VanDerWaalsContact C-N 3.32Å; A314-K316 PolarHBondContact O-N 3.44Å; A314-Q317 PolarHBondContact O-NE2 3.42Å
315R80.4Confident74.9Confident182 Ų18274.2 Ų74.269%0.68741%0.413SS*.SBendtrans-66-34.9179.9-69.6-169.5-68.4-177.7-3.1112.9D234D234-R315 IonicContact OD2-NH1 3.07Å
316K74.4Confident73.5Confident180 Ų18081.9 Ų81.978%0.78343%0.429SS*.SBendtrans-110.7109177.9-171.8-179.1-179.5-170.90107A314A314-K316 VanDerWaalsContact C-N 3.32Å; A314-K316 PolarHBondContact O-N 3.44Å
317Q79.3Confident72.2Confident64 Ų6476.6 Ų76.630%0.29941%0.405SS..  trans-86119173.5-64.7-67-47.400107.5G245 T247 A314 M319G245-Q317 VanDerWaalsContact C-OE1 3.31Å; G245-Q317 VanDerWaalsContact CA-OE1 3.31Å; T247-Q317 PolarHBondContact O-NE2 3.38Å; A314-Q317 PolarHBondContact O-NE2 3.42Å; Q317-M319 PolarHBondContact O-N 2.98Å
318P68.6Low70.6Confident58 Ų5881 Ų8138%0.37743%0.432SS..  trans-58.9136.7166.827-31.1000108.3T247 T285 L320T247-P318 WeakPolarHBondContact OG1-CD 3.3Å; T247-P318 WeakPolarHBondContact OG1-CG 3.32Å; T285-P318 HydrophobicContact CG2-CG 4.09Å; P318-L320 PolarHBondContact O-N 2.89Å
319M59.3Low68.6Low96 Ų9684.4 Ų84.447%0.47344%0.439SS..  trans-69.3105.7168.1-88.1-169.173.500107.6Q317 T324 V334Q317-M319 PolarHBondContact O-N 2.98Å; M319-T324 HydrophobicContact CE-CG2 3.41Å; M319-T324 VanDerWaalsContact CE-CG2 3.41Å; M319-V334 HydrophobicContact CE-CG2 4.33Å; M319-V334 HydrophobicContact SD-CB 4.03Å; M319-V334 HydrophobicContact SD-CG1 3.88Å; M319-V334 HydrophobicContact SD-CG2 3.75Å
320L64.4Low66.9Low25 Ų2585.4 Ų85.413%0.13145%0.448CS..  trans-83.6132.6169.7-63.5173.6000108.9N246 I271 T285 P318 A322 A323N246-L320 HydrophobicContact CB-CD1 3.76Å; I271-L320 HydrophobicContact CD1-CD1 3.92Å; I271-L320 HydrophobicContact CD1-CD2 4.23Å; I271-L320 HydrophobicContact CG2-CD2 4.21Å; T285-L320 HydrophobicContact CG2-CD1 3.51Å; T285-L320 HydrophobicContact CG2-CD2 3.71Å; T285-L320 HydrophobicContact CG2-CG 3.94Å; P318-L320 PolarHBondContact O-N 2.89Å; L320-A322 HydrophobicContact CB-CB 4.44Å; L320-A322 PolarHBondContact O-N 2.91Å; L320-A322 VanDerWaalsContact O-N 3.08Å; L320-A323 PolarHBondContact O-N 3.45Å
321D59.1Low65.1Low126 Ų12681.2 Ų81.267%0.67444%0.436SS*.Hα-helixtrans-58.5-22.3174-69.2-33.4000112.5A323D321-A323 VanDerWaalsContact C-N 3.3Å; D321-A323 PolarHBondContact O-N 3.27Å
322A57.4Low63.2Low71 Ų7185.8 Ų85.859%0.58746%0.46SS*.Hα-helixtrans-64.9-29.8173.400000113.2L320L320-A322 HydrophobicContact CB-CB 4.44Å; L320-A322 PolarHBondContact O-N 2.91Å; L320-A322 VanDerWaalsContact O-N 3.08Å
323A52Low61.6Low72 Ų7287 Ų8760%0.59547%0.473SS*.Hα-helixtrans-89.6-25.7-175.400000113.9L320 D321L320-A323 PolarHBondContact O-N 3.45Å; D321-A323 VanDerWaalsContact C-N 3.3Å; D321-A323 PolarHBondContact O-N 3.27Å
324T53.1Low59.8Low49 Ų4989.8 Ų89.830%0.30149%0.491SS..Hα-helixtrans-96.4-2.1-178.7380000115M319 A330M319-T324 HydrophobicContact CE-CG2 3.41Å; M319-T324 VanDerWaalsContact CE-CG2 3.41Å; T324-A330 HydrophobicContact CG2-CB 4.07Å
325G49.6Very low58.1Low42 Ų4297 Ų9743%0.43352%0.524SS..  trans59.6167.8-164.300000110.7S327G325-S327 PolarHBondContact O-N 3.42Å
326K49.2Very low56.8Low219 Ų21994.8 Ų94.895%0.95253%0.526SS*.SBendtrans-73.637.6-174.7-59.2164.5-177.9175.80112.6
327S52.8Low55.6Low51 Ų5189 Ų8936%0.35751%0.508SS..  trans-91.2107.8-178.9-177.60000110.1G325 W329 A330G325-S327 PolarHBondContact O-N 3.42Å; S327-W329 PolarHBondContact O-N 3.2Å; S327-W329 PolarHBondContact OG-N 2.92Å; S327-A330 WeakPolarHBondContact O-CB 3.44Å; S327-A330 PolarHBondContact O-N 2.91Å
328V51.2Low54.1Low117 Ų11792.4 Ų92.471%0.70953%0.533SS*.Hα-helixtrans-52.1-27.7172179.50000111.9L332V328-L332 PolarHBondContact O-N 3.34Å
329W45.6Very low53.4Low207 Ų20799.5 Ų99.578%0.78456%0.558SS**Hα-helixtrans-72.1-31.1177.9-73.191000113.5S327 A333S327-W329 PolarHBondContact O-N 3.2Å; S327-W329 PolarHBondContact OG-N 2.92Å; W329-A333 WeakPolarHBondContact O-CB 3.25Å; W329-A333 PolarHBondContact O-N 3.24Å
330A56Low52.8Low26 Ų2697.4 Ų97.422%0.21556%0.561CS.*Hα-helixtrans-68.9-41178.200000111.3T324 S327T324-A330 HydrophobicContact CG2-CB 4.07Å; S327-A330 WeakPolarHBondContact O-CB 3.44Å; S327-A330 PolarHBondContact O-N 2.91Å
331S53.1Low52Low48 Ų48101.1 Ų101.134%0.33659%0.589SS.*Hα-helixtrans-67.5-37.6177.5-470000112.4Q335S331-Q335 PolarHBondContact O-N 3.42Å
332L53Low51.5Low97 Ų97105.3 Ų105.351%0.50860%0.597SS.*Hα-helixtrans-73.3-34.5-177.9-154.476.5000113.1V328 V334V328-L332 PolarHBondContact O-N 3.34Å; L332-V334 PolarHBondContact O-N 3Å
333A55.9Low50.9Low72 Ų72111.8 Ų111.860%0.59561%0.606SS**Hα-helixtrans-64-27.1178.200000112.9W329W329-A333 WeakPolarHBondContact O-CB 3.25Å; W329-A333 PolarHBondContact O-N 3.24Å
334V54Low51Low81 Ų81113.7 Ų113.749%0.49161%0.607SS.*Hα-helixtrans-88.7-37-176.4178.70000112.1M319 L332 N336 S337M319-V334 HydrophobicContact CE-CG2 4.33Å; M319-V334 HydrophobicContact SD-CB 4.03Å; M319-V334 HydrophobicContact SD-CG1 3.88Å; M319-V334 HydrophobicContact SD-CG2 3.75Å; L332-V334 PolarHBondContact O-N 3Å; V334-N336 VanDerWaalsContact C-N 3.3Å; V334-N336 PolarHBondContact O-N 3.47Å; V334-S337 PolarHBondContact O-N 2.97Å
335Q52.9Low51.2Low153 Ų153119.9 Ų119.972%0.71563%0.629SS**Hα-helixtrans-66.6-27.9-177.7-73.3-174.1-1700113.9S331S331-Q335 PolarHBondContact O-N 3.42Å
336N53.1Low51.9Low136 Ų136128 Ų12873%0.72765%0.647SS**THydrogen-bonded Turntrans-92.4-0.2178.7-75.2-19.7000114.1V334 T338V334-N336 VanDerWaalsContact C-N 3.3Å; V334-N336 PolarHBondContact O-N 3.47Å; N336-T338 PolarHBondContact O-N 3.31Å
337S48.1Very low52Low59 Ų59124.6 Ų124.641%0.41364%0.639SS.*  trans-92.766-178-167.10000111.9V334 G340V334-S337 PolarHBondContact O-N 2.97Å; S337-G340 WeakPolarHBondContact OG-CA 3.38Å; S337-G340 PolarHBondContact OG-N 2.68Å
338T48.8Very low52.4Low135 Ų135130.6 Ų130.683%0.82866%0.662SS**SBendtrans-81.7-2.2166.751.50000112.2N336N336-T338 PolarHBondContact O-N 3.31Å
339K52Low53.2Low208 Ų208129.8 Ų129.890%0.90466%0.657SS**SBendtrans-143.335.7177.1-72.3-169.7176.6-178.60114.8
340G47.2Very low54.3Low51 Ų51125.6 Ų125.653%0.52665%0.653SS.*  trans-12575.3-17500000114.7S337S337-G340 WeakPolarHBondContact OG-CA 3.38Å; S337-G340 PolarHBondContact OG-N 2.68Å
341S47.8Very low55.1Low103 Ų103133.6 Ų133.672%0.7268%0.679SS**  trans-137.748.6147.1-1610000109.4R343S341-R343 PolarHBondContact O-N 3.07Å
342Y47.9Very low55.4Low214 Ų214134.9 Ų134.984%0.83969%0.689SS**SBendtrans-76.6113.7158-171.4-105.9000105.6D344Y342-D344 PolarHBondContact O-N 3.27Å
343R45.6Very low55.6Low207 Ų207139.4 Ų139.478%0.78171%0.707SS**  trans-56.297-177.1-61-165.484.4-173.85.8109.4S341 K345S341-R343 PolarHBondContact O-N 3.07Å; R343-K345 PolarHBondContact O-N 3.49Å; R343-K345 VanDerWaalsContact O-N 3.17Å
344D54.8Low55.7Low113 Ų113142.3 Ų142.360%0.60471%0.713SS**  trans-68.9112.9169-161.3-11.8000107.2Y342 R346Y342-D344 PolarHBondContact O-N 3.27Å; D344-R346 VanDerWaalsContact C-N 3.3Å; D344-R346 WeakPolarHBondContact OD1-CB 3.43Å; D344-R346 WeakPolarHBondContact OD1-CD 3.4Å; D344-R346 WeakPolarHBondContact OD1-CG 3.41Å; D344-R346 PolarHBondContact OD1-N 2.94Å
345K56.6Low55.8Low179 Ų179147.8 Ų147.878%0.77873%0.73SS**  trans-92.35.7177.4-65.2-176.3-179.5179.50111.5R343 N347R343-K345 PolarHBondContact O-N 3.49Å; R343-K345 VanDerWaalsContact O-N 3.17Å; K345-N347 PolarHBondContact O-N 3.18Å
346R65.1Low55.6Low211 Ų211148.7 Ų148.780%0.79674%0.739SS**PPolyproline II helixtrans-73.4124.2178.4-66.6170.9-178.3168.10.9108.5D344D344-R346 VanDerWaalsContact C-N 3.3Å; D344-R346 WeakPolarHBondContact OD1-CB 3.43Å; D344-R346 WeakPolarHBondContact OD1-CD 3.4Å; D344-R346 WeakPolarHBondContact OD1-CG 3.41Å; D344-R346 PolarHBondContact OD1-N 2.94Å
347N51.1Low55.2Low148 Ų148155.1 Ų155.179%0.79177%0.765SS**PPolyproline II helixtrans-62.8139.1172.5-67.9-28.3000109.1K345 V349K345-N347 PolarHBondContact O-N 3.18Å; N347-V349 PolarHBondContact O-N 3.33Å; N347-V349 VanDerWaalsContact O-N 3.12Å
348Q61.8Low55.5Low178 Ų178159.9 Ų159.983%0.83278%0.782SS**PPolyproline II helixtrans-59.6116.7174.5-174.9174.32400108.6V350Q348-V350 HydrophobicContact CG-CG2 4.44Å; Q348-V350 PolarHBondContact O-N 2.91Å
349V67.9Low55.9Low100 Ų100161.2 Ų161.261%0.60678%0.78SS**  trans-80.2107.4173.9-1790000106.8N347 Y351N347-V349 PolarHBondContact O-N 3.33Å; N347-V349 VanDerWaalsContact O-N 3.12Å; V349-Y351 HydrophobicContact CB-CE2 4.37Å; V349-Y351 HydrophobicContact CG1-CD1 4.49Å; V349-Y351 HydrophobicContact CG1-CD2 4.19Å; V349-Y351 HydrophobicContact CG1-CE1 4.03Å; V349-Y351 HydrophobicContact CG1-CE2 3.7Å
350V68.7Low56.1Low118 Ų118158.6 Ų158.672%0.71577%0.773SS**PPolyproline II helixtrans-89117.2169.5-177.60000106.6Q348Q348-V350 HydrophobicContact CG-CG2 4.44Å; Q348-V350 PolarHBondContact O-N 2.91Å
351Y72.8Confident56.6Low194 Ų194164.9 Ų164.976%0.76179%0.787SS**PPolyproline II helixtrans-84.9123.8168.1-64.8-82.7000107.1V349V349-Y351 HydrophobicContact CB-CE2 4.37Å; V349-Y351 HydrophobicContact CG1-CD1 4.49Å; V349-Y351 HydrophobicContact CG1-CD2 4.19Å; V349-Y351 HydrophobicContact CG1-CE1 4.03Å; V349-Y351 HydrophobicContact CG1-CE2 3.7Å
352S58.2Low57.2Low76 Ų76168.8 Ų168.853%0.53179%0.792SS.*PPolyproline II helixtrans-65.7138169.346.50000109.1D354S352-D354 WeakPolarHBondContact CB-OD2 3.48Å; S352-D354 PolarHBondContact O-N 2.93Å; S352-D354 PolarHBondContact OG-OD2 3.19Å
353E57.8Low57.8Low191 Ų191165.8 Ų165.889%0.89379%0.788SS**SBendtrans-74.827.4-178.4-61.8-144.9151.200113.2F355E353-F355 PolarHBondContact O-N 3.08Å; E353-F355 VanDerWaalsContact O-N 3.13Å
354D57.8Low58.7Low133 Ų133162.9 Ų162.971%0.71179%0.789SS**  trans-86.824.9-172.5-56.9-35.3000113S352S352-D354 WeakPolarHBondContact CB-OD2 3.48Å; S352-D354 PolarHBondContact O-N 2.93Å; S352-D354 PolarHBondContact OG-OD2 3.19Å
355F55Low59Low196 Ų196166.7 Ų166.786%0.8680%0.803SS**  trans-112.630.3-179.8-84.4-75.5000113.8E353E353-F355 PolarHBondContact O-N 3.08Å; E353-F355 VanDerWaalsContact O-N 3.13Å
356L48.9Very low59.2Low172 Ų172165.7 Ų165.790%0.90181%0.805SS**  trans-139.882.1167.6-81.3164.9000109.7
357E45.1Very low58.6Low271 Ų271161.5 Ų161.5100%1.26681%0.806SS**  trans-124.30151.7-144.8173.2-157.600109.5

Retrieved 357 of 357 residues in 269.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).