A0A060VZR3_ONCMY Loading...

Microfibril-associated glycoprotein 3

Component of the elastin-associated microfibrils.

AlphaFold DB , UniProt , Accession A0A060VZR3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110537510, Length 351 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.5Very low49.1Very low165 Ų165107.2 Ų107.281%0.81357%0.574SS**  0132.80-68.2159.469.300108
2S40.7Very low50.1Low77 Ų77106.8 Ų106.854%0.53857%0.57SS.*  trans-87.5140.9-170.441.20000113.4T4 Q5S2-T4 PolarHBondContact O-N 2.98Å; S2-T4 VanDerWaalsContact O-N 3.12Å; S2-Q5 PolarHBondContact O-N 3Å
3H45.3Very low51.1Low168 Ų168106.2 Ų106.278%0.77857%0.573SS**Hα-helixtrans-51.7-35.8-179.7-119.4-109.1000113.2Q5 A6 H7H3-Q5 VanDerWaalsContact C-N 3.27Å; H3-Q5 PolarHBondContact O-N 2.71Å; H3-A6 PolarHBondContact O-N 2.93Å; H3-H7 PolarHBondContact O-N 2.8Å
4T48.8Very low52.1Low102 Ų102108.3 Ų108.363%0.62657%0.574SS**Hα-helixtrans-53-40.5-179.4-26.30000113.1S2 H7 S8S2-T4 PolarHBondContact O-N 2.98Å; S2-T4 VanDerWaalsContact O-N 3.12Å; T4-H7 WeakPolarHBondContact O-CB 3.26Å; T4-H7 PolarHBondContact O-N 3.02Å; T4-S8 PolarHBondContact O-N 3.38Å; T4-S8 PolarHBondContact O-OG 2.7Å
5Q44Very low52.3Low97 Ų97105.3 Ų105.345%0.45357%0.565SS.*Hα-helixtrans-74-36.1-173.2-157.1176.61700112.1S2 H3 H7 Y9S2-Q5 PolarHBondContact O-N 3Å; H3-Q5 VanDerWaalsContact C-N 3.27Å; H3-Q5 PolarHBondContact O-N 2.71Å; Q5-H7 VanDerWaalsContact C-N 3.34Å; Q5-Y9 HydrophobicContact CG-CE2 4.03Å; Q5-Y9 WeakPolarHBondContact O-CD2 3.42Å; Q5-Y9 PolarHBondContact O-N 2.94Å
6A48.9Very low53.5Low62 Ų62102.5 Ų102.551%0.51255%0.552SS.*Hα-helixtrans-65.1-40.4171.700000111.2H3 S8 Y9 T10H3-A6 PolarHBondContact O-N 2.93Å; A6-S8 PolarHBondContact O-N 3.23Å; A6-Y9 PolarHBondContact O-N 3.27Å; A6-T10 PolarHBondContact O-N 3.43Å; A6-T10 PolarHBondContact O-OG1 3.34Å; A6-T10 VanDerWaalsContact O-OG1 3.05Å
7H49.1Very low54.3Low139 Ų139100.6 Ų100.664%0.64455%0.548SS*.Hα-helixtrans-59.5-44.7178.9-125.2-110.9000112.7H3 T4 Q5 Y9 T10 L11H3-H7 PolarHBondContact O-N 2.8Å; T4-H7 WeakPolarHBondContact O-CB 3.26Å; T4-H7 PolarHBondContact O-N 3.02Å; Q5-H7 VanDerWaalsContact C-N 3.34Å; H7-Y9 PolarHBondContact O-N 2.95Å; H7-T10 PolarHBondContact O-N 3.06Å; H7-L11 WeakPolarHBondContact O-CB 3.39Å; H7-L11 PolarHBondContact O-N 3.3Å
8S52.4Low54.7Low64 Ų64101.8 Ų101.845%0.44855%0.551SS.*Hα-helixtrans-62.8-42178.4-610000113T4 A6 L11 I12T4-S8 PolarHBondContact O-N 3.38Å; T4-S8 PolarHBondContact O-OG 2.7Å; A6-S8 PolarHBondContact O-N 3.23Å; S8-L11 PolarHBondContact O-N 3.46Å; S8-I12 VanDerWaalsContact O-CG1 3.31Å; S8-I12 WeakPolarHBondContact O-CG1 3.48Å; S8-I12 PolarHBondContact O-N 3.11Å
9Y54.6Low55.3Low121 Ų121101.9 Ų101.948%0.47555%0.55SS..Hα-helixtrans-65.7-42.8175.7-69-59000111.9Q5 A6 H7 L11 I12 T13 L167Q5-Y9 HydrophobicContact CG-CE2 4.03Å; Q5-Y9 WeakPolarHBondContact O-CD2 3.42Å; Q5-Y9 PolarHBondContact O-N 2.94Å; A6-Y9 PolarHBondContact O-N 3.27Å; H7-Y9 PolarHBondContact O-N 2.95Å; Y9-L11 VanDerWaalsContact C-N 3.28Å; Y9-L11 PolarHBondContact O-N 3Å; Y9-I12 PolarHBondContact O-N 3.39Å; Y9-T13 PolarHBondContact O-N 3.44Å; Y9-T13 PolarHBondContact O-OG1 3.42Å; Y9-T13 VanDerWaalsContact O-OG1 3.13Å; Y9-L167 HydrophobicContact CE2-CD1 4.24Å
10T57.3Low55.8Low73 Ų7399 Ų9945%0.44853%0.533SS..Hα-helixtrans-60.6-38.3174.7-55.10000112A6 H7 K14A6-T10 PolarHBondContact O-N 3.43Å; A6-T10 PolarHBondContact O-OG1 3.34Å; A6-T10 VanDerWaalsContact O-OG1 3.05Å; H7-T10 PolarHBondContact O-N 3.06Å; T10-K14 HydrophobicContact CG2-CD 4.3Å; T10-K14 WeakPolarHBondContact O-CB 3.45Å; T10-K14 VanDerWaalsContact O-CG 3.31Å; T10-K14 WeakPolarHBondContact O-CG 3.46Å; T10-K14 PolarHBondContact O-N 2.94Å
11L53.3Low56.2Low111 Ų11198.3 Ų98.358%0.58153%0.533SS*.Hα-helixtrans-67.2-45.4177.7-170.565.9000111.7H7 S8 Y9 T13 K14 C15H7-L11 WeakPolarHBondContact O-CB 3.39Å; H7-L11 PolarHBondContact O-N 3.3Å; S8-L11 PolarHBondContact O-N 3.46Å; Y9-L11 VanDerWaalsContact C-N 3.28Å; Y9-L11 PolarHBondContact O-N 3Å; L11-T13 PolarHBondContact O-N 2.98Å; L11-K14 PolarHBondContact O-N 2.7Å; L11-C15 PolarHBondContact O-N 3.35Å; L11-C15 PolarHBondContact O-SG 3.28Å; L11-C15 VanDerWaalsContact O-SG 3.34Å
12I60.9Low56.7Low103 Ų10396 Ų9653%0.52852%0.52SS..Hα-helixtrans-59.8-47.5176.6-67.6162.5000110.7S8 Y9 K14 C15 V16S8-I12 VanDerWaalsContact O-CG1 3.31Å; S8-I12 WeakPolarHBondContact O-CG1 3.48Å; S8-I12 PolarHBondContact O-N 3.11Å; Y9-I12 PolarHBondContact O-N 3.39Å; I12-K14 VanDerWaalsContact C-N 3.31Å; I12-K14 PolarHBondContact O-N 3.07Å; I12-C15 PolarHBondContact O-N 3.31Å; I12-V16 HydrophobicContact CG2-CG2 4.49Å; I12-V16 WeakPolarHBondContact O-CG2 3.32Å; I12-V16 PolarHBondContact O-N 2.88Å
13T63.4Low57.4Low98 Ų9898.1 Ų98.160%0.60153%0.525SS*.Hα-helixtrans-62.3-37.7177.2-55.90000112.1Y9 L11 C17Y9-T13 PolarHBondContact O-N 3.44Å; Y9-T13 PolarHBondContact O-OG1 3.42Å; Y9-T13 VanDerWaalsContact O-OG1 3.13Å; L11-T13 PolarHBondContact O-N 2.98Å; T13-C17 VanDerWaalsContact O-CB 3.23Å; T13-C17 WeakPolarHBondContact O-CB 3.33Å; T13-C17 PolarHBondContact O-N 3.09Å
14K65.6Low57.7Low136 Ų13694.9 Ų94.959%0.59151%0.508SS*.Hα-helixtrans-66.7-43.5174.7-78.9179.8175.9-172.80112.6T10 L11 I12 C17 M18T10-K14 HydrophobicContact CG2-CD 4.3Å; T10-K14 WeakPolarHBondContact O-CB 3.45Å; T10-K14 VanDerWaalsContact O-CG 3.31Å; T10-K14 WeakPolarHBondContact O-CG 3.46Å; T10-K14 PolarHBondContact O-N 2.94Å; L11-K14 PolarHBondContact O-N 2.7Å; I12-K14 VanDerWaalsContact C-N 3.31Å; I12-K14 PolarHBondContact O-N 3.07Å; K14-C17 PolarHBondContact O-N 3.45Å; K14-M18 WeakPolarHBondContact O-CB 3.21Å; K14-M18 PolarHBondContact O-N 3.26Å
15C55.2Low57.8Low64 Ų6493.2 Ų93.243%0.43251%0.505SS..Hα-helixtrans-63.9-45176.8-68.40000111.8L11 I12 C17 M18 I19L11-C15 PolarHBondContact O-N 3.35Å; L11-C15 PolarHBondContact O-SG 3.28Å; L11-C15 VanDerWaalsContact O-SG 3.34Å; I12-C15 PolarHBondContact O-N 3.31Å; C15-C17 PolarHBondContact O-N 3.03Å; C15-M18 PolarHBondContact O-N 3.5Å; C15-I19 VanDerWaalsContact O-CG1 3.29Å; C15-I19 WeakPolarHBondContact O-CG1 3.23Å; C15-I19 PolarHBondContact O-N 2.71Å
16V70.8Confident58Low60 Ų6093.5 Ų93.536%0.36452%0.517SS..Hα-helixtrans-60.7-45.6175.4170.20000110.6I12 I19 I20 F156I12-V16 HydrophobicContact CG2-CG2 4.49Å; I12-V16 WeakPolarHBondContact O-CG2 3.32Å; I12-V16 PolarHBondContact O-N 2.88Å; V16-I19 PolarHBondContact O-N 2.9Å; V16-I20 HydrophobicContact CG1-CD1 3.77Å; V16-I20 VanDerWaalsContact O-CD1 3.3Å; V16-I20 WeakPolarHBondContact O-CD1 3.39Å; V16-I20 WeakPolarHBondContact O-CG1 3.42Å; V16-I20 PolarHBondContact O-N 3.27Å; V16-F156 HydrophobicContact CG1-CE1 3.81Å; V16-F156 HydrophobicContact CG1-CZ 4.4Å
17C66.6Low57.9Low71 Ų7193.3 Ų93.348%0.4852%0.522SS..Hα-helixtrans-59-47.9175.1-1700000112T13 K14 C15 I19 I20 T21T13-C17 VanDerWaalsContact O-CB 3.23Å; T13-C17 WeakPolarHBondContact O-CB 3.33Å; T13-C17 PolarHBondContact O-N 3.09Å; K14-C17 PolarHBondContact O-N 3.45Å; C15-C17 PolarHBondContact O-N 3.03Å; C17-I19 PolarHBondContact O-N 3Å; C17-I20 WeakPolarHBondContact O-CB 3.42Å; C17-I20 PolarHBondContact O-N 3.5Å; C17-T21 PolarHBondContact O-N 2.8Å; C17-T21 PolarHBondContact O-OG1 2.86Å; C17-T21 VanDerWaalsContact O-OG1 3.05Å
18M62.5Low57.5Low122 Ų12294.5 Ų94.560%0.60153%0.527SS*.Hα-helixtrans-60.4-42177.2-81.1-171.168.300112.9K14 C15 I20 T21 Q22K14-M18 WeakPolarHBondContact O-CB 3.21Å; K14-M18 PolarHBondContact O-N 3.26Å; C15-M18 PolarHBondContact O-N 3.5Å; M18-I20 VanDerWaalsContact C-N 3.32Å; M18-I20 PolarHBondContact O-N 2.62Å; M18-T21 PolarHBondContact O-N 2.83Å; M18-Q22 WeakPolarHBondContact O-CB 3.36Å; M18-Q22 WeakPolarHBondContact O-CG 3.48Å; M18-Q22 PolarHBondContact O-N 2.86Å
19I66.8Low57Low103 Ų10395.6 Ų95.653%0.52854%0.54SS..Hα-helixtrans-62.5-42.3177.3-69.1163.2000110.4C15 V16 C17 Q22 L23C15-I19 VanDerWaalsContact O-CG1 3.29Å; C15-I19 WeakPolarHBondContact O-CG1 3.23Å; C15-I19 PolarHBondContact O-N 2.71Å; V16-I19 PolarHBondContact O-N 2.9Å; C17-I19 PolarHBondContact O-N 3Å; I19-Q22 PolarHBondContact O-N 3.5Å; I19-L23 HydrophobicContact CG2-CD1 4.02Å; I19-L23 WeakPolarHBondContact O-CB 3.36Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.24Å; I19-L23 PolarHBondContact O-N 3.48Å
20I65.3Low56.5Low44 Ų4498.8 Ų98.823%0.22656%0.559CS.*Hα-helixtrans-62.2-47.9175.2-64.5158.9000110.7V16 C17 M18 Q22 L23 F24 F156V16-I20 HydrophobicContact CG1-CD1 3.77Å; V16-I20 VanDerWaalsContact O-CD1 3.3Å; V16-I20 WeakPolarHBondContact O-CD1 3.39Å; V16-I20 WeakPolarHBondContact O-CG1 3.42Å; V16-I20 PolarHBondContact O-N 3.27Å; C17-I20 WeakPolarHBondContact O-CB 3.42Å; C17-I20 PolarHBondContact O-N 3.5Å; M18-I20 VanDerWaalsContact C-N 3.32Å; M18-I20 PolarHBondContact O-N 2.62Å; I20-Q22 PolarHBondContact O-N 2.94Å; I20-L23 PolarHBondContact O-N 3.19Å; I20-F24 HydrophobicContact CG2-CD2 3.65Å; I20-F24 HydrophobicContact CG2-CE2 3.52Å; I20-F24 VanDerWaalsContact O-CD2 3.23Å; I20-F24 WeakPolarHBondContact O-CD2 3.24Å; I20-F24 PolarHBondContact O-N 3.24Å; I20-F156 HydrophobicContact CD1-CD1 4.46Å; I20-F156 HydrophobicContact CD1-CD2 4.13Å; I20-F156 HydrophobicContact CD1-CE1 3.86Å; I20-F156 HydrophobicContact CD1-CE2 3.49Å; I20-F156 VanDerWaalsContact CD1-CE2 3.49Å; I20-F156 HydrophobicContact CD1-CZ 3.35Å; I20-F156 HydrophobicContact CG1-CE2 4.1Å; I20-F156 HydrophobicContact CG1-CZ 3.96Å
21T62.7Low55.4Low85 Ų85101.7 Ų101.752%0.52157%0.568SS.*Hα-helixtrans-64.9-36.3179-52.30000112.6C17 M18 F24 A25C17-T21 PolarHBondContact O-N 2.8Å; C17-T21 PolarHBondContact O-OG1 2.86Å; C17-T21 VanDerWaalsContact O-OG1 3.05Å; M18-T21 PolarHBondContact O-N 2.83Å; T21-F24 PolarHBondContact O-N 3.44Å; T21-A25 WeakPolarHBondContact O-CB 3.48Å; T21-A25 PolarHBondContact O-N 2.85Å
22Q56.3Low54.3Low116 Ų116102.5 Ų102.554%0.54257%0.57SS.*Hα-helixtrans-62.8-47.2173.2-73.4-88.8-10.700111.2M18 I19 I20 F24 A25 S26M18-Q22 WeakPolarHBondContact O-CB 3.36Å; M18-Q22 WeakPolarHBondContact O-CG 3.48Å; M18-Q22 PolarHBondContact O-N 2.86Å; I19-Q22 PolarHBondContact O-N 3.5Å; I20-Q22 PolarHBondContact O-N 2.94Å; Q22-F24 VanDerWaalsContact C-N 3.33Å; Q22-F24 PolarHBondContact O-N 3.12Å; Q22-A25 PolarHBondContact O-N 3.18Å; Q22-S26 PolarHBondContact O-N 2.98Å; Q22-S26 PolarHBondContact O-OG 2.8Å
23L54.8Low52.9Low122 Ų122104.5 Ų104.564%0.63959%0.588SS**Hα-helixtrans-61.7-39.1176.2-70.7166.8000112.2I19 I20 G27I19-L23 HydrophobicContact CG2-CD1 4.02Å; I19-L23 WeakPolarHBondContact O-CB 3.36Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.24Å; I19-L23 PolarHBondContact O-N 3.48Å; I20-L23 PolarHBondContact O-N 3.19Å; L23-G27 PolarHBondContact O-N 2.63Å
24F52.9Low51.7Low100 Ų100108.5 Ų108.544%0.43960%0.597SS.*Hα-helixtrans-68.7-38.1173.2-81.4-63000113.2I20 T21 Q22 S26 G27 H28 V149I20-F24 HydrophobicContact CG2-CD2 3.65Å; I20-F24 HydrophobicContact CG2-CE2 3.52Å; I20-F24 VanDerWaalsContact O-CD2 3.23Å; I20-F24 WeakPolarHBondContact O-CD2 3.24Å; I20-F24 PolarHBondContact O-N 3.24Å; T21-F24 PolarHBondContact O-N 3.44Å; Q22-F24 VanDerWaalsContact C-N 3.33Å; Q22-F24 PolarHBondContact O-N 3.12Å; F24-S26 VanDerWaalsContact C-N 3.35Å; F24-S26 PolarHBondContact O-N 3.38Å; F24-G27 CarbonylContact O-C 3.6Å; F24-G27 WeakPolarHBondContact O-CA 3.43Å; F24-G27 PolarHBondContact O-N 2.72Å; F24-H28 PolarHBondContact O-N 3.28Å; F24-V149 HydrophobicContact CE1-CG2 3.65Å; F24-V149 HydrophobicContact CZ-CG2 3.73Å
25A50.6Low50.2Low67 Ų67109.7 Ų109.755%0.55461%0.61SS**Hα-helixtrans-62.9-40.9175.900000111.7T21 Q22 G27 H28T21-A25 WeakPolarHBondContact O-CB 3.48Å; T21-A25 PolarHBondContact O-N 2.85Å; Q22-A25 PolarHBondContact O-N 3.18Å; A25-G27 PolarHBondContact O-N 3.45Å; A25-H28 PolarHBondContact O-N 2.86Å
26S47.4Very low49.6Very low102 Ų102110 Ų11071%0.71362%0.623SS**Hα-helixtrans-65.6-20.6170.9-56.40000113.7Q22 F24Q22-S26 PolarHBondContact O-N 2.98Å; Q22-S26 PolarHBondContact O-OG 2.8Å; F24-S26 VanDerWaalsContact C-N 3.35Å; F24-S26 PolarHBondContact O-N 3.38Å
27G46.7Very low47.7Very low58 Ų58116.8 Ų116.860%0.59865%0.648SS**THydrogen-bonded Turntrans-99.615.1178.200000115.4L23 F24 A25L23-G27 PolarHBondContact O-N 2.63Å; F24-G27 CarbonylContact O-C 3.6Å; F24-G27 WeakPolarHBondContact O-CA 3.43Å; F24-G27 PolarHBondContact O-N 2.72Å; A25-G27 PolarHBondContact O-N 3.45Å
28H42.2Very low46.8Very low164 Ų164121.4 Ų121.476%0.75966%0.662SS**  trans-128.410.3-179.1-10430.8000115.1F24 A25 E30F24-H28 PolarHBondContact O-N 3.28Å; A25-H28 PolarHBondContact O-N 2.86Å; H28-E30 VanDerWaalsContact C-N 3.33Å; H28-E30 PolarHBondContact O-N 3.18Å
29A41.1Very low45.3Very low88 Ų88123.5 Ų123.573%0.72768%0.676SS**SBendtrans-90.235.4178.400000114.2
30E43.8Very low43.9Very low187 Ų187127.6 Ų127.687%0.87468%0.684SS**  trans-169.486165.8-118.5173.3-158.700114.7H28H28-E30 VanDerWaalsContact C-N 3.33Å; H28-E30 PolarHBondContact O-N 3.18Å
31E34.1Very low42.7Very low134 Ų134130.8 Ų130.863%0.62671%0.711SS**SBend-167.7141.2127.5-118.3-175.4-178.600114.3K60E31-K60 IonicContact OE1-NZ 2.62Å; E31-K60 PolarHBondContact OE1-NZ 3.33Å
32M30.8Very low42Very low129 Ų129133.3 Ų133.364%0.63572%0.72SS**  trans5779.3157.1-51.5-156.8-150.400121.2K34M32-K34 PolarHBondContact O-N 2.91Å
33T30.7Very low41.3Very low145 Ų145133.8 Ų133.889%0.8973%0.731SS**  trans-76.7103.7141.1-45.40000109.1
34K38.4Very low40.6Very low182 Ų182132 Ų13279%0.79173%0.729SS**  trans-93.5103.9165.5-89.2-173.1177.2176.50109.7M32M32-K34 PolarHBondContact O-N 2.91Å
35D34.9Very low40.5Very low161 Ų161134.5 Ų134.586%0.86175%0.745SS**  trans-149.1152.5153.8-137.9-30000112.7K37D35-K37 PolarHBondContact O-N 3.38Å
36G42.3Very low40.2Very low69 Ų69139 Ų13971%0.71176%0.755SS**  trans-96.990.9-158.900000115.7
37K31.3Very low39.9Very low204 Ų204144.2 Ų144.289%0.88776%0.76SS**  trans-154.2112.5153.8-125.2167.9-1741730113.7D35 N39D35-K37 PolarHBondContact O-N 3.38Å; K37-N39 PolarHBondContact O-N 2.82Å
38Q46.7Very low39.8Very low168 Ų168147.9 Ų147.979%0.78577%0.765SS**  trans-81.176.7-176-169.2175.736.100112.3R40Q38-R40 HydrophobicContact CG-CB 4.47Å; Q38-R40 PolarHBondContact O-N 3.39Å
39N32.2Very low39.8Very low165 Ų165144.7 Ų144.788%0.88277%0.767SS**  trans-92.383.4164.5-120.218.7000109.4K37 S41K37-N39 PolarHBondContact O-N 2.82Å; N39-S41 PolarHBondContact O-N 3.02Å
40R36.3Very low40Very low189 Ų189145.3 Ų145.371%0.71377%0.766SS**  trans-74.684.9-174.8-168.9179.7-167.8167.22.4110.5Q38 L42Q38-R40 HydrophobicContact CG-CB 4.47Å; Q38-R40 PolarHBondContact O-N 3.39Å; R40-L42 HydrophobicContact CG-CD2 4.43Å; R40-L42 PolarHBondContact O-N 2.85Å
41S40.3Very low39.6Very low112 Ų112143.2 Ų143.278%0.78376%0.76SS**  trans-62104.4170.8-165.90000109.3N39 V43N39-S41 PolarHBondContact O-N 3.02Å; S41-V43 PolarHBondContact O-N 3.43Å
42L49Very low40.5Very low137 Ų137141.7 Ų141.772%0.71776%0.762SS**  trans-78.688.2-175.9-79.2165000110R40 S44R40-L42 HydrophobicContact CG-CD2 4.43Å; R40-L42 PolarHBondContact O-N 2.85Å; L42-S44 PolarHBondContact O-N 2.9Å; L42-S44 VanDerWaalsContact O-N 3.11Å
43V40.7Very low41.6Very low127 Ų127140.9 Ų140.977%0.7776%0.764SS**  trans-59.2114158.6-1790000107S41 I45S41-V43 PolarHBondContact O-N 3.43Å; V43-I45 PolarHBondContact O-N 2.72Å
44S41Very low42.8Very low84 Ų84141.1 Ų141.159%0.58776%0.759SS**  trans-64.9118.8-171.5-174.20000111L42 H46L42-S44 PolarHBondContact O-N 2.9Å; L42-S44 VanDerWaalsContact O-N 3.11Å; S44-H46 PolarHBondContact O-N 3.35Å
45I49.9Very low44.9Very low153 Ų153137.7 Ų137.779%0.78574%0.741SS**THydrogen-bonded Turntrans-79.141.6-175-38-179000111.2V43V43-I45 PolarHBondContact O-N 2.72Å
46H45.3Very low47.5Very low162 Ų162132.1 Ų132.175%0.7571%0.711SS**THydrogen-bonded Turntrans-108.2-19.9174.3-97.5-85.4000113S44S44-H46 PolarHBondContact O-N 3.35Å
47Y40.5Very low49.8Very low210 Ų210131 Ų13182%0.82469%0.689SS**THydrogen-bonded Turntrans-90.3-11-171-153.1-98000115.2A49Y47-A49 VanDerWaalsContact C-N 3.29Å
48L43.8Very low52.6Low136 Ų136127.2 Ų127.271%0.71268%0.677SS**THydrogen-bonded Turntrans-86.64.4175.5-64.9178.5000113.6S50L48-S50 PolarHBondContact O-N 2.85Å; L48-S50 VanDerWaalsContact O-N 3.08Å
49A42.3Very low54.8Low96 Ų96119.8 Ų119.879%0.79364%0.643SS**THydrogen-bonded Turntrans-75.911.4-172.800000115.4Y47Y47-A49 VanDerWaalsContact C-N 3.29Å
50S44.8Very low57.5Low101 Ų101116.7 Ų116.771%0.70662%0.622SS**THydrogen-bonded Turntrans-124.5-1.8-173.657.50000115.3L48L48-S50 PolarHBondContact O-N 2.85Å; L48-S50 VanDerWaalsContact O-N 3.08Å
51L37.1Very low60.1Low143 Ų143110.4 Ų110.475%0.74960%0.6SS**  trans-89.9119.2176.1-93.6165.3000111.4
52P52.8Low62.3Low103 Ų103107.5 Ų107.567%0.66959%0.588SS**  trans-74.6130.5179.228.3-33.1000112.5L54P52-L54 PolarHBondContact O-N 3.17Å
53T53.7Low64.3Low111 Ų111102.9 Ų102.968%0.68157%0.57SS**  trans75.512.7150.6670000121.1R55T53-R55 PolarHBondContact O-N 2.95Å
54L56Low66.7Low150 Ų150100.6 Ų100.679%0.78556%0.56SS**  trans-74.779.6161.9-133.980000110.5P52 D56P52-L54 PolarHBondContact O-N 3.17Å; L54-D56 WeakPolarHBondContact CG-OD1 3.2Å
55R81.9Confident69.2Low111 Ų11197.7 Ų97.742%0.41954%0.538SS..  trans-99.175.5172.5-70.6-170.2-72-126.6-3.8109.1T53 Y131 T132 I133 T134T53-R55 PolarHBondContact O-N 2.95Å; R55-Y131 HydrophobicContact CG-CE2 4.35Å; R55-T132 WeakPolarHBondContact CD-O 3.12Å; R55-T132 PolarHBondContact NE-O 3.32Å; R55-I133 HydrophobicContact CB-CG1 4.35Å; R55-I133 CarbonylContact O-C 3.5Å; R55-I133 WeakPolarHBondContact O-CA 3.33Å; R55-I133 WeakPolarHBondContact O-CG1 3.5Å; R55-T134 PolarHBondContact O-N 3.23Å
56D88.9Confident71.3Confident43 Ų4395.2 Ų95.223%0.2353%0.526CS..EExtended strand (participates in β ladder)trans-136.2152.3175.161.6-21.9000112.8L54 T134 R136L54-D56 WeakPolarHBondContact CG-OD1 3.2Å; D56-T134 VanDerWaalsContact CA-O 3.23Å; D56-T134 WeakPolarHBondContact CA-O 3.29Å; D56-T134 WeakPolarHBondContact CB-O 3.44Å; D56-R136 IonicContact OD2-CZ 2.71Å; D56-R136 IonicContact OD2-NE 2.86Å; D56-R136 PolarHBondContact OD2-NE 3.22Å; D56-R136 IonicContact OD2-NH2 3.58Å; D56-R136 PolarHBondContact OD2-NH2 3.45Å
57I91.4Very high73.5Confident46 Ų4687.6 Ų87.624%0.23649%0.491CS..EExtended strand (participates in β ladder)trans-132.3143.7178.552.1171.8000109.3I67 I133 T134 L135 R136I57-I67 HydrophobicContact CD1-CD1 3.82Å; I57-I67 HydrophobicContact CD1-CG1 3.78Å; I57-I133 HydrophobicContact CD1-CD1 4.27Å; I57-I133 HydrophobicContact CG1-CD1 4.24Å; I57-I133 HydrophobicContact CG2-CD1 3.88Å; I57-T134 PolarHBondContact N-O 2.99Å; I57-L135 HydrophobicContact CD1-CD1 4Å; I57-L135 HydrophobicContact CG1-CD1 4.02Å; I57-R136 WeakPolarHBondContact O-CB 3.47Å; I57-R136 PolarHBondContact O-N 3.13Å
58I90.9Very high75.9Confident125 Ų12584.2 Ų84.264%0.64148%0.483SS*.EExtended strand (participates in β ladder)trans-113.5119.1-179.9-59.7171.9000108.1R136 A138I58-R136 WeakPolarHBondContact CA-O 3.2Å; I58-R136 HydrophobicContact CG1-CB 4.1Å; I58-A138 HydrophobicContact CG2-CB 3.69Å
59V91.7Very high78.1Confident12 Ų1278.6 Ų78.67%0.07345%0.454CS..EExtended strand (participates in β ladder)trans-123.7131.5-177.3-175.80000109.5A63 T65 V110 L135 R136 V137 A138V59-A63 HydrophobicContact CG1-CB 4.22Å; V59-T65 HydrophobicContact CG2-CG2 4.04Å; V59-T65 WeakPolarHBondContact CG2-OG1 3.46Å; V59-V110 HydrophobicContact CG1-CB 4.22Å; V59-V110 HydrophobicContact CG1-CG1 4.48Å; V59-V110 HydrophobicContact CG1-CG2 3.98Å; V59-L135 HydrophobicContact CB-CD1 4.04Å; V59-L135 HydrophobicContact CG2-CD1 3.55Å; V59-R136 PolarHBondContact N-O 3.28Å; V59-V137 CarbonylContact O-C 3.36Å; V59-V137 WeakPolarHBondContact O-CA 3.36Å; V59-A138 PolarHBondContact O-N 3.05Å
60K90.3Very high80.3Confident100 Ų10079.7 Ų79.744%0.43545%0.447SS..EExtended strand (participates in β ladder)trans-66.3133.2175.9-74.2-178.1166.1-169.30109.8E31 A63 A138 V140E31-K60 IonicContact OE1-NZ 2.62Å; E31-K60 PolarHBondContact OE1-NZ 3.33Å; K60-A63 WeakPolarHBondContact O-CB 3.23Å; K60-A63 PolarHBondContact O-N 3.39Å; K60-A138 CarbonylContact C-O 3.54Å; K60-A138 WeakPolarHBondContact CA-O 3.4Å; K60-A138 HydrophobicContact CG-CB 4.28Å; K60-V140 HydrophobicContact CB-CG1 4.01Å; K60-V140 HydrophobicContact CB-CG2 3.96Å; K60-V140 HydrophobicContact CD-CG1 3.79Å; K60-V140 HydrophobicContact CG-CG1 3.72Å
61E89.2Confident82.3Confident56 Ų5676 Ų7626%0.26242%0.42SS..THydrogen-bonded Turntrans-53.8139.1176.3-176.4163.1-129.700111.7A63 F112 V137 A138 Y139 V140E61-A63 PolarHBondContact O-N 3.03Å; E61-F112 WeakPolarHBondContact OE1-CB 3.27Å; E61-F112 PolarHBondContact OE1-N 3.31Å; E61-V137 HydrophobicContact CB-CG1 3.83Å; E61-V137 HydrophobicContact CG-CG1 4.46Å; E61-A138 PolarHBondContact N-O 3.03Å; E61-Y139 WeakPolarHBondContact OE2-CD2 3.3Å; E61-Y139 VanDerWaalsContact OE2-CE2 3.28Å; E61-Y139 WeakPolarHBondContact OE2-CE2 3.03Å; E61-V140 HydrophobicContact CB-CG2 4.14Å; E61-V140 WeakPolarHBondContact O-CG2 3.47Å
62G87.7Confident84.5Confident51 Ų5176 Ų7653%0.52643%0.426SS..THydrogen-bonded Turntrans79.7-8.3-173.900000115.1V110G62-V110 PolarHBondContact N-O 3.35Å
63A90.1Very high85.9Confident40 Ų4074.2 Ų74.233%0.33143%0.426SS..  trans-85.5163.2172.200000112.1V59 K60 E61 V110V59-A63 HydrophobicContact CG1-CB 4.22Å; K60-A63 WeakPolarHBondContact O-CB 3.23Å; K60-A63 PolarHBondContact O-N 3.39Å; E61-A63 PolarHBondContact O-N 3.03Å; A63-V110 WeakPolarHBondContact O-CB 3.27Å; A63-V110 PolarHBondContact O-N 3.34Å
64S92.2Very high87.4Confident80 Ų8078 Ų7856%0.55943%0.433SS*.  trans-87.8160.6168.558.60000111.8I107 T108S64-I107 CarbonylContact C-O 3.58Å; S64-I107 VanDerWaalsContact CA-O 3.22Å; S64-I107 WeakPolarHBondContact CA-O 3.26Å; S64-I107 WeakPolarHBondContact CB-O 3.25Å; S64-T108 VanDerWaalsContact CB-O 3.29Å; S64-T108 WeakPolarHBondContact CB-O 3.23Å
65T92.9Very high88.8Confident22 Ų2272.5 Ų72.514%0.13541%0.407CS..EExtended strand (participates in β ladder)trans-147152.2171.7-1660000112.6V59 I67 N106 I107 V110 L135V59-T65 HydrophobicContact CG2-CG2 4.04Å; V59-T65 WeakPolarHBondContact CG2-OG1 3.46Å; T65-I67 HydrophobicContact CG2-CD1 4.36Å; T65-I67 HydrophobicContact CG2-CG1 4.26Å; T65-N106 WeakPolarHBondContact O-CA 3.36Å; T65-N106 PolarHBondContact O-OD1 2.98Å; T65-I107 HydrophobicContact CG2-CB 4.05Å; T65-I107 HydrophobicContact CG2-CD1 4.14Å; T65-I107 HydrophobicContact CG2-CG1 4.22Å; T65-I107 PolarHBondContact N-O 3.49Å; T65-I107 PolarHBondContact O-N 3.49Å; T65-V110 HydrophobicContact CG2-CG2 3.82Å; T65-L135 HydrophobicContact CG2-CD1 4.49Å
66L92.9Very high89.1Confident101 Ų10172.8 Ų72.853%0.52942%0.417SS..EExtended strand (participates in β ladder)trans-116.1130.9176.2-59.3-179.4000109V104 L105 N106L66-V104 HydrophobicContact CB-CG1 4.12Å; L66-L105 CarbonylContact C-O 3.53Å; L66-L105 WeakPolarHBondContact CA-O 3.38Å; L66-N106 HydrophobicContact CD2-CB 3.53Å
67I92.5Very high89.1Confident2 Ų277.4 Ų77.41%0.0143%0.432CS..EExtended strand (participates in β ladder)trans-125.2109.6-175.3-51.2-176.2000108.8I57 T65 W80 V104 L105 I107 I133I57-I67 HydrophobicContact CD1-CD1 3.82Å; I57-I67 HydrophobicContact CD1-CG1 3.78Å; T65-I67 HydrophobicContact CG2-CD1 4.36Å; T65-I67 HydrophobicContact CG2-CG1 4.26Å; I67-W80 HydrophobicContact CB-CH2 4.35Å; I67-W80 HydrophobicContact CG2-CH2 3.5Å; I67-W80 HydrophobicContact CG2-CZ2 4.1Å; I67-W80 HydrophobicContact CG2-CZ3 4.1Å; I67-W80 WeakPolarHBondContact O-CZ2 3.25Å; I67-V104 WeakPolarHBondContact O-CA 3.22Å; I67-L105 HydrophobicContact CB-CB 4.28Å; I67-L105 HydrophobicContact CD1-CD2 4.34Å; I67-L105 PolarHBondContact N-O 2.83Å; I67-L105 PolarHBondContact O-N 2.93Å; I67-I107 HydrophobicContact CD1-CD1 4.01Å; I67-I133 HydrophobicContact CG2-CD1 4.17Å; I67-I133 HydrophobicContact CG2-CG2 3.63Å
68E90.8Very high89.1Confident140 Ų14076.4 Ų76.465%0.65443%0.427SS*.  trans-82.6136.3-179.9-58.1-169.4159.600111.7N70 V104E68-N70 PolarHBondContact O-N 3.31Å; E68-N70 VanDerWaalsContact O-N 3.09Å; E68-V104 HydrophobicContact CG-CG1 4.16Å; E68-V104 HydrophobicContact CG-CG2 4.07Å
69C90.2Very high89.2Confident17 Ų1772.6 Ų72.612%0.11541%0.406CS..  trans-81.184.2175.9-1770000110.2V71 I78 W80 C120C69-V71 VanDerWaalsContact C-N 3.32Å; C69-V71 PolarHBondContact O-N 3.45Å; C69-I78 HydrophobicContact CB-CD1 4.32Å; C69-I78 HydrophobicContact CB-CG2 4.12Å; C69-W80 HydrophobicContact CB-CZ2 3.79Å; C69-C120 VanDerWaalsContact CA-SG 3.53Å; C69-C120 HydrophobicContact CB-CB 3.8Å; C69-C120 WeakPolarHBondContact CB-SG 3.31Å; C69-C120 WeakPolarHBondContact SG-CB 3.49Å; C69-C120 CovalentContact SG-SG 2.04Å; C69-C120 PolarHBondContact SG-SG 3.31Å
70N88.3Confident89.3Confident120 Ų12072 Ų7264%0.64240%0.403SS*.  trans-79.278.1-177.1-172.27.2000111.9E68 Y131E68-N70 PolarHBondContact O-N 3.31Å; E68-N70 VanDerWaalsContact O-N 3.09Å; N70-Y131 HydrophobicContact CB-CD2 3.96Å; N70-Y131 HydrophobicContact CB-CE2 3.73Å; N70-Y131 HydrophobicContact CB-CG 4.5Å; N70-Y131 WeakPolarHBondContact O-CD2 3.19Å
71V87.3Confident89.4Confident24 Ų2470.1 Ų70.115%0.14539%0.393CS..  trans-109.6152.1175-68.90000111.4C69 P75 A122C69-V71 VanDerWaalsContact C-N 3.32Å; C69-V71 PolarHBondContact O-N 3.45Å; V71-P75 HydrophobicContact CG2-CG 4.31Å; V71-A122 HydrophobicContact CB-CB 4.27Å; V71-A122 HydrophobicContact CG1-CB 4.03Å; V71-A122 HydrophobicContact CG2-CB 3.65Å
72T83.9Confident89.6Confident141 Ų14168.4 Ų68.487%0.86539%0.386SS*.SBendtrans-76.9131.4177.9-51.40000111.5
73G81.2Confident89.6Confident66 Ų6668.5 Ų68.568%0.6838%0.379SS*.SBendtrans103.2-162.1176.200000113.2
74K84.4Confident89.5Confident190 Ų19073.6 Ų73.683%0.82639%0.393SS*.  trans-121.899.5174.9-174.4-172.7176.3-168.10108.4
75P86.4Confident89.3Confident35 Ų3572.2 Ų72.223%0.22739%0.392CS..  trans-71.7150.5177.430.1-34.9000111.6V71 I78 A122V71-P75 HydrophobicContact CG2-CG 4.31Å; P75-I78 HydrophobicContact CB-CG1 4.11Å; P75-I78 HydrophobicContact CG-CD1 3.65Å; P75-I78 HydrophobicContact CG-CG1 3.66Å; P75-A122 HydrophobicContact CB-CB 3.84Å; P75-A122 HydrophobicContact CG-CB 4.08Å
76D88.6Confident89.1Confident118 Ų11875.7 Ų75.763%0.63141%0.406SS*.SBendtrans-85.1-27.7175-60.9-56.3000110.8S123 S124 S125D76-S123 PolarHBondContact N-O 3.29Å; D76-S124 VanDerWaalsContact OD2-CA 3.23Å; D76-S124 WeakPolarHBondContact OD2-CA 3.31Å; D76-S125 PolarHBondContact OD2-N 2.88Å
77Y88.4Confident89Confident139 Ų13973.1 Ų73.155%0.54539%0.394SS..EExtended strand (participates in β ladder)trans-146.7143.5178.3176.8-112000111.3Q79 A122 S123Y77-Q79 HydrophobicContact CE1-CB 3.72Å; Y77-Q79 HydrophobicContact CE1-CG 4.43Å; Y77-A122 CarbonylContact O-C 3.59Å; Y77-A122 WeakPolarHBondContact O-CA 3.38Å; Y77-S123 PolarHBondContact N-O 2.99Å; Y77-S123 VanDerWaalsContact N-O 3.15Å; Y77-S123 PolarHBondContact O-N 3.48Å
78I91.5Very high88.9Confident25 Ų2573.1 Ų73.113%0.12839%0.394CS..EExtended strand (participates in β ladder)trans-130.7128.2176.6-63.8167.7000108.9C69 P75 K102 C120 I121 A122C69-I78 HydrophobicContact CB-CD1 4.32Å; C69-I78 HydrophobicContact CB-CG2 4.12Å; P75-I78 HydrophobicContact CB-CG1 4.11Å; P75-I78 HydrophobicContact CG-CD1 3.65Å; P75-I78 HydrophobicContact CG-CG1 3.66Å; I78-K102 VanDerWaalsContact CD1-O 3.25Å; I78-K102 WeakPolarHBondContact CD1-O 3.49Å; I78-C120 HydrophobicContact CG2-CB 4.02Å; I78-I121 WeakPolarHBondContact CA-O 3.32Å; I78-A122 HydrophobicContact CG1-CB 4.01Å
79Q92Very high88.5Confident46 Ų4670 Ų7022%0.21538%0.382CS..EExtended strand (participates in β ladder)trans-122.6132.9177.2-169.9169.51.300110.1Y77 Y81 V87 C120 I121Y77-Q79 HydrophobicContact CE1-CB 3.72Å; Y77-Q79 HydrophobicContact CE1-CG 4.43Å; Q79-Y81 HydrophobicContact CB-CE2 4.16Å; Q79-Y81 VanDerWaalsContact CD-OH 3.31Å; Q79-Y81 HydrophobicContact CG-CE2 3.87Å; Q79-Y81 PolarHBondContact NE2-OH 3.32Å; Q79-Y81 PolarHBondContact OE1-OH 3.43Å; Q79-V87 HydrophobicContact CG-CG1 4.01Å; Q79-V87 VanDerWaalsContact NE2-CG2 3.3Å; Q79-C120 CarbonylContact O-C 3.57Å; Q79-C120 WeakPolarHBondContact O-CA 3.38Å; Q79-I121 PolarHBondContact N-O 3.33Å; Q79-I121 PolarHBondContact O-N 3.4Å
80W94Very high87.7Confident0 Ų071 Ų710%039%0.392CS..EExtended strand (participates in β ladder)trans-101.2145.7179.5-81.595.7000112I67 C69 V87 L88 I99 G103 L105 C120 I133I67-W80 HydrophobicContact CB-CH2 4.35Å; I67-W80 HydrophobicContact CG2-CH2 3.5Å; I67-W80 HydrophobicContact CG2-CZ2 4.1Å; I67-W80 HydrophobicContact CG2-CZ3 4.1Å; I67-W80 WeakPolarHBondContact O-CZ2 3.25Å; C69-W80 HydrophobicContact CB-CZ2 3.79Å; W80-V87 CarbonylContact O-C 3.59Å; W80-V87 WeakPolarHBondContact O-CA 3.36Å; W80-L88 HydrophobicContact CB-CB 4Å; W80-L88 HydrophobicContact CB-CD1 4.21Å; W80-L88 HydrophobicContact CB-CG 4.46Å; W80-L88 PolarHBondContact O-N 3.18Å; W80-I99 HydrophobicContact CB-CD1 4.32Å; W80-G103 PolarHBondContact NE1-O 2.96Å; W80-L105 HydrophobicContact CB-CD2 4.36Å; W80-L105 HydrophobicContact CD2-CB 3.81Å; W80-L105 HydrophobicContact CD2-CD2 3.87Å; W80-L105 HydrophobicContact CD2-CG 4.45Å; W80-L105 HydrophobicContact CE3-CD2 3.91Å; W80-L105 HydrophobicContact CG-CB 3.94Å; W80-L105 HydrophobicContact CG-CD2 4.1Å; W80-L105 HydrophobicContact CG-CG 4.48Å; W80-L105 HydrophobicContact CZ2-CB 4.12Å; W80-C120 HydrophobicContact CD2-CB 3.66Å; W80-C120 HydrophobicContact CE3-CB 3.82Å; W80-C120 HydrophobicContact CG-CB 4.27Å; W80-C120 HydrophobicContact CH2-CB 3.89Å; W80-C120 HydrophobicContact CZ2-CB 3.75Å; W80-C120 HydrophobicContact CZ3-CB 3.93Å; W80-I133 HydrophobicContact CZ3-CG2 4.46Å
81Y93.1Very high87Confident59 Ų5973.8 Ų73.823%0.23140%0.401CS..EExtended strand (participates in β ladder)trans-129.9141.2176.9-61.3-97.7000110.5Q79 H86 V87 Y118 T119 I121Q79-Y81 HydrophobicContact CB-CE2 4.16Å; Q79-Y81 VanDerWaalsContact CD-OH 3.31Å; Q79-Y81 HydrophobicContact CG-CE2 3.87Å; Q79-Y81 PolarHBondContact NE2-OH 3.32Å; Q79-Y81 PolarHBondContact OE1-OH 3.43Å; Y81-H86 VanDerWaalsContact CA-O 3.24Å; Y81-H86 WeakPolarHBondContact CA-O 3.45Å; Y81-V87 HydrophobicContact CD1-CG2 4.24Å; Y81-V87 HydrophobicContact CE1-CG2 3.75Å; Y81-Y118 WeakPolarHBondContact O-CA 3.33Å; Y81-T119 PolarHBondContact N-O 3.17Å; Y81-T119 PolarHBondContact O-N 2.96Å; Y81-I121 HydrophobicContact CD2-CD1 4.04Å; Y81-I121 HydrophobicContact CD2-CG1 3.99Å; Y81-I121 HydrophobicContact CE2-CB 4.05Å; Y81-I121 HydrophobicContact CE2-CD1 3.52Å; Y81-I121 HydrophobicContact CE2-CG1 3.7Å
82N92.7Very high86.1Confident21 Ų2178.4 Ų78.411%0.11242%0.421CS..  trans-88-178.6176.370.121.8000113.2K84 G85 H86 L88 R117 Y118N82-K84 PolarHBondContact O-N 2.85Å; N82-K84 VanDerWaalsContact O-N 3.15Å; N82-K84 WeakPolarHBondContact OD1-CA 3.42Å; N82-K84 WeakPolarHBondContact OD1-CB 3.47Å; N82-K84 PolarHBondContact OD1-N 3.39Å; N82-G85 PolarHBondContact O-N 2.84Å; N82-G85 PolarHBondContact OD1-N 3.39Å; N82-G85 VanDerWaalsContact OD1-N 3.16Å; N82-H86 PolarHBondContact N-O 3.47Å; N82-H86 PolarHBondContact OD1-N 3.05Å; N82-H86 VanDerWaalsContact OD1-N 3.09Å; N82-L88 HydrophobicContact CB-CD1 4.17Å; N82-L88 HydrophobicContact CB-CD2 3.84Å; N82-L88 HydrophobicContact CB-CG 4.2Å; N82-R117 CarbonylContact C-O 3.37Å; N82-Y118 HydrophobicContact CB-CE1 4.17Å
83S88.9Confident85.3Confident53 Ų5372.3 Ų72.337%0.37139%0.386SS..THydrogen-bonded Turntrans-62.6-18179.956.70000114.8R117S83-R117 VanDerWaalsContact CA-O 3.23Å; S83-R117 WeakPolarHBondContact CA-O 3.48Å; S83-R117 PolarHBondContact N-O 3.19Å; S83-R117 VanDerWaalsContact N-O 3.12Å
84K88.2Confident85.1Confident146 Ų14672.7 Ų72.764%0.63539%0.39SS*.THydrogen-bonded Turntrans-94.4-4176.4-54.6174.9-175.4173.20112.4N82 H86N82-K84 PolarHBondContact O-N 2.85Å; N82-K84 VanDerWaalsContact O-N 3.15Å; N82-K84 WeakPolarHBondContact OD1-CA 3.42Å; N82-K84 WeakPolarHBondContact OD1-CB 3.47Å; N82-K84 PolarHBondContact OD1-N 3.39Å; K84-H86 VanDerWaalsContact C-N 3.34Å
85G86.5Confident84.9Confident51 Ų5165.1 Ų65.153%0.52637%0.366SS..SBendtrans80.46.9-176.500000115N82N82-G85 PolarHBondContact O-N 2.84Å; N82-G85 PolarHBondContact OD1-N 3.39Å; N82-G85 VanDerWaalsContact OD1-N 3.16Å
86H90Very high84.9Confident95 Ų9566 Ų6644%0.4437%0.367SS..  trans-73.6147.8172.8-65.1-138.8000109.8Y81 N82 K84 E92Y81-H86 VanDerWaalsContact CA-O 3.24Å; Y81-H86 WeakPolarHBondContact CA-O 3.45Å; N82-H86 PolarHBondContact N-O 3.47Å; N82-H86 PolarHBondContact OD1-N 3.05Å; N82-H86 VanDerWaalsContact OD1-N 3.09Å; K84-H86 VanDerWaalsContact C-N 3.34Å; H86-E92 IonicContact ND1-OE1 2.65Å
87V91Very high85Confident47 Ų4762.1 Ų62.129%0.28534%0.343SS..EExtended strand (participates in β ladder)trans-64.9146.4168.3-177.60000108.9Q79 W80 Y81Q79-V87 HydrophobicContact CG-CG1 4.01Å; Q79-V87 VanDerWaalsContact NE2-CG2 3.3Å; W80-V87 CarbonylContact O-C 3.59Å; W80-V87 WeakPolarHBondContact O-CA 3.36Å; Y81-V87 HydrophobicContact CD1-CG2 4.24Å; Y81-V87 HydrophobicContact CE1-CG2 3.75Å
88L89.8Confident85.1Confident2 Ų258.7 Ų58.71%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-105.6112.6173.2-63.5-177.1000109.6W80 N82 W97 I99 L105 Y118W80-L88 HydrophobicContact CB-CB 4Å; W80-L88 HydrophobicContact CB-CD1 4.21Å; W80-L88 HydrophobicContact CB-CG 4.46Å; W80-L88 PolarHBondContact O-N 3.18Å; N82-L88 HydrophobicContact CB-CD1 4.17Å; N82-L88 HydrophobicContact CB-CD2 3.84Å; N82-L88 HydrophobicContact CB-CG 4.2Å; L88-W97 HydrophobicContact CB-CB 4.44Å; L88-W97 HydrophobicContact CD2-CD2 3.53Å; L88-W97 HydrophobicContact CD2-CE3 3.57Å; L88-W97 HydrophobicContact CD2-CG 4.05Å; L88-W97 HydrophobicContact CD2-CH2 4.11Å; L88-W97 HydrophobicContact CD2-CZ2 4.07Å; L88-W97 HydrophobicContact CD2-CZ3 3.87Å; L88-I99 WeakPolarHBondContact O-CD1 3.35Å; L88-L105 HydrophobicContact CD1-CD1 4.23Å; L88-L105 HydrophobicContact CD1-CD2 3.63Å; L88-Y118 HydrophobicContact CD1-CD1 3.51Å; L88-Y118 HydrophobicContact CD1-CE1 3.46Å; L88-Y118 VanDerWaalsContact CD1-CE1 3.46Å
89D82.3Confident84.9Confident74 Ų7460.9 Ų60.940%0.39635%0.345SS..  trans-133.9158.9177.118047.2000111.1E91 G93D89-E91 WeakPolarHBondContact OD2-CB 3.41Å; D89-E91 PolarHBondContact OD2-N 3.18Å; D89-E91 VanDerWaalsContact OD2-N 3.09Å; D89-G93 PolarHBondContact O-N 3.43Å
90A73.9Confident84.6Confident40 Ų4063 Ų6333%0.33136%0.355SS..THydrogen-bonded Turntrans-67.9-34.5179.600000112.9G94 G95 W97 L98A90-G94 PolarHBondContact O-N 3.26Å; A90-G95 PolarHBondContact O-N 2.91Å; A90-W97 WeakPolarHBondContact CA-O 3.31Å; A90-L98 HydrophobicContact CB-CD2 3.9Å
91E72.1Confident83.6Confident177 Ų17770 Ų7083%0.82739%0.393SS*.THydrogen-bonded Turntrans-77.5-52.6-179.5-58.8-164.116800111.3D89 G93 G94D89-E91 WeakPolarHBondContact OD2-CB 3.41Å; D89-E91 PolarHBondContact OD2-N 3.18Å; D89-E91 VanDerWaalsContact OD2-N 3.09Å; E91-G93 VanDerWaalsContact C-N 3.25Å; E91-G93 PolarHBondContact O-N 2.8Å; E91-G94 PolarHBondContact O-N 3.01Å
92E70.1Confident82.7Confident121 Ų12176.5 Ų76.557%0.56542%0.422SS*.THydrogen-bonded Turntrans-60.9-35.5176.6-170.5-178.1155.400111.7H86 G94H86-E92 IonicContact ND1-OE1 2.65Å; E92-G94 VanDerWaalsContact C-N 3.32Å; E92-G94 PolarHBondContact O-N 3.42Å
93G65.8Low82.3Confident13 Ų1375.9 Ų75.913%0.13442%0.42CS..THydrogen-bonded Turntrans-79.7-2179.700000116D89 E91 G95 K96 W97D89-G93 PolarHBondContact O-N 3.43Å; E91-G93 VanDerWaalsContact C-N 3.25Å; E91-G93 PolarHBondContact O-N 2.8Å; G93-G95 PolarHBondContact O-N 2.96Å; G93-K96 WeakPolarHBondContact O-CB 3.12Å; G93-K96 PolarHBondContact O-N 3.34Å; G93-W97 VanDerWaalsContact CA-CZ3 3.42Å
94G77.3Confident82.4Confident74 Ų7474.3 Ų74.376%0.76341%0.408SS*.THydrogen-bonded Turntrans55.633.6-17500000113.5A90 E91 E92 K96A90-G94 PolarHBondContact O-N 3.26Å; E91-G94 PolarHBondContact O-N 3.01Å; E92-G94 VanDerWaalsContact C-N 3.32Å; E92-G94 PolarHBondContact O-N 3.42Å; G94-K96 VanDerWaalsContact C-N 3.35Å; G94-K96 PolarHBondContact O-N 3.38Å
95G80.8Confident82.6Confident31 Ų3167.3 Ų67.332%0.3238%0.378SS..THydrogen-bonded Turntrans78.14.5-174.200000116.2A90 G93 T108A90-G95 PolarHBondContact O-N 2.91Å; G93-G95 PolarHBondContact O-N 2.96Å; G95-T108 PolarHBondContact O-OG1 2.94Å
96K87.1Confident82.9Confident54 Ų5466.2 Ų66.224%0.23536%0.36CS..SBendtrans-67.4-36.7174.4-168.1-179.7-172.8-171.30112.6G93 G94 I107 T108 T109 S111 D114G93-K96 WeakPolarHBondContact O-CB 3.12Å; G93-K96 PolarHBondContact O-N 3.34Å; G94-K96 VanDerWaalsContact C-N 3.35Å; G94-K96 PolarHBondContact O-N 3.38Å; K96-I107 WeakPolarHBondContact O-CA 3.41Å; K96-T108 WeakPolarHBondContact CA-OG1 3.5Å; K96-T108 PolarHBondContact O-N 3.11Å; K96-T108 PolarHBondContact O-OG1 3.38Å; K96-T109 WeakPolarHBondContact CE-O 3.23Å; K96-S111 PolarHBondContact NZ-OG 3.42Å; K96-D114 WeakPolarHBondContact CE-OD2 3.39Å; K96-D114 IonicContact NZ-OD1 3.35Å; K96-D114 PolarHBondContact NZ-OD1 3.44Å; K96-D114 IonicContact NZ-OD2 3.18Å; K96-D114 PolarHBondContact NZ-OD2 2.91Å
97W90.7Very high83Confident37 Ų3761.7 Ų61.714%0.1434%0.339CS..EExtended strand (participates in β ladder)trans-115.3127-179-50.2-54000108.9L88 A90 G93 L105 N106L88-W97 HydrophobicContact CB-CB 4.44Å; L88-W97 HydrophobicContact CD2-CD2 3.53Å; L88-W97 HydrophobicContact CD2-CE3 3.57Å; L88-W97 HydrophobicContact CD2-CG 4.05Å; L88-W97 HydrophobicContact CD2-CH2 4.11Å; L88-W97 HydrophobicContact CD2-CZ2 4.07Å; L88-W97 HydrophobicContact CD2-CZ3 3.87Å; A90-W97 WeakPolarHBondContact CA-O 3.31Å; G93-W97 VanDerWaalsContact CA-CZ3 3.42Å; W97-L105 HydrophobicContact CB-CD1 4.11Å; W97-N106 WeakPolarHBondContact CA-O 3.47Å
98L88.7Confident83Confident66 Ų6661.9 Ų61.935%0.34634%0.34SS..EExtended strand (participates in β ladder)trans-131.4117.2-179.9-61.2173000108.6A90 N106 T108A90-L98 HydrophobicContact CB-CD2 3.9Å; L98-N106 HydrophobicContact CB-CB 4.26Å; L98-N106 PolarHBondContact N-O 3.48Å; L98-N106 WeakPolarHBondContact O-CB 3.24Å; L98-N106 PolarHBondContact O-N 2.88Å; L98-T108 HydrophobicContact CD1-CG2 3.76Å; L98-T108 HydrophobicContact CG-CG2 4.3Å
99I88.5Confident83Confident71 Ų7165.5 Ų65.536%0.36436%0.363SS..EExtended strand (participates in β ladder)trans-86.3117.2174.4-59.7176.4000108W80 L88W80-I99 HydrophobicContact CB-CD1 4.32Å; L88-I99 WeakPolarHBondContact O-CD1 3.35Å
100Q84.4Confident83.4Confident90 Ų9062 Ų6242%0.42134%0.344SS..EExtended strand (participates in β ladder)trans-87.4170.6176.5-54.1-174.41600111.5G103 V104 N106Q100-G103 WeakPolarHBondContact O-CA 3.35Å; Q100-G103 PolarHBondContact O-N 3.49Å; Q100-V104 HydrophobicContact CB-CB 4.35Å; Q100-V104 PolarHBondContact N-O 2.9Å; Q100-V104 PolarHBondContact O-N 3.19Å; Q100-N106 HydrophobicContact CG-CB 4.47Å
101D74.1Confident84.2Confident149 Ų14961.8 Ų61.880%0.79734%0.34SS*.G310 helixtrans-45.7141.3171.2-68-50.5000112.2G103D101-G103 PolarHBondContact O-N 3.37Å
102K75Confident85Confident195 Ų19557.6 Ų57.685%0.84832%0.319SS*.G310 helixtrans65.611.9-172.2-44167.5-172.4167.70114.7I78I78-K102 VanDerWaalsContact CD1-O 3.25Å; I78-K102 WeakPolarHBondContact CD1-O 3.49Å
103G84.2Confident85.8Confident7 Ų759 Ų597%0.07233%0.326CS..G310 helixtrans77.73117200000114.5W80 Q100 D101W80-G103 PolarHBondContact NE1-O 2.96Å; Q100-G103 WeakPolarHBondContact O-CA 3.35Å; Q100-G103 PolarHBondContact O-N 3.49Å; D101-G103 PolarHBondContact O-N 3.37Å
104V90.1Very high87Confident20 Ų2058.9 Ų58.912%0.12132%0.322CS..EExtended strand (participates in β ladder)trans-79.7120.1172.8-1760000109.1L66 I67 E68 Q100 N106L66-V104 HydrophobicContact CB-CG1 4.12Å; I67-V104 WeakPolarHBondContact O-CA 3.22Å; E68-V104 HydrophobicContact CG-CG1 4.16Å; E68-V104 HydrophobicContact CG-CG2 4.07Å; Q100-V104 HydrophobicContact CB-CB 4.35Å; Q100-V104 PolarHBondContact N-O 2.9Å; Q100-V104 PolarHBondContact O-N 3.19Å; V104-N106 PolarHBondContact O-N 3.39Å
105L92.1Very high87.7Confident0 Ų062 Ų620%031%0.311CS..EExtended strand (participates in β ladder)trans-81.2115.6175.8169.564.7000109.9L66 I67 W80 L88 W97 I107 Y118L66-L105 CarbonylContact C-O 3.53Å; L66-L105 WeakPolarHBondContact CA-O 3.38Å; I67-L105 HydrophobicContact CB-CB 4.28Å; I67-L105 HydrophobicContact CD1-CD2 4.34Å; I67-L105 PolarHBondContact N-O 2.83Å; I67-L105 PolarHBondContact O-N 2.93Å; W80-L105 HydrophobicContact CB-CD2 4.36Å; W80-L105 HydrophobicContact CD2-CB 3.81Å; W80-L105 HydrophobicContact CD2-CD2 3.87Å; W80-L105 HydrophobicContact CD2-CG 4.45Å; W80-L105 HydrophobicContact CE3-CD2 3.91Å; W80-L105 HydrophobicContact CG-CB 3.94Å; W80-L105 HydrophobicContact CG-CD2 4.1Å; W80-L105 HydrophobicContact CG-CG 4.48Å; W80-L105 HydrophobicContact CZ2-CB 4.12Å; L88-L105 HydrophobicContact CD1-CD1 4.23Å; L88-L105 HydrophobicContact CD1-CD2 3.63Å; W97-L105 HydrophobicContact CB-CD1 4.11Å; L105-I107 HydrophobicContact CD2-CG1 4.43Å; L105-I107 HydrophobicContact CG-CG1 4.18Å; L105-Y118 HydrophobicContact CD2-CD1 3.59Å; L105-Y118 HydrophobicContact CD2-CE1 4.07Å; L105-Y118 HydrophobicContact CD2-CG 4.5Å
106N92.3Very high88.3Confident28 Ų2861.5 Ų61.515%0.1531%0.306CS..EExtended strand (participates in β ladder)trans-94.6126.2168.5179.418.8000109.6T65 L66 W97 L98 Q100 V104T65-N106 WeakPolarHBondContact O-CA 3.36Å; T65-N106 PolarHBondContact O-OD1 2.98Å; L66-N106 HydrophobicContact CD2-CB 3.53Å; W97-N106 WeakPolarHBondContact CA-O 3.47Å; L98-N106 HydrophobicContact CB-CB 4.26Å; L98-N106 PolarHBondContact N-O 3.48Å; L98-N106 WeakPolarHBondContact O-CB 3.24Å; L98-N106 PolarHBondContact O-N 2.88Å; Q100-N106 HydrophobicContact CG-CB 4.47Å; V104-N106 PolarHBondContact O-N 3.39Å
107I92.8Very high88.7Confident0 Ų065.8 Ų65.80%032%0.32CS..EExtended strand (participates in β ladder)trans-107112.4169.3-48.9178.6000106.4S64 T65 I67 K96 L105 V110 Y118 L135S64-I107 CarbonylContact C-O 3.58Å; S64-I107 VanDerWaalsContact CA-O 3.22Å; S64-I107 WeakPolarHBondContact CA-O 3.26Å; S64-I107 WeakPolarHBondContact CB-O 3.25Å; T65-I107 HydrophobicContact CG2-CB 4.05Å; T65-I107 HydrophobicContact CG2-CD1 4.14Å; T65-I107 HydrophobicContact CG2-CG1 4.22Å; T65-I107 PolarHBondContact N-O 3.49Å; T65-I107 PolarHBondContact O-N 3.49Å; I67-I107 HydrophobicContact CD1-CD1 4.01Å; K96-I107 WeakPolarHBondContact O-CA 3.41Å; L105-I107 HydrophobicContact CD2-CG1 4.43Å; L105-I107 HydrophobicContact CG-CG1 4.18Å; I107-V110 HydrophobicContact CB-CG2 4.07Å; I107-V110 HydrophobicContact CG2-CG2 3.83Å; I107-Y118 HydrophobicContact CD1-CE1 3.91Å; I107-L135 HydrophobicContact CD1-CD2 3.81Å
108T90.9Very high88.8Confident50 Ų5064.1 Ų64.131%0.30731%0.314SS..SBendtrans-72.2-36.5-167.652.20000113.1S64 G95 K96 L98S64-T108 VanDerWaalsContact CB-O 3.29Å; S64-T108 WeakPolarHBondContact CB-O 3.23Å; G95-T108 PolarHBondContact O-OG1 2.94Å; K96-T108 WeakPolarHBondContact CA-OG1 3.5Å; K96-T108 PolarHBondContact O-N 3.11Å; K96-T108 PolarHBondContact O-OG1 3.38Å; L98-T108 HydrophobicContact CD1-CG2 3.76Å; L98-T108 HydrophobicContact CG-CG2 4.3Å
109T90Very high89Confident78 Ų7862.1 Ų62.148%0.47931%0.305SS..SBendtrans-141108.8173.4-53.80000109.1K96K96-T109 WeakPolarHBondContact CE-O 3.23Å
110V91.6Very high89.3Confident0 Ų058.8 Ų58.80%029%0.287CS..  trans-79.1122177.9175.20000110.4V59 G62 A63 T65 I107 D114 L135 V137V59-V110 HydrophobicContact CG1-CB 4.22Å; V59-V110 HydrophobicContact CG1-CG1 4.48Å; V59-V110 HydrophobicContact CG1-CG2 3.98Å; G62-V110 PolarHBondContact N-O 3.35Å; A63-V110 WeakPolarHBondContact O-CB 3.27Å; A63-V110 PolarHBondContact O-N 3.34Å; T65-V110 HydrophobicContact CG2-CG2 3.82Å; I107-V110 HydrophobicContact CB-CG2 4.07Å; I107-V110 HydrophobicContact CG2-CG2 3.83Å; V110-D114 WeakPolarHBondContact CA-OD2 3.46Å; V110-D114 HydrophobicContact CG1-CB 4.4Å; V110-L135 HydrophobicContact CG1-CD2 4.22Å; V110-V137 HydrophobicContact CG1-CB 4.42Å; V110-V137 HydrophobicContact CG1-CG1 4.07Å; V110-V137 HydrophobicContact CG1-CG2 3.53Å
111S89.8Confident89.6Confident37 Ų3757.1 Ų57.126%0.25928%0.281SS..  trans-105.3161.1169.566.10000111.2K96 E113 D114K96-S111 PolarHBondContact NZ-OG 3.42Å; S111-E113 PolarHBondContact O-N 3.37Å; S111-D114 PolarHBondContact N-OD2 2.9Å; S111-D114 WeakPolarHBondContact O-CB 3.29Å; S111-D114 PolarHBondContact O-N 2.87Å; S111-D114 PolarHBondContact OG-OD2 3.05Å
112F87.9Confident90.5Very high88 Ų8850.2 Ų50.239%0.38624%0.244SC..G310 helixtrans-54.6-24177-173.1-105.1000114.4E61 R115E61-F112 WeakPolarHBondContact OE1-CB 3.27Å; E61-F112 PolarHBondContact OE1-N 3.31Å; F112-R115 VanDerWaalsContact CZ-CZ 3.4Å; F112-R115 VanDerWaalsContact CZ-NH1 3.32Å; F112-R115 WeakPolarHBondContact O-CD 3.44Å; F112-R115 WeakPolarHBondContact O-CG 3.45Å; F112-R115 PolarHBondContact O-NE 2.89Å
113E88.8Confident91.3Very high151 Ų15142.8 Ų42.871%0.70622%0.217SC*.G310 helixtrans-73.9-21.8175.9-61.8-164.5166.900114.4S111 R115S111-E113 PolarHBondContact O-N 3.37Å; E113-R115 PolarHBondContact O-N 2.85Å
114D90.1Very high91.6Very high10 Ų1044.5 Ų44.55%0.05323%0.228CC..G310 helixtrans-71.6-13.7177.5-65.5-50000112.4K96 V110 S111 G116 Y118 L135K96-D114 WeakPolarHBondContact CE-OD2 3.39Å; K96-D114 IonicContact NZ-OD1 3.35Å; K96-D114 PolarHBondContact NZ-OD1 3.44Å; K96-D114 IonicContact NZ-OD2 3.18Å; K96-D114 PolarHBondContact NZ-OD2 2.91Å; V110-D114 WeakPolarHBondContact CA-OD2 3.46Å; V110-D114 HydrophobicContact CG1-CB 4.4Å; S111-D114 PolarHBondContact N-OD2 2.9Å; S111-D114 WeakPolarHBondContact O-CB 3.29Å; S111-D114 PolarHBondContact O-N 2.87Å; S111-D114 PolarHBondContact OG-OD2 3.05Å; D114-G116 PolarHBondContact O-N 3.31Å; D114-Y118 WeakPolarHBondContact CB-OH 3.39Å; D114-Y118 WeakPolarHBondContact O-CE2 3.35Å; D114-Y118 PolarHBondContact O-OH 3.38Å; D114-Y118 VanDerWaalsContact O-OH 3.07Å; D114-L135 HydrophobicContact CB-CD2 3.99Å
115R92.3Very high91.5Very high141 Ų14149.4 Ų49.453%0.53226%0.263SS..  trans-56.2136.9-17772-168.5172.51373.3112.2F112 E113 L135 V137F112-R115 VanDerWaalsContact CZ-CZ 3.4Å; F112-R115 VanDerWaalsContact CZ-NH1 3.32Å; F112-R115 WeakPolarHBondContact O-CD 3.44Å; F112-R115 WeakPolarHBondContact O-CG 3.45Å; F112-R115 PolarHBondContact O-NE 2.89Å; E113-R115 PolarHBondContact O-N 2.85Å; R115-L135 WeakPolarHBondContact CA-O 3.46Å; R115-V137 HydrophobicContact CB-CG2 3.98Å
116G93.2Very high91.2Very high20 Ų2054 Ų5421%0.20630%0.301CS..EExtended strand (participates in β ladder)trans138.9-164.7175.700000114D114 T134 L135D114-G116 PolarHBondContact O-N 3.31Å; G116-T134 CarbonylContact O-C 3.59Å; G116-T134 WeakPolarHBondContact O-CA 3.28Å; G116-L135 PolarHBondContact N-O 3.2Å; G116-L135 PolarHBondContact O-N 3.21Å
117R94.3Very high91Very high143 Ų14354.4 Ų54.454%0.5431%0.312SS..EExtended strand (participates in β ladder)trans-85118-176-75.1167.153.3-105-5.9111.5N82 S83 T132 I133N82-R117 CarbonylContact C-O 3.37Å; S83-R117 VanDerWaalsContact CA-O 3.23Å; S83-R117 WeakPolarHBondContact CA-O 3.48Å; S83-R117 PolarHBondContact N-O 3.19Å; S83-R117 VanDerWaalsContact N-O 3.12Å; R117-T132 HydrophobicContact CB-CG2 4.03Å; R117-T132 HydrophobicContact CG-CG2 4.16Å; R117-I133 CarbonylContact C-O 3.54Å; R117-I133 WeakPolarHBondContact CA-O 3.5Å
118Y93.9Very high90.9Very high3 Ų358.8 Ų58.81%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-96.3138.3166.7-72.2-103.8000108.8Y81 N82 L88 L105 I107 D114 T132 I133 L135Y81-Y118 WeakPolarHBondContact O-CA 3.33Å; N82-Y118 HydrophobicContact CB-CE1 4.17Å; L88-Y118 HydrophobicContact CD1-CD1 3.51Å; L88-Y118 HydrophobicContact CD1-CE1 3.46Å; L88-Y118 VanDerWaalsContact CD1-CE1 3.46Å; L105-Y118 HydrophobicContact CD2-CD1 3.59Å; L105-Y118 HydrophobicContact CD2-CE1 4.07Å; L105-Y118 HydrophobicContact CD2-CG 4.5Å; I107-Y118 HydrophobicContact CD1-CE1 3.91Å; D114-Y118 WeakPolarHBondContact CB-OH 3.39Å; D114-Y118 WeakPolarHBondContact O-CE2 3.35Å; D114-Y118 PolarHBondContact O-OH 3.38Å; D114-Y118 VanDerWaalsContact O-OH 3.07Å; Y118-T132 CarbonylContact O-C 3.58Å; Y118-T132 VanDerWaalsContact O-CA 3.31Å; Y118-T132 WeakPolarHBondContact O-CA 3.36Å; Y118-I133 PolarHBondContact N-O 3.42Å; Y118-I133 PolarHBondContact O-N 3.49Å; Y118-L135 HydrophobicContact CD2-CB 3.84Å; Y118-L135 HydrophobicContact CD2-CD2 4.49Å; Y118-L135 HydrophobicContact CE2-CB 3.71Å; Y118-L135 HydrophobicContact CE2-CD2 3.7Å; Y118-L135 HydrophobicContact CE2-CG 4.35Å
119T93.4Very high90.8Very high24 Ų2459 Ų5915%0.14734%0.342CS..EExtended strand (participates in β ladder)trans-130.6125.4177.8-57.70000109.7Y81 N130 Y131 T132Y81-T119 PolarHBondContact N-O 3.17Å; Y81-T119 PolarHBondContact O-N 2.96Å; T119-N130 HydrophobicContact CG2-CB 4.35Å; T119-Y131 CarbonylContact C-O 3.6Å; T119-Y131 WeakPolarHBondContact CA-O 3.38Å; T119-T132 WeakPolarHBondContact CG2-OG1 3.23Å; T119-T132 WeakPolarHBondContact OG1-CG2 3.3Å; T119-T132 PolarHBondContact OG1-OG1 3.05Å
120C93Very high90.9Very high0 Ų060.8 Ų60.80%035%0.349CS..EExtended strand (participates in β ladder)trans-89.3141.2162.466.60000110C69 I78 Q79 W80 N130 Y131C69-C120 VanDerWaalsContact CA-SG 3.53Å; C69-C120 HydrophobicContact CB-CB 3.8Å; C69-C120 WeakPolarHBondContact CB-SG 3.31Å; C69-C120 WeakPolarHBondContact SG-CB 3.49Å; C69-C120 CovalentContact SG-SG 2.04Å; C69-C120 PolarHBondContact SG-SG 3.31Å; I78-C120 HydrophobicContact CG2-CB 4.02Å; Q79-C120 CarbonylContact O-C 3.57Å; Q79-C120 WeakPolarHBondContact O-CA 3.38Å; W80-C120 HydrophobicContact CD2-CB 3.66Å; W80-C120 HydrophobicContact CE3-CB 3.82Å; W80-C120 HydrophobicContact CG-CB 4.27Å; W80-C120 HydrophobicContact CH2-CB 3.89Å; W80-C120 HydrophobicContact CZ2-CB 3.75Å; W80-C120 HydrophobicContact CZ3-CB 3.93Å; C120-N130 VanDerWaalsContact O-CA 3.28Å; C120-N130 WeakPolarHBondContact O-CA 3.23Å; C120-Y131 PolarHBondContact N-O 3.34Å; C120-Y131 PolarHBondContact O-N 2.94Å
121I92.6Very high90.9Very high56 Ų5662.3 Ų62.329%0.28736%0.355SS..EExtended strand (participates in β ladder)trans-111.2123.2166-59.3-173.4000106.2I78 Q79 Y81 T128I78-I121 WeakPolarHBondContact CA-O 3.32Å; Q79-I121 PolarHBondContact N-O 3.33Å; Q79-I121 PolarHBondContact O-N 3.4Å; Y81-I121 HydrophobicContact CD2-CD1 4.04Å; Y81-I121 HydrophobicContact CD2-CG1 3.99Å; Y81-I121 HydrophobicContact CE2-CB 4.05Å; Y81-I121 HydrophobicContact CE2-CD1 3.52Å; Y81-I121 HydrophobicContact CE2-CG1 3.7Å; I121-T128 HydrophobicContact CG2-CG2 3.32Å
122A92.8Very high91Very high3 Ų362 Ų623%0.02535%0.351CS..EExtended strand (participates in β ladder)trans-119.1113.3-173.900000108.9V71 P75 Y77 I78 T128 S129V71-A122 HydrophobicContact CB-CB 4.27Å; V71-A122 HydrophobicContact CG1-CB 4.03Å; V71-A122 HydrophobicContact CG2-CB 3.65Å; P75-A122 HydrophobicContact CB-CB 3.84Å; P75-A122 HydrophobicContact CG-CB 4.08Å; Y77-A122 CarbonylContact O-C 3.59Å; Y77-A122 WeakPolarHBondContact O-CA 3.38Å; I78-A122 HydrophobicContact CG1-CB 4.01Å; A122-T128 CarbonylContact O-C 3.6Å; A122-T128 WeakPolarHBondContact O-CA 3.31Å; A122-S129 PolarHBondContact N-O 3.2Å; A122-S129 PolarHBondContact O-N 3.1Å
123S91.4Very high91.3Very high40 Ų4058.3 Ų58.328%0.2834%0.336SS..EExtended strand (participates in β ladder)trans-105.5141.5-175-71.20000111D76 Y77 T128D76-S123 PolarHBondContact N-O 3.29Å; Y77-S123 PolarHBondContact N-O 2.99Å; Y77-S123 VanDerWaalsContact N-O 3.15Å; Y77-S123 PolarHBondContact O-N 3.48Å; S123-T128 PolarHBondContact OG-OG1 3.4Å
124S90.1Very high91.5Very high42 Ų4253.2 Ų53.229%0.29432%0.315SS..EExtended strand (participates in β ladder)trans-141.1163.7178.171.30000110.6D76 A126 G127D76-S124 VanDerWaalsContact OD2-CA 3.23Å; D76-S124 WeakPolarHBondContact OD2-CA 3.31Å; S124-A126 PolarHBondContact O-N 2.87Å; S124-A126 PolarHBondContact OG-N 3.16Å; S124-G127 PolarHBondContact N-O 3.34Å; S124-G127 PolarHBondContact O-N 2.99Å; S124-G127 PolarHBondContact OG-N 2.97Å; S124-G127 PolarHBondContact OG-O 3.34Å
125S89.1Confident91.7Very high123 Ų12352.9 Ų52.986%0.8631%0.313SS*.THydrogen-bonded Turntrans-52-22.516851.10000115.1D76D76-S125 PolarHBondContact OD2-N 2.88Å
126A85.4Confident91.7Very high98 Ų9852.2 Ų52.281%0.8131%0.311SS*.THydrogen-bonded Turntrans-92.1-4.3176.600000114.3S124S124-A126 PolarHBondContact O-N 2.87Å; S124-A126 PolarHBondContact OG-N 3.16Å
127G87.7Confident91.6Very high36 Ų3652.2 Ų52.237%0.37131%0.307SS..EExtended strand (participates in β ladder)trans127.4-172.1-176.200000113.5S124S124-G127 PolarHBondContact N-O 3.34Å; S124-G127 PolarHBondContact O-N 2.99Å; S124-G127 PolarHBondContact OG-N 2.97Å; S124-G127 PolarHBondContact OG-O 3.34Å
128T90.3Very high91.2Very high91 Ų9146.9 Ų46.956%0.55829%0.293SS*.EExtended strand (participates in β ladder)trans-115.1135.6-174-60.40000111.4I121 A122 S123I121-T128 HydrophobicContact CG2-CG2 3.32Å; A122-T128 CarbonylContact O-C 3.6Å; A122-T128 WeakPolarHBondContact O-CA 3.31Å; S123-T128 PolarHBondContact OG-OG1 3.4Å
129S90Very high90.4Very high55 Ų5552.3 Ų52.339%0.38531%0.314SS..EExtended strand (participates in β ladder)trans-119.2158.9172.9-69.80000110.7A122A122-S129 PolarHBondContact N-O 3.2Å; A122-S129 PolarHBondContact O-N 3.1Å
130N90.9Very high89.2Confident116 Ų11653.8 Ų53.862%0.6232%0.323SS*.EExtended strand (participates in β ladder)trans-133.5152.3176.363.7-11000112.6T119 C120T119-N130 HydrophobicContact CG2-CB 4.35Å; C120-N130 VanDerWaalsContact O-CA 3.28Å; C120-N130 WeakPolarHBondContact O-CA 3.23Å
131Y91.5Very high87.8Confident31 Ų3158.7 Ų58.712%0.12235%0.346CS..EExtended strand (participates in β ladder)trans-138.9125.6173.5168.9-86.4000109.3R55 N70 T119 C120 I133R55-Y131 HydrophobicContact CG-CE2 4.35Å; N70-Y131 HydrophobicContact CB-CD2 3.96Å; N70-Y131 HydrophobicContact CB-CE2 3.73Å; N70-Y131 HydrophobicContact CB-CG 4.5Å; N70-Y131 WeakPolarHBondContact O-CD2 3.19Å; T119-Y131 CarbonylContact C-O 3.6Å; T119-Y131 WeakPolarHBondContact CA-O 3.38Å; C120-Y131 PolarHBondContact N-O 3.34Å; C120-Y131 PolarHBondContact O-N 2.94Å; Y131-I133 HydrophobicContact CE1-CB 3.84Å; Y131-I133 HydrophobicContact CE1-CD1 4.37Å; Y131-I133 HydrophobicContact CE1-CG2 4.27Å
132T92.4Very high86.5Confident30 Ų3061.7 Ų61.718%0.18437%0.372CS..EExtended strand (participates in β ladder)trans-115.2131.5-179.4-58.50000110.8R55 R117 Y118 T119R55-T132 WeakPolarHBondContact CD-O 3.12Å; R55-T132 PolarHBondContact NE-O 3.32Å; R117-T132 HydrophobicContact CB-CG2 4.03Å; R117-T132 HydrophobicContact CG-CG2 4.16Å; Y118-T132 CarbonylContact O-C 3.58Å; Y118-T132 VanDerWaalsContact O-CA 3.31Å; Y118-T132 WeakPolarHBondContact O-CA 3.36Å; T119-T132 WeakPolarHBondContact CG2-OG1 3.23Å; T119-T132 WeakPolarHBondContact OG1-CG2 3.3Å; T119-T132 PolarHBondContact OG1-OG1 3.05Å
133I93.6Very high85.1Confident12 Ų1262.9 Ų62.96%0.06238%0.384CS..EExtended strand (participates in β ladder)trans-130.7151.1178.8-165.4174.9000110.2R55 I57 I67 W80 R117 Y118 Y131R55-I133 HydrophobicContact CB-CG1 4.35Å; R55-I133 CarbonylContact O-C 3.5Å; R55-I133 WeakPolarHBondContact O-CA 3.33Å; R55-I133 WeakPolarHBondContact O-CG1 3.5Å; I57-I133 HydrophobicContact CD1-CD1 4.27Å; I57-I133 HydrophobicContact CG1-CD1 4.24Å; I57-I133 HydrophobicContact CG2-CD1 3.88Å; I67-I133 HydrophobicContact CG2-CD1 4.17Å; I67-I133 HydrophobicContact CG2-CG2 3.63Å; W80-I133 HydrophobicContact CZ3-CG2 4.46Å; R117-I133 CarbonylContact C-O 3.54Å; R117-I133 WeakPolarHBondContact CA-O 3.5Å; Y118-I133 PolarHBondContact N-O 3.42Å; Y118-I133 PolarHBondContact O-N 3.49Å; Y131-I133 HydrophobicContact CE1-CB 3.84Å; Y131-I133 HydrophobicContact CE1-CD1 4.37Å; Y131-I133 HydrophobicContact CE1-CG2 4.27Å
134T94.2Very high84.2Confident44 Ų4463.2 Ų63.227%0.2738%0.383SS..EExtended strand (participates in β ladder)trans-107.8111.8-179.2-51.80000110.7R55 D56 I57 G116 R136R55-T134 PolarHBondContact O-N 3.23Å; D56-T134 VanDerWaalsContact CA-O 3.23Å; D56-T134 WeakPolarHBondContact CA-O 3.29Å; D56-T134 WeakPolarHBondContact CB-O 3.44Å; I57-T134 PolarHBondContact N-O 2.99Å; G116-T134 CarbonylContact O-C 3.59Å; G116-T134 WeakPolarHBondContact O-CA 3.28Å; T134-R136 PolarHBondContact O-N 3.34Å
135L93.8Very high83.3Confident2 Ų263.6 Ų63.61%0.0139%0.394CS..EExtended strand (participates in β ladder)trans-76.2115.9169.6179.259.2000109.5I57 V59 T65 I107 V110 D114 R115 G116 Y118 V137I57-L135 HydrophobicContact CD1-CD1 4Å; I57-L135 HydrophobicContact CG1-CD1 4.02Å; V59-L135 HydrophobicContact CB-CD1 4.04Å; V59-L135 HydrophobicContact CG2-CD1 3.55Å; T65-L135 HydrophobicContact CG2-CD1 4.49Å; I107-L135 HydrophobicContact CD1-CD2 3.81Å; V110-L135 HydrophobicContact CG1-CD2 4.22Å; D114-L135 HydrophobicContact CB-CD2 3.99Å; R115-L135 WeakPolarHBondContact CA-O 3.46Å; G116-L135 PolarHBondContact N-O 3.2Å; G116-L135 PolarHBondContact O-N 3.21Å; Y118-L135 HydrophobicContact CD2-CB 3.84Å; Y118-L135 HydrophobicContact CD2-CD2 4.49Å; Y118-L135 HydrophobicContact CE2-CB 3.71Å; Y118-L135 HydrophobicContact CE2-CD2 3.7Å; Y118-L135 HydrophobicContact CE2-CG 4.35Å; L135-V137 HydrophobicContact CG-CG2 4.43Å
136R92.1Very high82.8Confident128 Ų12862.7 Ų62.748%0.48338%0.379SS..EExtended strand (participates in β ladder)trans-100136.9165.4-56.2-174.1-169.1-94.33108.7D56 I57 I58 V59 T134D56-R136 IonicContact OD2-CZ 2.71Å; D56-R136 IonicContact OD2-NE 2.86Å; D56-R136 PolarHBondContact OD2-NE 3.22Å; D56-R136 IonicContact OD2-NH2 3.58Å; D56-R136 PolarHBondContact OD2-NH2 3.45Å; I57-R136 WeakPolarHBondContact O-CB 3.47Å; I57-R136 PolarHBondContact O-N 3.13Å; I58-R136 WeakPolarHBondContact CA-O 3.2Å; I58-R136 HydrophobicContact CG1-CB 4.1Å; V59-R136 PolarHBondContact N-O 3.28Å; T134-R136 PolarHBondContact O-N 3.34Å
137V91.4Very high82.7Confident20 Ų2064.5 Ų64.512%0.12137%0.365CS..EExtended strand (participates in β ladder)trans-104.1114.5177.2-174.50000108.7V59 E61 V110 R115 L135 Y139V59-V137 CarbonylContact O-C 3.36Å; V59-V137 WeakPolarHBondContact O-CA 3.36Å; E61-V137 HydrophobicContact CB-CG1 3.83Å; E61-V137 HydrophobicContact CG-CG1 4.46Å; V110-V137 HydrophobicContact CG1-CB 4.42Å; V110-V137 HydrophobicContact CG1-CG1 4.07Å; V110-V137 HydrophobicContact CG1-CG2 3.53Å; R115-V137 HydrophobicContact CB-CG2 3.98Å; L135-V137 HydrophobicContact CG-CG2 4.43Å; V137-Y139 PolarHBondContact O-N 3.39Å
138A85.4Confident82.4Confident31 Ų3169.2 Ų69.226%0.25637%0.373SS..EExtended strand (participates in β ladder)trans-77.6115.3171.100000108.9I58 V59 K60 E61 V140I58-A138 HydrophobicContact CG2-CB 3.69Å; V59-A138 PolarHBondContact O-N 3.05Å; K60-A138 CarbonylContact C-O 3.54Å; K60-A138 WeakPolarHBondContact CA-O 3.4Å; K60-A138 HydrophobicContact CG-CB 4.28Å; E61-A138 PolarHBondContact N-O 3.03Å; A138-V140 PolarHBondContact O-N 3.49Å
139Y76.9Confident82Confident116 Ų11667 Ų6746%0.45536%0.359SS..  trans-76.5108.8-172.8-174.9-104.5000111.2E61 V137 H141 L144E61-Y139 WeakPolarHBondContact OE2-CD2 3.3Å; E61-Y139 VanDerWaalsContact OE2-CE2 3.28Å; E61-Y139 WeakPolarHBondContact OE2-CE2 3.03Å; V137-Y139 PolarHBondContact O-N 3.39Å; Y139-H141 HydrophobicContact CD1-CB 4.06Å; Y139-H141 HydrophobicContact CE1-CB 3.26Å; Y139-H141 HydrophobicContact CE2-CB 4.2Å; Y139-H141 WeakPolarHBondContact OH-CB 3.45Å; Y139-L144 HydrophobicContact CE1-CB 4.09Å; Y139-L144 HydrophobicContact CE1-CD1 3.48Å; Y139-L144 VanDerWaalsContact CE1-CD1 3.48Å; Y139-L144 HydrophobicContact CE1-CG 3.72Å
140V68.9Low81.8Confident56 Ų5668.3 Ų68.334%0.33936%0.361SS..  trans-10949-179.6-71.80000112.3K60 E61 A138 S142K60-V140 HydrophobicContact CB-CG1 4.01Å; K60-V140 HydrophobicContact CB-CG2 3.96Å; K60-V140 HydrophobicContact CD-CG1 3.79Å; K60-V140 HydrophobicContact CG-CG1 3.72Å; E61-V140 HydrophobicContact CB-CG2 4.14Å; E61-V140 WeakPolarHBondContact O-CG2 3.47Å; A138-V140 PolarHBondContact O-N 3.49Å; V140-S142 VanDerWaalsContact C-N 3.31Å; V140-S142 PolarHBondContact O-N 3.4Å
141H64Low81.6Confident103 Ų10365.7 Ų65.748%0.47735%0.349SS..  trans-73.893.2161.1-158.974000108.8Y139 G143 L144Y139-H141 HydrophobicContact CD1-CB 4.06Å; Y139-H141 HydrophobicContact CE1-CB 3.26Å; Y139-H141 HydrophobicContact CE2-CB 4.2Å; Y139-H141 WeakPolarHBondContact OH-CB 3.45Å; H141-G143 PolarHBondContact O-N 2.74Å; H141-L144 HydrophobicContact CB-CB 4.28Å; H141-L144 HydrophobicContact CB-CG 4.18Å; H141-L144 PolarHBondContact CD2-N 3.21Å; H141-L144 VanDerWaalsContact CD2-N 3.34Å; H141-L144 PolarHBondContact O-N 3.45Å
142S64.1Low81.3Confident119 Ų11967 Ų6783%0.83236%0.362SS*.THydrogen-bonded Turntrans-53.8-8.9175.6-46.30000114V140V140-S142 VanDerWaalsContact C-N 3.31Å; V140-S142 PolarHBondContact O-N 3.4Å
143G64.1Low80.9Confident27 Ų2770.6 Ų70.628%0.27838%0.38SS..THydrogen-bonded Turntrans-102.4-14.2173.500000116.9H141 L146 Y147H141-G143 PolarHBondContact O-N 2.74Å; G143-L146 PolarHBondContact O-N 2.83Å; G143-Y147 WeakPolarHBondContact O-CB 3.31Å; G143-Y147 PolarHBondContact O-N 2.9Å
144L71.6Confident80.8Confident47 Ų4774.3 Ų74.325%0.24640%0.399CS..Hα-helixtrans-75.1-43.7-171.3-95.4-147.5000112.1Y139 H141 L146 Y147 Y148Y139-L144 HydrophobicContact CE1-CB 4.09Å; Y139-L144 HydrophobicContact CE1-CD1 3.48Å; Y139-L144 VanDerWaalsContact CE1-CD1 3.48Å; Y139-L144 HydrophobicContact CE1-CG 3.72Å; H141-L144 HydrophobicContact CB-CB 4.28Å; H141-L144 HydrophobicContact CB-CG 4.18Å; H141-L144 PolarHBondContact CD2-N 3.21Å; H141-L144 VanDerWaalsContact CD2-N 3.34Å; H141-L144 PolarHBondContact O-N 3.45Å; L144-L146 VanDerWaalsContact C-N 3.26Å; L144-L146 PolarHBondContact O-N 3.39Å; L144-Y147 HydrophobicContact CD2-CD1 4.25Å; L144-Y147 PolarHBondContact O-N 3.46Å; L144-Y148 HydrophobicContact CB-CD2 4.48Å; L144-Y148 HydrophobicContact CB-CE2 4.25Å; L144-Y148 HydrophobicContact CD1-CE2 3.87Å; L144-Y148 HydrophobicContact CG-CE2 4.42Å; L144-Y148 WeakPolarHBondContact O-CD2 3.46Å; L144-Y148 PolarHBondContact O-N 3.23Å
145G73.1Confident80.5Confident51 Ų5174.5 Ų74.553%0.52640%0.404SS..Hα-helixtrans-56.4-44.5171.600000111.3Y148 V149G145-Y148 PolarHBondContact O-N 3.46Å; G145-V149 WeakPolarHBondContact O-CB 3.43Å; G145-V149 WeakPolarHBondContact O-CG2 3.32Å; G145-V149 PolarHBondContact O-N 2.87Å
146L78.3Confident80.2Confident104 Ų10478.7 Ų78.755%0.54542%0.423SS..Hα-helixtrans-65.6-38.8176.9-175.661.1000112.8G143 L144 V149 I150G143-L146 PolarHBondContact O-N 2.83Å; L144-L146 VanDerWaalsContact C-N 3.26Å; L144-L146 PolarHBondContact O-N 3.39Å; L146-V149 WeakPolarHBondContact O-CB 3.36Å; L146-V149 PolarHBondContact O-N 2.85Å; L146-I150 HydrophobicContact CD1-CD1 4.19Å; L146-I150 HydrophobicContact CD1-CG1 4.45Å; L146-I150 HydrophobicContact CG-CD1 3.94Å; L146-I150 WeakPolarHBondContact O-CB 3.17Å; L146-I150 WeakPolarHBondContact O-CD1 3.25Å; L146-I150 VanDerWaalsContact O-CG1 3.23Å; L146-I150 WeakPolarHBondContact O-CG1 3.06Å; L146-I150 PolarHBondContact O-N 3.42Å
147Y82.9Confident79.9Confident135 Ų13575.8 Ų75.853%0.52942%0.42SS..Hα-helixtrans-63.4-48.9175.5172.1-98.8000111G143 L144 V149 I150 V151G143-Y147 WeakPolarHBondContact O-CB 3.31Å; G143-Y147 PolarHBondContact O-N 2.9Å; L144-Y147 HydrophobicContact CD2-CD1 4.25Å; L144-Y147 PolarHBondContact O-N 3.46Å; Y147-V149 VanDerWaalsContact C-N 3.34Å; Y147-V149 PolarHBondContact O-N 3.25Å; Y147-I150 PolarHBondContact O-N 2.89Å; Y147-V151 HydrophobicContact CD1-CG2 4.37Å; Y147-V151 HydrophobicContact CD2-CG2 4.34Å; Y147-V151 HydrophobicContact CE1-CG2 4.02Å; Y147-V151 HydrophobicContact CE2-CG2 3.97Å; Y147-V151 WeakPolarHBondContact O-CB 3.21Å; Y147-V151 VanDerWaalsContact O-CG2 3.31Å; Y147-V151 WeakPolarHBondContact O-CG2 3.5Å; Y147-V151 PolarHBondContact O-N 3.29Å
148Y81.5Confident79.9Confident136 Ų13679.1 Ų79.153%0.53344%0.436SS..Hα-helixtrans-63.5-39175.3-67.6-57.6000111.9L144 G145 V151 C152L144-Y148 HydrophobicContact CB-CD2 4.48Å; L144-Y148 HydrophobicContact CB-CE2 4.25Å; L144-Y148 HydrophobicContact CD1-CE2 3.87Å; L144-Y148 HydrophobicContact CG-CE2 4.42Å; L144-Y148 WeakPolarHBondContact O-CD2 3.46Å; L144-Y148 PolarHBondContact O-N 3.23Å; G145-Y148 PolarHBondContact O-N 3.46Å; Y148-V151 PolarHBondContact O-N 3.34Å; Y148-C152 VanDerWaalsContact O-CB 3.32Å; Y148-C152 WeakPolarHBondContact O-CB 3.27Å; Y148-C152 PolarHBondContact O-N 2.85Å; Y148-C152 PolarHBondContact O-SG 2.71Å
149V81.2Confident79.9Confident45 Ų4580.9 Ų80.927%0.27344%0.444SS..Hα-helixtrans-56.7-50.1171.1166.30000111.1F24 G145 L146 Y147 C152 L153F24-V149 HydrophobicContact CE1-CG2 3.65Å; F24-V149 HydrophobicContact CZ-CG2 3.73Å; G145-V149 WeakPolarHBondContact O-CB 3.43Å; G145-V149 WeakPolarHBondContact O-CG2 3.32Å; G145-V149 PolarHBondContact O-N 2.87Å; L146-V149 WeakPolarHBondContact O-CB 3.36Å; L146-V149 PolarHBondContact O-N 2.85Å; Y147-V149 VanDerWaalsContact C-N 3.34Å; Y147-V149 PolarHBondContact O-N 3.25Å; V149-C152 PolarHBondContact O-N 2.83Å; V149-L153 HydrophobicContact CG1-CD1 3.87Å; V149-L153 HydrophobicContact CG1-CG 4.47Å; V149-L153 WeakPolarHBondContact O-CB 3.34Å; V149-L153 VanDerWaalsContact O-CG 3.28Å; V149-L153 WeakPolarHBondContact O-CG 3.43Å; V149-L153 PolarHBondContact O-N 3.33Å
150I85.3Confident80.2Confident81 Ų8180.9 Ų80.942%0.41545%0.449SS..Hα-helixtrans-63.2-45.8179.9-71164.9000110.9L146 Y147 C152 L153 I154L146-I150 HydrophobicContact CD1-CD1 4.19Å; L146-I150 HydrophobicContact CD1-CG1 4.45Å; L146-I150 HydrophobicContact CG-CD1 3.94Å; L146-I150 WeakPolarHBondContact O-CB 3.17Å; L146-I150 WeakPolarHBondContact O-CD1 3.25Å; L146-I150 VanDerWaalsContact O-CG1 3.23Å; L146-I150 WeakPolarHBondContact O-CG1 3.06Å; L146-I150 PolarHBondContact O-N 3.42Å; Y147-I150 PolarHBondContact O-N 2.89Å; I150-C152 PolarHBondContact O-N 3.22Å; I150-L153 PolarHBondContact O-N 2.9Å; I150-I154 HydrophobicContact CG2-CD1 3.73Å; I150-I154 HydrophobicContact CG2-CG1 4.47Å; I150-I154 VanDerWaalsContact O-CG1 3.29Å; I150-I154 WeakPolarHBondContact O-CG1 3.15Å; I150-I154 PolarHBondContact O-N 3.23Å
151V87.5Confident81Confident62 Ų6283 Ų8338%0.37646%0.457SS..Hα-helixtrans-61-42.9176.8169.70000111.1Y147 Y148 I154 A155Y147-V151 HydrophobicContact CD1-CG2 4.37Å; Y147-V151 HydrophobicContact CD2-CG2 4.34Å; Y147-V151 HydrophobicContact CE1-CG2 4.02Å; Y147-V151 HydrophobicContact CE2-CG2 3.97Å; Y147-V151 WeakPolarHBondContact O-CB 3.21Å; Y147-V151 VanDerWaalsContact O-CG2 3.31Å; Y147-V151 WeakPolarHBondContact O-CG2 3.5Å; Y147-V151 PolarHBondContact O-N 3.29Å; Y148-V151 PolarHBondContact O-N 3.34Å; V151-I154 PolarHBondContact O-N 3.32Å; V151-A155 WeakPolarHBondContact O-CB 3.4Å; V151-A155 PolarHBondContact O-N 2.99Å
152C84.4Confident81.9Confident59 Ų5983.4 Ų83.440%0.39946%0.462SS..Hα-helixtrans-62.5-46.3174.1-75.10000111.9Y148 V149 I150 I154 A155 F156Y148-C152 VanDerWaalsContact O-CB 3.32Å; Y148-C152 WeakPolarHBondContact O-CB 3.27Å; Y148-C152 PolarHBondContact O-N 2.85Å; Y148-C152 PolarHBondContact O-SG 2.71Å; V149-C152 PolarHBondContact O-N 2.83Å; I150-C152 PolarHBondContact O-N 3.22Å; C152-I154 VanDerWaalsContact C-N 3.33Å; C152-I154 PolarHBondContact O-N 2.99Å; C152-A155 PolarHBondContact O-N 3.2Å; C152-F156 HydrophobicContact CB-CD2 4.33Å; C152-F156 HydrophobicContact CB-CE2 4.24Å; C152-F156 WeakPolarHBondContact O-CB 3.34Å; C152-F156 WeakPolarHBondContact O-CD2 3.06Å; C152-F156 PolarHBondContact O-N 3.43Å
153L85.2Confident82.6Confident105 Ų10582.3 Ų82.355%0.5545%0.447SS..Hα-helixtrans-61.9-39178-70.8170.6000112.2V149 I150 T157V149-L153 HydrophobicContact CG1-CD1 3.87Å; V149-L153 HydrophobicContact CG1-CG 4.47Å; V149-L153 WeakPolarHBondContact O-CB 3.34Å; V149-L153 VanDerWaalsContact O-CG 3.28Å; V149-L153 WeakPolarHBondContact O-CG 3.43Å; V149-L153 PolarHBondContact O-N 3.33Å; I150-L153 PolarHBondContact O-N 2.9Å; L153-T157 WeakPolarHBondContact O-CB 3.49Å; L153-T157 WeakPolarHBondContact O-CG2 3.49Å; L153-T157 PolarHBondContact O-N 3.39Å; L153-T157 PolarHBondContact O-OG1 3.45Å
154I91Very high83.7Confident90 Ų9084.8 Ų84.846%0.46246%0.457SS..Hα-helixtrans-64.8-47173.2-68.6167.5000110.5I150 V151 C152 F156 T157 I158I150-I154 HydrophobicContact CG2-CD1 3.73Å; I150-I154 HydrophobicContact CG2-CG1 4.47Å; I150-I154 VanDerWaalsContact O-CG1 3.29Å; I150-I154 WeakPolarHBondContact O-CG1 3.15Å; I150-I154 PolarHBondContact O-N 3.23Å; V151-I154 PolarHBondContact O-N 3.32Å; C152-I154 VanDerWaalsContact C-N 3.33Å; C152-I154 PolarHBondContact O-N 2.99Å; I154-F156 PolarHBondContact O-N 3.19Å; I154-T157 WeakPolarHBondContact CA-OG1 3.48Å; I154-T157 PolarHBondContact O-N 3.49Å; I154-T157 PolarHBondContact O-OG1 3.43Å; I154-I158 HydrophobicContact CG2-CD1 3.71Å; I154-I158 HydrophobicContact CG2-CG1 4.48Å; I154-I158 WeakPolarHBondContact O-CB 3.22Å; I154-I158 VanDerWaalsContact O-CG1 3.27Å; I154-I158 WeakPolarHBondContact O-CG1 3.47Å; I154-I158 PolarHBondContact O-N 2.83Å
155A87.1Confident84.3Confident47 Ų4786.3 Ų86.339%0.38847%0.468SS..Hα-helixtrans-61.9-41.4177.700000112.7V151 C152 T159V151-A155 WeakPolarHBondContact O-CB 3.4Å; V151-A155 PolarHBondContact O-N 2.99Å; C152-A155 PolarHBondContact O-N 3.2Å; A155-T159 VanDerWaalsContact O-CB 3.25Å; A155-T159 WeakPolarHBondContact O-CB 3.18Å; A155-T159 PolarHBondContact O-N 3.25Å; A155-T159 PolarHBondContact O-OG1 2.67Å
156F88.4Confident84.8Confident90 Ų9092.8 Ų92.840%0.39548%0.477SS..Hα-helixtrans-69.6-39.9177.3-76.9-59.4000112.7V16 I20 C152 I154 T159 M160V16-F156 HydrophobicContact CG1-CE1 3.81Å; V16-F156 HydrophobicContact CG1-CZ 4.4Å; I20-F156 HydrophobicContact CD1-CD1 4.46Å; I20-F156 HydrophobicContact CD1-CD2 4.13Å; I20-F156 HydrophobicContact CD1-CE1 3.86Å; I20-F156 HydrophobicContact CD1-CE2 3.49Å; I20-F156 VanDerWaalsContact CD1-CE2 3.49Å; I20-F156 HydrophobicContact CD1-CZ 3.35Å; I20-F156 HydrophobicContact CG1-CE2 4.1Å; I20-F156 HydrophobicContact CG1-CZ 3.96Å; C152-F156 HydrophobicContact CB-CD2 4.33Å; C152-F156 HydrophobicContact CB-CE2 4.24Å; C152-F156 WeakPolarHBondContact O-CB 3.34Å; C152-F156 WeakPolarHBondContact O-CD2 3.06Å; C152-F156 PolarHBondContact O-N 3.43Å; I154-F156 PolarHBondContact O-N 3.19Å; F156-T159 PolarHBondContact O-N 2.95Å; F156-M160 VanDerWaalsContact O-CB 3.31Å; F156-M160 WeakPolarHBondContact O-CB 3.28Å; F156-M160 PolarHBondContact O-N 2.95Å
157T86.7Confident85Confident68 Ų6891.5 Ų91.542%0.41747%0.47SS..Hα-helixtrans-67.2-42.3176.247.90000112L153 I154 M160 I161L153-T157 WeakPolarHBondContact O-CB 3.49Å; L153-T157 WeakPolarHBondContact O-CG2 3.49Å; L153-T157 PolarHBondContact O-N 3.39Å; L153-T157 PolarHBondContact O-OG1 3.45Å; I154-T157 WeakPolarHBondContact CA-OG1 3.48Å; I154-T157 PolarHBondContact O-N 3.49Å; I154-T157 PolarHBondContact O-OG1 3.43Å; T157-M160 PolarHBondContact O-N 3.29Å; T157-I161 WeakPolarHBondContact O-CD1 3.38Å; T157-I161 VanDerWaalsContact O-CG1 3.25Å; T157-I161 WeakPolarHBondContact O-CG1 3.16Å; T157-I161 PolarHBondContact O-N 2.99Å
158I90Very high85Confident89 Ų8988.4 Ų88.446%0.45647%0.467SS..Hα-helixtrans-58.9-48.9171.3-68.4168000110.6I154 M160 I161 L162I154-I158 HydrophobicContact CG2-CD1 3.71Å; I154-I158 HydrophobicContact CG2-CG1 4.48Å; I154-I158 WeakPolarHBondContact O-CB 3.22Å; I154-I158 VanDerWaalsContact O-CG1 3.27Å; I154-I158 WeakPolarHBondContact O-CG1 3.47Å; I154-I158 PolarHBondContact O-N 2.83Å; I158-M160 VanDerWaalsContact C-N 3.31Å; I158-M160 PolarHBondContact O-N 3.48Å; I158-I161 PolarHBondContact O-N 2.94Å; I158-L162 HydrophobicContact CG2-CD1 3.88Å; I158-L162 HydrophobicContact CG2-CG 4.35Å; I158-L162 WeakPolarHBondContact O-CG 3.37Å; I158-L162 PolarHBondContact O-N 3Å
159T85.8Confident85Confident69 Ų6988.5 Ų88.542%0.42347%0.474SS..Hα-helixtrans-60.6-40.2179.2-60.60000111.9A155 F156 N163A155-T159 VanDerWaalsContact O-CB 3.25Å; A155-T159 WeakPolarHBondContact O-CB 3.18Å; A155-T159 PolarHBondContact O-N 3.25Å; A155-T159 PolarHBondContact O-OG1 2.67Å; F156-T159 PolarHBondContact O-N 2.95Å; T159-N163 WeakPolarHBondContact O-CB 3.28Å; T159-N163 VanDerWaalsContact O-CG 3.31Å; T159-N163 PolarHBondContact O-N 2.92Å; T159-N163 PolarHBondContact O-ND2 2.98Å; T159-N163 VanDerWaalsContact O-ND2 3.11Å
160M84.1Confident85.1Confident115 Ų11589.9 Ų89.957%0.56748%0.482SS*.Hα-helixtrans-63.1-47.4174.4-177.1-176.869.700111.5F156 T157 I158 L162 N163 V164F156-M160 VanDerWaalsContact O-CB 3.31Å; F156-M160 WeakPolarHBondContact O-CB 3.28Å; F156-M160 PolarHBondContact O-N 2.95Å; T157-M160 PolarHBondContact O-N 3.29Å; I158-M160 VanDerWaalsContact C-N 3.31Å; I158-M160 PolarHBondContact O-N 3.48Å; M160-L162 PolarHBondContact O-N 3.34Å; M160-N163 PolarHBondContact O-N 2.97Å; M160-V164 HydrophobicContact CG-CG2 4.43Å; M160-V164 WeakPolarHBondContact O-CB 3.44Å; M160-V164 WeakPolarHBondContact O-CG2 3.31Å; M160-V164 PolarHBondContact O-N 3.49Å
161I85.3Confident84.8Confident100 Ų10087 Ų8751%0.51347%0.469SS..Hα-helixtrans-61.6-43.8179.1-69.4162.8000110.9T157 I158 V164 T165T157-I161 WeakPolarHBondContact O-CD1 3.38Å; T157-I161 VanDerWaalsContact O-CG1 3.25Å; T157-I161 WeakPolarHBondContact O-CG1 3.16Å; T157-I161 PolarHBondContact O-N 2.99Å; I158-I161 PolarHBondContact O-N 2.94Å; I161-V164 PolarHBondContact O-N 3.21Å; I161-T165 VanDerWaalsContact O-CB 3.31Å; I161-T165 WeakPolarHBondContact O-CB 3.32Å; I161-T165 PolarHBondContact O-N 3.35Å; I161-T165 PolarHBondContact O-OG1 3.04Å
162L82.8Confident84.7Confident112 Ų11287 Ų8759%0.58647%0.473SS*.Hα-helixtrans-62.9-44.1176.2-69.4173.3000111.7I158 M160 T165 R166I158-L162 HydrophobicContact CG2-CD1 3.88Å; I158-L162 HydrophobicContact CG2-CG 4.35Å; I158-L162 WeakPolarHBondContact O-CG 3.37Å; I158-L162 PolarHBondContact O-N 3Å; M160-L162 PolarHBondContact O-N 3.34Å; L162-T165 PolarHBondContact O-N 3.11Å; L162-R166 WeakPolarHBondContact O-CB 3.35Å; L162-R166 PolarHBondContact O-N 2.86Å
163N78.4Confident84.4Confident97 Ų9790 Ų9052%0.51948%0.48SS..Hα-helixtrans-66.1-42.4178-78.6-35.5000112.7T159 M160 R166 L167T159-N163 WeakPolarHBondContact O-CB 3.28Å; T159-N163 VanDerWaalsContact O-CG 3.31Å; T159-N163 PolarHBondContact O-N 2.92Å; T159-N163 PolarHBondContact O-ND2 2.98Å; T159-N163 VanDerWaalsContact O-ND2 3.11Å; M160-N163 PolarHBondContact O-N 2.97Å; N163-R166 PolarHBondContact O-N 2.93Å; N163-L167 WeakPolarHBondContact O-CB 3.39Å; N163-L167 PolarHBondContact O-N 3.32Å
164V87.3Confident83.9Confident79 Ų7988.6 Ų88.648%0.47947%0.473SS..Hα-helixtrans-62-46.3173.6169.90000110.3M160 I161 R166 L167 C168M160-V164 HydrophobicContact CG-CG2 4.43Å; M160-V164 WeakPolarHBondContact O-CB 3.44Å; M160-V164 WeakPolarHBondContact O-CG2 3.31Å; M160-V164 PolarHBondContact O-N 3.49Å; I161-V164 PolarHBondContact O-N 3.21Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 3.39Å; V164-L167 PolarHBondContact O-N 3.03Å; V164-C168 WeakPolarHBondContact O-CB 3.3Å; V164-C168 PolarHBondContact O-N 2.68Å; V164-C168 PolarHBondContact O-SG 2.86Å
165T84.4Confident83.2Confident78 Ų7890.5 Ų90.548%0.47948%0.478SS..Hα-helixtrans-59.5-43.6177.6-57.10000111.4I161 L162 C168 M169I161-T165 VanDerWaalsContact O-CB 3.31Å; I161-T165 WeakPolarHBondContact O-CB 3.32Å; I161-T165 PolarHBondContact O-N 3.35Å; I161-T165 PolarHBondContact O-OG1 3.04Å; L162-T165 PolarHBondContact O-N 3.11Å; T165-C168 PolarHBondContact O-N 2.89Å; T165-M169 WeakPolarHBondContact O-CB 3.28Å; T165-M169 WeakPolarHBondContact O-CG 3.27Å; T165-M169 PolarHBondContact O-N 3.38Å
166R83.2Confident83.1Confident188 Ų18895.7 Ų95.771%0.70949%0.492SS*.Hα-helixtrans-62.6-43.1175.8-161.2177-155-112.13.6111.9L162 N163 V164 M169 V170L162-R166 WeakPolarHBondContact O-CB 3.35Å; L162-R166 PolarHBondContact O-N 2.86Å; N163-R166 PolarHBondContact O-N 2.93Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 3.39Å; R166-M169 PolarHBondContact O-N 2.73Å; R166-V170 WeakPolarHBondContact O-CG2 3.5Å; R166-V170 PolarHBondContact O-N 2.71Å
167L83.5Confident82.5Confident77 Ų7793.9 Ų93.940%0.40349%0.488SS..Hα-helixtrans-65.9-40.1176.5-177.462.4000112Y9 N163 V164 S171Y9-L167 HydrophobicContact CE2-CD1 4.24Å; N163-L167 WeakPolarHBondContact O-CB 3.39Å; N163-L167 PolarHBondContact O-N 3.32Å; V164-L167 PolarHBondContact O-N 3.03Å; L167-S171 WeakPolarHBondContact O-CB 3.47Å; L167-S171 PolarHBondContact O-N 2.9Å; L167-S171 PolarHBondContact O-OG 2.97Å
168C81.8Confident82.3Confident69 Ų6996.5 Ų96.547%0.46650%0.496SS..Hα-helixtrans-65.6-41.2175-720000112.2V164 T165 S172V164-C168 WeakPolarHBondContact O-CB 3.3Å; V164-C168 PolarHBondContact O-N 2.68Å; V164-C168 PolarHBondContact O-SG 2.86Å; T165-C168 PolarHBondContact O-N 2.89Å; C168-S172 VanDerWaalsContact O-CB 3.24Å; C168-S172 WeakPolarHBondContact O-CB 3.49Å; C168-S172 PolarHBondContact O-N 3.37Å; C168-S172 PolarHBondContact O-OG 2.78Å
169M81.4Confident82Confident138 Ų138100 Ų10068%0.6851%0.508SS*.Hα-helixtrans-60-52173.8-73.4-101.4-7900111.3T165 R166 S172 H173T165-M169 WeakPolarHBondContact O-CB 3.28Å; T165-M169 WeakPolarHBondContact O-CG 3.27Å; T165-M169 PolarHBondContact O-N 3.38Å; R166-M169 PolarHBondContact O-N 2.73Å; M169-S172 PolarHBondContact O-N 3.05Å; M169-H173 PolarHBondContact O-N 3.24Å
170V84.6Confident81.7Confident74 Ų7499.7 Ų99.745%0.44851%0.512SS..Hα-helixtrans-62-46.1177.9172.40000111.3R166 S172 H173 L174R166-V170 WeakPolarHBondContact O-CG2 3.5Å; R166-V170 PolarHBondContact O-N 2.71Å; V170-S172 VanDerWaalsContact C-N 3.28Å; V170-S172 PolarHBondContact O-N 2.84Å; V170-H173 PolarHBondContact O-N 3.48Å; V170-L174 HydrophobicContact CG1-CD1 3.99Å; V170-L174 HydrophobicContact CG1-CG 4.34Å; V170-L174 WeakPolarHBondContact O-CG 3.45Å; V170-L174 PolarHBondContact O-N 2.83Å
171S77.8Confident81.3Confident20 Ų2098.8 Ų98.814%0.1451%0.508CS..Hα-helixtrans-63-34.8178.2-58.70000112.5L167 K175L167-S171 WeakPolarHBondContact O-CB 3.47Å; L167-S171 PolarHBondContact O-N 2.9Å; L167-S171 PolarHBondContact O-OG 2.97Å; S171-K175 WeakPolarHBondContact O-CB 3.36Å; S171-K175 WeakPolarHBondContact O-CG 3.45Å; S171-K175 PolarHBondContact O-N 3.07Å
172S86.5Confident80.7Confident64 Ų6499 Ų9945%0.44851%0.511SS..Hα-helixtrans-71.2-37.1175.4-600000111.9C168 M169 V170 K176C168-S172 VanDerWaalsContact O-CB 3.24Å; C168-S172 WeakPolarHBondContact O-CB 3.49Å; C168-S172 PolarHBondContact O-N 3.37Å; C168-S172 PolarHBondContact O-OG 2.78Å; M169-S172 PolarHBondContact O-N 3.05Å; V170-S172 VanDerWaalsContact C-N 3.28Å; V170-S172 PolarHBondContact O-N 2.84Å; S172-K176 WeakPolarHBondContact O-CG 3.38Å; S172-K176 PolarHBondContact O-N 2.9Å; S172-K176 VanDerWaalsContact O-N 3.07Å
173H76.8Confident80.5Confident121 Ų12197.2 Ų97.256%0.5650%0.499SS*.Hα-helixtrans-65-46.2171.7-170-81000111.2M169 V170 K175 K176 T177M169-H173 PolarHBondContact O-N 3.24Å; V170-H173 PolarHBondContact O-N 3.48Å; H173-K175 PolarHBondContact O-N 2.95Å; H173-K176 WeakPolarHBondContact O-CB 3.49Å; H173-K176 PolarHBondContact O-N 2.9Å; H173-K176 VanDerWaalsContact O-N 3.09Å; H173-T177 PolarHBondContact O-N 3.36Å; H173-T177 PolarHBondContact O-OG1 3.21Å
174L74.8Confident80Confident76 Ų7697.2 Ų97.240%0.39850%0.495SS..Hα-helixtrans-59.1-44.1177.5-71.5173.9000112V170 K176 T177 E178V170-L174 HydrophobicContact CG1-CD1 3.99Å; V170-L174 HydrophobicContact CG1-CG 4.34Å; V170-L174 WeakPolarHBondContact O-CG 3.45Å; V170-L174 PolarHBondContact O-N 2.83Å; L174-K176 VanDerWaalsContact C-N 3.34Å; L174-K176 PolarHBondContact O-N 3.15Å; L174-T177 WeakPolarHBondContact CA-OG1 3.38Å; L174-T177 PolarHBondContact O-N 2.95Å; L174-T177 PolarHBondContact O-OG1 3.47Å; L174-E178 VanDerWaalsContact O-CB 3.24Å; L174-E178 WeakPolarHBondContact O-CB 3.27Å; L174-E178 PolarHBondContact O-N 2.92Å
175K77.4Confident79Confident130 Ų13098.6 Ų98.657%0.56550%0.495SS*.Hα-helixtrans-63.8-34.5173.8-75.1178.2177.6-175.40113.3S171 H173 K179S171-K175 WeakPolarHBondContact O-CB 3.36Å; S171-K175 WeakPolarHBondContact O-CG 3.45Å; S171-K175 PolarHBondContact O-N 3.07Å; H173-K175 PolarHBondContact O-N 2.95Å; K175-K179 WeakPolarHBondContact O-CB 3.39Å; K175-K179 PolarHBondContact O-N 3.44Å
176K84Confident78.2Confident156 Ų156103.2 Ų103.268%0.67850%0.503SS*.Hα-helixtrans-66.6-44.8172.8-75.5174.4179.8-176.90111.3S172 H173 L174 K179 A180S172-K176 WeakPolarHBondContact O-CG 3.38Å; S172-K176 PolarHBondContact O-N 2.9Å; S172-K176 VanDerWaalsContact O-N 3.07Å; H173-K176 WeakPolarHBondContact O-CB 3.49Å; H173-K176 PolarHBondContact O-N 2.9Å; H173-K176 VanDerWaalsContact O-N 3.09Å; L174-K176 VanDerWaalsContact C-N 3.34Å; L174-K176 PolarHBondContact O-N 3.15Å; K176-K179 PolarHBondContact O-N 3.25Å; K176-A180 WeakPolarHBondContact O-CB 3.43Å; K176-A180 PolarHBondContact O-N 3.41Å
177T76.9Confident77.4Confident52 Ų5298.6 Ų98.632%0.31950%0.496SS..Hα-helixtrans-67.3-40176.448.60000112.4H173 L174 A180 I181H173-T177 PolarHBondContact O-N 3.36Å; H173-T177 PolarHBondContact O-OG1 3.21Å; L174-T177 WeakPolarHBondContact CA-OG1 3.38Å; L174-T177 PolarHBondContact O-N 2.95Å; L174-T177 PolarHBondContact O-OG1 3.47Å; T177-A180 PolarHBondContact O-N 2.94Å; T177-I181 WeakPolarHBondContact O-CB 3.06Å; T177-I181 WeakPolarHBondContact O-CD1 3.4Å; T177-I181 WeakPolarHBondContact O-CG1 3.29Å; T177-I181 PolarHBondContact O-N 3.35Å
178E81.9Confident76.4Confident123 Ų12398.9 Ų98.958%0.57550%0.495SS*.Hα-helixtrans-59-47.7175179175.2-140.500111.1L174 A180 I181 N182L174-E178 VanDerWaalsContact O-CB 3.24Å; L174-E178 WeakPolarHBondContact O-CB 3.27Å; L174-E178 PolarHBondContact O-N 2.92Å; E178-A180 PolarHBondContact O-N 2.69Å; E178-I181 PolarHBondContact O-N 3.24Å; E178-N182 WeakPolarHBondContact O-CB 3.41Å; E178-N182 PolarHBondContact O-N 2.96Å
179K82.9Confident75.3Confident163 Ų16395.8 Ų95.871%0.70948%0.475SS*.Hα-helixtrans-62.6-42.6175-173176.4179.9-179.20112.4K175 K176 E183K175-K179 WeakPolarHBondContact O-CB 3.39Å; K175-K179 PolarHBondContact O-N 3.44Å; K176-K179 PolarHBondContact O-N 3.25Å; K179-E183 WeakPolarHBondContact O-CB 3.28Å; K179-E183 PolarHBondContact O-N 3.49Å
180A80.5Confident74.3Confident62 Ų6293.3 Ų93.351%0.51248%0.476SS..Hα-helixtrans-65.3-42.5178.800000112.3K176 T177 E178 E183 F184K176-A180 WeakPolarHBondContact O-CB 3.43Å; K176-A180 PolarHBondContact O-N 3.41Å; T177-A180 PolarHBondContact O-N 2.94Å; E178-A180 PolarHBondContact O-N 2.69Å; A180-E183 PolarHBondContact O-N 2.88Å; A180-F184 WeakPolarHBondContact O-CB 3.47Å; A180-F184 PolarHBondContact O-N 3.42Å
181I74.8Confident73.4Confident95 Ų9597.9 Ų97.949%0.48749%0.493SS..Hα-helixtrans-63.7-48.1176.1-70.9164.4000110.3T177 E178 E183 F184 F185T177-I181 WeakPolarHBondContact O-CB 3.06Å; T177-I181 WeakPolarHBondContact O-CD1 3.4Å; T177-I181 WeakPolarHBondContact O-CG1 3.29Å; T177-I181 PolarHBondContact O-N 3.35Å; E178-I181 PolarHBondContact O-N 3.24Å; I181-E183 VanDerWaalsContact C-N 3.31Å; I181-E183 PolarHBondContact O-N 3.26Å; I181-F184 PolarHBondContact O-N 2.91Å; I181-F185 HydrophobicContact CG2-CD2 3.66Å; I181-F185 HydrophobicContact CG2-CE2 3.69Å; I181-F185 VanDerWaalsContact O-CD2 3.3Å; I181-F185 WeakPolarHBondContact O-CD2 3.44Å; I181-F185 PolarHBondContact O-N 3.48Å
182N73Confident72.8Confident106 Ų106102 Ų10257%0.56751%0.508SS*.Hα-helixtrans-61.6-38.7178.8-172.882.2000112.1E178 R186E178-N182 WeakPolarHBondContact O-CB 3.41Å; E178-N182 PolarHBondContact O-N 2.96Å; N182-R186 VanDerWaalsContact O-CB 3.26Å; N182-R186 WeakPolarHBondContact O-CB 3.37Å; N182-R186 PolarHBondContact O-N 3.47Å
183E78.6Confident71.7Confident74 Ų74103.3 Ų103.335%0.34651%0.51SS..Hα-helixtrans-71.3-37.9177-165.466.2178.700112.6K179 A180 I181 R186 T187K179-E183 WeakPolarHBondContact O-CB 3.28Å; K179-E183 PolarHBondContact O-N 3.49Å; A180-E183 PolarHBondContact O-N 2.88Å; I181-E183 VanDerWaalsContact C-N 3.31Å; I181-E183 PolarHBondContact O-N 3.26Å; E183-R186 VanDerWaalsContact CD-NH2 3.26Å; E183-R186 PolarHBondContact O-N 3.27Å; E183-R186 IonicContact OE1-CZ 3.6Å; E183-R186 IonicContact OE1-NE 3.7Å; E183-R186 IonicContact OE1-NH2 2.71Å; E183-R186 PolarHBondContact OE1-NH2 3.09Å; E183-R186 IonicContact OE2-CZ 3.29Å; E183-R186 VanDerWaalsContact OE2-CZ 3.29Å; E183-R186 IonicContact OE2-NE 2.8Å; E183-R186 PolarHBondContact OE2-NE 2.91Å; E183-R186 IonicContact OE2-NH2 3Å; E183-R186 PolarHBondContact OE2-NH2 3.18Å; E183-T187 HydrophobicContact CG-CG2 4.44Å; E183-T187 WeakPolarHBondContact O-CB 3.48Å; E183-T187 WeakPolarHBondContact O-CG2 3.44Å; E183-T187 PolarHBondContact O-N 2.77Å; E183-T187 PolarHBondContact O-OG1 3.13Å
184F67.9Low71.2Confident97 Ų97102.8 Ų102.843%0.42551%0.508SS..Hα-helixtrans-61.9-46173.3-179.8-101.8000111.5A180 I181 R186 T187 E188 G189A180-F184 WeakPolarHBondContact O-CB 3.47Å; A180-F184 PolarHBondContact O-N 3.42Å; I181-F184 PolarHBondContact O-N 2.91Å; F184-R186 VanDerWaalsContact C-N 3.28Å; F184-R186 PolarHBondContact O-N 3.03Å; F184-T187 PolarHBondContact O-N 3.42Å; F184-E188 HydrophobicContact CE2-CB 4.29Å; F184-E188 PolarHBondContact O-N 2.79Å; F184-G189 PolarHBondContact O-N 3.32Å
185F65.9Low71.1Confident108 Ų108106.5 Ų106.547%0.47452%0.52SS..Iπ-helixtrans-62.4-34.7174.3-84.7-67.1000113I181 G189 L193I181-F185 HydrophobicContact CG2-CD2 3.66Å; I181-F185 HydrophobicContact CG2-CE2 3.69Å; I181-F185 VanDerWaalsContact O-CD2 3.3Å; I181-F185 WeakPolarHBondContact O-CD2 3.44Å; I181-F185 PolarHBondContact O-N 3.48Å; F185-G189 PolarHBondContact O-N 3.05Å; F185-L193 HydrophobicContact CE1-CD1 4.16Å; F185-L193 HydrophobicContact CE1-CD2 4.18Å; F185-L193 HydrophobicContact CZ-CD1 4.36Å
186R68Low70.5Confident175 Ų175102.9 Ų102.966%0.6652%0.515SS*.Iπ-helixtrans-74.8-25.4179.4-168.9171.179.2111.44114.1N182 E183 F184N182-R186 VanDerWaalsContact O-CB 3.26Å; N182-R186 WeakPolarHBondContact O-CB 3.37Å; N182-R186 PolarHBondContact O-N 3.47Å; E183-R186 VanDerWaalsContact CD-NH2 3.26Å; E183-R186 PolarHBondContact O-N 3.27Å; E183-R186 IonicContact OE1-CZ 3.6Å; E183-R186 IonicContact OE1-NE 3.7Å; E183-R186 IonicContact OE1-NH2 2.71Å; E183-R186 PolarHBondContact OE1-NH2 3.09Å; E183-R186 IonicContact OE2-CZ 3.29Å; E183-R186 VanDerWaalsContact OE2-CZ 3.29Å; E183-R186 IonicContact OE2-NE 2.8Å; E183-R186 PolarHBondContact OE2-NE 2.91Å; E183-R186 IonicContact OE2-NH2 3Å; E183-R186 PolarHBondContact OE2-NH2 3.18Å; F184-R186 VanDerWaalsContact C-N 3.28Å; F184-R186 PolarHBondContact O-N 3.03Å
187T66.6Low69.7Low91 Ų91102.1 Ų102.156%0.55851%0.508SS*.Iπ-helixtrans-111.1-35.2-17253.10000114.5E183 F184E183-T187 HydrophobicContact CG-CG2 4.44Å; E183-T187 WeakPolarHBondContact O-CB 3.48Å; E183-T187 WeakPolarHBondContact O-CG2 3.44Å; E183-T187 PolarHBondContact O-N 2.77Å; E183-T187 PolarHBondContact O-OG1 3.13Å; F184-T187 PolarHBondContact O-N 3.42Å
188E62.9Low69.3Low83 Ų83102.8 Ų102.839%0.38851%0.508SS..Iπ-helixtrans-131.1-5.4179.7-56.3-156.5129.700114.1F184 K192F184-E188 HydrophobicContact CE2-CB 4.29Å; F184-E188 PolarHBondContact O-N 2.79Å; E188-K192 HydrophobicContact CB-CD 4.13Å; E188-K192 HydrophobicContact CB-CG 4.46Å; E188-K192 WeakPolarHBondContact O-CB 3.46Å; E188-K192 PolarHBondContact O-N 3.48Å; E188-K192 WeakPolarHBondContact OE1-CE 3.3Å; E188-K192 IonicContact OE1-NZ 3.18Å; E188-K192 PolarHBondContact OE1-NZ 2.99Å; E188-K192 WeakPolarHBondContact OE2-CD 3.5Å; E188-K192 WeakPolarHBondContact OE2-CE 3.48Å; E188-K192 IonicContact OE2-NZ 2.73Å; E188-K192 PolarHBondContact OE2-NZ 3.06Å
189G58.7Low68.7Low3 Ų3101.8 Ų101.83%0.03151%0.506CS..Iπ-helixtrans-52.5-65.2-163.600000115.6F184 F185 E191 L193F184-G189 PolarHBondContact O-N 3.32Å; F185-G189 PolarHBondContact O-N 3.05Å; G189-E191 PolarHBondContact O-N 3.29Å; G189-L193 WeakPolarHBondContact O-CB 3.45Å; G189-L193 PolarHBondContact O-N 2.86Å
190A60.9Low67.9Low86 Ų8696.6 Ų96.671%0.71149%0.493SS*.Hα-helixtrans-58.7-53.2-166.400000113.3Q194A190-Q194 VanDerWaalsContact O-CB 3.23Å; A190-Q194 WeakPolarHBondContact O-CB 3.29Å; A190-Q194 PolarHBondContact O-N 2.97Å; A190-Q194 VanDerWaalsContact O-N 3.11Å
191E65.6Low67Low170 Ų17099.9 Ų99.979%0.79450%0.496SS*.Hα-helixtrans-69.4-46.3-178.4-72.6-164.6110.900112.9G189 Q194 K195G189-E191 PolarHBondContact O-N 3.29Å; E191-Q194 PolarHBondContact O-N 2.85Å; E191-K195 VanDerWaalsContact O-CB 3.27Å; E191-K195 WeakPolarHBondContact O-CB 3.4Å; E191-K195 PolarHBondContact O-N 3.14Å
192K64.1Low66.2Low106 Ų106105.2 Ų105.246%0.46151%0.51SS..Hα-helixtrans-73.6-34.4-176.3-67-163.8-171.3174.20112.4E188 K195 A196E188-K192 HydrophobicContact CB-CD 4.13Å; E188-K192 HydrophobicContact CB-CG 4.46Å; E188-K192 WeakPolarHBondContact O-CB 3.46Å; E188-K192 PolarHBondContact O-N 3.48Å; E188-K192 WeakPolarHBondContact OE1-CE 3.3Å; E188-K192 IonicContact OE1-NZ 3.18Å; E188-K192 PolarHBondContact OE1-NZ 2.99Å; E188-K192 WeakPolarHBondContact OE2-CD 3.5Å; E188-K192 WeakPolarHBondContact OE2-CE 3.48Å; E188-K192 IonicContact OE2-NZ 2.73Å; E188-K192 PolarHBondContact OE2-NZ 3.06Å; K192-K195 PolarHBondContact O-N 2.9Å; K192-A196 VanDerWaalsContact O-CB 3.23Å; K192-A196 WeakPolarHBondContact O-CB 3.19Å; K192-A196 PolarHBondContact O-N 2.84Å
193L64.4Low65.8Low92 Ų92105.5 Ų105.548%0.48251%0.51SS..Hα-helixtrans-67.1-43.5173.6-163.294.2000110.9F185 G189 K195 A196 Y197F185-L193 HydrophobicContact CE1-CD1 4.16Å; F185-L193 HydrophobicContact CE1-CD2 4.18Å; F185-L193 HydrophobicContact CZ-CD1 4.36Å; G189-L193 WeakPolarHBondContact O-CB 3.45Å; G189-L193 PolarHBondContact O-N 2.86Å; L193-K195 VanDerWaalsContact C-N 3.33Å; L193-K195 PolarHBondContact O-N 3.28Å; L193-A196 PolarHBondContact O-N 2.85Å; L193-Y197 VanDerWaalsContact O-CB 3.26Å; L193-Y197 WeakPolarHBondContact O-CB 3.48Å; L193-Y197 PolarHBondContact O-N 2.83Å
194Q65.6Low64.4Low111 Ų111106.1 Ų106.152%0.51952%0.52SS..Hα-helixtrans-63.1-40.8176.6-169.76615.400111.5A190 E191 Y197 E198A190-Q194 VanDerWaalsContact O-CB 3.23Å; A190-Q194 WeakPolarHBondContact O-CB 3.29Å; A190-Q194 PolarHBondContact O-N 2.97Å; A190-Q194 VanDerWaalsContact O-N 3.11Å; E191-Q194 PolarHBondContact O-N 2.85Å; Q194-Y197 PolarHBondContact O-N 3.31Å; Q194-E198 PolarHBondContact O-N 2.96Å
195K71.9Confident63.7Low153 Ų153109.2 Ų109.267%0.66554%0.54SS*.Hα-helixtrans-66.9-40.8176-166.3169.2-174171.80112.1E191 K192 L193 I199E191-K195 VanDerWaalsContact O-CB 3.27Å; E191-K195 WeakPolarHBondContact O-CB 3.4Å; E191-K195 PolarHBondContact O-N 3.14Å; K192-K195 PolarHBondContact O-N 2.9Å; L193-K195 VanDerWaalsContact C-N 3.33Å; L193-K195 PolarHBondContact O-N 3.28Å; K195-I199 HydrophobicContact CG-CD1 4.37Å; K195-I199 WeakPolarHBondContact O-CB 3.21Å; K195-I199 WeakPolarHBondContact O-CD1 3.43Å; K195-I199 VanDerWaalsContact O-CG1 3.22Å; K195-I199 WeakPolarHBondContact O-CG1 3.33Å; K195-I199 PolarHBondContact O-N 2.67Å
196A65.3Low63Low54 Ų54110 Ų11045%0.44655%0.548SS..Hα-helixtrans-66.7-36.817400000112.2K192 L193 I199 A200K192-A196 VanDerWaalsContact O-CB 3.23Å; K192-A196 WeakPolarHBondContact O-CB 3.19Å; K192-A196 PolarHBondContact O-N 2.84Å; L193-A196 PolarHBondContact O-N 2.85Å; A196-I199 PolarHBondContact O-N 2.96Å; A196-A200 WeakPolarHBondContact O-CB 3.49Å; A196-A200 PolarHBondContact O-N 3.15Å
197Y68.1Low62.1Low140 Ų140106.8 Ų106.855%0.54955%0.548SS..Hα-helixtrans-65.9-47.2175.9179-97.6000112L193 Q194 I199 A200 K201L193-Y197 VanDerWaalsContact O-CB 3.26Å; L193-Y197 WeakPolarHBondContact O-CB 3.48Å; L193-Y197 PolarHBondContact O-N 2.83Å; Q194-Y197 PolarHBondContact O-N 3.31Å; Y197-I199 VanDerWaalsContact C-N 3.28Å; Y197-I199 PolarHBondContact O-N 3.29Å; Y197-A200 PolarHBondContact O-N 3.35Å; Y197-K201 HydrophobicContact CE1-CD 4.32Å; Y197-K201 VanDerWaalsContact O-CB 3.24Å; Y197-K201 WeakPolarHBondContact O-CB 3.47Å; Y197-K201 PolarHBondContact O-N 3.38Å
198E67.2Low61.4Low66 Ų66104.6 Ų104.631%0.30854%0.536SS..Hα-helixtrans-68.6-24.7175.2-74.3-63.4132.900113.2Q194 K201 R202Q194-E198 PolarHBondContact O-N 2.96Å; E198-K201 VanDerWaalsContact CD-NZ 3.31Å; E198-K201 VanDerWaalsContact OE1-CD 3.25Å; E198-K201 WeakPolarHBondContact OE1-CD 3.15Å; E198-K201 IonicContact OE1-NZ 2.71Å; E198-K201 PolarHBondContact OE1-NZ 3Å; E198-K201 IonicContact OE2-NZ 3.28Å; E198-K201 PolarHBondContact OE2-NZ 2.95Å; E198-R202 WeakPolarHBondContact O-CG 3.22Å; E198-R202 PolarHBondContact O-N 2.92Å
199I70.6Confident61.2Low103 Ų103104.3 Ų104.353%0.52855%0.548SS..Hα-helixtrans-69.9-49.5167-71.4164.8000110.3K195 A196 Y197 K201 R202 I203K195-I199 HydrophobicContact CG-CD1 4.37Å; K195-I199 WeakPolarHBondContact O-CB 3.21Å; K195-I199 WeakPolarHBondContact O-CD1 3.43Å; K195-I199 VanDerWaalsContact O-CG1 3.22Å; K195-I199 WeakPolarHBondContact O-CG1 3.33Å; K195-I199 PolarHBondContact O-N 2.67Å; A196-I199 PolarHBondContact O-N 2.96Å; Y197-I199 VanDerWaalsContact C-N 3.28Å; Y197-I199 PolarHBondContact O-N 3.29Å; I199-K201 VanDerWaalsContact C-N 3.29Å; I199-K201 PolarHBondContact O-N 3.02Å; I199-R202 CarbonylContact O-C 3.6Å; I199-R202 WeakPolarHBondContact O-CA 3.16Å; I199-R202 WeakPolarHBondContact O-CB 3.46Å; I199-R202 PolarHBondContact O-N 2.81Å; I199-I203 PolarHBondContact O-N 2.84Å; I199-I203 VanDerWaalsContact O-N 3.16Å
200A64.6Low61Low54 Ų54111.2 Ų111.245%0.44658%0.577SS.*Hα-helixtrans-60.7-37.2179.800000112.5A196 Y197 R202 I203A196-A200 WeakPolarHBondContact O-CB 3.49Å; A196-A200 PolarHBondContact O-N 3.15Å; Y197-A200 PolarHBondContact O-N 3.35Å; A200-R202 PolarHBondContact O-N 2.97Å; A200-I203 WeakPolarHBondContact O-CB 3.38Å; A200-I203 PolarHBondContact O-N 2.81Å; A200-I203 VanDerWaalsContact O-N 3.1Å
201K61.4Low60.8Low131 Ų131110.7 Ų110.757%0.5757%0.565SS**THydrogen-bonded Turntrans-66.7-18.1173.9-171.1-172.6-179.3-1650113.8Y197 E198 I199Y197-K201 HydrophobicContact CE1-CD 4.32Å; Y197-K201 VanDerWaalsContact O-CB 3.24Å; Y197-K201 WeakPolarHBondContact O-CB 3.47Å; Y197-K201 PolarHBondContact O-N 3.38Å; E198-K201 VanDerWaalsContact CD-NZ 3.31Å; E198-K201 VanDerWaalsContact OE1-CD 3.25Å; E198-K201 WeakPolarHBondContact OE1-CD 3.15Å; E198-K201 IonicContact OE1-NZ 2.71Å; E198-K201 PolarHBondContact OE1-NZ 3Å; E198-K201 IonicContact OE2-NZ 3.28Å; E198-K201 PolarHBondContact OE2-NZ 2.95Å; I199-K201 VanDerWaalsContact C-N 3.29Å; I199-K201 PolarHBondContact O-N 3.02Å
202R59.8Low60.3Low207 Ų207108.4 Ų108.478%0.78156%0.556SS**THydrogen-bonded Turntrans-95.1-11.5171.9-72.5174.4177.8-95-0.2113.3E198 I199 A200 P204E198-R202 WeakPolarHBondContact O-CG 3.22Å; E198-R202 PolarHBondContact O-N 2.92Å; I199-R202 CarbonylContact O-C 3.6Å; I199-R202 WeakPolarHBondContact O-CA 3.16Å; I199-R202 WeakPolarHBondContact O-CB 3.46Å; I199-R202 PolarHBondContact O-N 2.81Å; A200-R202 PolarHBondContact O-N 2.97Å; R202-P204 WeakPolarHBondContact O-CD 3.48Å
203I63.6Low60.2Low112 Ų112107.5 Ų107.557%0.57455%0.553SS**SBendtrans-70.4117.7161.4-53.5175.8000105.3I199 A200I199-I203 PolarHBondContact O-N 2.84Å; I199-I203 VanDerWaalsContact O-N 3.16Å; A200-I203 WeakPolarHBondContact O-CB 3.38Å; A200-I203 PolarHBondContact O-N 2.81Å; A200-I203 VanDerWaalsContact O-N 3.1Å
204P48.9Very low59.9Low86 Ų86111.6 Ų111.656%0.55856%0.563SS**  trans-61.3155.7177.228.6-35.6000109.2R202 I206R202-P204 WeakPolarHBondContact O-CD 3.48Å; P204-I206 HydrophobicContact CB-CD1 4.15Å; P204-I206 HydrophobicContact CB-CG1 4.05Å; P204-I206 HydrophobicContact CG-CD1 3.85Å; P204-I206 HydrophobicContact CG-CG1 4.03Å; P204-I206 PolarHBondContact O-N 3.13Å
205I52.8Low59.7Low163 Ų163109 Ų10984%0.83656%0.56SS**SBendtrans-73.869.6-179.9-50.1-179.4000109.8
206I51Low59.4Low124 Ų124106.3 Ų106.364%0.63655%0.548SS*.  trans-123.846.4173.7-41178.2000106.9P204 S208P204-I206 HydrophobicContact CB-CD1 4.15Å; P204-I206 HydrophobicContact CB-CG1 4.05Å; P204-I206 HydrophobicContact CG-CD1 3.85Å; P204-I206 HydrophobicContact CG-CG1 4.03Å; P204-I206 PolarHBondContact O-N 3.13Å; I206-S208 PolarHBondContact O-N 3.22Å
207T49.8Very low59.4Low108 Ų108107.7 Ų107.766%0.66355%0.551SS**SBend-53.589.9127.248.50000105.4T211T207-T211 VanDerWaalsContact C-OG1 3.25Å
208S52.5Low59.4Low44 Ų44105 Ų10531%0.30855%0.549SS..  trans-43.7149.5-167.2640000112.5I206 K210 T211 M212I206-S208 PolarHBondContact O-N 3.22Å; S208-K210 PolarHBondContact O-N 3.46Å; S208-T211 PolarHBondContact N-OG1 2.8Å; S208-T211 WeakPolarHBondContact O-CA 3.42Å; S208-T211 PolarHBondContact O-N 3.26Å; S208-T211 PolarHBondContact O-OG1 3.02Å; S208-T211 PolarHBondContact OG-N 2.85Å; S208-T211 VanDerWaalsContact OG-N 3.13Å; S208-T211 PolarHBondContact OG-OG1 2.94Å; S208-M212 PolarHBondContact O-N 3.32Å
209A59.2Low59.1Low78 Ų78109 Ų10965%0.64557%0.568SS**Hα-helixtrans-49.2-36.7173.100000111.1T211 M212 E213A209-T211 PolarHBondContact O-N 3.41Å; A209-M212 WeakPolarHBondContact O-CB 3.23Å; A209-M212 PolarHBondContact O-N 2.98Å; A209-M212 VanDerWaalsContact O-N 3.09Å; A209-E213 WeakPolarHBondContact O-CG 3.47Å; A209-E213 PolarHBondContact O-N 3.2Å
210K54.3Low59.2Low148 Ų148108.8 Ų108.864%0.64357%0.567SS**Hα-helixtrans-55.2-43.2171.8-163.6169.3-174.4172.90114.2S208 E213 W214S208-K210 PolarHBondContact O-N 3.46Å; K210-E213 PolarHBondContact O-N 3.35Å; K210-W214 WeakPolarHBondContact O-CB 3.33Å; K210-W214 PolarHBondContact O-N 2.89Å
211T55.3Low59.3Low75 Ų75112.3 Ų112.346%0.4657%0.573SS.*Hα-helixtrans-71.8-29.2174.430.50000113.1T207 S208 A209 A215T207-T211 VanDerWaalsContact C-OG1 3.25Å; S208-T211 PolarHBondContact N-OG1 2.8Å; S208-T211 WeakPolarHBondContact O-CA 3.42Å; S208-T211 PolarHBondContact O-N 3.26Å; S208-T211 PolarHBondContact O-OG1 3.02Å; S208-T211 PolarHBondContact OG-N 2.85Å; S208-T211 VanDerWaalsContact OG-N 3.13Å; S208-T211 PolarHBondContact OG-OG1 2.94Å; A209-T211 PolarHBondContact O-N 3.41Å; T211-A215 WeakPolarHBondContact O-CB 3.45Å; T211-A215 PolarHBondContact O-N 2.66Å
212M56Low59.6Low121 Ų121110.3 Ų110.360%0.59657%0.571SS**Hα-helixtrans-69.7-42.6171.1-162.1-176-163.400111.6S208 A209 A215 K216S208-M212 PolarHBondContact O-N 3.32Å; A209-M212 WeakPolarHBondContact O-CB 3.23Å; A209-M212 PolarHBondContact O-N 2.98Å; A209-M212 VanDerWaalsContact O-N 3.09Å; M212-A215 PolarHBondContact O-N 2.71Å; M212-K216 WeakPolarHBondContact O-CG 3.25Å; M212-K216 PolarHBondContact O-N 2.82Å
213E62.1Low59.9Low87 Ų87106.2 Ų106.241%0.40756%0.563SS.*Hα-helixtrans-63.5-38.9173-62.9-39120.200111.9A209 K210 A215 K216 V217A209-E213 WeakPolarHBondContact O-CG 3.47Å; A209-E213 PolarHBondContact O-N 3.2Å; K210-E213 PolarHBondContact O-N 3.35Å; E213-A215 VanDerWaalsContact C-N 3.35Å; E213-A215 PolarHBondContact O-N 2.85Å; E213-K216 PolarHBondContact O-N 3.07Å; E213-K216 IonicContact OE1-NZ 3.15Å; E213-K216 PolarHBondContact OE1-NZ 3.5Å; E213-K216 VanDerWaalsContact OE2-CD 3.27Å; E213-K216 WeakPolarHBondContact OE2-CD 3.07Å; E213-K216 IonicContact OE2-NZ 2.71Å; E213-K216 PolarHBondContact OE2-NZ 2.93Å; E213-V217 WeakPolarHBondContact O-CB 3.31Å; E213-V217 VanDerWaalsContact O-CG2 3.28Å; E213-V217 WeakPolarHBondContact O-CG2 3.37Å; E213-V217 PolarHBondContact O-N 3.32Å
214W58.7Low60.3Low179 Ų179103.8 Ų103.868%0.67855%0.549SS*.Hα-helixtrans-64.6-37.8174.4-81.644.8000112.4K210 T218K210-W214 WeakPolarHBondContact O-CB 3.33Å; K210-W214 PolarHBondContact O-N 2.89Å; W214-T218 WeakPolarHBondContact O-CB 3.36Å; W214-T218 PolarHBondContact O-N 3.48Å; W214-T218 PolarHBondContact O-OG1 2.88Å
215A61.3Low61.3Low55 Ų55106.4 Ų106.446%0.45555%0.552SS.*Hα-helixtrans-64.9-44.3173.400000111.9T211 M212 E213 T218 Q219T211-A215 WeakPolarHBondContact O-CB 3.45Å; T211-A215 PolarHBondContact O-N 2.66Å; M212-A215 PolarHBondContact O-N 2.71Å; E213-A215 VanDerWaalsContact C-N 3.35Å; E213-A215 PolarHBondContact O-N 2.85Å; A215-T218 PolarHBondContact O-N 3.47Å; A215-Q219 PolarHBondContact O-N 2.83Å
216K64.3Low61.8Low97 Ų97100.9 Ų100.942%0.42253%0.53SS..Hα-helixtrans-59.8-48173.5-70.3167.4-179.2173.70111.9M212 E213 T218 Q219 L220M212-K216 WeakPolarHBondContact O-CG 3.25Å; M212-K216 PolarHBondContact O-N 2.82Å; E213-K216 PolarHBondContact O-N 3.07Å; E213-K216 IonicContact OE1-NZ 3.15Å; E213-K216 PolarHBondContact OE1-NZ 3.5Å; E213-K216 VanDerWaalsContact OE2-CD 3.27Å; E213-K216 WeakPolarHBondContact OE2-CD 3.07Å; E213-K216 IonicContact OE2-NZ 2.71Å; E213-K216 PolarHBondContact OE2-NZ 2.93Å; K216-T218 VanDerWaalsContact C-N 3.3Å; K216-T218 PolarHBondContact O-N 3.34Å; K216-Q219 PolarHBondContact O-N 2.92Å; K216-L220 WeakPolarHBondContact O-CB 3.4Å; K216-L220 PolarHBondContact O-N 2.97Å
217V66.2Low62.9Low83 Ų83101 Ų10150%0.50352%0.523SS..Hα-helixtrans-61.9-38.8178168.10000111E213 L220 K221E213-V217 WeakPolarHBondContact O-CB 3.31Å; E213-V217 VanDerWaalsContact O-CG2 3.28Å; E213-V217 WeakPolarHBondContact O-CG2 3.37Å; E213-V217 PolarHBondContact O-N 3.32Å; V217-L220 PolarHBondContact O-N 3.42Å; V217-K221 HydrophobicContact CG1-CG 4.35Å; V217-K221 VanDerWaalsContact O-CB 3.27Å; V217-K221 WeakPolarHBondContact O-CB 3.37Å; V217-K221 VanDerWaalsContact O-CG 3.28Å; V217-K221 WeakPolarHBondContact O-CG 3.23Å; V217-K221 PolarHBondContact O-N 3.42Å
218T66.9Low63.6Low85 Ų85102.1 Ų102.152%0.52152%0.52SS..Hα-helixtrans-66.7-43.6175.9-57.90000111.5W214 A215 K216 T222W214-T218 WeakPolarHBondContact O-CB 3.36Å; W214-T218 PolarHBondContact O-N 3.48Å; W214-T218 PolarHBondContact O-OG1 2.88Å; A215-T218 PolarHBondContact O-N 3.47Å; K216-T218 VanDerWaalsContact C-N 3.3Å; K216-T218 PolarHBondContact O-N 3.34Å; T218-T222 VanDerWaalsContact O-CB 3.32Å; T218-T222 WeakPolarHBondContact O-CB 3.39Å; T218-T222 PolarHBondContact O-N 2.71Å; T218-T222 PolarHBondContact O-OG1 3.31Å
219Q62.4Low63.9Low150 Ų150105.5 Ų105.570%0.70153%0.532SS*.Hα-helixtrans-63-45.8174.1-77.3-167.8-52.100111.9A215 K216 T222 M223A215-Q219 PolarHBondContact O-N 2.83Å; K216-Q219 PolarHBondContact O-N 2.92Å; Q219-T222 PolarHBondContact O-N 3.08Å; Q219-M223 WeakPolarHBondContact O-CB 3.12Å; Q219-M223 PolarHBondContact O-N 3.09Å
220L71.3Confident64.4Low98 Ų98106.9 Ų106.951%0.51353%0.525SS..Hα-helixtrans-59.9-49.9178.2-169.973.8000111K216 V217 T222 M223 E224K216-L220 WeakPolarHBondContact O-CB 3.4Å; K216-L220 PolarHBondContact O-N 2.97Å; V217-L220 PolarHBondContact O-N 3.42Å; L220-T222 VanDerWaalsContact C-N 3.29Å; L220-T222 PolarHBondContact O-N 3.19Å; L220-M223 PolarHBondContact O-N 3.4Å; L220-M223 VanDerWaalsContact O-N 3.14Å; L220-E224 WeakPolarHBondContact O-CG 3.37Å; L220-E224 PolarHBondContact O-N 3.42Å
221K66.6Low65.2Low128 Ų128105.2 Ų105.256%0.55752%0.52SS*.Hα-helixtrans-59.8-37.5176.2-77.7-75.5163.6-139.10112.9V217 E224 F225V217-K221 HydrophobicContact CG1-CG 4.35Å; V217-K221 VanDerWaalsContact O-CB 3.27Å; V217-K221 WeakPolarHBondContact O-CB 3.37Å; V217-K221 VanDerWaalsContact O-CG 3.28Å; V217-K221 WeakPolarHBondContact O-CG 3.23Å; V217-K221 PolarHBondContact O-N 3.42Å; K221-E224 IonicContact NZ-OE2 2.63Å; K221-E224 PolarHBondContact NZ-OE2 2.72Å; K221-F225 VanDerWaalsContact O-CB 3.31Å; K221-F225 WeakPolarHBondContact O-CB 3.37Å; K221-F225 PolarHBondContact O-N 3.04Å
222T67.7Low65.5Low88 Ų88107.2 Ų107.254%0.5453%0.527SS..Hα-helixtrans-69-38.3176.9-56.10000111.3T218 Q219 L220 A226T218-T222 VanDerWaalsContact O-CB 3.32Å; T218-T222 WeakPolarHBondContact O-CB 3.39Å; T218-T222 PolarHBondContact O-N 2.71Å; T218-T222 PolarHBondContact O-OG1 3.31Å; Q219-T222 PolarHBondContact O-N 3.08Å; L220-T222 VanDerWaalsContact C-N 3.29Å; L220-T222 PolarHBondContact O-N 3.19Å; T222-A226 VanDerWaalsContact O-CB 3.3Å; T222-A226 WeakPolarHBondContact O-CB 3.49Å; T222-A226 PolarHBondContact O-N 3.12Å
223M66.7Low65.4Low122 Ų122104.7 Ų104.760%0.60153%0.525SS*.Hα-helixtrans-70.1-39175.4-169.5-175.4-173.900112.3Q219 L220 R227Q219-M223 WeakPolarHBondContact O-CB 3.12Å; Q219-M223 PolarHBondContact O-N 3.09Å; L220-M223 PolarHBondContact O-N 3.4Å; L220-M223 VanDerWaalsContact O-N 3.14Å; M223-R227 WeakPolarHBondContact O-CB 3.38Å; M223-R227 PolarHBondContact O-N 2.82Å
224E72.6Confident65.2Low60 Ų60108.9 Ų108.928%0.2854%0.537SS..Hα-helixtrans-62.2-47.1172.4-72.7175165.100111.5L220 K221 R227 H228L220-E224 WeakPolarHBondContact O-CG 3.37Å; L220-E224 PolarHBondContact O-N 3.42Å; K221-E224 IonicContact NZ-OE2 2.63Å; K221-E224 PolarHBondContact NZ-OE2 2.72Å; E224-R227 PolarHBondContact O-N 2.9Å; E224-H228 PolarHBondContact O-N 2.81Å
225F69Low65.1Low142 Ų142104.3 Ų104.362%0.62353%0.533SS*.Hα-helixtrans-63.4-42.2177.1-176.5-98.4000112K221 R227 H228 M229K221-F225 VanDerWaalsContact O-CB 3.31Å; K221-F225 WeakPolarHBondContact O-CB 3.37Å; K221-F225 PolarHBondContact O-N 3.04Å; F225-R227 PolarHBondContact O-N 2.93Å; F225-H228 PolarHBondContact O-N 3.46Å; F225-M229 HydrophobicContact CE1-SD 4.33Å; F225-M229 WeakPolarHBondContact O-CB 3.47Å; F225-M229 PolarHBondContact O-N 3.09Å
226A64.4Low64.8Low46 Ų46106 Ų10638%0.3854%0.537SS..Hα-helixtrans-60.2-44.6174.200000111.7T222 M229 E230T222-A226 VanDerWaalsContact O-CB 3.3Å; T222-A226 WeakPolarHBondContact O-CB 3.49Å; T222-A226 PolarHBondContact O-N 3.12Å; A226-M229 PolarHBondContact O-N 2.94Å; A226-E230 WeakPolarHBondContact O-CB 3.24Å; A226-E230 PolarHBondContact O-N 2.79Å
227R73.2Confident64Low127 Ų127106.9 Ų106.948%0.47955%0.553SS.*Hα-helixtrans-62.1-47176.9-166.9-169.7-52109.44.1111.9M223 E224 F225 M229 E230 E231M223-R227 WeakPolarHBondContact O-CB 3.38Å; M223-R227 PolarHBondContact O-N 2.82Å; E224-R227 PolarHBondContact O-N 2.9Å; F225-R227 PolarHBondContact O-N 2.93Å; R227-M229 VanDerWaalsContact C-N 3.27Å; R227-M229 PolarHBondContact O-N 2.97Å; R227-E230 WeakPolarHBondContact O-CB 3.28Å; R227-E230 PolarHBondContact O-N 2.86Å; R227-E230 VanDerWaalsContact O-N 3.15Å; R227-E231 WeakPolarHBondContact O-CB 3.37Å; R227-E231 PolarHBondContact O-N 2.88Å
228H65.4Low63.1Low132 Ų132109 Ų10961%0.61156%0.561SS**Hα-helixtrans-59.9-38.2175.4-94.1-47.2000112.3E224 F225 E231 L232E224-H228 PolarHBondContact O-N 2.81Å; F225-H228 PolarHBondContact O-N 3.46Å; H228-E231 IonicContact ND1-OE2 2.72Å; H228-E231 PolarHBondContact O-N 2.8Å; H228-L232 VanDerWaalsContact O-CB 3.29Å; H228-L232 WeakPolarHBondContact O-CB 3.03Å; H228-L232 PolarHBondContact O-N 3.03Å
229M59.2Low62.1Low115 Ų115109.4 Ų109.457%0.56757%0.565SS**Hα-helixtrans-70-33.9176.5-168.7170.462.500112.3F225 A226 R227 A233F225-M229 HydrophobicContact CE1-SD 4.33Å; F225-M229 WeakPolarHBondContact O-CB 3.47Å; F225-M229 PolarHBondContact O-N 3.09Å; A226-M229 PolarHBondContact O-N 2.94Å; R227-M229 VanDerWaalsContact C-N 3.27Å; R227-M229 PolarHBondContact O-N 2.97Å; M229-A233 VanDerWaalsContact O-CB 3.28Å; M229-A233 WeakPolarHBondContact O-CB 3.35Å; M229-A233 PolarHBondContact O-N 3.16Å
230E69.9Low61.2Low106 Ų106110.4 Ų110.450%0.49557%0.57SS.*Hα-helixtrans-72.9-29.2174.2-152.3-160.7122.200112.8A226 R227 R234A226-E230 WeakPolarHBondContact O-CB 3.24Å; A226-E230 PolarHBondContact O-N 2.79Å; R227-E230 WeakPolarHBondContact O-CB 3.28Å; R227-E230 PolarHBondContact O-N 2.86Å; R227-E230 VanDerWaalsContact O-N 3.15Å; E230-R234 PolarHBondContact O-N 2.92Å; E230-R234 PolarHBondContact O-NH1 2.83Å; E230-R234 IonicContact OE1-CZ 3.86Å; E230-R234 IonicContact OE1-NH1 2.8Å; E230-R234 PolarHBondContact OE1-NH1 3.45Å; E230-R234 IonicContact OE1-NH2 2.66Å; E230-R234 PolarHBondContact OE1-NH2 2.85Å
231E69.8Low60Low113 Ų113111.2 Ų111.253%0.52858%0.579SS.*Hα-helixtrans-78.7-40.3174.6-170.6164.4-141.400111.1R227 H228 A233 R234 S235R227-E231 WeakPolarHBondContact O-CB 3.37Å; R227-E231 PolarHBondContact O-N 2.88Å; H228-E231 IonicContact ND1-OE2 2.72Å; H228-E231 PolarHBondContact O-N 2.8Å; E231-A233 VanDerWaalsContact C-N 3.29Å; E231-A233 PolarHBondContact O-N 2.98Å; E231-R234 WeakPolarHBondContact O-CB 3.43Å; E231-R234 PolarHBondContact O-N 3.15Å; E231-S235 PolarHBondContact O-N 3.06Å; E231-S235 PolarHBondContact O-OG 2.93Å
232L62.1Low59.2Low118 Ų118110 Ų11062%0.61858%0.577SS**Hα-helixtrans-62.1-37.7169.7-158.775.2000111.5H228 R234 S235 V236H228-L232 VanDerWaalsContact O-CB 3.29Å; H228-L232 WeakPolarHBondContact O-CB 3.03Å; H228-L232 PolarHBondContact O-N 3.03Å; L232-R234 PolarHBondContact O-N 2.83Å; L232-S235 WeakPolarHBondContact CA-OG 3.37Å; L232-S235 PolarHBondContact O-N 3.09Å; L232-S235 PolarHBondContact O-OG 2.83Å; L232-V236 WeakPolarHBondContact O-CG2 3.33Å; L232-V236 PolarHBondContact O-N 2.93Å; L232-V236 VanDerWaalsContact O-N 3.13Å
233A53.9Low58.3Low67 Ų67112.1 Ų112.155%0.55459%0.585SS**Hα-helixtrans-68-18.8173.500000113.9M229 E231M229-A233 VanDerWaalsContact O-CB 3.28Å; M229-A233 WeakPolarHBondContact O-CB 3.35Å; M229-A233 PolarHBondContact O-N 3.16Å; E231-A233 VanDerWaalsContact C-N 3.29Å; E231-A233 PolarHBondContact O-N 2.98Å
234R58.3Low57.6Low175 Ų175111 Ų11166%0.6659%0.589SS**Hα-helixtrans-88-28170.5-75.1-177.9-177.183.3-4.4113.3E230 E231 L232E230-R234 PolarHBondContact O-N 2.92Å; E230-R234 PolarHBondContact O-NH1 2.83Å; E230-R234 IonicContact OE1-CZ 3.86Å; E230-R234 IonicContact OE1-NH1 2.8Å; E230-R234 PolarHBondContact OE1-NH1 3.45Å; E230-R234 IonicContact OE1-NH2 2.66Å; E230-R234 PolarHBondContact OE1-NH2 2.85Å; E231-R234 WeakPolarHBondContact O-CB 3.43Å; E231-R234 PolarHBondContact O-N 3.15Å; L232-R234 PolarHBondContact O-N 2.83Å
235S55.7Low56.4Low83 Ų83111.4 Ų111.458%0.5860%0.598SS**Hα-helixtrans-87.4-14.5-178.964.40000114.1E231 L232 P237E231-S235 PolarHBondContact O-N 3.06Å; E231-S235 PolarHBondContact O-OG 2.93Å; L232-S235 WeakPolarHBondContact CA-OG 3.37Å; L232-S235 PolarHBondContact O-N 3.09Å; L232-S235 PolarHBondContact O-OG 2.83Å; S235-P237 VanDerWaalsContact O-CD 3.3Å; S235-P237 WeakPolarHBondContact O-CD 3.23Å
236V56.2Low55.3Low90 Ų90113 Ų11355%0.54560%0.6SS.*SBendtrans-68.7116.1162.1174.20000108.9L232 L238L232-V236 WeakPolarHBondContact O-CG2 3.33Å; L232-V236 PolarHBondContact O-N 2.93Å; L232-V236 VanDerWaalsContact O-N 3.13Å; V236-L238 PolarHBondContact O-N 2.04Å
237P46.3Very low54.5Low116 Ų116114 Ų11475%0.75361%0.608SS**  trans-70108.8179.128.3-33.5000110.2S235S235-P237 VanDerWaalsContact O-CD 3.3Å; S235-P237 WeakPolarHBondContact O-CD 3.23Å
238L48.2Very low53.1Low127 Ų127114.7 Ų114.767%0.66561%0.614SS**  trans-60.5130.4170-74.6167.7000109.7V236 Q240V236-L238 PolarHBondContact O-N 2.04Å; L238-Q240 PolarHBondContact O-N 3.35Å
239P45.3Very low52.3Low95 Ų95113.3 Ų113.362%0.61762%0.615SS**  trans-54.3138.7170.5-25.935.1000111T241P239-T241 PolarHBondContact O-N 3.46Å
240Q42.6Very low51.9Low171 Ų171113.4 Ų113.480%0.79961%0.614SS**G310 helixtrans-70.710.4-167.5-68.7-161.1-24.100115.8L238 I242L238-Q240 PolarHBondContact O-N 3.35Å; Q240-I242 VanDerWaalsContact C-N 3.3Å; Q240-I242 PolarHBondContact O-N 2.91Å
241T47.3Very low50.8Low115 Ų115115.1 Ų115.171%0.70662%0.622SS**G310 helixtrans-73.1-14.4178.947.40000114.5P239P239-T241 PolarHBondContact O-N 3.46Å
242I49Very low49.9Very low101 Ų101113.9 Ų113.952%0.51862%0.622SS.*G310 helixtrans-90.2-16-175.5-61.1178.7000113.1Q240 S244 C245Q240-I242 VanDerWaalsContact C-N 3.3Å; Q240-I242 PolarHBondContact O-N 2.91Å; I242-S244 PolarHBondContact O-N 2.89Å; I242-C245 PolarHBondContact O-N 3.15Å
243L50.2Low49.2Very low134 Ų134116 Ų11670%0.70263%0.631SS**Hα-helixtrans-60.6-30.4179.8-103.8160.3000113.2C245L243-C245 VanDerWaalsContact C-N 3.33Å; L243-C245 PolarHBondContact O-N 2.87Å
244S51.6Low48.6Very low99 Ų99121.3 Ų121.369%0.69264%0.644SS**Hα-helixtrans-73.6-20.2175-167.20000114I242I242-S244 PolarHBondContact O-N 2.89Å
245C47.8Very low47.8Very low68 Ų68118.5 Ų118.546%0.45965%0.647SS.*Hα-helixtrans-83.2-21.4-177.8-66.30000113.1I242 L243 V249I242-C245 PolarHBondContact O-N 3.15Å; L243-C245 VanDerWaalsContact C-N 3.33Å; L243-C245 PolarHBondContact O-N 2.87Å; C245-V249 WeakPolarHBondContact O-CG2 3.45Å
246R45.8Very low47.2Very low176 Ų176119.7 Ų119.766%0.66465%0.65SS**Hα-helixtrans-72.2-43.5-179.6-171.2173.5177.9168.80.9112.2F248 V249 E250R246-F248 VanDerWaalsContact C-N 3.28Å; R246-F248 PolarHBondContact O-N 3.25Å; R246-V249 PolarHBondContact O-N 2.78Å; R246-E250 IonicContact NE-OE1 2.71Å; R246-E250 PolarHBondContact NE-OE1 2.86Å; R246-E250 IonicContact NH2-OE1 2.67Å; R246-E250 PolarHBondContact O-N 2.98Å
247A47.5Very low46.3Very low66 Ų66123.7 Ų123.755%0.54566%0.662SS.*Hα-helixtrans-56-43175.700000112V249 E250 E251A247-V249 PolarHBondContact O-N 2.86Å; A247-E250 PolarHBondContact O-N 2.82Å; A247-E251 PolarHBondContact O-N 3.39Å
248F42.3Very low45.6Very low141 Ų141124.9 Ų124.962%0.61867%0.668SS**Hα-helixtrans-70.2-13.8-177.2-157.6-96.5000114.6R246 V252R246-F248 VanDerWaalsContact C-N 3.28Å; R246-F248 PolarHBondContact O-N 3.25Å; F248-V252 HydrophobicContact CD1-CG2 4.48Å; F248-V252 HydrophobicContact CE1-CG2 4.33Å; F248-V252 VanDerWaalsContact O-CG2 3.23Å; F248-V252 WeakPolarHBondContact O-CG2 3.38Å
249V50.2Low45Very low104 Ų104124.8 Ų124.863%0.6368%0.678SS**Hα-helixtrans-94.2-29178.3174.60000111.9C245 R246 A247C245-V249 WeakPolarHBondContact O-CG2 3.45Å; R246-V249 PolarHBondContact O-N 2.78Å; A247-V249 PolarHBondContact O-N 2.86Å
250E50Low44.3Very low116 Ų116127 Ų12754%0.54269%0.689SS.*Hα-helixtrans-76-41.7176-71.6167.3-171.600110.4R246 A247 V252 M253R246-E250 IonicContact NE-OE1 2.71Å; R246-E250 PolarHBondContact NE-OE1 2.86Å; R246-E250 IonicContact NH2-OE1 2.67Å; R246-E250 PolarHBondContact O-N 2.98Å; A247-E250 PolarHBondContact O-N 2.82Å; E250-V252 VanDerWaalsContact C-N 3.29Å; E250-V252 PolarHBondContact O-N 2.94Å; E250-M253 PolarHBondContact O-N 3.06Å
251E46.7Very low43.6Very low143 Ų143122.2 Ų122.267%0.66869%0.686SS**THydrogen-bonded Turntrans-63.8-27178.2-166.1171.6-14100114.1A247A247-E251 PolarHBondContact O-N 3.39Å
252V51.8Low42.7Very low87 Ų87121 Ų12153%0.52769%0.687SS.*THydrogen-bonded Turntrans-82.5-13.7179.5172.60000112.8F248 E250F248-V252 HydrophobicContact CD1-CG2 4.48Å; F248-V252 HydrophobicContact CE1-CG2 4.33Å; F248-V252 VanDerWaalsContact O-CG2 3.23Å; F248-V252 WeakPolarHBondContact O-CG2 3.38Å; E250-V252 VanDerWaalsContact C-N 3.29Å; E250-V252 PolarHBondContact O-N 2.94Å
253M45.7Very low41.6Very low162 Ų162122.3 Ų122.380%0.79870%0.7SS**SBendtrans-97.5-5.3-175.7-156.3168.966.100114.7E250E250-M253 PolarHBondContact O-N 3.06Å
254E42.6Very low40.5Very low179 Ų179120.8 Ų120.884%0.83670%0.701SS**SBendtrans-95.6-8.1-179.8-159159.7-13900114.1
255T41.2Very low39.5Very low116 Ų116123.3 Ų123.371%0.71271%0.705SS**SBendtrans-99.21.2-17350.80000115.8
256V42.2Very low38.7Very low108 Ų108128.1 Ų128.166%0.65572%0.721SS**SBendtrans-101.1-10.3-172.2179.50000113.9
257H37.4Very low37.9Very low173 Ų173128.2 Ų128.280%0.80173%0.726SS**SBendtrans-128.770.5-176.3-78.1-56.2000115.3
258T32.9Very low36.9Very low142 Ų142129 Ų12987%0.87173%0.733SS**  trans-167.3106.7132.611.30000111.9
259S35.4Very low36.2Very low125 Ų125130 Ų13087%0.87474%0.742SS**  trans-102.681.5177.361.10000112
260V30.3Very low35Very low141 Ų141133.7 Ų133.786%0.85575%0.753SS**  trans-145.2129.8170.9-171.30000110.4
261G27.2Very low34.5Very low70 Ų70134.1 Ų134.172%0.72277%0.766SS**  trans117.295156.400000118.4
262A28.9Very low33.5Very low90 Ų90132.1 Ų132.174%0.74477%0.774SS**  trans45.996.3130.800000121.4
263T26Very low32.4Very low128 Ų128135.2 Ų135.279%0.78579%0.787SS**  48.9129.9119.955.40000123.1
264S28Very low32.1Very low103 Ų103131.9 Ų131.972%0.7278%0.778SS**  104.9126.1126.7-76.90000122.6
265I30.6Very low31.4Very low151 Ų151132.3 Ų132.377%0.77478%0.78SS**  trans84113.5139.7-66.9166.9000119.4
266Q29.8Very low30.6Very low170 Ų170130.4 Ų130.479%0.79478%0.783SS**  35.3134.5124.4-13367.38.900118.1
267K28.3Very low29.9Very low177 Ų177137.2 Ų137.277%0.7780%0.797SS**  -178.4160.754-166.1173.7178.1-177.60110.9
268A27.7Very low29.2Very low83 Ų83132.6 Ų132.669%0.68680%0.796SS**  trans-88.5162.4168.700000112.8
269I27Very low28.9Very low161 Ų161135.8 Ų135.883%0.82680%0.798SS**  trans-177.7158.1134.4-94.8154.5000111.8
270E24.9Very low28.4Very low183 Ų183136.4 Ų136.486%0.85580%0.797SS**  trans-67.1177.5-172.7-91.4-178.3121.400117.7
271P40.5Very low28.1Very low124 Ų124135.8 Ų135.881%0.80580%0.797SS**  trans-99.1168.6-150.739.3-37.9000116.4
272A25.6Very low27.9Very low102 Ų102141.3 Ų141.384%0.84380%0.804SS**  trans-148.1137.5163.700000113.2
273N27.9Very low27.8Very low151 Ų151143.5 Ų143.581%0.80781%0.808SS**  trans-97.6160.1155-155.241.2000105.7
274P40Very low27.8Very low93 Ų93146 Ų14660%0.60481%0.811SS**  cis-146175.333.442.6-21.4000119.1
275E27.2Very low27.6Very low187 Ų187149.1 Ų149.187%0.87482%0.816SS**  trans49.3124.6146.8-72175.411600121.9
276G25.8Very low27.2Very low76 Ų76147.2 Ų147.278%0.78482%0.816SS**  trans15895.8148.700000119.3
277R25.5Very low27.2Very low252 Ų252144.2 Ų144.295%0.95182%0.82SS**  trans57.787.4151.1-169.7178.9-101.9-166.2-5.6118.2
278G23.9Very low27Very low75 Ų75145 Ų14577%0.77383%0.827SS**  trans-82.4-158.9177.100000118.7
279K26.3Very low27Very low209 Ų209149.3 Ų149.391%0.90983%0.832SS**  trans-167.1118.9157.6-107.2177.2-178.1-177.30108.9
280T25.2Very low27.1Very low139 Ų139149.9 Ų149.985%0.85383%0.832SS**  trans-139.4144.1170.2-40.20000107.3
281C24.8Very low27.3Very low127 Ų127144.5 Ų144.586%0.85883%0.826SS**  trans-121.3113-179.2-64.40000110.5
282E22.6Very low27.3Very low186 Ų186145.2 Ų145.287%0.86983%0.83SS**  trans-131.1136.1158.9-72-173.3121.700107.8
283V25.4Very low27.4Very low136 Ų136145.2 Ų145.282%0.82483%0.83SS**  trans-139.8124.6163.9177.90000107.6M285V283-M285 HydrophobicContact CG1-CG 4.47Å
284Q25.7Very low27.5Very low181 Ų181143.1 Ų143.185%0.84683%0.834SS**  trans-100.8142.7174176.5178.6-29.600108.8
285M25.4Very low27Very low169 Ų169148.3 Ų148.383%0.83385%0.85SS**  trans-135121.7174.6-81.7175.758.100111.6V283V283-M285 HydrophobicContact CG1-CG 4.47Å
286S22.6Very low27Very low110 Ų110143.2 Ų143.277%0.76985%0.848SS**  trans-81.5165.3152.1-57.10000109.4
287A28.6Very low27.1Very low107 Ų107149.6 Ų149.688%0.88485%0.848SS**  trans-130.5143.6167.400000109.9
288E25.5Very low27.3Very low195 Ų195144 Ų14491%0.91183%0.833SS**  trans-124.4175.4-173.8-155.5164.2100.700110.6
289Q27.1Very low27.5Very low172 Ų172147.2 Ų147.280%0.80483%0.832SS**  trans-89153.8-167.9-59.9164.5-30.200112.5
290Q29Very low27.7Very low173 Ų173144.4 Ų144.481%0.80883%0.827SS**  168.3122.4115.6-138.172-19.300114.6
291G28.7Very low28Very low71 Ų71143.9 Ų143.973%0.73282%0.823SS**  trans64.4-179.7153.400000119.5
292P41.2Very low28.2Very low138 Ų138145.4 Ų145.490%0.89682%0.823SS**  cis-108.1-165.7-3.441.6-31.6000113.1
293A27.3Very low28.5Very low102 Ų102139 Ų13984%0.84381%0.807SS**  trans-135.8150.7-177.300000113.9
294A30.5Very low28.8Very low108 Ų108139.6 Ų139.689%0.89381%0.811SS**  trans-159.5158.9163.700000112.7
295H27.8Very low29.1Very low202 Ų202138.2 Ų138.294%0.93581%0.808SS**  trans-52.9153.2-171-75.1-31.6000119.9
296G27.6Very low29.5Very low80 Ų80139.6 Ų139.683%0.82581%0.812SS**  trans-165.8149.5152.100000109.8
297R28.2Very low29.9Very low210 Ų210141.3 Ų141.379%0.79281%0.813SS**  trans-152.1166177.9-150.6-158.4-66.1125.2-9109.7
298E29.9Very low30Very low134 Ų134141.2 Ų141.263%0.62681%0.806SS**  trans68.1160.9169.8-61138.4-140.200114.7
299D29.3Very low30.3Very low142 Ų142138.6 Ų138.676%0.75980%0.797SS**  cis-161.1163.5-48.7-95.7-29.6000107.9
300D29.1Very low30.4Very low151 Ų151137.8 Ų137.881%0.80780%0.799SS**  trans53.9133.8152.3-88.4-30.9000124.8
301V32.5Very low30.3Very low128 Ų128136.6 Ų136.678%0.77680%0.796SS**  trans89.7132.6130.5167.90000123.5
302D29.2Very low30.2Very low159 Ų159142 Ų14285%0.8580%0.802SS**  trans73.2124.8156.3-148.528.6000124.2
303G28Very low29.6Very low52 Ų52141 Ų14154%0.53679%0.793SS.*  76100.8117.200000121.4
304T31.5Very low29.5Very low147 Ų147140.6 Ų140.690%0.90278%0.784SS**  -179.2151.6102.2-72.10000110.9
305I31.9Very low29.6Very low152 Ų152141.5 Ų141.578%0.77978%0.778SS**  trans-90.5133.6-177.5-59.6162.4000110.8
306E34.1Very low29.5Very low199 Ų199139.7 Ų139.793%0.9377%0.77SS**  trans-148.4157141.8-135170.2-150.800111.3
307N31.6Very low29.8Very low145 Ų145141.7 Ų141.778%0.77577%0.769SS**  trans-115.5122.5-151.2-153.263000112.8
308S31Very low29.6Very low106 Ų106140.5 Ų140.574%0.74177%0.774SS**  trans-143.2148.5165.5-171.70000110
309L31.8Very low29.5Very low139 Ų139138.9 Ų138.973%0.72878%0.778SS**  trans-97.8125-178.7-6986.3000110.9
310D27.5Very low29.3Very low156 Ų156139.3 Ų139.383%0.83477%0.773SS**  trans-123.4135.5159.3-80-61.6000109.2
311I28.2Very low29Very low148 Ų148137.9 Ų137.976%0.75977%0.773SS**  trans-122.190.4175.1-59.7-179.7000107.7V313I311-V313 HydrophobicContact CG2-CG2 4.13Å
312E26.9Very low28.7Very low184 Ų184138.8 Ų138.886%0.8677%0.769SS**  trans-87.6126.8170.4-168.9179.2162.100109.8
313V27.7Very low28.7Very low117 Ų117139.3 Ų139.371%0.70977%0.772SS**  trans-111.195.9179.3-1780000109.5I311I311-V313 HydrophobicContact CG2-CG2 4.13Å
314S26.2Very low28.5Very low93 Ų93144.7 Ų144.765%0.6578%0.783SS**  trans-79.2142.9170-174.90000111
315V31Very low28.1Very low127 Ų127144.3 Ų144.377%0.7777%0.769SS**  trans-117.4108.9-175.8-179.20000110.3
316H26.6Very low27.7Very low165 Ų165147 Ų14776%0.76477%0.769SS**  trans-97.1140.3165.9-83.8-86.8000110.9
317P32.9Very low27.4Very low122 Ų122141.7 Ų141.779%0.79276%0.759SS**  trans-76146.6173.532.4-34.3000111.1
318M24.8Very low27.3Very low185 Ų185143.5 Ų143.591%0.91176%0.763SS**  trans-122.9148176.7-109.6-64.8-171.300111.9
319S26.9Very low27.1Very low100 Ų100141.7 Ų141.770%0.69976%0.761SS**  trans-103161.8-173.552.60000113.7
320K25.6Very low26.9Very low151 Ų151143.3 Ų143.366%0.65777%0.77SS**  trans-37.8138168.8-176.3-158.6-178.3-143.30114.4E322K320-E322 WeakPolarHBondContact CE-OE1 3.38Å; K320-E322 IonicContact NZ-OE1 2.68Å; K320-E322 PolarHBondContact NZ-OE1 2.86Å; K320-E322 IonicContact NZ-OE2 3.73Å; K320-E322 PolarHBondContact NZ-OE2 2.65Å
321C23.8Very low27.1Very low120 Ų120144.4 Ų144.481%0.81177%0.771SS**  trans-129.4161.2153.8-75.40000111.2
322E26.6Very low27.2Very low147 Ų147142.8 Ų142.869%0.68777%0.768SS**  trans-121.8164.5170.1-71.8153.1148.100107.3K320K320-E322 WeakPolarHBondContact CE-OE1 3.38Å; K320-E322 IonicContact NZ-OE1 2.68Å; K320-E322 PolarHBondContact NZ-OE1 2.86Å; K320-E322 IonicContact NZ-OE2 3.73Å; K320-E322 PolarHBondContact NZ-OE2 2.65Å
323D27.5Very low27.2Very low171 Ų171139.8 Ų139.891%0.91477%0.767SS**  trans-165.6163.5164.8-102.2-36.5000113.9
324E25.5Very low27.3Very low165 Ų165140.1 Ų140.177%0.77177%0.769SS**  trans-109.7136.4-174.4-65.1-168.792.800111.9
325K22.7Very low27.9Very low138 Ų138140.2 Ų140.260%0.677%0.767SS**  77.4143.682.2-144-174.9177.4-164.60113.7
326W23.6Very low27.8Very low210 Ų210142.1 Ų142.180%0.79577%0.77SS**  cis-118.7-115.717.6-5764.5000113
327A27.4Very low27.9Very low87 Ų87142.2 Ų142.272%0.71978%0.775SS**  cis-160.3176.90.700000111.6
328E28.4Very low27.8Very low183 Ų183139.6 Ų139.686%0.85577%0.771SS**  trans-82.6168.7-178.9-59.696.913000115.6
329G27.6Very low28.4Very low68 Ų68137 Ų13770%0.70177%0.767SS**  cis-150.4-173.41.300000110.4
330D27.3Very low28.4Very low172 Ų172138.9 Ų138.992%0.9278%0.779SS**  cis-141.7-179.222.9-83.5-30.3000113.4
331E31.2Very low28.6Very low180 Ų180136.9 Ų136.984%0.84178%0.784SS**  trans-71.8171.2-176.4-40.7179.860.200115.4
332V30.8Very low29Very low114 Ų114137.1 Ų137.169%0.69179%0.787SS**  cis-149.7150.16.476.70000111.4V334V332-V334 HydrophobicContact CG2-CG2 4.37Å
333S27.1Very low29.1Very low121 Ų121133.9 Ų133.985%0.84679%0.793SS**  trans-165.3160.7153.642.80000112.6
334V30.1Very low29.3Very low123 Ų123131.6 Ų131.675%0.74579%0.79SS**  trans-165.8142.9-140.7147.50000109.2V332V332-V334 HydrophobicContact CG2-CG2 4.37Å
335P38.4Very low29.5Very low96 Ų96130.6 Ų130.662%0.62380%0.795SS**  cis-139174.7-29.141.3-24.6000113.4
336M28.1Very low29.8Very low167 Ų167128.2 Ų128.282%0.82380%0.801SS**  179.8159.4118.5-96.7-58.6168.500112
337L29.7Very low30.1Very low166 Ų166128.9 Ų128.987%0.86981%0.805SS**  trans-85.9158.7-164.2-69.2100.3000115.4
338G30.7Very low30.2Very low68 Ų68133.7 Ų133.770%0.70181%0.813SS**  trans-88.7-160.7-177.700000116
339P37.4Very low30.2Very low130 Ų130130.6 Ų130.684%0.84481%0.811SS**  trans-84.4158.6-162.933.6-37000115.1
340C27.1Very low30.3Very low139 Ų139132.9 Ų132.994%0.93982%0.815SS**  trans-127.3167.2162.6-87.30000110.4
341S30.1Very low30.7Very low109 Ų109136.2 Ų136.276%0.76283%0.831SS**  trans-112.7167-152.651.10000115.8
342S32Very low30.7Very low125 Ų125134 Ų13487%0.87483%0.83SS**  trans68.3121.8157-60.20000119
343G29Very low30.7Very low79 Ų79135.1 Ų135.181%0.81484%0.837SS**  trans-167.794.4169.500000111.8
344S31.2Very low30.9Very low123 Ų123135.8 Ų135.886%0.8684%0.837SS**  trans-85.4134.3175.752.80000111.6
345V30.1Very low30.9Very low145 Ų145136.6 Ų136.688%0.87984%0.842SS**  trans-130.9145.8172.6-176.80000109.5
346A28.8Very low30.4Very low88 Ų88139.1 Ų139.173%0.72786%0.856SS**PPolyproline II helixtrans-77.4167.1-174.700000113.4
347Y29.6Very low30.6Very low223 Ų223137.3 Ų137.388%0.87586%0.858SS**PPolyproline II helixtrans-81.8128.3164.454.2-87.8000109.5
348E28.6Very low30.7Very low188 Ų188135.2 Ų135.288%0.87986%0.857SS**PPolyproline II helixtrans-103.3137.1172.6-160.3167.917600108.8
349S30.4Very low30.6Very low118 Ų118140.4 Ų140.483%0.82587%0.869SS**PPolyproline II helixtrans-99.7124.1-172.9-166.70000110.5
350C28.1Very low30.1Very low116 Ų116141.3 Ų141.378%0.78487%0.872SS**  trans-108.5108.1-178.2-80.40000112.3
351I36Very low30.4Very low242 Ų242141.5 Ų141.5100%1.24187%0.865SS**  trans70.40160.2-45-179.6000115.5

Retrieved 351 of 351 residues in 795 ms (Link to these results)