A0A060W265_ONCMY Loading...

Calcium homeostasis modulator protein 2

AlphaFold DB , UniProt , Accession A0A060W265, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 319 aa.

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

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
1M44.8Very low48.7Very low212 Ų212122.2 Ų122.2100%1.04464%0.642SS**  0-34.70-109.4-177.1-83.500113.9I5M1-I5 WeakPolarHBondContact O-CG1 3.13Å
2A48.5Very low48.8Very low76 Ų76117.5 Ų117.563%0.62862%0.622SS**Hα-helixtrans-71.9-2917900000115.5T6A2-T6 PolarHBondContact O-N 2.82Å; A2-T6 PolarHBondContact O-OG1 3.21Å
3A47.9Very low48.6Very low76 Ų76112.6 Ų112.663%0.62860%0.603SS**Hα-helixtrans-70.9-37.9179.700000113.1T6 E7A3-T6 PolarHBondContact O-N 2.89Å; A3-E7 PolarHBondContact O-N 3.1Å
4L46Very low48.8Very low119 Ų119113.1 Ų113.162%0.62360%0.604SS**Hα-helixtrans-72.9-32.1-178.2-132.1144.4000112N8L4-N8 WeakPolarHBondContact O-CB 3.39Å; L4-N8 VanDerWaalsContact O-CG 3.26Å; L4-N8 PolarHBondContact O-N 3.46Å; L4-N8 VanDerWaalsContact O-N 3.09Å; L4-N8 PolarHBondContact O-ND2 2.78Å
5I50.1Low48.7Very low113 Ų113113.9 Ų113.958%0.57960%0.601SS**Hα-helixtrans-71-37.8173.4-61.7171000110.4M1 F9M1-I5 WeakPolarHBondContact O-CG1 3.13Å; I5-F9 WeakPolarHBondContact O-CB 3.47Å; I5-F9 PolarHBondContact O-N 3.42Å
6T49.1Very low48.7Very low87 Ų87114.8 Ų114.853%0.53460%0.598SS.*Hα-helixtrans-71-38179.4-52.70000112A2 A3 F9 K10A2-T6 PolarHBondContact O-N 2.82Å; A2-T6 PolarHBondContact O-OG1 3.21Å; A3-T6 PolarHBondContact O-N 2.89Å; T6-F9 PolarHBondContact O-N 3.48Å; T6-K10 WeakPolarHBondContact O-CB 3.33Å; T6-K10 PolarHBondContact O-N 2.82Å
7E51.7Low48.5Very low143 Ų143118.4 Ų118.467%0.66861%0.608SS**Hα-helixtrans-69.3-40.7173.4-75.5-165155.600112.5A3 F9 K10 F11A3-E7 PolarHBondContact O-N 3.1Å; E7-F9 VanDerWaalsContact C-N 3.33Å; E7-F9 PolarHBondContact O-N 3.42Å; E7-K10 PolarHBondContact O-N 3.4Å; E7-F11 WeakPolarHBondContact O-CB 3.42Å; E7-F11 PolarHBondContact O-N 3.45Å
8N47Very low48.7Very low93 Ų93114.2 Ų114.250%0.49759%0.591SS.*Hα-helixtrans-63.7-38.7173.5-75.8-24.3000111.6L4 F11 V12L4-N8 WeakPolarHBondContact O-CB 3.39Å; L4-N8 VanDerWaalsContact O-CG 3.26Å; L4-N8 PolarHBondContact O-N 3.46Å; L4-N8 VanDerWaalsContact O-N 3.09Å; L4-N8 PolarHBondContact O-ND2 2.78Å; N8-F11 PolarHBondContact O-N 3.32Å; N8-V12 WeakPolarHBondContact O-CB 3.43Å; N8-V12 WeakPolarHBondContact O-CG2 3.23Å; N8-V12 PolarHBondContact O-N 2.88Å
9F54.3Low49Very low152 Ų152116.7 Ų116.767%0.66760%0.597SS**Hα-helixtrans-70.4-33.7175.5-148-91.7000112.3I5 T6 E7 S13I5-F9 WeakPolarHBondContact O-CB 3.47Å; I5-F9 PolarHBondContact O-N 3.42Å; T6-F9 PolarHBondContact O-N 3.48Å; E7-F9 VanDerWaalsContact C-N 3.33Å; E7-F9 PolarHBondContact O-N 3.42Å; F9-S13 WeakPolarHBondContact O-CB 3.42Å; F9-S13 PolarHBondContact O-N 2.84Å; F9-S13 PolarHBondContact O-OG 3.38Å
10K48.6Very low49.2Very low145 Ų145117.1 Ų117.163%0.6360%0.6SS**Hα-helixtrans-66-43.4170.6-112.4177.3177.5176.70111.8T6 E7 S13 L14T6-K10 WeakPolarHBondContact O-CB 3.33Å; T6-K10 PolarHBondContact O-N 2.82Å; E7-K10 PolarHBondContact O-N 3.4Å; K10-S13 PolarHBondContact O-N 2.9Å; K10-S13 PolarHBondContact O-OG 2.8Å; K10-L14 WeakPolarHBondContact O-CB 3.24Å; K10-L14 PolarHBondContact O-N 3.38Å
11F48.2Very low49.4Very low128 Ų128113.7 Ų113.756%0.56159%0.585SS**Hα-helixtrans-67.4-42.2178.5-161.9-92.9000111.8E7 N8 L14 F15E7-F11 WeakPolarHBondContact O-CB 3.42Å; E7-F11 PolarHBondContact O-N 3.45Å; N8-F11 PolarHBondContact O-N 3.32Å; F11-L14 PolarHBondContact O-N 3.05Å; F11-F15 HydrophobicContact CD1-CD2 4.15Å; F11-F15 HydrophobicContact CD1-CE2 4.48Å; F11-F15 AromaticContact CE1-CD2 3.83Å; F11-F15 HydrophobicContact CE1-CD2 3.83Å; F11-F15 AromaticContact CE1-CE2 3.71Å; F11-F15 HydrophobicContact CE1-CE2 3.71Å; F11-F15 HydrophobicContact CZ-CE2 4.18Å; F11-F15 PolarHBondContact O-N 3.03Å
12V49.8Very low50Low66 Ų66109.3 Ų109.340%0.456%0.563SS.*Hα-helixtrans-64.3-45.3172.8169.10000110.2N8 L14 F15 F16N8-V12 WeakPolarHBondContact O-CB 3.43Å; N8-V12 WeakPolarHBondContact O-CG2 3.23Å; N8-V12 PolarHBondContact O-N 2.88Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 PolarHBondContact O-N 3.31Å; V12-F15 WeakPolarHBondContact O-CB 3.46Å; V12-F15 PolarHBondContact O-N 3.41Å; V12-F16 HydrophobicContact CG1-CD2 3.51Å; V12-F16 HydrophobicContact CG1-CE2 3.55Å; V12-F16 WeakPolarHBondContact O-CD2 3.35Å; V12-F16 PolarHBondContact O-N 3.05Å
13S45.9Very low50.5Low54 Ų54110.2 Ų110.238%0.37856%0.556SS.*Hα-helixtrans-65.9-30.9175.178.80000113.1F9 K10 F16 K17F9-S13 WeakPolarHBondContact O-CB 3.42Å; F9-S13 PolarHBondContact O-N 2.84Å; F9-S13 PolarHBondContact O-OG 3.38Å; K10-S13 PolarHBondContact O-N 2.9Å; K10-S13 PolarHBondContact O-OG 2.8Å; S13-F16 CarbonylContact O-C 3.52Å; S13-F16 PolarHBondContact O-N 3.15Å; S13-K17 VanDerWaalsContact O-CB 3.24Å; S13-K17 WeakPolarHBondContact O-CB 3.43Å; S13-K17 PolarHBondContact O-N 3.07Å
14L51.3Low51Low119 Ų119112.6 Ų112.662%0.62355%0.553SS**Hα-helixtrans-68.4-37.9172.7-91.4155.7000111.7K10 F11 V12K10-L14 WeakPolarHBondContact O-CB 3.24Å; K10-L14 PolarHBondContact O-N 3.38Å; F11-L14 PolarHBondContact O-N 3.05Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 PolarHBondContact O-N 3.31Å
15F47.3Very low51.6Low126 Ų126110.7 Ų110.755%0.55354%0.543SS*.Hα-helixtrans-65.6-39.8171-110.4-90.1000112.2F11 V12F11-F15 HydrophobicContact CD1-CD2 4.15Å; F11-F15 HydrophobicContact CD1-CE2 4.48Å; F11-F15 AromaticContact CE1-CD2 3.83Å; F11-F15 HydrophobicContact CE1-CD2 3.83Å; F11-F15 AromaticContact CE1-CE2 3.71Å; F11-F15 HydrophobicContact CE1-CE2 3.71Å; F11-F15 HydrophobicContact CZ-CE2 4.18Å; F11-F15 PolarHBondContact O-N 3.03Å; V12-F15 WeakPolarHBondContact O-CB 3.46Å; V12-F15 PolarHBondContact O-N 3.41Å
16F48.1Very low52.4Low128 Ų128106.8 Ų106.856%0.56153%0.531SS*.Hα-helixtrans-86.2-5.9179.6-73.7-66.5000114.7V12 S13V12-F16 HydrophobicContact CG1-CD2 3.51Å; V12-F16 HydrophobicContact CG1-CE2 3.55Å; V12-F16 WeakPolarHBondContact O-CD2 3.35Å; V12-F16 PolarHBondContact O-N 3.05Å; S13-F16 CarbonylContact O-C 3.52Å; S13-F16 PolarHBondContact O-N 3.15Å
17K45.5Very low53.1Low176 Ų176107.9 Ų107.977%0.76553%0.533SS*.THydrogen-bonded Turntrans-78.6-17.9179.5-144.3174.1179.1179.70113.6S13 K19S13-K17 VanDerWaalsContact O-CB 3.24Å; S13-K17 WeakPolarHBondContact O-CB 3.43Å; S13-K17 PolarHBondContact O-N 3.07Å; K17-K19 PolarHBondContact O-N 3.17Å
18S51.7Low53.9Low42 Ų42105 Ų10529%0.29452%0.522SS..  trans-82112.8173.566.50000108.5D20 V21S18-D20 PolarHBondContact O-N 3.2Å; S18-V21 PolarHBondContact O-N 3.27Å; S18-V21 VanDerWaalsContact O-N 3.07Å; S18-V21 VanDerWaalsContact OG-CB 3.32Å; S18-V21 WeakPolarHBondContact OG-CB 3.37Å; S18-V21 WeakPolarHBondContact OG-CG2 3.33Å; S18-V21 PolarHBondContact OG-N 3Å
19K54.7Low54.8Low163 Ų163103.3 Ų103.371%0.70952%0.52SS*.Hα-helixtrans-47.5-32.1171.5-83.7178.8171.3175.80111K17 I23K17-K19 PolarHBondContact O-N 3.17Å; K19-I23 HydrophobicContact CB-CD1 4.39Å; K19-I23 WeakPolarHBondContact O-CB 3.04Å; K19-I23 VanDerWaalsContact O-CD1 3.27Å; K19-I23 WeakPolarHBondContact O-CD1 2.98Å; K19-I23 WeakPolarHBondContact O-CG1 3.42Å; K19-I23 PolarHBondContact O-N 3.23Å
20D53.4Low55.3Low124 Ų124102.1 Ų102.166%0.66352%0.52SS*.Hα-helixtrans-65.8-38.7-179.4-53.8-42.1000114S18 F24S18-D20 PolarHBondContact O-N 3.2Å; D20-F24 WeakPolarHBondContact O-CB 3.2Å; D20-F24 PolarHBondContact O-N 3.37Å
21V54.2Low56.1Low46 Ų4696.7 Ų96.728%0.27951%0.506SS..Hα-helixtrans-76.7-36.5-178.8172.70000111.9S18 F24 N25S18-V21 PolarHBondContact O-N 3.27Å; S18-V21 VanDerWaalsContact O-N 3.07Å; S18-V21 VanDerWaalsContact OG-CB 3.32Å; S18-V21 WeakPolarHBondContact OG-CB 3.37Å; S18-V21 WeakPolarHBondContact OG-CG2 3.33Å; S18-V21 PolarHBondContact OG-N 3Å; V21-F24 PolarHBondContact O-N 2.66Å; V21-N25 WeakPolarHBondContact O-CB 3.26Å; V21-N25 VanDerWaalsContact O-CG 3.28Å; V21-N25 PolarHBondContact O-N 2.71Å; V21-N25 PolarHBondContact O-ND2 3.11Å
22M55.9Low57.1Low120 Ų12094 Ų9459%0.59150%0.5SS*.Hα-helixtrans-68-41.1173.5-177.4178.36500111.4G26M22-G26 PolarHBondContact O-N 2.9Å
23I59.4Low57.6Low94 Ų9495.1 Ų95.148%0.48251%0.506SS..Hα-helixtrans-63.3-43.8173.3-69.8165.9000110.1K19 G26 L27K19-I23 HydrophobicContact CB-CD1 4.39Å; K19-I23 WeakPolarHBondContact O-CB 3.04Å; K19-I23 VanDerWaalsContact O-CD1 3.27Å; K19-I23 WeakPolarHBondContact O-CD1 2.98Å; K19-I23 WeakPolarHBondContact O-CG1 3.42Å; K19-I23 PolarHBondContact O-N 3.23Å; I23-G26 PolarHBondContact O-N 3.15Å; I23-L27 HydrophobicContact CG2-CD1 3.78Å; I23-L27 HydrophobicContact CG2-CG 4.25Å; I23-L27 WeakPolarHBondContact O-CB 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.24Å; I23-L27 PolarHBondContact O-N 2.75Å
24F58.5Low58.2Low127 Ų12794.9 Ų94.956%0.55751%0.508SS*.Hα-helixtrans-63-48178.8-175.2-106.2000112.6D20 V21 G26 L27 I28D20-F24 WeakPolarHBondContact O-CB 3.2Å; D20-F24 PolarHBondContact O-N 3.37Å; V21-F24 PolarHBondContact O-N 2.66Å; F24-G26 VanDerWaalsContact C-N 3.34Å; F24-G26 PolarHBondContact O-N 2.9Å; F24-L27 PolarHBondContact O-N 2.57Å; F24-I28 HydrophobicContact CD1-CD1 3.64Å; F24-I28 HydrophobicContact CE1-CD1 3.29Å; F24-I28 HydrophobicContact CE1-CG1 4.42Å; F24-I28 HydrophobicContact CE2-CD1 4.38Å; F24-I28 HydrophobicContact CG-CD1 4.34Å; F24-I28 HydrophobicContact CZ-CD1 3.71Å; F24-I28 WeakPolarHBondContact O-CG1 3.38Å; F24-I28 PolarHBondContact O-N 2.97Å
25N59.9Low58.6Low78 Ų7892.7 Ų92.742%0.41750%0.502SS..Hα-helixtrans-66.3-36.4176.8-70.1-22.6000112V21 I28 A29V21-N25 WeakPolarHBondContact O-CB 3.26Å; V21-N25 VanDerWaalsContact O-CG 3.28Å; V21-N25 PolarHBondContact O-N 2.71Å; V21-N25 PolarHBondContact O-ND2 3.11Å; N25-I28 PolarHBondContact O-N 2.87Å; N25-A29 WeakPolarHBondContact O-CB 3.18Å; N25-A29 PolarHBondContact O-N 3.09Å
26G65.2Low59.1Low31 Ų3193 Ų9332%0.3251%0.506SS..Hα-helixtrans-63.7-43.1172.500000112.7M22 I23 F24 A29 L30M22-G26 PolarHBondContact O-N 2.9Å; I23-G26 PolarHBondContact O-N 3.15Å; F24-G26 VanDerWaalsContact C-N 3.34Å; F24-G26 PolarHBondContact O-N 2.9Å; G26-A29 PolarHBondContact O-N 2.86Å; G26-L30 WeakPolarHBondContact O-CB 3.36Å; G26-L30 PolarHBondContact O-N 3.18Å
27L65.1Low59.5Low111 Ų11190.7 Ų90.758%0.58150%0.502SS*.Hα-helixtrans-65-37.1174.5-75.9170.4000112.2I23 F24 G31I23-L27 HydrophobicContact CG2-CD1 3.78Å; I23-L27 HydrophobicContact CG2-CG 4.25Å; I23-L27 WeakPolarHBondContact O-CB 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.24Å; I23-L27 PolarHBondContact O-N 2.75Å; F24-L27 PolarHBondContact O-N 2.57Å; L27-G31 WeakPolarHBondContact O-CA 3.23Å; L27-G31 PolarHBondContact O-N 3Å
28I68Low60Low83 Ų8387.5 Ų87.543%0.42649%0.491SS..Hα-helixtrans-65.8-45.4173.8-71169.1000110.7F24 N25 G31 T32F24-I28 HydrophobicContact CD1-CD1 3.64Å; F24-I28 HydrophobicContact CE1-CD1 3.29Å; F24-I28 HydrophobicContact CE1-CG1 4.42Å; F24-I28 HydrophobicContact CE2-CD1 4.38Å; F24-I28 HydrophobicContact CG-CD1 4.34Å; F24-I28 HydrophobicContact CZ-CD1 3.71Å; F24-I28 WeakPolarHBondContact O-CG1 3.38Å; F24-I28 PolarHBondContact O-N 2.97Å; N25-I28 PolarHBondContact O-N 2.87Å; I28-G31 PolarHBondContact O-N 3.39Å; I28-T32 WeakPolarHBondContact O-CB 3.4Å; I28-T32 PolarHBondContact O-N 3.16Å; I28-T32 PolarHBondContact O-OG1 2.86Å
29A66Low60Low56 Ų5691.1 Ų91.146%0.46350%0.499SS..Hα-helixtrans-64.7-49179.100000111.8N25 G26 G31 T32 V33N25-A29 WeakPolarHBondContact O-CB 3.18Å; N25-A29 PolarHBondContact O-N 3.09Å; G26-A29 PolarHBondContact O-N 2.86Å; A29-G31 VanDerWaalsContact C-N 3.32Å; A29-G31 PolarHBondContact O-N 3.14Å; A29-T32 PolarHBondContact O-N 3.09Å; A29-V33 WeakPolarHBondContact O-CG2 3.36Å; A29-V33 PolarHBondContact O-N 3.14Å
30L63.9Low59.9Low127 Ų12789.6 Ų89.667%0.66550%0.499SS*.Hα-helixtrans-58.7-43.6172.5-92.4152.7000111.5G26 T32 V33 A34G26-L30 WeakPolarHBondContact O-CB 3.36Å; G26-L30 PolarHBondContact O-N 3.18Å; L30-T32 VanDerWaalsContact C-N 3.3Å; L30-T32 PolarHBondContact O-N 3.32Å; L30-V33 PolarHBondContact O-N 3.45Å; L30-A34 WeakPolarHBondContact O-CB 3.35Å; L30-A34 PolarHBondContact O-N 2.77Å
31G66Low59.9Low32 Ų3289.8 Ų89.833%0.3350%0.498SS..Hα-helixtrans-61-38.917700000112.1L27 I28 A29 S35L27-G31 WeakPolarHBondContact O-CA 3.23Å; L27-G31 PolarHBondContact O-N 3Å; I28-G31 PolarHBondContact O-N 3.39Å; A29-G31 VanDerWaalsContact C-N 3.32Å; A29-G31 PolarHBondContact O-N 3.14Å; G31-S35 WeakPolarHBondContact O-CB 3.41Å; G31-S35 PolarHBondContact O-N 2.87Å; G31-S35 PolarHBondContact O-OG 2.86Å
32T68.8Low60.3Low71 Ų7194.2 Ų94.244%0.43651%0.514SS..Hα-helixtrans-69.2-47179-54.50000111.3I28 A29 L30 S35 Q36I28-T32 WeakPolarHBondContact O-CB 3.4Å; I28-T32 PolarHBondContact O-N 3.16Å; I28-T32 PolarHBondContact O-OG1 2.86Å; A29-T32 PolarHBondContact O-N 3.09Å; L30-T32 VanDerWaalsContact C-N 3.3Å; L30-T32 PolarHBondContact O-N 3.32Å; T32-S35 PolarHBondContact O-N 3.4Å; T32-Q36 WeakPolarHBondContact O-CG 3.44Å; T32-Q36 PolarHBondContact O-N 3.23Å
33V60.5Low60.9Low89 Ų8991 Ų9154%0.53951%0.507SS..Hα-helixtrans-66.1-43.5178.11760000111A29 L30 S35 Q36 T37A29-V33 WeakPolarHBondContact O-CG2 3.36Å; A29-V33 PolarHBondContact O-N 3.14Å; L30-V33 PolarHBondContact O-N 3.45Å; V33-S35 VanDerWaalsContact C-N 3.31Å; V33-S35 PolarHBondContact O-N 3.48Å; V33-Q36 PolarHBondContact O-N 3.16Å; V33-T37 WeakPolarHBondContact O-CB 3.44Å; V33-T37 PolarHBondContact O-N 3.44Å; V33-T37 PolarHBondContact O-OG1 2.99Å
34A59Low62Low49 Ų4988.7 Ų88.741%0.40549%0.493SS..Hα-helixtrans-63.5-38.9174.900000111.3L30 T37 M38L30-A34 WeakPolarHBondContact O-CB 3.35Å; L30-A34 PolarHBondContact O-N 2.77Å; A34-T37 PolarHBondContact O-N 2.73Å; A34-M38 VanDerWaalsContact O-CB 3.25Å; A34-M38 WeakPolarHBondContact O-CB 3.28Å; A34-M38 WeakPolarHBondContact O-CG 3.45Å; A34-M38 PolarHBondContact O-N 3.39Å
35S59.5Low63.5Low74 Ų7488.5 Ų88.552%0.51750%0.498SS..Hα-helixtrans-65.2-44.4177.4-66.80000112G31 T32 V33 T37 M38 Y39G31-S35 WeakPolarHBondContact O-CB 3.41Å; G31-S35 PolarHBondContact O-N 2.87Å; G31-S35 PolarHBondContact O-OG 2.86Å; T32-S35 PolarHBondContact O-N 3.4Å; V33-S35 VanDerWaalsContact C-N 3.31Å; V33-S35 PolarHBondContact O-N 3.48Å; S35-T37 VanDerWaalsContact C-N 3.34Å; S35-M38 PolarHBondContact O-N 3.17Å; S35-Y39 WeakPolarHBondContact O-CB 3.35Å; S35-Y39 PolarHBondContact O-N 3.07Å
36Q58.1Low64.9Low132 Ų13285.9 Ų85.962%0.61749%0.486SS*.Hα-helixtrans-62.7-41.8175.8-73.7179-14.900111.8T32 V33 Y39T32-Q36 WeakPolarHBondContact O-CG 3.44Å; T32-Q36 PolarHBondContact O-N 3.23Å; V33-Q36 PolarHBondContact O-N 3.16Å; Q36-Y39 PolarHBondContact O-N 3.44Å
37T55.4Low66.2Low80 Ų8087.2 Ų87.249%0.49149%0.489SS..Hα-helixtrans-70.6-40.2179.6-45.80000111.7V33 A34 S35 Y39 N40 I41V33-T37 WeakPolarHBondContact O-CB 3.44Å; V33-T37 PolarHBondContact O-N 3.44Å; V33-T37 PolarHBondContact O-OG1 2.99Å; A34-T37 PolarHBondContact O-N 2.73Å; S35-T37 VanDerWaalsContact C-N 3.34Å; T37-Y39 VanDerWaalsContact C-N 3.33Å; T37-Y39 PolarHBondContact O-N 3.48Å; T37-N40 PolarHBondContact O-N 3.46Å; T37-I41 HydrophobicContact CG2-CD1 4.15Å; T37-I41 PolarHBondContact O-N 3.3Å
38M55.9Low67.4Low109 Ų10982.6 Ų82.654%0.53747%0.466SS..Hα-helixtrans-65.3-34174.5-84.3-174.8161.600112.6A34 S35 N40 I41 F42A34-M38 VanDerWaalsContact O-CB 3.25Å; A34-M38 WeakPolarHBondContact O-CB 3.28Å; A34-M38 WeakPolarHBondContact O-CG 3.45Å; A34-M38 PolarHBondContact O-N 3.39Å; S35-M38 PolarHBondContact O-N 3.17Å; M38-N40 PolarHBondContact O-N 3.35Å; M38-I41 PolarHBondContact O-N 3.11Å; M38-F42 HydrophobicContact CB-CD2 3.98Å; M38-F42 HydrophobicContact CB-CE2 4.42Å; M38-F42 HydrophobicContact CE-CE2 4.15Å; M38-F42 HydrophobicContact CG-CD2 4Å; M38-F42 HydrophobicContact CG-CE2 3.92Å; M38-F42 WeakPolarHBondContact O-CB 3.24Å; M38-F42 WeakPolarHBondContact O-CD2 3.4Å; M38-F42 PolarHBondContact O-N 2.92Å; M38-F42 HydrophobicContact SD-CE2 4.39Å
39Y52.4Low68.4Low118 Ų11880.8 Ų80.846%0.46346%0.461SS..Hα-helixtrans-60.7-34.1-179.2-160.7-97.9000112.5S35 Q36 T37 A43S35-Y39 WeakPolarHBondContact O-CB 3.35Å; S35-Y39 PolarHBondContact O-N 3.07Å; Q36-Y39 PolarHBondContact O-N 3.44Å; T37-Y39 VanDerWaalsContact C-N 3.33Å; T37-Y39 PolarHBondContact O-N 3.48Å; Y39-A43 PolarHBondContact O-N 3.33Å
40N52.8Low69.4Low131 Ų13180.7 Ų80.770%0.70146%0.456SS*.Hα-helixtrans-82.8-33.1176.9-72.6-12.2000113.5T37 M38T37-N40 PolarHBondContact O-N 3.46Å; M38-N40 PolarHBondContact O-N 3.35Å
41I53.7Low70.5Confident127 Ų12776.5 Ų76.565%0.65144%0.444SS*.Hα-helixtrans-79.9-32.4-178.4-65171.3000111.6T37 M38T37-I41 HydrophobicContact CG2-CD1 4.15Å; T37-I41 PolarHBondContact O-N 3.3Å; M38-I41 PolarHBondContact O-N 3.11Å
42F61.3Low71.7Confident140 Ų14083 Ų8361%0.61446%0.458SS*.THydrogen-bonded Turntrans-104.229.9176.5-63.7-74000112.1M38 F44M38-F42 HydrophobicContact CB-CD2 3.98Å; M38-F42 HydrophobicContact CB-CE2 4.42Å; M38-F42 HydrophobicContact CE-CE2 4.15Å; M38-F42 HydrophobicContact CG-CD2 4Å; M38-F42 HydrophobicContact CG-CE2 3.92Å; M38-F42 WeakPolarHBondContact O-CB 3.24Å; M38-F42 WeakPolarHBondContact O-CD2 3.4Å; M38-F42 PolarHBondContact O-N 2.92Å; M38-F42 HydrophobicContact SD-CE2 4.39Å; F42-F44 PolarHBondContact O-N 2.84Å
43A69Low72.8Confident53 Ų5379.7 Ų79.744%0.43844%0.438SS..  trans-53.5119.6174.400000108.9Y39 D45Y39-A43 PolarHBondContact O-N 3.33Å; A43-D45 PolarHBondContact O-N 3.37Å
44F83.6Confident74.3Confident44 Ų4480 Ų8019%0.19343%0.43CS..  trans-85.1107.8-176.3174.1-94000109F42 C46 Y56 A60 E126 A127 C130F42-F44 PolarHBondContact O-N 2.84Å; F44-C46 HydrophobicContact CE1-CB 4.29Å; F44-Y56 AromaticContact CD2-CE1 3.81Å; F44-Y56 HydrophobicContact CD2-CE1 3.81Å; F44-Y56 AromaticContact CE2-CD1 3.61Å; F44-Y56 HydrophobicContact CE2-CD1 3.61Å; F44-Y56 AromaticContact CE2-CE1 3.35Å; F44-Y56 HydrophobicContact CE2-CE1 3.35Å; F44-Y56 AromaticContact CZ-CD1 3.89Å; F44-Y56 HydrophobicContact CZ-CD1 3.89Å; F44-Y56 AromaticContact CZ-CE1 3.9Å; F44-Y56 HydrophobicContact CZ-CE1 3.9Å; F44-A60 HydrophobicContact CD2-CB 3.74Å; F44-A60 HydrophobicContact CE2-CB 3.49Å; F44-A60 VanDerWaalsContact CE2-CB 3.49Å; F44-E126 HydrophobicContact CD1-CB 3.94Å; F44-E126 HydrophobicContact CE1-CB 4.37Å; F44-A127 HydrophobicContact CE1-CB 4.42Å; F44-A127 HydrophobicContact CE2-CB 4.09Å; F44-A127 HydrophobicContact CZ-CB 4.02Å; F44-C130 HydrophobicContact CE1-CB 3.64Å; F44-C130 HydrophobicContact CZ-CB 3.59Å
45D88.9Confident76Confident123 Ų12383.2 Ų83.266%0.65844%0.44SS*.  trans-106.3115.1176-67.6-47.3000110.9A43 Y56A43-D45 PolarHBondContact O-N 3.37Å; D45-Y56 WeakPolarHBondContact O-CE1 3.31Å
46C90.6Very high77.6Confident23 Ų2384.4 Ų84.416%0.15543%0.433CS..  trans-71.7135.1179.1-170.40000111F44 C48 C130 P157 C158F44-C46 HydrophobicContact CE1-CB 4.29Å; C46-C48 PolarHBondContact O-N 3.21Å; C46-C130 HydrophobicContact CB-CB 3.75Å; C46-C130 WeakPolarHBondContact CB-SG 3.29Å; C46-C130 WeakPolarHBondContact SG-CB 3.27Å; C46-C130 CovalentContact SG-SG 2.04Å; C46-C130 PolarHBondContact SG-SG 2.94Å; C46-P157 HydrophobicContact CB-CB 3.99Å; C46-C158 PolarHBondContact O-SG 2.86Å; C46-C158 VanDerWaalsContact O-SG 3.35Å
47P91Very high79.2Confident59 Ų5978.1 Ų78.138%0.38340%0.404SS..  trans-72.3-15.5-178.527.9-35.5000114.1S49 R52 Y56P47-S49 VanDerWaalsContact C-N 3.27Å; P47-S49 PolarHBondContact O-N 2.69Å; P47-R52 HydrophobicContact CG-CB 4.2Å; P47-Y56 VanDerWaalsContact CD-CD1 3.48Å; P47-Y56 HydrophobicContact CG-CD1 4.32Å; P47-Y56 HydrophobicContact CG-CG 4.24Å
48C91.4Very high81Confident15 Ų1578.6 Ų78.610%0.10140%0.403CS..  trans50.744.1176.1-66.40000114.5C46 N53 A154 C158C46-C48 PolarHBondContact O-N 3.21Å; C48-N53 WeakPolarHBondContact CA-OD1 3.39Å; C48-N53 PolarHBondContact N-OD1 3.44Å; C48-A154 CarbonylContact C-O 3.42Å; C48-A154 VanDerWaalsContact CA-O 3.26Å; C48-A154 WeakPolarHBondContact CA-O 3.43Å; C48-C158 HydrophobicContact CB-CB 3.7Å; C48-C158 WeakPolarHBondContact CB-SG 3.12Å; C48-C158 WeakPolarHBondContact SG-CB 3.22Å; C48-C158 PolarHBondContact SG-N 3.45Å; C48-C158 CovalentContact SG-SG 2.01Å; C48-C158 PolarHBondContact SG-SG 2.99Å
49S89.6Confident82.8Confident45 Ų4575.5 Ų75.532%0.31540%0.395SS..  trans-133.5133.4-178.8173.60000109.1P47 G51 R52 N53P47-S49 VanDerWaalsContact C-N 3.27Å; P47-S49 PolarHBondContact O-N 2.69Å; S49-G51 PolarHBondContact O-N 3.15Å; S49-R52 PolarHBondContact O-N 3.27Å; S49-R52 VanDerWaalsContact O-N 3.12Å; S49-N53 PolarHBondContact N-OD1 2.99Å; S49-N53 PolarHBondContact O-N 3.36Å; S49-N53 VanDerWaalsContact O-N 3.17Å; S49-N53 PolarHBondContact O-OD1 2.9Å; S49-N53 VanDerWaalsContact O-OD1 3.11Å
50S86.9Confident84.7Confident53 Ų5371.1 Ų71.137%0.37138%0.383SS..THydrogen-bonded Turntrans-56.2137.3178.3-173.30000111.5R52 E134S50-R52 PolarHBondContact O-N 3.25Å; S50-R52 VanDerWaalsContact O-N 3.09Å; S50-E134 WeakPolarHBondContact CA-OE2 3.22Å
51G85.9Confident86.5Confident39 Ų3966.3 Ų66.340%0.40236%0.357SS..THydrogen-bonded Turntrans75.6-21.1-17700000115.2S49 L55 E134S49-G51 PolarHBondContact O-N 3.15Å; G51-L55 WeakPolarHBondContact O-CD1 3.4Å; G51-E134 PolarHBondContact N-OE2 3.09Å
52R91.1Very high88.4Confident170 Ų17061.9 Ų61.964%0.64234%0.343SS*.Hα-helixtrans-91.8-31.5178.7-63.9-175.6179.6-175.60.5112.4P47 S49 S50 L55 Y56P47-R52 HydrophobicContact CG-CB 4.2Å; S49-R52 PolarHBondContact O-N 3.27Å; S49-R52 VanDerWaalsContact O-N 3.12Å; S50-R52 PolarHBondContact O-N 3.25Å; S50-R52 VanDerWaalsContact O-N 3.09Å; R52-L55 PolarHBondContact O-N 2.77Å; R52-Y56 VanDerWaalsContact O-CB 3.28Å; R52-Y56 WeakPolarHBondContact O-CB 3.47Å; R52-Y56 PolarHBondContact O-N 3.23Å
53N92.5Very high89.9Confident0 Ų059.7 Ų59.70%034%0.341CS..Hα-helixtrans-53.9-55.7178-86.524.7000112.7C48 S49 L55 Y56 G57 C130 S133 A154C48-N53 WeakPolarHBondContact CA-OD1 3.39Å; C48-N53 PolarHBondContact N-OD1 3.44Å; S49-N53 PolarHBondContact N-OD1 2.99Å; S49-N53 PolarHBondContact O-N 3.36Å; S49-N53 VanDerWaalsContact O-N 3.17Å; S49-N53 PolarHBondContact O-OD1 2.9Å; S49-N53 VanDerWaalsContact O-OD1 3.11Å; N53-L55 PolarHBondContact O-N 2.84Å; N53-Y56 PolarHBondContact O-N 2.86Å; N53-G57 PolarHBondContact O-N 3.2Å; N53-C130 VanDerWaalsContact CB-O 3.29Å; N53-C130 WeakPolarHBondContact CB-O 3.16Å; N53-S133 PolarHBondContact ND2-OG 3.41Å; N53-A154 PolarHBondContact ND2-O 2.04Å
54Y91.7Very high91Very high97 Ų9759 Ų5938%0.3833%0.331SS..Hα-helixtrans-57.4-49.3177174.1-101.6000112.9Y56 L58 E134 F135Y54-Y56 PolarHBondContact O-N 3.09Å; Y54-L58 HydrophobicContact CE1-CD2 4.2Å; Y54-L58 WeakPolarHBondContact O-CB 3.05Å; Y54-L58 PolarHBondContact O-N 2.9Å; Y54-E134 WeakPolarHBondContact CB-OE1 3.26Å; Y54-F135 AromaticContact CD2-CE2 3.83Å; Y54-F135 HydrophobicContact CD2-CE2 3.83Å; Y54-F135 HydrophobicContact CG-CE2 4.05Å; Y54-F135 HydrophobicContact CG-CZ 4.47Å
55L94Very high91.5Very high115 Ų11557.7 Ų57.760%0.60233%0.329SS*.Hα-helixtrans-61.7-44.3-179.2-69.8174000111.7G51 R52 N53 A59G51-L55 WeakPolarHBondContact O-CD1 3.4Å; R52-L55 PolarHBondContact O-N 2.77Å; N53-L55 PolarHBondContact O-N 2.84Å; L55-A59 WeakPolarHBondContact O-CB 3.49Å; L55-A59 PolarHBondContact O-N 3.15Å
56Y93.4Very high91.8Very high99 Ų9956.6 Ų56.639%0.38832%0.323SS..Hα-helixtrans-69.4-46.1-179.3-174.1-105.7000112F44 D45 P47 R52 N53 Y54 L58 A59 A60F44-Y56 AromaticContact CD2-CE1 3.81Å; F44-Y56 HydrophobicContact CD2-CE1 3.81Å; F44-Y56 AromaticContact CE2-CD1 3.61Å; F44-Y56 HydrophobicContact CE2-CD1 3.61Å; F44-Y56 AromaticContact CE2-CE1 3.35Å; F44-Y56 HydrophobicContact CE2-CE1 3.35Å; F44-Y56 AromaticContact CZ-CD1 3.89Å; F44-Y56 HydrophobicContact CZ-CD1 3.89Å; F44-Y56 AromaticContact CZ-CE1 3.9Å; F44-Y56 HydrophobicContact CZ-CE1 3.9Å; D45-Y56 WeakPolarHBondContact O-CE1 3.31Å; P47-Y56 VanDerWaalsContact CD-CD1 3.48Å; P47-Y56 HydrophobicContact CG-CD1 4.32Å; P47-Y56 HydrophobicContact CG-CG 4.24Å; R52-Y56 VanDerWaalsContact O-CB 3.28Å; R52-Y56 WeakPolarHBondContact O-CB 3.47Å; R52-Y56 PolarHBondContact O-N 3.23Å; N53-Y56 PolarHBondContact O-N 2.86Å; Y54-Y56 PolarHBondContact O-N 3.09Å; Y56-L58 PolarHBondContact O-N 3.48Å; Y56-A59 PolarHBondContact O-N 3.38Å; Y56-A60 WeakPolarHBondContact O-CB 3.2Å; Y56-A60 PolarHBondContact O-N 3.43Å
57G92.4Very high91.9Very high0 Ų057.8 Ų57.80%033%0.334CS..Hα-helixtrans-62.8-41.8176.800000112.5N53 A60 I61N53-G57 PolarHBondContact O-N 3.2Å; G57-A60 PolarHBondContact O-N 2.91Å; G57-I61 WeakPolarHBondContact O-CG1 3.44Å; G57-I61 PolarHBondContact O-N 3.19Å
58L93.3Very high91.9Very high90 Ų9059.3 Ų59.347%0.47134%0.335SS..Hα-helixtrans-65.1-42.6174.6-173.469.2000111.7Y54 Y56 I61 G62Y54-L58 HydrophobicContact CE1-CD2 4.2Å; Y54-L58 WeakPolarHBondContact O-CB 3.05Å; Y54-L58 PolarHBondContact O-N 2.9Å; Y56-L58 PolarHBondContact O-N 3.48Å; L58-I61 PolarHBondContact O-N 3.25Å; L58-G62 PolarHBondContact O-N 2.86Å
59A93.6Very high92Very high44 Ų4462.1 Ų62.136%0.36434%0.344SS..Hα-helixtrans-63.7-40.9177.100000111.9L55 Y56 I61 G62 V63L55-A59 WeakPolarHBondContact O-CB 3.49Å; L55-A59 PolarHBondContact O-N 3.15Å; Y56-A59 PolarHBondContact O-N 3.38Å; A59-I61 VanDerWaalsContact C-N 3.26Å; A59-I61 PolarHBondContact O-N 2.92Å; A59-G62 PolarHBondContact O-N 3.34Å; A59-V63 HydrophobicContact CB-CG2 4.21Å; A59-V63 VanDerWaalsContact O-CB 3.27Å; A59-V63 WeakPolarHBondContact O-CB 3.49Å; A59-V63 WeakPolarHBondContact O-CG2 3.38Å; A59-V63 PolarHBondContact O-N 3.09Å
60A91.3Very high92.2Very high26 Ų2664.4 Ų64.422%0.21535%0.352CS..Hα-helixtrans-62.6-31.7178.200000113F44 Y56 G57 P64F44-A60 HydrophobicContact CD2-CB 3.74Å; F44-A60 HydrophobicContact CE2-CB 3.49Å; F44-A60 VanDerWaalsContact CE2-CB 3.49Å; Y56-A60 WeakPolarHBondContact O-CB 3.2Å; Y56-A60 PolarHBondContact O-N 3.43Å; G57-A60 PolarHBondContact O-N 2.91Å; A60-P64 VanDerWaalsContact O-CD 3.27Å; A60-P64 WeakPolarHBondContact O-CD 3.5Å; A60-P64 WeakPolarHBondContact O-CG 3.41Å
61I91.6Very high92.4Very high31 Ų3165.5 Ų65.516%0.15936%0.356CS..Hα-helixtrans-83-49.5173.7-60.1174000110.6G57 L58 A59 A65 W117 A127G57-I61 WeakPolarHBondContact O-CG1 3.44Å; G57-I61 PolarHBondContact O-N 3.19Å; L58-I61 PolarHBondContact O-N 3.25Å; A59-I61 VanDerWaalsContact C-N 3.26Å; A59-I61 PolarHBondContact O-N 2.92Å; I61-A65 WeakPolarHBondContact O-CB 3.48Å; I61-W117 VanDerWaalsContact O-CD1 3.27Å; I61-W117 PolarHBondContact O-NE1 3.22Å; I61-W117 VanDerWaalsContact O-NE1 3.08Å; I61-A127 HydrophobicContact CD1-CB 3.88Å; I61-A127 HydrophobicContact CG1-CB 3.74Å
62G92.4Very high92.6Very high34 Ų3464.7 Ų64.735%0.35135%0.348SS..Hα-helixtrans-78.4-39-167.500000115.1L58 A59 A65 L66L58-G62 PolarHBondContact O-N 2.86Å; A59-G62 PolarHBondContact O-N 3.34Å; G62-A65 PolarHBondContact O-N 2.95Å; G62-L66 WeakPolarHBondContact O-CB 3.24Å; G62-L66 PolarHBondContact O-N 3.19Å
63V94.4Very high92.6Very high94 Ų9458.4 Ų58.457%0.5733%0.327SS*.Hα-helixtrans-67.9-47.8-176.4175.30000111.6A59 A65 L66 A67A59-V63 HydrophobicContact CB-CG2 4.21Å; A59-V63 VanDerWaalsContact O-CB 3.27Å; A59-V63 WeakPolarHBondContact O-CB 3.49Å; A59-V63 WeakPolarHBondContact O-CG2 3.38Å; A59-V63 PolarHBondContact O-N 3.09Å; V63-A65 VanDerWaalsContact C-N 3.32Å; V63-A65 PolarHBondContact O-N 2.76Å; V63-L66 PolarHBondContact O-N 3.23Å; V63-A67 PolarHBondContact O-N 2.85Å
64P91.6Very high92.5Very high37 Ų3764.1 Ų64.124%0.2436%0.355CS..Hα-helixtrans-64.3-36.7175.1-21.134000112.4A60 A67 F68 W117A60-P64 VanDerWaalsContact O-CD 3.27Å; A60-P64 WeakPolarHBondContact O-CD 3.5Å; A60-P64 WeakPolarHBondContact O-CG 3.41Å; P64-A67 PolarHBondContact O-N 3.16Å; P64-F68 HydrophobicContact CB-CE2 4.39Å; P64-F68 WeakPolarHBondContact O-CD2 3.43Å; P64-F68 WeakPolarHBondContact O-CG 3.27Å; P64-F68 PolarHBondContact O-N 3.18Å; P64-W117 HydrophobicContact CB-CD2 4.2Å; P64-W117 HydrophobicContact CB-CG 4.49Å; P64-W117 HydrophobicContact CB-CZ2 3.91Å; P64-W117 HydrophobicContact CG-CZ2 3.82Å
65A93.2Very high92.2Very high17 Ų1766.4 Ų66.414%0.1437%0.373CS..Hα-helixtrans-59.2-48.7172.600000111.4I61 G62 V63 A67 F68 Y69 P114I61-A65 WeakPolarHBondContact O-CB 3.48Å; G62-A65 PolarHBondContact O-N 2.95Å; V63-A65 VanDerWaalsContact C-N 3.32Å; V63-A65 PolarHBondContact O-N 2.76Å; A65-A67 VanDerWaalsContact C-N 3.33Å; A65-A67 PolarHBondContact O-N 3.28Å; A65-F68 PolarHBondContact O-N 3.03Å; A65-Y69 WeakPolarHBondContact O-CB 3.22Å; A65-Y69 PolarHBondContact O-N 2.65Å; A65-P114 HydrophobicContact CB-CB 3.85Å; A65-P114 WeakPolarHBondContact O-CB 3.16Å
66L95Very high91.8Very high101 Ų10161.8 Ų61.853%0.52935%0.349SS..Hα-helixtrans-60.4-43.1177.1-179.161.8000111.6G62 V63 Y69 L70G62-L66 WeakPolarHBondContact O-CB 3.24Å; G62-L66 PolarHBondContact O-N 3.19Å; V63-L66 PolarHBondContact O-N 3.23Å; L66-Y69 WeakPolarHBondContact O-CB 3.33Å; L66-Y69 PolarHBondContact O-N 2.67Å; L66-L70 HydrophobicContact CD1-CD1 4.45Å; L66-L70 HydrophobicContact CD1-CG 4.3Å; L66-L70 HydrophobicContact CG-CD1 4.22Å; L66-L70 HydrophobicContact CG-CG 4.48Å; L66-L70 VanDerWaalsContact O-CG 3.32Å; L66-L70 WeakPolarHBondContact O-CG 3.41Å; L66-L70 PolarHBondContact O-N 3.01Å
67A93.3Very high91.5Very high48 Ų4862 Ų6240%0.39735%0.352SS..Hα-helixtrans-59.8-48.4176.500000111.7V63 P64 A65 Y69 L70 V71V63-A67 PolarHBondContact O-N 2.85Å; P64-A67 PolarHBondContact O-N 3.16Å; A65-A67 VanDerWaalsContact C-N 3.33Å; A65-A67 PolarHBondContact O-N 3.28Å; A67-Y69 VanDerWaalsContact C-N 3.3Å; A67-Y69 PolarHBondContact O-N 3.33Å; A67-L70 PolarHBondContact O-N 3.17Å; A67-V71 WeakPolarHBondContact O-CG2 3.2Å; A67-V71 PolarHBondContact O-N 3.26Å
68F91.6Very high91.2Very high90 Ų9063.3 Ų63.340%0.39536%0.361SS..Hα-helixtrans-61.1-39175.7-70.2-42.6000112.6P64 A65 G72 A113 W117P64-F68 HydrophobicContact CB-CE2 4.39Å; P64-F68 WeakPolarHBondContact O-CD2 3.43Å; P64-F68 WeakPolarHBondContact O-CG 3.27Å; P64-F68 PolarHBondContact O-N 3.18Å; A65-F68 PolarHBondContact O-N 3.03Å; F68-G72 PolarHBondContact O-N 3.46Å; F68-A113 HydrophobicContact CB-CB 3.92Å; F68-A113 HydrophobicContact CG-CB 4.3Å; F68-W117 HydrophobicContact CD2-CB 4.01Å; F68-W117 HydrophobicContact CD2-CG 4.28Å; F68-W117 HydrophobicContact CE2-CB 4.06Å; F68-W117 HydrophobicContact CE2-CD2 4.09Å; F68-W117 HydrophobicContact CE2-CE3 4.04Å; F68-W117 HydrophobicContact CE2-CG 4.1Å
69Y93.8Very high91Very high75 Ų7560 Ų6029%0.29434%0.344SS..Hα-helixtrans-62.5-48.4176.2-176.2-111.6000111.7A65 L66 A67 V71 G72 I73 I107 A110 P114A65-Y69 WeakPolarHBondContact O-CB 3.22Å; A65-Y69 PolarHBondContact O-N 2.65Å; L66-Y69 WeakPolarHBondContact O-CB 3.33Å; L66-Y69 PolarHBondContact O-N 2.67Å; A67-Y69 VanDerWaalsContact C-N 3.3Å; A67-Y69 PolarHBondContact O-N 3.33Å; Y69-V71 PolarHBondContact O-N 2.82Å; Y69-G72 PolarHBondContact O-N 3.29Å; Y69-I73 HydrophobicContact CE1-CG1 4.17Å; Y69-I73 HydrophobicContact CE2-CD1 4.34Å; Y69-I73 HydrophobicContact CE2-CG1 4.4Å; Y69-I73 WeakPolarHBondContact O-CG1 3.24Å; Y69-I73 PolarHBondContact O-N 3.29Å; Y69-I107 HydrophobicContact CE2-CG2 4.49Å; Y69-A110 HydrophobicContact CD2-CB 3.98Å; Y69-A110 HydrophobicContact CE2-CB 3.88Å; Y69-P114 HydrophobicContact CD2-CG 4.26Å
70L94.2Very high90.8Very high93 Ų9364.3 Ų64.349%0.48735%0.351SS..Hα-helixtrans-61.6-45.5178.6-68.5174.6000111.9L66 A67 G72 I73 M74L66-L70 HydrophobicContact CD1-CD1 4.45Å; L66-L70 HydrophobicContact CD1-CG 4.3Å; L66-L70 HydrophobicContact CG-CD1 4.22Å; L66-L70 HydrophobicContact CG-CG 4.48Å; L66-L70 VanDerWaalsContact O-CG 3.32Å; L66-L70 WeakPolarHBondContact O-CG 3.41Å; L66-L70 PolarHBondContact O-N 3.01Å; A67-L70 PolarHBondContact O-N 3.17Å; L70-G72 VanDerWaalsContact C-N 3.31Å; L70-G72 PolarHBondContact O-N 3.36Å; L70-I73 PolarHBondContact O-N 3.5Å; L70-M74 WeakPolarHBondContact O-CG 3.42Å; L70-M74 PolarHBondContact O-N 3.46Å
71V90.1Very high90.6Very high75 Ų7564.6 Ų64.646%0.45535%0.349SS..Hα-helixtrans-59.8-43.4174.9172.20000110.6A67 Y69 I73 M74 L75A67-V71 WeakPolarHBondContact O-CG2 3.2Å; A67-V71 PolarHBondContact O-N 3.26Å; Y69-V71 PolarHBondContact O-N 2.82Å; V71-I73 VanDerWaalsContact C-N 3.33Å; V71-I73 PolarHBondContact O-N 3.11Å; V71-M74 PolarHBondContact O-N 2.93Å; V71-L75 HydrophobicContact CG1-CD1 3.72Å; V71-L75 HydrophobicContact CG1-CG 4.21Å; V71-L75 WeakPolarHBondContact O-CG 3.44Å; V71-L75 PolarHBondContact O-N 3.23Å
72G89.3Confident90.5Very high22 Ų2264.2 Ų64.223%0.22735%0.347CS..Hα-helixtrans-59.4-40175.900000113.4F68 Y69 L70 N76F68-G72 PolarHBondContact O-N 3.46Å; Y69-G72 PolarHBondContact O-N 3.29Å; L70-G72 VanDerWaalsContact C-N 3.31Å; L70-G72 PolarHBondContact O-N 3.36Å; G72-N76 WeakPolarHBondContact O-CB 3.4Å; G72-N76 PolarHBondContact O-N 3.26Å
73I91.6Very high90.3Very high39 Ų3966.3 Ų66.320%0.235%0.353CS..Hα-helixtrans-66.7-43.7174.8-65.8-67.4000111.3Y69 L70 V71 N76 T79 I106 A110Y69-I73 HydrophobicContact CE1-CG1 4.17Å; Y69-I73 HydrophobicContact CE2-CD1 4.34Å; Y69-I73 HydrophobicContact CE2-CG1 4.4Å; Y69-I73 WeakPolarHBondContact O-CG1 3.24Å; Y69-I73 PolarHBondContact O-N 3.29Å; L70-I73 PolarHBondContact O-N 3.5Å; V71-I73 VanDerWaalsContact C-N 3.33Å; V71-I73 PolarHBondContact O-N 3.11Å; I73-N76 PolarHBondContact O-N 3.44Å; I73-T79 HydrophobicContact CG2-CG2 3.89Å; I73-T79 PolarHBondContact O-OG1 3.34Å; I73-I106 HydrophobicContact CD1-CG2 3.55Å; I73-A110 HydrophobicContact CD1-CB 3.55Å; I73-A110 HydrophobicContact CG1-CB 3.82Å
74M90.5Very high90Very high120 Ų12063.5 Ų63.559%0.59134%0.338SS*.Hα-helixtrans-65.7-39.2-179-71.4175.468.900113.1L70 V71 N76 W80L70-M74 WeakPolarHBondContact O-CG 3.42Å; L70-M74 PolarHBondContact O-N 3.46Å; V71-M74 PolarHBondContact O-N 2.93Å; M74-N76 VanDerWaalsContact C-N 3.32Å; M74-W80 PolarHBondContact O-NE1 2.84Å
75L85.4Confident89.6Confident145 Ų14562.4 Ų62.476%0.75933%0.329SS*.Hα-helixtrans-79.8-13.2-179.3-65.7178.1000113.3V71 K77V71-L75 HydrophobicContact CG1-CD1 3.72Å; V71-L75 HydrophobicContact CG1-CG 4.21Å; V71-L75 WeakPolarHBondContact O-CG 3.44Å; V71-L75 PolarHBondContact O-N 3.23Å; L75-K77 PolarHBondContact O-N 3.22Å
76N86.7Confident89.3Confident17 Ų1764.2 Ų64.29%0.09134%0.34CS..  trans-81.1109.6-178.1-172.5-13.8000111.4G72 I73 M74 S78 T79G72-N76 WeakPolarHBondContact O-CB 3.4Å; G72-N76 PolarHBondContact O-N 3.26Å; I73-N76 PolarHBondContact O-N 3.44Å; M74-N76 VanDerWaalsContact C-N 3.32Å; N76-S78 PolarHBondContact O-N 3.44Å; N76-S78 VanDerWaalsContact O-N 3.13Å; N76-S78 VanDerWaalsContact OD1-CB 3.29Å; N76-S78 WeakPolarHBondContact OD1-CB 3.46Å; N76-S78 PolarHBondContact OD1-N 3.19Å; N76-S78 PolarHBondContact OD1-OG 3.03Å; N76-T79 WeakPolarHBondContact O-CB 3.42Å; N76-T79 PolarHBondContact O-N 3.48Å; N76-T79 PolarHBondContact O-OG1 2.93Å
77K85.9Confident88.9Confident105 Ų10569.6 Ų69.646%0.45735%0.354SS..Hα-helixtrans-51.9-36.2176.5-174.4176.4-179.2175.60113.4L75 T79 W80 D81 H225L75-K77 PolarHBondContact O-N 3.22Å; K77-T79 PolarHBondContact O-N 3.39Å; K77-W80 PolarHBondContact O-N 2.85Å; K77-D81 PolarHBondContact O-N 2.93Å; K77-H225 PolarHBondContact NZ-CE1 3.39Å; K77-H225 VanDerWaalsContact NZ-CE1 3.28Å; K77-H225 PolarHBondContact NZ-ND1 2.76Å
78S86.9Confident88.4Confident27 Ų2770.1 Ų70.119%0.18935%0.349CS..Hα-helixtrans-63.5-28.9-179.6-33.10000112.3N76 L82 R109N76-S78 PolarHBondContact O-N 3.44Å; N76-S78 VanDerWaalsContact O-N 3.13Å; N76-S78 VanDerWaalsContact OD1-CB 3.29Å; N76-S78 WeakPolarHBondContact OD1-CB 3.46Å; N76-S78 PolarHBondContact OD1-N 3.19Å; N76-S78 PolarHBondContact OD1-OG 3.03Å; S78-L82 WeakPolarHBondContact O-CB 3.45Å; S78-L82 PolarHBondContact O-N 3.46Å; S78-R109 PolarHBondContact OG-NH1 3.49Å
79T89.1Confident87.9Confident20 Ų2067.3 Ų67.312%0.12334%0.336CS..Hα-helixtrans-60.7-49.2172.5-52.20000110.1I73 N76 K77 L82 V83 I106I73-T79 HydrophobicContact CG2-CG2 3.89Å; I73-T79 PolarHBondContact O-OG1 3.34Å; N76-T79 WeakPolarHBondContact O-CB 3.42Å; N76-T79 PolarHBondContact O-N 3.48Å; N76-T79 PolarHBondContact O-OG1 2.93Å; K77-T79 PolarHBondContact O-N 3.39Å; T79-L82 WeakPolarHBondContact O-CB 3.45Å; T79-L82 PolarHBondContact O-N 2.74Å; T79-V83 WeakPolarHBondContact O-CG2 3.11Å; T79-V83 PolarHBondContact O-N 2.86Å; T79-I106 WeakPolarHBondContact OG1-CG2 3.33Å
80W89.4Confident87.3Confident135 Ų13572.7 Ų72.751%0.51136%0.356SS..Hα-helixtrans-72-33-178.3-57.9111.6000112.5M74 K77 L82 V83 S84M74-W80 PolarHBondContact O-NE1 2.84Å; K77-W80 PolarHBondContact O-N 2.85Å; W80-L82 VanDerWaalsContact C-N 3.33Å; W80-V83 PolarHBondContact O-N 3.4Å; W80-S84 VanDerWaalsContact O-CB 3.24Å; W80-S84 WeakPolarHBondContact O-CB 3.45Å; W80-S84 PolarHBondContact O-N 3.27Å; W80-S84 PolarHBondContact O-OG 3.46Å
81D87.1Confident86.5Confident31 Ų3169.7 Ų69.717%0.16634%0.342CS..Hα-helixtrans-62.3-41.5171.2-71.9-21.1000111K77 E85 I281K77-D81 PolarHBondContact O-N 2.93Å; D81-E85 WeakPolarHBondContact O-CB 3.49Å; D81-E85 PolarHBondContact O-N 3.36Å; D81-I281 HydrophobicContact CB-CG1 4.21Å
82L88.3Confident85.5Confident24 Ų2475.4 Ų75.413%0.12636%0.356CS..Hα-helixtrans-66.3-47.3175.4179.862.1000112.2S78 T79 W80 S84 E85 C86 L94 V102 L103 I106 I281S78-L82 WeakPolarHBondContact O-CB 3.45Å; S78-L82 PolarHBondContact O-N 3.46Å; T79-L82 WeakPolarHBondContact O-CB 3.45Å; T79-L82 PolarHBondContact O-N 2.74Å; W80-L82 VanDerWaalsContact C-N 3.33Å; L82-S84 VanDerWaalsContact C-N 3.27Å; L82-S84 PolarHBondContact O-N 2.85Å; L82-E85 PolarHBondContact O-N 3.47Å; L82-C86 PolarHBondContact O-N 2.89Å; L82-L94 HydrophobicContact CD1-CD2 3.57Å; L82-V102 HydrophobicContact CB-CG1 4.47Å; L82-V102 HydrophobicContact CD1-CG1 4.44Å; L82-V102 HydrophobicContact CD2-CG1 4.27Å; L82-L103 HydrophobicContact CD2-CD2 3.74Å; L82-L103 HydrophobicContact CD2-CG 4.38Å; L82-I106 HydrophobicContact CB-CD1 4.37Å; L82-I106 HydrophobicContact CD2-CD1 3.87Å; L82-I281 HydrophobicContact CB-CD1 3.8Å; L82-I281 HydrophobicContact CD1-CD1 3.41Å; L82-I281 VanDerWaalsContact CD1-CD1 3.41Å; L82-I281 HydrophobicContact CG-CD1 4.2Å
83V89.6Confident84.4Confident77 Ų7777 Ų7747%0.46736%0.356SS..Hα-helixtrans-59.9-41.5177.2170.70000110.5T79 W80 C86 R87T79-V83 WeakPolarHBondContact O-CG2 3.11Å; T79-V83 PolarHBondContact O-N 2.86Å; W80-V83 PolarHBondContact O-N 3.4Å; V83-C86 PolarHBondContact O-N 3.02Å; V83-R87 WeakPolarHBondContact O-CB 3.17Å; V83-R87 PolarHBondContact O-N 3.01Å
84S86.4Confident83.5Confident36 Ų3676.5 Ų76.525%0.25235%0.354SS..Hα-helixtrans-65.5-41.6176.8-59.90000111.9W80 L82 R87 L88W80-S84 VanDerWaalsContact O-CB 3.24Å; W80-S84 WeakPolarHBondContact O-CB 3.45Å; W80-S84 PolarHBondContact O-N 3.27Å; W80-S84 PolarHBondContact O-OG 3.46Å; L82-S84 VanDerWaalsContact C-N 3.27Å; L82-S84 PolarHBondContact O-N 2.85Å; S84-R87 PolarHBondContact O-N 3.06Å; S84-L88 VanDerWaalsContact O-CB 3.29Å; S84-L88 WeakPolarHBondContact O-CB 3.47Å; S84-L88 VanDerWaalsContact O-CG 3.31Å; S84-L88 WeakPolarHBondContact O-CG 3.44Å; S84-L88 PolarHBondContact O-N 2.9Å
85E84.9Confident82.8Confident13 Ų1374.5 Ų74.56%0.06135%0.352CS..Hα-helixtrans-63-42.1175.2-170.565.7-166.100111.5D81 L82 R89 I281D81-E85 WeakPolarHBondContact O-CB 3.49Å; D81-E85 PolarHBondContact O-N 3.36Å; L82-E85 PolarHBondContact O-N 3.47Å; E85-R89 WeakPolarHBondContact O-CA 3.25Å; E85-R89 WeakPolarHBondContact O-CB 3.27Å; E85-R89 PolarHBondContact O-N 3.11Å; E85-R89 WeakPolarHBondContact OE1-CD 3.41Å; E85-R89 IonicContact OE1-NH1 2.87Å; E85-R89 IonicContact OE2-CZ 2.78Å; E85-R89 IonicContact OE2-NH1 3.8Å; E85-R89 PolarHBondContact OE2-NH1 2.82Å; E85-I281 HydrophobicContact CB-CD1 4.47Å
86C86.4Confident82.4Confident55 Ų5570.4 Ų70.437%0.37234%0.344SS..Hα-helixtrans-65.5-43174.1-78.50000112.3L82 V83 R90 C91L82-C86 PolarHBondContact O-N 2.89Å; V83-C86 PolarHBondContact O-N 3.02Å; C86-R90 WeakPolarHBondContact O-CA 3.32Å; C86-R90 PolarHBondContact O-N 3.18Å; C86-C91 WeakPolarHBondContact CA-SG 3.45Å; C86-C91 HydrophobicContact CB-CB 4.09Å; C86-C91 WeakPolarHBondContact CB-SG 3.2Å; C86-C91 PolarHBondContact N-SG 3.14Å; C86-C91 VanDerWaalsContact N-SG 3.44Å; C86-C91 WeakPolarHBondContact SG-CB 2.96Å; C86-C91 CovalentContact SG-SG 2.04Å; C86-C91 PolarHBondContact SG-SG 3.1Å
87R87.2Confident81.8Confident215 Ų21573.1 Ų73.181%0.81137%0.369SS*.Hα-helixtrans-65.3-46.6179.1-177.9-176.2171.4-145-1.5112V83 S84V83-R87 WeakPolarHBondContact O-CB 3.17Å; V83-R87 PolarHBondContact O-N 3.01Å; S84-R87 PolarHBondContact O-N 3.06Å
88L82.3Confident81.5Confident58 Ų5868.9 Ų68.930%0.30435%0.354SS..Hα-helixtrans-80.4-32.9-174.5-66.4173.7000112.8S84 N276S84-L88 VanDerWaalsContact O-CB 3.29Å; S84-L88 WeakPolarHBondContact O-CB 3.47Å; S84-L88 VanDerWaalsContact O-CG 3.31Å; S84-L88 WeakPolarHBondContact O-CG 3.44Å; S84-L88 PolarHBondContact O-N 2.9Å; L88-N276 HydrophobicContact CD1-CB 4.03Å; L88-N276 HydrophobicContact CD2-CB 4.23Å; L88-N276 WeakPolarHBondContact CD2-OD1 3.25Å
89R80.9Confident81.2Confident31 Ų3168.7 Ų68.712%0.11735%0.354CS..Hα-helixtrans-128.512.9-169.9-65.4165.9-175.9106.917.1113.8E85 C91 R92 N276 T279E85-R89 WeakPolarHBondContact O-CA 3.25Å; E85-R89 WeakPolarHBondContact O-CB 3.27Å; E85-R89 PolarHBondContact O-N 3.11Å; E85-R89 WeakPolarHBondContact OE1-CD 3.41Å; E85-R89 IonicContact OE1-NH1 2.87Å; E85-R89 IonicContact OE2-CZ 2.78Å; E85-R89 IonicContact OE2-NH1 3.8Å; E85-R89 PolarHBondContact OE2-NH1 2.82Å; R89-C91 PolarHBondContact O-N 3.47Å; R89-R92 PolarHBondContact O-N 3.28Å; R89-R92 VanDerWaalsContact O-N 3.15Å; R89-N276 PolarHBondContact NH2-O 2.83Å; R89-T279 PolarHBondContact NH1-O 3.46Å
90R81Confident80.8Confident189 Ų18975.7 Ų75.771%0.71338%0.383SS*.THydrogen-bonded Turntrans52.723.1-179.4-59.9-176.8-170.4173.24113.8C86 R92C86-R90 WeakPolarHBondContact O-CA 3.32Å; C86-R90 PolarHBondContact O-N 3.18Å; R90-R92 HydrophobicContact CB-CG 4.18Å; R90-R92 PolarHBondContact O-N 3.09Å
91C78.1Confident80.4Confident29 Ų2972 Ų7220%0.19638%0.381CS..THydrogen-bonded Turntrans51.618.5-174.2-87.30000114.9C86 R89 K93 L94C86-C91 WeakPolarHBondContact CA-SG 3.45Å; C86-C91 HydrophobicContact CB-CB 4.09Å; C86-C91 WeakPolarHBondContact CB-SG 3.2Å; C86-C91 PolarHBondContact N-SG 3.14Å; C86-C91 VanDerWaalsContact N-SG 3.44Å; C86-C91 WeakPolarHBondContact SG-CB 2.96Å; C86-C91 CovalentContact SG-SG 2.04Å; C86-C91 PolarHBondContact SG-SG 3.1Å; R89-C91 PolarHBondContact O-N 3.47Å; C91-K93 PolarHBondContact O-N 2.91Å; C91-K93 VanDerWaalsContact O-N 3.09Å; C91-L94 PolarHBondContact O-N 2.88Å
92R69.1Low80.3Confident196 Ų19671.4 Ų71.474%0.7438%0.379SS*.THydrogen-bonded Turntrans-60.4-25.5-177.4-78.1-178.6173.1-176.5-4.6113.4R89 R90R89-R92 PolarHBondContact O-N 3.28Å; R89-R92 VanDerWaalsContact O-N 3.15Å; R90-R92 HydrophobicContact CB-CG 4.18Å; R90-R92 PolarHBondContact O-N 3.09Å
93K66.3Low80.3Confident54 Ų5474.1 Ų74.124%0.23539%0.393CS..THydrogen-bonded Turntrans-99.9-2.3-174.2-58.2-173.5-171.8170.80114.2C91 S95 M315C91-K93 PolarHBondContact O-N 2.91Å; C91-K93 VanDerWaalsContact O-N 3.09Å; K93-S95 PolarHBondContact O-N 3.02Å; K93-M315 WeakPolarHBondContact CE-O 3.36Å; K93-M315 PolarHBondContact NZ-O 3.48Å
94L71.3Confident80.1Confident30 Ų3072.3 Ų72.316%0.15739%0.39CS..  trans-87.696.5178.7-164.466.7000107.4L82 C91 A98 A99 I281L82-L94 HydrophobicContact CD1-CD2 3.57Å; C91-L94 PolarHBondContact O-N 2.88Å; L94-A98 HydrophobicContact CD1-CB 3.81Å; L94-A98 HydrophobicContact CG-CB 4.43Å; L94-A99 HydrophobicContact CD2-CB 3.55Å; L94-A99 HydrophobicContact CG-CB 3.73Å; L94-I281 HydrophobicContact CD1-CD1 4.49Å
95S76.9Confident80.1Confident78 Ų7873.7 Ų73.755%0.54540%0.397SS..  trans-51.4145.8171.3170.60000109.7K93 A97 A98 A99K93-S95 PolarHBondContact O-N 3.02Å; S95-A97 PolarHBondContact O-N 3.43Å; S95-A97 VanDerWaalsContact O-N 3.11Å; S95-A98 CarbonylContact O-C 3.59Å; S95-A98 WeakPolarHBondContact O-CA 3.44Å; S95-A98 WeakPolarHBondContact O-CB 3.25Å; S95-A98 PolarHBondContact O-N 3.14Å; S95-A99 PolarHBondContact O-N 2.95Å
96G76Confident80.3Confident58 Ų5873.4 Ų73.460%0.59840%0.396SS*.Hα-helixtrans-52.1-38-17900000113A99 F100G96-A99 PolarHBondContact O-N 2.81Å; G96-F100 WeakPolarHBondContact O-CB 3.4Å; G96-F100 PolarHBondContact O-N 3.13Å
97A75.5Confident80.6Confident74 Ų7474.7 Ų74.761%0.61240%0.398SS*.Hα-helixtrans-66.6-40.2175.800000112.9S95 F100 A101S95-A97 PolarHBondContact O-N 3.43Å; S95-A97 VanDerWaalsContact O-N 3.11Å; A97-F100 PolarHBondContact O-N 3.19Å; A97-A101 WeakPolarHBondContact O-CB 3.25Å; A97-A101 PolarHBondContact O-N 3.4Å
98A78Confident80.6Confident16 Ų1666.5 Ų66.513%0.13238%0.38CS..Hα-helixtrans-70.1-38.7176.500000111.6L94 S95 A101 V102 L283L94-A98 HydrophobicContact CD1-CB 3.81Å; L94-A98 HydrophobicContact CG-CB 4.43Å; S95-A98 CarbonylContact O-C 3.59Å; S95-A98 WeakPolarHBondContact O-CA 3.44Å; S95-A98 WeakPolarHBondContact O-CB 3.25Å; S95-A98 PolarHBondContact O-N 3.14Å; A98-A101 PolarHBondContact O-N 3.37Å; A98-V102 WeakPolarHBondContact O-CB 3.46Å; A98-V102 VanDerWaalsContact O-CG2 3.25Å; A98-V102 WeakPolarHBondContact O-CG2 3.35Å; A98-V102 PolarHBondContact O-N 3.28Å; A98-L283 HydrophobicContact CB-CD1 3.67Å; A98-L283 HydrophobicContact CB-CD2 4.02Å
99A80.8Confident80.9Confident23 Ų2371.4 Ų71.419%0.1940%0.395CS..Hα-helixtrans-60.1-47.7173.400000110.8L94 S95 G96 A101 V102 L103L94-A99 HydrophobicContact CD2-CB 3.55Å; L94-A99 HydrophobicContact CG-CB 3.73Å; S95-A99 PolarHBondContact O-N 2.95Å; G96-A99 PolarHBondContact O-N 2.81Å; A99-A101 PolarHBondContact O-N 2.98Å; A99-V102 PolarHBondContact O-N 3.42Å; A99-L103 WeakPolarHBondContact O-CB 3.39Å; A99-L103 VanDerWaalsContact O-CG 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.36Å; A99-L103 PolarHBondContact O-N 3.49Å
100F81.6Confident81.4Confident167 Ų16770 Ų7073%0.73239%0.39SS*.Hα-helixtrans-61.3-44.8177.7-174.3-97.5000112.1G96 A97 G104G96-F100 WeakPolarHBondContact O-CB 3.4Å; G96-F100 PolarHBondContact O-N 3.13Å; A97-F100 PolarHBondContact O-N 3.19Å; F100-G104 PolarHBondContact O-N 3.4Å
101A81.9Confident82Confident58 Ų5862.2 Ų62.248%0.47937%0.366SS..Hα-helixtrans-61.8-46.6177.100000111.9A97 A98 A99 G104 T105A97-A101 WeakPolarHBondContact O-CB 3.25Å; A97-A101 PolarHBondContact O-N 3.4Å; A98-A101 PolarHBondContact O-N 3.37Å; A99-A101 PolarHBondContact O-N 2.98Å; A101-G104 PolarHBondContact O-N 2.86Å; A101-T105 WeakPolarHBondContact O-CG2 3.45Å; A101-T105 PolarHBondContact O-N 3.04Å
102V84.8Confident82.6Confident19 Ų1965.2 Ų65.212%0.11538%0.384CS..Hα-helixtrans-64.3-48.5179.1172.60000110.9L82 A98 A99 G104 T105 I106 I281L82-V102 HydrophobicContact CB-CG1 4.47Å; L82-V102 HydrophobicContact CD1-CG1 4.44Å; L82-V102 HydrophobicContact CD2-CG1 4.27Å; A98-V102 WeakPolarHBondContact O-CB 3.46Å; A98-V102 VanDerWaalsContact O-CG2 3.25Å; A98-V102 WeakPolarHBondContact O-CG2 3.35Å; A98-V102 PolarHBondContact O-N 3.28Å; A99-V102 PolarHBondContact O-N 3.42Å; V102-G104 VanDerWaalsContact C-N 3.3Å; V102-G104 PolarHBondContact O-N 2.99Å; V102-T105 PolarHBondContact O-N 2.96Å; V102-T105 VanDerWaalsContact O-N 3.12Å; V102-T105 PolarHBondContact O-OG1 3.43Å; V102-I106 HydrophobicContact CG1-CD1 3.83Å; V102-I106 WeakPolarHBondContact O-CG1 3.38Å; V102-I106 PolarHBondContact O-N 3.26Å; V102-I281 HydrophobicContact CG1-CD1 3.9Å; V102-I281 HydrophobicContact CG2-CD1 4.25Å; V102-I281 HydrophobicContact CG2-CG2 4.25Å
103L87.7Confident83.5Confident80 Ų8058.1 Ų58.142%0.41937%0.367SS..Hα-helixtrans-59.7-42.3176.6-72.5170.9000111.4L82 A99 T105 I106 I107L82-L103 HydrophobicContact CD2-CD2 3.74Å; L82-L103 HydrophobicContact CD2-CG 4.38Å; A99-L103 WeakPolarHBondContact O-CB 3.39Å; A99-L103 VanDerWaalsContact O-CG 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.36Å; A99-L103 PolarHBondContact O-N 3.49Å; L103-T105 VanDerWaalsContact C-N 3.32Å; L103-T105 PolarHBondContact O-N 3.07Å; L103-I106 PolarHBondContact O-N 3.03Å; L103-I106 VanDerWaalsContact O-N 3.12Å; L103-I107 WeakPolarHBondContact O-CB 3.4Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.33Å; L103-I107 PolarHBondContact O-N 2.55Å
104G85.6Confident84.8Confident40 Ų4056.2 Ų56.241%0.41236%0.36SS..Hα-helixtrans-58.1-41.8174.500000112.6F100 A101 V102 G108F100-G104 PolarHBondContact O-N 3.4Å; A101-G104 PolarHBondContact O-N 2.86Å; V102-G104 VanDerWaalsContact C-N 3.3Å; V102-G104 PolarHBondContact O-N 2.99Å; G104-G108 WeakPolarHBondContact O-CA 3.38Å; G104-G108 PolarHBondContact O-N 3.48Å
105T85.8Confident85.9Confident65 Ų6556.3 Ų56.340%0.39936%0.362SS..Hα-helixtrans-68.1-34.3175.164.40000113.2A101 V102 L103 R109A101-T105 WeakPolarHBondContact O-CG2 3.45Å; A101-T105 PolarHBondContact O-N 3.04Å; V102-T105 PolarHBondContact O-N 2.96Å; V102-T105 VanDerWaalsContact O-N 3.12Å; V102-T105 PolarHBondContact O-OG1 3.43Å; L103-T105 VanDerWaalsContact C-N 3.32Å; L103-T105 PolarHBondContact O-N 3.07Å; T105-R109 WeakPolarHBondContact O-CB 3.4Å; T105-R109 VanDerWaalsContact O-CG 3.3Å; T105-R109 WeakPolarHBondContact O-CG 3.29Å; T105-R109 PolarHBondContact O-N 2.92Å
106I89.8Confident86.5Confident7 Ų756 Ų564%0.03636%0.356CS..Hα-helixtrans-69.3-54.5178.2-68.2163.4000110I73 T79 L82 V102 L103 R109 A110I73-I106 HydrophobicContact CD1-CG2 3.55Å; T79-I106 WeakPolarHBondContact OG1-CG2 3.33Å; L82-I106 HydrophobicContact CB-CD1 4.37Å; L82-I106 HydrophobicContact CD2-CD1 3.87Å; V102-I106 HydrophobicContact CG1-CD1 3.83Å; V102-I106 WeakPolarHBondContact O-CG1 3.38Å; V102-I106 PolarHBondContact O-N 3.26Å; L103-I106 PolarHBondContact O-N 3.03Å; L103-I106 VanDerWaalsContact O-N 3.12Å; I106-R109 PolarHBondContact O-N 2.87Å; I106-A110 WeakPolarHBondContact O-CB 3.32Å; I106-A110 PolarHBondContact O-N 3Å
107I92.3Very high87.3Confident81 Ų8156.2 Ų56.242%0.41534%0.339SS..Hα-helixtrans-61.7-47.2-179.7-64.4168.6000109.8Y69 L103 R109 A110 A111Y69-I107 HydrophobicContact CE2-CG2 4.49Å; L103-I107 WeakPolarHBondContact O-CB 3.4Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.33Å; L103-I107 PolarHBondContact O-N 2.55Å; I107-R109 PolarHBondContact O-N 3.36Å; I107-A110 PolarHBondContact O-N 2.94Å; I107-A111 WeakPolarHBondContact O-CB 3.37Å; I107-A111 PolarHBondContact O-N 2.85Å
108G87.7Confident88.1Confident43 Ų4353.4 Ų53.444%0.44332%0.316SS..Hα-helixtrans-60.1-41.5-178.500000113.2G104G104-G108 WeakPolarHBondContact O-CA 3.38Å; G104-G108 PolarHBondContact O-N 3.48Å
109R88.1Confident88.8Confident161 Ų16153.5 Ų53.561%0.60832%0.315SS*.Hα-helixtrans-70.2-40175.7-73.1178.1-179.7157.41112.4S78 T105 I106 I107 A111S78-R109 PolarHBondContact OG-NH1 3.49Å; T105-R109 WeakPolarHBondContact O-CB 3.4Å; T105-R109 VanDerWaalsContact O-CG 3.3Å; T105-R109 WeakPolarHBondContact O-CG 3.29Å; T105-R109 PolarHBondContact O-N 2.92Å; I106-R109 PolarHBondContact O-N 2.87Å; I107-R109 PolarHBondContact O-N 3.36Å; R109-A111 VanDerWaalsContact C-N 3.32Å
110A92.4Very high89.3Confident2 Ų255.7 Ų55.72%0.01732%0.322CS..Hα-helixtrans-71.6-26.8179.200000112.9Y69 I73 I106 I107 V112 P114Y69-A110 HydrophobicContact CD2-CB 3.98Å; Y69-A110 HydrophobicContact CE2-CB 3.88Å; I73-A110 HydrophobicContact CD1-CB 3.55Å; I73-A110 HydrophobicContact CG1-CB 3.82Å; I106-A110 WeakPolarHBondContact O-CB 3.32Å; I106-A110 PolarHBondContact O-N 3Å; I107-A110 PolarHBondContact O-N 2.94Å; A110-V112 VanDerWaalsContact C-N 3.33Å; A110-V112 PolarHBondContact O-N 3.44Å; A110-P114 WeakPolarHBondContact O-CD 3.4Å
111A93.2Very high89.8Confident26 Ų2648.3 Ų48.322%0.21529%0.292CS..THydrogen-bonded Turntrans-77.5-11.1-177.800000114.4I107 R109 P114 V115I107-A111 WeakPolarHBondContact O-CB 3.37Å; I107-A111 PolarHBondContact O-N 2.85Å; R109-A111 VanDerWaalsContact C-N 3.32Å; A111-P114 VanDerWaalsContact C-CD 3.48Å; A111-P114 WeakPolarHBondContact O-CD 3.45Å; A111-P114 VanDerWaalsContact O-CG 3.26Å; A111-P114 WeakPolarHBondContact O-CG 3.43Å; A111-V115 VanDerWaalsContact O-CB 3.29Å; A111-V115 WeakPolarHBondContact O-CB 3.36Å; A111-V115 WeakPolarHBondContact O-CG2 3.5Å; A111-V115 PolarHBondContact O-N 3Å; A111-V115 VanDerWaalsContact O-N 3.11Å
112V89.8Confident90.3Very high92 Ų9246.8 Ų46.856%0.55828%0.276SS*.Hα-helixtrans-59.7-57.3-177.5178.10000111.3A110 V115 T116A110-V112 VanDerWaalsContact C-N 3.33Å; A110-V112 PolarHBondContact O-N 3.44Å; V112-V115 PolarHBondContact O-N 3.43Å; V112-T116 WeakPolarHBondContact O-CB 3.42Å; V112-T116 PolarHBondContact O-N 3.4Å; V112-T116 PolarHBondContact O-OG1 2.72Å
113A88.1Confident90.6Very high46 Ų4648.3 Ų48.338%0.3828%0.283SS..Hα-helixtrans-59.8-47.9-179.300000114.5F68 V115 T116 W117F68-A113 HydrophobicContact CB-CB 3.92Å; F68-A113 HydrophobicContact CG-CB 4.3Å; A113-V115 PolarHBondContact O-N 3.33Å; A113-T116 PolarHBondContact O-N 2.82Å; A113-W117 PolarHBondContact O-N 2.98Å
114P94.1Very high90.7Very high15 Ų1550 Ų5010%0.09728%0.283CS..Hα-helixtrans-65-37.8178.122.6-33.5000113.6A65 Y69 A110 A111 W117 A118A65-P114 HydrophobicContact CB-CB 3.85Å; A65-P114 WeakPolarHBondContact O-CB 3.16Å; Y69-P114 HydrophobicContact CD2-CG 4.26Å; A110-P114 WeakPolarHBondContact O-CD 3.4Å; A111-P114 VanDerWaalsContact C-CD 3.48Å; A111-P114 WeakPolarHBondContact O-CD 3.45Å; A111-P114 VanDerWaalsContact O-CG 3.26Å; A111-P114 WeakPolarHBondContact O-CG 3.43Å; P114-W117 PolarHBondContact O-N 3.5Å; P114-A118 WeakPolarHBondContact O-CB 3.29Å; P114-A118 PolarHBondContact O-N 3.44Å
115V93.3Very high91Very high32 Ų3248 Ų4819%0.19426%0.264CS..Hα-helixtrans-63.8-45.8174.8165.80000110.3A111 V112 A113 W117 A118 V119 M188 M192A111-V115 VanDerWaalsContact O-CB 3.29Å; A111-V115 WeakPolarHBondContact O-CB 3.36Å; A111-V115 WeakPolarHBondContact O-CG2 3.5Å; A111-V115 PolarHBondContact O-N 3Å; A111-V115 VanDerWaalsContact O-N 3.11Å; V112-V115 PolarHBondContact O-N 3.43Å; A113-V115 PolarHBondContact O-N 3.33Å; V115-W117 VanDerWaalsContact C-N 3.32Å; V115-W117 PolarHBondContact O-N 2.92Å; V115-A118 PolarHBondContact O-N 3.41Å; V115-V119 HydrophobicContact CG1-CG2 4.48Å; V115-V119 WeakPolarHBondContact O-CG2 3.25Å; V115-V119 PolarHBondContact O-N 3.3Å; V115-M188 HydrophobicContact CB-CE 4.48Å; V115-M188 HydrophobicContact CG1-CE 4.07Å; V115-M188 HydrophobicContact CG2-CE 4.33Å; V115-M192 HydrophobicContact CG1-CE 4.2Å; V115-M192 HydrophobicContact CG1-CG 3.9Å; V115-M192 HydrophobicContact CG1-SD 4.28Å; V115-M192 HydrophobicContact CG2-CE 4.4Å
116T90.3Very high91.2Very high70 Ų7048.5 Ų48.543%0.42926%0.261SS..Hα-helixtrans-59.7-43.1175.8-59.20000111.6V112 A113 V119 I120V112-T116 WeakPolarHBondContact O-CB 3.42Å; V112-T116 PolarHBondContact O-N 3.4Å; V112-T116 PolarHBondContact O-OG1 2.72Å; A113-T116 PolarHBondContact O-N 2.82Å; T116-V119 PolarHBondContact O-N 2.96Å; T116-I120 HydrophobicContact CG2-CD1 3.79Å; T116-I120 HydrophobicContact CG2-CG1 4.45Å; T116-I120 VanDerWaalsContact O-CG1 3.28Å; T116-I120 WeakPolarHBondContact O-CG1 3.37Å; T116-I120 PolarHBondContact O-N 3.2Å
117W92.7Very high91.3Very high64 Ų6448.6 Ų48.624%0.24226%0.263CS..Hα-helixtrans-60.4-47.2175.6173.3-100.2000112.5I61 P64 F68 A113 P114 V115 V119 I120 S121I61-W117 VanDerWaalsContact O-CD1 3.27Å; I61-W117 PolarHBondContact O-NE1 3.22Å; I61-W117 VanDerWaalsContact O-NE1 3.08Å; P64-W117 HydrophobicContact CB-CD2 4.2Å; P64-W117 HydrophobicContact CB-CG 4.49Å; P64-W117 HydrophobicContact CB-CZ2 3.91Å; P64-W117 HydrophobicContact CG-CZ2 3.82Å; F68-W117 HydrophobicContact CD2-CB 4.01Å; F68-W117 HydrophobicContact CD2-CG 4.28Å; F68-W117 HydrophobicContact CE2-CB 4.06Å; F68-W117 HydrophobicContact CE2-CD2 4.09Å; F68-W117 HydrophobicContact CE2-CE3 4.04Å; F68-W117 HydrophobicContact CE2-CG 4.1Å; A113-W117 PolarHBondContact O-N 2.98Å; P114-W117 PolarHBondContact O-N 3.5Å; V115-W117 VanDerWaalsContact C-N 3.32Å; V115-W117 PolarHBondContact O-N 2.92Å; W117-V119 PolarHBondContact O-N 3.19Å; W117-I120 PolarHBondContact O-N 2.95Å; W117-S121 PolarHBondContact NE1-OG 2.97Å; W117-S121 WeakPolarHBondContact O-CB 3.43Å; W117-S121 PolarHBondContact O-N 2.95Å; W117-S121 PolarHBondContact O-OG 3.41Å
118A92.9Very high91.4Very high15 Ų1546.4 Ų46.412%0.12425%0.25CC..Hα-helixtrans-61.5-44.7178.600000111.5P114 V115 S121 L122 M188P114-A118 WeakPolarHBondContact O-CB 3.29Å; P114-A118 PolarHBondContact O-N 3.44Å; V115-A118 PolarHBondContact O-N 3.41Å; A118-S121 PolarHBondContact O-N 3.41Å; A118-L122 WeakPolarHBondContact O-CB 3.42Å; A118-L122 VanDerWaalsContact O-CG 3.31Å; A118-L122 WeakPolarHBondContact O-CG 3.26Å; A118-L122 PolarHBondContact O-N 3.37Å; A118-M188 HydrophobicContact CB-CE 4.12Å; A118-M188 HydrophobicContact CB-SD 4.31Å
119V92.8Very high91.7Very high17 Ų1744.9 Ų44.910%0.10323%0.232CC..Hα-helixtrans-58.8-50.1175.1167.60000111V115 T116 W117 S121 L122 L123 M188 V189V115-V119 HydrophobicContact CG1-CG2 4.48Å; V115-V119 WeakPolarHBondContact O-CG2 3.25Å; V115-V119 PolarHBondContact O-N 3.3Å; T116-V119 PolarHBondContact O-N 2.96Å; W117-V119 PolarHBondContact O-N 3.19Å; V119-S121 VanDerWaalsContact C-N 3.29Å; V119-S121 PolarHBondContact O-N 2.96Å; V119-L122 PolarHBondContact O-N 3.07Å; V119-L123 HydrophobicContact CG1-CD1 3.79Å; V119-L123 HydrophobicContact CG1-CG 4.29Å; V119-L123 WeakPolarHBondContact O-CB 3.48Å; V119-L123 VanDerWaalsContact O-CG 3.3Å; V119-L123 WeakPolarHBondContact O-CG 3.1Å; V119-L123 PolarHBondContact O-N 3.03Å; V119-M188 HydrophobicContact CG2-CB 4.35Å; V119-M188 HydrophobicContact CG2-CG 4.06Å; V119-M188 HydrophobicContact CG2-SD 3.74Å; V119-V189 HydrophobicContact CB-CG2 4.38Å; V119-V189 HydrophobicContact CG1-CG2 3.44Å; V119-V189 VanDerWaalsContact CG1-CG2 3.44Å; V119-V189 HydrophobicContact CG2-CG2 3.96Å
120I90.4Very high92Very high69 Ų6937.2 Ų37.235%0.35420%0.203SC..Hα-helixtrans-60.4-42.5179.4-69.4168.6000110.7T116 W117 L123 R124T116-I120 HydrophobicContact CG2-CD1 3.79Å; T116-I120 HydrophobicContact CG2-CG1 4.45Å; T116-I120 VanDerWaalsContact O-CG1 3.28Å; T116-I120 WeakPolarHBondContact O-CG1 3.37Å; T116-I120 PolarHBondContact O-N 3.2Å; W117-I120 PolarHBondContact O-N 2.95Å; I120-L123 PolarHBondContact O-N 3.43Å; I120-R124 WeakPolarHBondContact O-CG 3.41Å; I120-R124 PolarHBondContact O-N 3.42Å
121S91.6Very high92.1Very high13 Ų1337.6 Ų37.69%0.09121%0.206CC..Hα-helixtrans-63.7-42.9178.9-57.30000112.1W117 A118 V119 R124 G125W117-S121 PolarHBondContact NE1-OG 2.97Å; W117-S121 WeakPolarHBondContact O-CB 3.43Å; W117-S121 PolarHBondContact O-N 2.95Å; W117-S121 PolarHBondContact O-OG 3.41Å; A118-S121 PolarHBondContact O-N 3.41Å; V119-S121 VanDerWaalsContact C-N 3.29Å; V119-S121 PolarHBondContact O-N 2.96Å; S121-R124 PolarHBondContact O-N 2.91Å; S121-G125 PolarHBondContact O-N 3.11Å
122L92.6Very high92.1Very high26 Ų2638.5 Ų38.514%0.13621%0.207CC..Hα-helixtrans-67.6-39.5176.6-73.6170.9000112.4A118 V119 G125 Y128 S181 M188A118-L122 WeakPolarHBondContact O-CB 3.42Å; A118-L122 VanDerWaalsContact O-CG 3.31Å; A118-L122 WeakPolarHBondContact O-CG 3.26Å; A118-L122 PolarHBondContact O-N 3.37Å; V119-L122 PolarHBondContact O-N 3.07Å; L122-G125 PolarHBondContact O-N 3.43Å; L122-Y128 HydrophobicContact CD2-CD2 3.94Å; L122-S181 WeakPolarHBondContact CA-OG 3.45Å; L122-S181 CarbonylContact O-C 3.51Å; L122-S181 WeakPolarHBondContact O-CB 3.48Å; L122-S181 PolarHBondContact O-OG 3.33Å; L122-M188 HydrophobicContact CD1-SD 4.2Å
123L91.1Very high92.1Very high51 Ų5134.2 Ų34.227%0.26718%0.181SC..Hα-helixtrans-69.3-33177.7-69.2177.1000112.4V119 I120 Q182 W186V119-L123 HydrophobicContact CG1-CD1 3.79Å; V119-L123 HydrophobicContact CG1-CG 4.29Å; V119-L123 WeakPolarHBondContact O-CB 3.48Å; V119-L123 VanDerWaalsContact O-CG 3.3Å; V119-L123 WeakPolarHBondContact O-CG 3.1Å; V119-L123 PolarHBondContact O-N 3.03Å; I120-L123 PolarHBondContact O-N 3.43Å; L123-Q182 WeakPolarHBondContact O-CG 3.19Å; L123-Q182 PolarHBondContact O-NE2 3.08Å; L123-W186 HydrophobicContact CD2-CD2 4.27Å; L123-W186 HydrophobicContact CD2-CG 4.23Å
124R90.6Very high92.2Very high114 Ų11432.5 Ų32.543%0.4317%0.165SC..Hα-helixtrans-66.3-42.1169.2-73.9-179-176.8-179.52.4111.6I120 S121 E126I120-R124 WeakPolarHBondContact O-CG 3.41Å; I120-R124 PolarHBondContact O-N 3.42Å; S121-R124 PolarHBondContact O-N 2.91Å; R124-E126 PolarHBondContact O-N 3.22Å
125G90.8Very high91.9Very high0 Ų037.5 Ų37.50%019%0.186CC..  trans78.7-10.8173.500000116S121 L122 A127 Y128 V129 S181S121-G125 PolarHBondContact O-N 3.11Å; L122-G125 PolarHBondContact O-N 3.43Å; G125-A127 PolarHBondContact O-N 2.94Å; G125-Y128 PolarHBondContact O-N 3.36Å; G125-V129 WeakPolarHBondContact O-CB 3.33Å; G125-V129 WeakPolarHBondContact O-CG2 3.27Å; G125-V129 PolarHBondContact O-N 3.2Å; G125-S181 WeakPolarHBondContact CA-OG 3.43Å
126E91.1Very high91.7Very high74 Ų7436.6 Ų36.635%0.34618%0.18SC..Hα-helixtrans-58.8-48.8-178.5-65.2167.6-175.900112.7F44 R124 Y128 V129 C130F44-E126 HydrophobicContact CD1-CB 3.94Å; F44-E126 HydrophobicContact CE1-CB 4.37Å; R124-E126 PolarHBondContact O-N 3.22Å; E126-Y128 PolarHBondContact O-N 3.48Å; E126-V129 PolarHBondContact O-N 2.84Å; E126-C130 WeakPolarHBondContact O-CB 3.43Å; E126-C130 PolarHBondContact O-N 3.06Å
127A92.1Very high91.5Very high9 Ų937.3 Ų37.37%0.07418%0.181CC..Hα-helixtrans-68.1-34179.300000112.8F44 I61 G125 A131F44-A127 HydrophobicContact CE1-CB 4.42Å; F44-A127 HydrophobicContact CE2-CB 4.09Å; F44-A127 HydrophobicContact CZ-CB 4.02Å; I61-A127 HydrophobicContact CD1-CB 3.88Å; I61-A127 HydrophobicContact CG1-CB 3.74Å; G125-A127 PolarHBondContact O-N 2.94Å; A127-A131 VanDerWaalsContact O-CB 3.26Å; A127-A131 WeakPolarHBondContact O-CB 3.15Å; A127-A131 PolarHBondContact O-N 3.12Å
128Y94.4Very high91Very high35 Ų3535.9 Ų35.914%0.13718%0.18CC..Hα-helixtrans-70.7-45.1176.4-173.8-85.2000111.6L122 G125 E126 C130 A131 L132 L177 E180 S181 L184L122-Y128 HydrophobicContact CD2-CD2 3.94Å; G125-Y128 PolarHBondContact O-N 3.36Å; E126-Y128 PolarHBondContact O-N 3.48Å; Y128-C130 VanDerWaalsContact C-N 3.31Å; Y128-C130 PolarHBondContact O-N 2.85Å; Y128-A131 PolarHBondContact O-N 2.99Å; Y128-L132 HydrophobicContact CD1-CD1 4.24Å; Y128-L132 HydrophobicContact CD2-CD1 4.4Å; Y128-L132 HydrophobicContact CE1-CB 4.47Å; Y128-L132 HydrophobicContact CE1-CD1 3.51Å; Y128-L132 HydrophobicContact CE1-CG 4.29Å; Y128-L132 HydrophobicContact CE2-CD1 3.68Å; Y128-L132 HydrophobicContact CE2-CG 4.46Å; Y128-L132 PolarHBondContact O-N 3.12Å; Y128-L132 WeakPolarHBondContact OH-CD1 3.47Å; Y128-L177 WeakPolarHBondContact CD1-O 3.37Å; Y128-L177 HydrophobicContact CE1-CD2 4.4Å; Y128-E180 HydrophobicContact CE1-CB 3.88Å; Y128-S181 WeakPolarHBondContact CB-OG 3.39Å; Y128-L184 HydrophobicContact CD2-CD1 4.5Å; Y128-L184 HydrophobicContact CE2-CD1 3.51Å
129V93.9Very high90.5Very high12 Ų1239.6 Ų39.67%0.07321%0.206CC..Hα-helixtrans-57.5-47.7173.7171.30000109.8G125 E126 A131 S133 P157 L177 K178G125-V129 WeakPolarHBondContact O-CB 3.33Å; G125-V129 WeakPolarHBondContact O-CG2 3.27Å; G125-V129 PolarHBondContact O-N 3.2Å; E126-V129 PolarHBondContact O-N 2.84Å; V129-A131 PolarHBondContact O-N 3.39Å; V129-S133 VanDerWaalsContact O-CB 3.24Å; V129-S133 WeakPolarHBondContact O-CB 3.42Å; V129-S133 PolarHBondContact O-N 3.43Å; V129-P157 HydrophobicContact CG1-CB 4.48Å; V129-P157 HydrophobicContact CG1-CG 4.45Å; V129-L177 HydrophobicContact CB-CB 4.39Å; V129-L177 HydrophobicContact CG1-CD1 4.25Å; V129-L177 HydrophobicContact CG2-CB 3.75Å; V129-K178 HydrophobicContact CG2-CG 3.68Å
130C93.5Very high90.1Very high0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-60.1-45.6175.8-177.60000111.8F44 C46 N53 E126 Y128F44-C130 HydrophobicContact CE1-CB 3.64Å; F44-C130 HydrophobicContact CZ-CB 3.59Å; C46-C130 HydrophobicContact CB-CB 3.75Å; C46-C130 WeakPolarHBondContact CB-SG 3.29Å; C46-C130 WeakPolarHBondContact SG-CB 3.27Å; C46-C130 CovalentContact SG-SG 2.04Å; C46-C130 PolarHBondContact SG-SG 2.94Å; N53-C130 VanDerWaalsContact CB-O 3.29Å; N53-C130 WeakPolarHBondContact CB-O 3.16Å; E126-C130 WeakPolarHBondContact O-CB 3.43Å; E126-C130 PolarHBondContact O-N 3.06Å; Y128-C130 VanDerWaalsContact C-N 3.31Å; Y128-C130 PolarHBondContact O-N 2.85Å
131A94Very high89.7Confident10 Ų1039.2 Ų39.28%0.08321%0.206CC..Hα-helixtrans-68.7-36.2-175.900000113.9A127 Y128 V129A127-A131 VanDerWaalsContact O-CB 3.26Å; A127-A131 WeakPolarHBondContact O-CB 3.15Å; A127-A131 PolarHBondContact O-N 3.12Å; Y128-A131 PolarHBondContact O-N 2.99Å; V129-A131 PolarHBondContact O-N 3.39Å
132L93.7Very high89.2Confident45 Ų4547.4 Ų47.424%0.23624%0.243CC..Hα-helixtrans-105.1-6-172.7-68.2-166.3000115.2Y128 E134 F135 L177Y128-L132 HydrophobicContact CD1-CD1 4.24Å; Y128-L132 HydrophobicContact CD2-CD1 4.4Å; Y128-L132 HydrophobicContact CE1-CB 4.47Å; Y128-L132 HydrophobicContact CE1-CD1 3.51Å; Y128-L132 HydrophobicContact CE1-CG 4.29Å; Y128-L132 HydrophobicContact CE2-CD1 3.68Å; Y128-L132 HydrophobicContact CE2-CG 4.46Å; Y128-L132 PolarHBondContact O-N 3.12Å; Y128-L132 WeakPolarHBondContact OH-CD1 3.47Å; L132-E134 PolarHBondContact O-N 2.99Å; L132-F135 HydrophobicContact CD2-CD2 3.82Å; L132-F135 HydrophobicContact CD2-CE2 4.46Å; L132-F135 PolarHBondContact O-N 3.39Å; L132-L177 HydrophobicContact CB-CD2 4.02Å
133S90.4Very high88.4Confident1 Ų149.7 Ų49.71%0.00727%0.272CS..G310 helixtrans-55.3-39.1-179.772.90000112.4N53 V129 F135 V136 M153 P157N53-S133 PolarHBondContact ND2-OG 3.41Å; V129-S133 VanDerWaalsContact O-CB 3.24Å; V129-S133 WeakPolarHBondContact O-CB 3.42Å; V129-S133 PolarHBondContact O-N 3.43Å; S133-F135 PolarHBondContact O-N 2.68Å; S133-V136 PolarHBondContact O-N 3.35Å; S133-M153 CarbonylContact C-O 3.6Å; S133-M153 WeakPolarHBondContact CB-O 3.25Å; S133-M153 WeakPolarHBondContact O-CB 3.44Å; S133-M153 PolarHBondContact OG-O 2.86Å; S133-M153 VanDerWaalsContact OG-O 3.14Å; S133-P157 VanDerWaalsContact OG-CD 3.31Å; S133-P157 WeakPolarHBondContact OG-CD 3.21Å; S133-P157 WeakPolarHBondContact OG-CG 3.37Å
134E89Confident87.8Confident10 Ų1048.4 Ų48.45%0.04727%0.265CS..G310 helixtrans-68.1-20.418067.8-175.9173.100113.7S50 G51 Y54 L132 L150 A154S50-E134 WeakPolarHBondContact CA-OE2 3.22Å; G51-E134 PolarHBondContact N-OE2 3.09Å; Y54-E134 WeakPolarHBondContact CB-OE1 3.26Å; L132-E134 PolarHBondContact O-N 2.99Å; E134-L150 WeakPolarHBondContact O-CD2 3.49Å; E134-A154 HydrophobicContact CB-CB 4.14Å
135F89.4Confident87.1Confident121 Ų12145.3 Ų45.353%0.53126%0.259SS..G310 helixtrans-98.33.7-178-59.3-69.7000113.8Y54 L132 S133 D137Y54-F135 AromaticContact CD2-CE2 3.83Å; Y54-F135 HydrophobicContact CD2-CE2 3.83Å; Y54-F135 HydrophobicContact CG-CE2 4.05Å; Y54-F135 HydrophobicContact CG-CZ 4.47Å; L132-F135 HydrophobicContact CD2-CD2 3.82Å; L132-F135 HydrophobicContact CD2-CE2 4.46Å; L132-F135 PolarHBondContact O-N 3.39Å; S133-F135 PolarHBondContact O-N 2.68Å; F135-D137 PolarHBondContact O-N 3.47Å
136V88.4Confident85.9Confident12 Ų1251.3 Ų51.37%0.07330%0.301CS..  trans-69.2123.4174.8178.30000109.2S133 P138 M153 I173 L177S133-V136 PolarHBondContact O-N 3.35Å; V136-P138 VanDerWaalsContact O-CD 3.23Å; V136-P138 WeakPolarHBondContact O-CD 3.19Å; V136-M153 HydrophobicContact CB-SD 4.4Å; V136-I173 HydrophobicContact CG2-CG2 4.32Å; V136-L177 HydrophobicContact CG2-CD1 3.91Å; V136-L177 HydrophobicContact CG2-CD2 3.86Å; V136-L177 HydrophobicContact CG2-CG 4.11Å
137D86.2Confident84.8Confident85 Ų8551.9 Ų51.946%0.45533%0.327SS..  trans-70.7114.5176.7-174.7-11.6000110.4F135 S139 T140F135-D137 PolarHBondContact O-N 3.47Å; D137-S139 PolarHBondContact O-N 2.95Å; D137-S139 WeakPolarHBondContact OD1-CB 3.43Å; D137-S139 PolarHBondContact OD1-N 2.98Å; D137-S139 PolarHBondContact OD1-OG 3.42Å; D137-S139 PolarHBondContact OD2-OG 3.39Å; D137-T140 HydrophobicContact CB-CG2 4.1Å; D137-T140 PolarHBondContact O-N 2.54Å; D137-T140 VanDerWaalsContact O-N 3.16Å; D137-T140 PolarHBondContact O-OG1 2.87Å
138P83.1Confident83.5Confident34 Ų3454.6 Ų54.622%0.22134%0.338CS..G310 helixtrans-63.5-23.6-178.7-1830.8000113.5V136 T140 L141 F144 M153V136-P138 VanDerWaalsContact O-CD 3.23Å; V136-P138 WeakPolarHBondContact O-CD 3.19Å; P138-T140 PolarHBondContact O-N 3.37Å; P138-L141 PolarHBondContact O-N 2.83Å; P138-L141 VanDerWaalsContact O-N 3.16Å; P138-F144 HydrophobicContact CB-CD1 3.48Å; P138-F144 VanDerWaalsContact CB-CD1 3.48Å; P138-F144 HydrophobicContact CB-CE1 3.67Å; P138-F144 HydrophobicContact CB-CG 4.25Å; P138-F144 HydrophobicContact CG-CE1 4.41Å; P138-M153 HydrophobicContact CB-CE 4.15Å; P138-M153 HydrophobicContact CG-CE 4.09Å; P138-M153 HydrophobicContact CG-CG 4.28Å
139S81.6Confident82.4Confident94 Ų9454.9 Ų54.966%0.65735%0.352SS*.G310 helixtrans-67.3-18.7178.770.30000113.3D137 L141D137-S139 PolarHBondContact O-N 2.95Å; D137-S139 WeakPolarHBondContact OD1-CB 3.43Å; D137-S139 PolarHBondContact OD1-N 2.98Å; D137-S139 PolarHBondContact OD1-OG 3.42Å; D137-S139 PolarHBondContact OD2-OG 3.39Å; S139-L141 PolarHBondContact O-N 2.84Å
140T84.1Confident81.2Confident68 Ų6859.4 Ų59.442%0.41738%0.375SS..G310 helixtrans-80.3-4.2176.564.70000113.5D137 P138 R176D137-T140 HydrophobicContact CB-CG2 4.1Å; D137-T140 PolarHBondContact O-N 2.54Å; D137-T140 VanDerWaalsContact O-N 3.16Å; D137-T140 PolarHBondContact O-OG1 2.87Å; P138-T140 PolarHBondContact O-N 3.37Å; T140-R176 PolarHBondContact OG1-NH1 3.32Å
141L82.3Confident80.4Confident9 Ų965 Ų655%0.04740%0.401CS..SBendtrans-105.9115.7179.5-63.4167.5000109.8P138 S139 G143 F144 M153 F169 E172 I173P138-L141 PolarHBondContact O-N 2.83Å; P138-L141 VanDerWaalsContact O-N 3.16Å; S139-L141 PolarHBondContact O-N 2.84Å; L141-G143 PolarHBondContact O-N 2.92Å; L141-F144 HydrophobicContact CB-CB 3.81Å; L141-F144 HydrophobicContact CB-CG 4.43Å; L141-F144 HydrophobicContact CD1-CD2 4.06Å; L141-F144 HydrophobicContact CD1-CG 4.43Å; L141-F144 WeakPolarHBondContact O-CB 3.3Å; L141-F144 PolarHBondContact O-N 3.4Å; L141-M153 HydrophobicContact CD1-CE 4.47Å; L141-F169 HydrophobicContact CB-CD1 4.41Å; L141-E172 HydrophobicContact CD2-CG 4.26Å; L141-I173 HydrophobicContact CD1-CD1 3.67Å; L141-I173 HydrophobicContact CD1-CG1 3.83Å; L141-I173 HydrophobicContact CD2-CG1 4.08Å
142E80.3Confident79.9Confident186 Ų18665.7 Ų65.787%0.86940%0.404SS*.THydrogen-bonded Turntrans-63.7125.5179.7-71.3-171.9172.600111.4F144 F169E142-F144 VanDerWaalsContact C-N 3.32Å; E142-F144 PolarHBondContact O-N 2.9Å; E142-F169 WeakPolarHBondContact O-CE1 3.37Å
143G75.9Confident79.5Confident73 Ų7363.6 Ų63.675%0.75339%0.393SS*.THydrogen-bonded Turntrans79.79179.200000114.8L141L141-G143 PolarHBondContact O-N 2.92Å
144F79.8Confident79.3Confident24 Ų2463.5 Ų63.511%0.10539%0.393CS..PPolyproline II helixtrans-71132.8173.3-166.1-90.1000111.1P138 L141 E142 S146 Q148 M153 F156 M166 F169P138-F144 HydrophobicContact CB-CD1 3.48Å; P138-F144 VanDerWaalsContact CB-CD1 3.48Å; P138-F144 HydrophobicContact CB-CE1 3.67Å; P138-F144 HydrophobicContact CB-CG 4.25Å; P138-F144 HydrophobicContact CG-CE1 4.41Å; L141-F144 HydrophobicContact CB-CB 3.81Å; L141-F144 HydrophobicContact CB-CG 4.43Å; L141-F144 HydrophobicContact CD1-CD2 4.06Å; L141-F144 HydrophobicContact CD1-CG 4.43Å; L141-F144 WeakPolarHBondContact O-CB 3.3Å; L141-F144 PolarHBondContact O-N 3.4Å; E142-F144 VanDerWaalsContact C-N 3.32Å; E142-F144 PolarHBondContact O-N 2.9Å; F144-S146 PolarHBondContact O-N 3.43Å; F144-Q148 HydrophobicContact CE1-CB 4.01Å; F144-Q148 HydrophobicContact CZ-CB 4.37Å; F144-M153 HydrophobicContact CD1-CE 4.43Å; F144-M153 HydrophobicContact CD2-CE 4.18Å; F144-M153 HydrophobicContact CE1-CE 3.66Å; F144-M153 HydrophobicContact CE2-CE 3.38Å; F144-M153 HydrophobicContact CZ-CE 3.07Å; F144-F156 HydrophobicContact CE2-CZ 4.17Å; F144-M166 HydrophobicContact CE2-CG 4.34Å; F144-M166 HydrophobicContact CE2-SD 4.33Å; F144-M166 HydrophobicContact CZ-SD 4.25Å; F144-F169 AromaticContact CD2-CD2 4Å; F144-F169 HydrophobicContact CD2-CD2 4Å; F144-F169 HydrophobicContact CD2-CE2 4.2Å; F144-F169 HydrophobicContact CD2-CG 4.18Å; F144-F169 HydrophobicContact CE2-CD2 4.45Å
145P76.1Confident79.2Confident49 Ų4967.5 Ų67.532%0.31841%0.407SS..PPolyproline II helixtrans-64.2129.1-175.922.7-31.7000112.3Q148 M166P145-Q148 HydrophobicContact CB-CG 4.49Å; P145-Q148 HydrophobicContact CG-CG 4.3Å; P145-M166 HydrophobicContact CG-CE 3.53Å
146S65.8Low79.1Confident126 Ų12662 Ų6288%0.88138%0.383SS*.THydrogen-bonded Turntrans-68.7136.8179.450.80000111.6F144F144-S146 PolarHBondContact O-N 3.43Å
147G66.7Low79Confident86 Ų8663 Ų6389%0.88739%0.39SS*.THydrogen-bonded Turntrans92.2-1.8179.300000115.6
148Q65.8Low79.1Confident67 Ų6760.3 Ų60.331%0.31338%0.378SS..  trans-92.4114.6170.8-60.6-147.527.300110.3F144 P145 V152 M166F144-Q148 HydrophobicContact CE1-CB 4.01Å; F144-Q148 HydrophobicContact CZ-CB 4.37Å; P145-Q148 HydrophobicContact CB-CG 4.49Å; P145-Q148 HydrophobicContact CG-CG 4.3Å; Q148-V152 HydrophobicContact CB-CG2 4.32Å; Q148-M166 HydrophobicContact CG-CE 4.26Å
149G70.2Confident78.9Confident40 Ų4064.3 Ų64.341%0.41239%0.391SS..  trans-102.3-157.5-163.400000116.7E151 V152 M153G149-E151 PolarHBondContact O-N 3.31Å; G149-E151 VanDerWaalsContact O-N 3.1Å; G149-V152 PolarHBondContact O-N 2.87Å; G149-V152 VanDerWaalsContact O-N 3.11Å; G149-M153 PolarHBondContact O-N 3.25Å
150L68.1Low78.6Confident107 Ų10765.4 Ų65.456%0.5640%0.399SS*.Hα-helixtrans-46.3-36.5-179.3-69.2155.7000114.2E134 M153 A154E134-L150 WeakPolarHBondContact O-CD2 3.49Å; L150-M153 PolarHBondContact O-N 3.29Å; L150-A154 PolarHBondContact O-N 3.4Å
151E78.3Confident78.3Confident119 Ų11965.1 Ų65.156%0.55640%0.397SS*.Hα-helixtrans-69.5-35.3-176.2-163.7-176.1160.400113G149 R155G149-E151 PolarHBondContact O-N 3.31Å; G149-E151 VanDerWaalsContact O-N 3.1Å; E151-R155 IonicContact OE1-NH2 3.42Å; E151-R155 PolarHBondContact OE1-NH2 2.64Å
152V83.5Confident78.2Confident23 Ų2365.3 Ų65.314%0.13940%0.399CS..Hα-helixtrans-73.8-41.4176.3-176.50000109.4Q148 G149 A154 R155 F156 M166Q148-V152 HydrophobicContact CB-CG2 4.32Å; G149-V152 PolarHBondContact O-N 2.87Å; G149-V152 VanDerWaalsContact O-N 3.11Å; V152-A154 VanDerWaalsContact C-N 3.29Å; V152-A154 PolarHBondContact O-N 3.25Å; V152-R155 PolarHBondContact O-N 2.88Å; V152-F156 HydrophobicContact CG1-CE2 4.05Å; V152-F156 WeakPolarHBondContact O-CD2 3.46Å; V152-F156 WeakPolarHBondContact O-CE2 3.22Å; V152-M166 HydrophobicContact CG1-SD 3.5Å; V152-M166 VanDerWaalsContact CG1-SD 3.5Å
153M84Confident78.2Confident1 Ų158.9 Ų58.91%0.00537%0.373CS..Hα-helixtrans-58.8-36.7175.3-72-60.2138.800113.1S133 V136 P138 L141 F144 G149 L150 R155 F156 I173S133-M153 CarbonylContact C-O 3.6Å; S133-M153 WeakPolarHBondContact CB-O 3.25Å; S133-M153 WeakPolarHBondContact O-CB 3.44Å; S133-M153 PolarHBondContact OG-O 2.86Å; S133-M153 VanDerWaalsContact OG-O 3.14Å; V136-M153 HydrophobicContact CB-SD 4.4Å; P138-M153 HydrophobicContact CB-CE 4.15Å; P138-M153 HydrophobicContact CG-CE 4.09Å; P138-M153 HydrophobicContact CG-CG 4.28Å; L141-M153 HydrophobicContact CD1-CE 4.47Å; F144-M153 HydrophobicContact CD1-CE 4.43Å; F144-M153 HydrophobicContact CD2-CE 4.18Å; F144-M153 HydrophobicContact CE1-CE 3.66Å; F144-M153 HydrophobicContact CE2-CE 3.38Å; F144-M153 HydrophobicContact CZ-CE 3.07Å; G149-M153 PolarHBondContact O-N 3.25Å; L150-M153 PolarHBondContact O-N 3.29Å; M153-R155 PolarHBondContact O-N 2.9Å; M153-F156 HydrophobicContact CE-CE2 3.67Å; M153-F156 HydrophobicContact CE-CZ 4.13Å; M153-F156 PolarHBondContact O-N 2.83Å; M153-F156 HydrophobicContact SD-CD2 4.08Å; M153-F156 HydrophobicContact SD-CE2 3.82Å; M153-I173 HydrophobicContact SD-CD1 4.33Å
154A86.1Confident78.3Confident0 Ų063.6 Ų63.60%038%0.375CS..THydrogen-bonded Turntrans-65.5-19.6174.800000114.1C48 N53 E134 L150 V152 P157C48-A154 CarbonylContact C-O 3.42Å; C48-A154 VanDerWaalsContact CA-O 3.26Å; C48-A154 WeakPolarHBondContact CA-O 3.43Å; N53-A154 PolarHBondContact ND2-O 2.04Å; E134-A154 HydrophobicContact CB-CB 4.14Å; L150-A154 PolarHBondContact O-N 3.4Å; V152-A154 VanDerWaalsContact C-N 3.29Å; V152-A154 PolarHBondContact O-N 3.25Å; A154-P157 WeakPolarHBondContact O-CD 3.46Å
155R87.9Confident78.1Confident93 Ų9370.3 Ų70.335%0.35141%0.407SS..THydrogen-bonded Turntrans-88.8-15.4-178.8-65.9-178.3-168.81697.5114E151 V152 M153 C158 T161E151-R155 IonicContact OE1-NH2 3.42Å; E151-R155 PolarHBondContact OE1-NH2 2.64Å; V152-R155 PolarHBondContact O-N 2.88Å; M153-R155 PolarHBondContact O-N 2.9Å; R155-C158 CarbonylContact O-C 3.19Å; R155-C158 PolarHBondContact O-N 3.21Å; R155-T161 PolarHBondContact O-OG1 2.94Å
156F86.3Confident78.1Confident6 Ų668.1 Ų68.13%0.02639%0.393CS..THydrogen-bonded Turntrans-57.2-34.5-177.9-81-92.3000115.8F144 V152 M153 C158 V162 M166 F169 W170 I173F144-F156 HydrophobicContact CE2-CZ 4.17Å; V152-F156 HydrophobicContact CG1-CE2 4.05Å; V152-F156 WeakPolarHBondContact O-CD2 3.46Å; V152-F156 WeakPolarHBondContact O-CE2 3.22Å; M153-F156 HydrophobicContact CE-CE2 3.67Å; M153-F156 HydrophobicContact CE-CZ 4.13Å; M153-F156 PolarHBondContact O-N 2.83Å; M153-F156 HydrophobicContact SD-CD2 4.08Å; M153-F156 HydrophobicContact SD-CE2 3.82Å; F156-C158 PolarHBondContact O-N 3.38Å; F156-C158 VanDerWaalsContact O-N 3.16Å; F156-V162 HydrophobicContact CD1-CG1 4.47Å; F156-V162 HydrophobicContact CD1-CG2 4.41Å; F156-V162 HydrophobicContact CE1-CG1 4.14Å; F156-V162 HydrophobicContact CZ-CG1 4.46Å; F156-M166 HydrophobicContact CZ-CB 4.26Å; F156-F169 HydrophobicContact CE1-CB 4.25Å; F156-W170 HydrophobicContact CD1-CB 4.31Å; F156-W170 PolarHBondContact O-NE1 3.07Å; F156-I173 HydrophobicContact CD1-CD1 3.54Å; F156-I173 HydrophobicContact CD2-CD1 4.34Å; F156-I173 HydrophobicContact CE1-CD1 3.39Å; F156-I173 HydrophobicContact CE2-CD1 4.18Å; F156-I173 HydrophobicContact CG-CD1 4.03Å; F156-I173 HydrophobicContact CZ-CD1 3.71Å
157P86.8Confident78.8Confident34 Ų3466.5 Ų66.522%0.22137%0.371CS..THydrogen-bonded Turntrans-60.9-24.5174.7-23.134.3000113.1C46 V129 S133 A154C46-P157 HydrophobicContact CB-CB 3.99Å; V129-P157 HydrophobicContact CG1-CB 4.48Å; V129-P157 HydrophobicContact CG1-CG 4.45Å; S133-P157 VanDerWaalsContact OG-CD 3.31Å; S133-P157 WeakPolarHBondContact OG-CD 3.21Å; S133-P157 WeakPolarHBondContact OG-CG 3.37Å; A154-P157 WeakPolarHBondContact O-CD 3.46Å
158C88.5Confident79.4Confident28 Ų2865.7 Ų65.719%0.18936%0.363CS..SBendtrans-104.791179-63.20000110.7C46 C48 R155 F156 S160 T161C46-C158 PolarHBondContact O-SG 2.86Å; C46-C158 VanDerWaalsContact O-SG 3.35Å; C48-C158 HydrophobicContact CB-CB 3.7Å; C48-C158 WeakPolarHBondContact CB-SG 3.12Å; C48-C158 WeakPolarHBondContact SG-CB 3.22Å; C48-C158 PolarHBondContact SG-N 3.45Å; C48-C158 CovalentContact SG-SG 2.01Å; C48-C158 PolarHBondContact SG-SG 2.99Å; R155-C158 CarbonylContact O-C 3.19Å; R155-C158 PolarHBondContact O-N 3.21Å; F156-C158 PolarHBondContact O-N 3.38Å; F156-C158 VanDerWaalsContact O-N 3.16Å; C158-S160 PolarHBondContact O-N 3.23Å; C158-T161 HydrophobicContact CB-CG2 4.06Å; C158-T161 VanDerWaalsContact CB-OG1 3.29Å; C158-T161 WeakPolarHBondContact CB-OG1 3.28Å; C158-T161 PolarHBondContact O-N 2.96Å; C158-T161 PolarHBondContact O-OG1 3.46Å
159K78.8Confident80.3Confident117 Ų11764.1 Ų64.151%0.50936%0.355SS..G310 helixtrans-47.3-34.5-177.6-174.9176.4-179.7176.60114.7T161 W170K159-T161 VanDerWaalsContact C-N 3.32Å; K159-T161 PolarHBondContact O-N 2.85Å; K159-W170 HydrophobicContact CB-CZ2 4.13Å; K159-W170 HydrophobicContact CD-CH2 4.16Å; K159-W170 HydrophobicContact CD-CZ2 4.17Å; K159-W170 HydrophobicContact CD-CZ3 4.41Å; K159-W170 HydrophobicContact CG-CD2 4.48Å; K159-W170 HydrophobicContact CG-CZ2 4.38Å
160S76.4Confident81.1Confident117 Ų11764.6 Ų64.682%0.81834%0.344SS*.G310 helixtrans-74.4-16.9-179.5510000114.6C158C158-S160 PolarHBondContact O-N 3.23Å
161T77.7Confident81.9Confident63 Ų6362.1 Ų62.139%0.38734%0.339SS..G310 helixtrans-103.9-4.9-175.265.80000113.6R155 C158 K159R155-T161 PolarHBondContact O-OG1 2.94Å; C158-T161 HydrophobicContact CB-CG2 4.06Å; C158-T161 VanDerWaalsContact CB-OG1 3.29Å; C158-T161 WeakPolarHBondContact CB-OG1 3.28Å; C158-T161 PolarHBondContact O-N 2.96Å; C158-T161 PolarHBondContact O-OG1 3.46Å; K159-T161 VanDerWaalsContact C-N 3.32Å; K159-T161 PolarHBondContact O-N 2.85Å
162V79.7Confident82.4Confident13 Ų1360.7 Ų60.78%0.07933%0.333CS..SBendtrans-76.7131.6178.2-176.70000109.5F156 M166F156-V162 HydrophobicContact CD1-CG1 4.47Å; F156-V162 HydrophobicContact CD1-CG2 4.41Å; F156-V162 HydrophobicContact CE1-CG1 4.14Å; F156-V162 HydrophobicContact CZ-CG1 4.46Å; V162-M166 HydrophobicContact CG1-CB 3.96Å
163P80.4Confident82.7Confident50 Ų5059.8 Ų59.833%0.32533%0.327SS..  trans-55.3142.4173.5-24.634.1000112.1E165 M166 Q167P163-E165 PolarHBondContact O-N 3.37Å; P163-M166 HydrophobicContact CB-SD 4.45Å; P163-M166 HydrophobicContact CG-SD 4.23Å; P163-M166 PolarHBondContact O-N 2.81Å; P163-Q167 PolarHBondContact O-N 2.66Å
164Q77.8Confident82.9Confident172 Ų17262 Ų6280%0.80434%0.337SS*.G310 helixtrans-56-36.7-177.5-76.2-171.6-15.600113M166 Q167Q164-M166 PolarHBondContact O-N 3.2Å; Q164-Q167 WeakPolarHBondContact O-CB 3.21Å; Q164-Q167 PolarHBondContact O-N 3Å
165E75.3Confident83.2Confident166 Ų16670.5 Ų70.578%0.77637%0.369SS*.G310 helixtrans-61.7-23.1177.5-62.5175.6-176.900113.2P163P163-E165 PolarHBondContact O-N 3.37Å
166M76Confident83.5Confident3 Ų370.4 Ų70.42%0.01537%0.369CS..G310 helixtrans-109.7-1.7-175.8-68.6166.9-163.600113.7F144 P145 Q148 V152 F156 V162 P163 Q164 G168 F169F144-M166 HydrophobicContact CE2-CG 4.34Å; F144-M166 HydrophobicContact CE2-SD 4.33Å; F144-M166 HydrophobicContact CZ-SD 4.25Å; P145-M166 HydrophobicContact CG-CE 3.53Å; Q148-M166 HydrophobicContact CG-CE 4.26Å; V152-M166 HydrophobicContact CG1-SD 3.5Å; V152-M166 VanDerWaalsContact CG1-SD 3.5Å; F156-M166 HydrophobicContact CZ-CB 4.26Å; V162-M166 HydrophobicContact CG1-CB 3.96Å; P163-M166 HydrophobicContact CB-SD 4.45Å; P163-M166 HydrophobicContact CG-SD 4.23Å; P163-M166 PolarHBondContact O-N 2.81Å; Q164-M166 PolarHBondContact O-N 3.2Å; M166-G168 PolarHBondContact O-N 3.01Å; M166-G168 VanDerWaalsContact O-N 3.17Å; M166-F169 PolarHBondContact O-N 3.47Å
167Q80.3Confident83.8Confident91 Ų9170.2 Ų70.243%0.42537%0.369SS..Hα-helixtrans-62.9-25.3-177.6-161.3165.630.600112.2P163 Q164 F169 W170P163-Q167 PolarHBondContact O-N 2.66Å; Q164-Q167 WeakPolarHBondContact O-CB 3.21Å; Q164-Q167 PolarHBondContact O-N 3Å; Q167-F169 VanDerWaalsContact C-N 3.34Å; Q167-F169 PolarHBondContact O-N 3.34Å; Q167-W170 WeakPolarHBondContact O-CB 3.49Å; Q167-W170 PolarHBondContact O-N 3.47Å
168G80.9Confident84.1Confident69 Ų6971.8 Ų71.871%0.71137%0.372SS*.Hα-helixtrans-63.5-33.6173.800000114.1M166 W170M166-G168 PolarHBondContact O-N 3.01Å; M166-G168 VanDerWaalsContact O-N 3.17Å; G168-W170 VanDerWaalsContact C-N 3.35Å
169F84.7Confident84.5Confident34 Ų3476.8 Ų76.815%0.14939%0.388CS..Hα-helixtrans-80.6-17.4-179.9-61.7-75000113.2L141 E142 F144 F156 M166 Q167 A171 E172 I173L141-F169 HydrophobicContact CB-CD1 4.41Å; E142-F169 WeakPolarHBondContact O-CE1 3.37Å; F144-F169 AromaticContact CD2-CD2 4Å; F144-F169 HydrophobicContact CD2-CD2 4Å; F144-F169 HydrophobicContact CD2-CE2 4.2Å; F144-F169 HydrophobicContact CD2-CG 4.18Å; F144-F169 HydrophobicContact CE2-CD2 4.45Å; F156-F169 HydrophobicContact CE1-CB 4.25Å; M166-F169 PolarHBondContact O-N 3.47Å; Q167-F169 VanDerWaalsContact C-N 3.34Å; Q167-F169 PolarHBondContact O-N 3.34Å; F169-A171 VanDerWaalsContact C-N 3.35Å; F169-A171 PolarHBondContact O-N 3.15Å; F169-E172 PolarHBondContact O-N 3.01Å; F169-E172 VanDerWaalsContact O-N 3.13Å; F169-I173 HydrophobicContact CB-CD1 4.17Å; F169-I173 WeakPolarHBondContact O-CG1 3.45Å; F169-I173 PolarHBondContact O-N 3.23Å
170W85.1Confident85.3Confident50 Ų5073.7 Ų73.719%0.18938%0.375CS..Hα-helixtrans-56.1-47.7-175.9177.883.2000112.5F156 K159 Q167 G168 E172 I173 E174F156-W170 HydrophobicContact CD1-CB 4.31Å; F156-W170 PolarHBondContact O-NE1 3.07Å; K159-W170 HydrophobicContact CB-CZ2 4.13Å; K159-W170 HydrophobicContact CD-CH2 4.16Å; K159-W170 HydrophobicContact CD-CZ2 4.17Å; K159-W170 HydrophobicContact CD-CZ3 4.41Å; K159-W170 HydrophobicContact CG-CD2 4.48Å; K159-W170 HydrophobicContact CG-CZ2 4.38Å; Q167-W170 WeakPolarHBondContact O-CB 3.49Å; Q167-W170 PolarHBondContact O-N 3.47Å; G168-W170 VanDerWaalsContact C-N 3.35Å; W170-E172 VanDerWaalsContact C-N 3.28Å; W170-E172 PolarHBondContact O-N 2.84Å; W170-I173 PolarHBondContact O-N 3.43Å; W170-E174 WeakPolarHBondContact CH2-OE2 3.27Å; W170-E174 VanDerWaalsContact CZ2-OE2 3.26Å; W170-E174 WeakPolarHBondContact CZ2-OE2 3.37Å; W170-E174 VanDerWaalsContact CZ3-OE2 3.24Å; W170-E174 WeakPolarHBondContact CZ3-OE2 3.2Å; W170-E174 VanDerWaalsContact O-CB 3.25Å; W170-E174 WeakPolarHBondContact O-CB 3.46Å; W170-E174 PolarHBondContact O-N 2.94Å
171A86.5Confident86.2Confident55 Ų5568.1 Ų68.146%0.45534%0.336SS..Hα-helixtrans-64.9-33.3-17900000112.3F169 R175F169-A171 VanDerWaalsContact C-N 3.35Å; F169-A171 PolarHBondContact O-N 3.15Å; A171-R175 WeakPolarHBondContact O-CB 3.29Å; A171-R175 PolarHBondContact O-N 3.35Å; A171-R175 VanDerWaalsContact O-N 3.1Å
172E88.8Confident87.1Confident90 Ų9069.1 Ų69.142%0.42134%0.336SS..Hα-helixtrans-71.5-49.1178-178.1169.5-163.900111.8L141 F169 W170 R175 R176L141-E172 HydrophobicContact CD2-CG 4.26Å; F169-E172 PolarHBondContact O-N 3.01Å; F169-E172 VanDerWaalsContact O-N 3.13Å; W170-E172 VanDerWaalsContact C-N 3.28Å; W170-E172 PolarHBondContact O-N 2.84Å; E172-R175 PolarHBondContact O-N 2.99Å; E172-R176 WeakPolarHBondContact O-CB 3.1Å; E172-R176 PolarHBondContact O-N 3.37Å
173I88.6Confident88Confident4 Ų472 Ų722%0.02135%0.351CS..Hα-helixtrans-63.5-47.4178.9-66.8163.2000110.7V136 L141 M153 F156 F169 W170 R175 R176 L177V136-I173 HydrophobicContact CG2-CG2 4.32Å; L141-I173 HydrophobicContact CD1-CD1 3.67Å; L141-I173 HydrophobicContact CD1-CG1 3.83Å; L141-I173 HydrophobicContact CD2-CG1 4.08Å; M153-I173 HydrophobicContact SD-CD1 4.33Å; F156-I173 HydrophobicContact CD1-CD1 3.54Å; F156-I173 HydrophobicContact CD2-CD1 4.34Å; F156-I173 HydrophobicContact CE1-CD1 3.39Å; F156-I173 HydrophobicContact CE2-CD1 4.18Å; F156-I173 HydrophobicContact CG-CD1 4.03Å; F156-I173 HydrophobicContact CZ-CD1 3.71Å; F169-I173 HydrophobicContact CB-CD1 4.17Å; F169-I173 WeakPolarHBondContact O-CG1 3.45Å; F169-I173 PolarHBondContact O-N 3.23Å; W170-I173 PolarHBondContact O-N 3.43Å; I173-R175 VanDerWaalsContact C-N 3.34Å; I173-R175 PolarHBondContact O-N 3.01Å; I173-R176 PolarHBondContact O-N 3.45Å; I173-L177 HydrophobicContact CG2-CD1 3.91Å; I173-L177 HydrophobicContact CG2-CG 4.48Å; I173-L177 WeakPolarHBondContact O-CG 3.39Å; I173-L177 PolarHBondContact O-N 3.45Å
174E89.6Confident88.7Confident46 Ų4673.3 Ų73.322%0.21536%0.355CS..Hα-helixtrans-59.8-46.5178.4-170.7-163.4-175.200110.6W170 R176 L177 K178W170-E174 WeakPolarHBondContact CH2-OE2 3.27Å; W170-E174 VanDerWaalsContact CZ2-OE2 3.26Å; W170-E174 WeakPolarHBondContact CZ2-OE2 3.37Å; W170-E174 VanDerWaalsContact CZ3-OE2 3.24Å; W170-E174 WeakPolarHBondContact CZ3-OE2 3.2Å; W170-E174 VanDerWaalsContact O-CB 3.25Å; W170-E174 WeakPolarHBondContact O-CB 3.46Å; W170-E174 PolarHBondContact O-N 2.94Å; E174-R176 PolarHBondContact O-N 3.36Å; E174-L177 PolarHBondContact O-N 2.88Å; E174-K178 HydrophobicContact CG-CD 4.13Å; E174-K178 HydrophobicContact CG-CG 4.46Å; E174-K178 VanDerWaalsContact O-CB 3.28Å; E174-K178 WeakPolarHBondContact O-CB 3.33Å; E174-K178 WeakPolarHBondContact O-CG 3.17Å; E174-K178 PolarHBondContact O-N 2.85Å; E174-K178 WeakPolarHBondContact OE1-CE 3.5Å; E174-K178 IonicContact OE1-NZ 3.65Å; E174-K178 PolarHBondContact OE1-NZ 2.91Å
175R91.8Very high89.6Confident179 Ų17965.1 Ų65.168%0.67532%0.316SS*.Hα-helixtrans-61.6-43.7178.2-176.6178.2671660.2111.6A171 E172 I173 Y179A171-R175 WeakPolarHBondContact O-CB 3.29Å; A171-R175 PolarHBondContact O-N 3.35Å; A171-R175 VanDerWaalsContact O-N 3.1Å; E172-R175 PolarHBondContact O-N 2.99Å; I173-R175 VanDerWaalsContact C-N 3.34Å; I173-R175 PolarHBondContact O-N 3.01Å; R175-Y179 WeakPolarHBondContact O-CB 3.31Å; R175-Y179 PolarHBondContact O-N 3.24Å
176R93Very high90.6Very high91 Ų9164.8 Ų64.834%0.34331%0.308SS..Hα-helixtrans-59.6-53.6177.7178.4179.7174.6178.80.8111.2T140 E172 I173 E174 K178 Y179 E180T140-R176 PolarHBondContact OG1-NH1 3.32Å; E172-R176 WeakPolarHBondContact O-CB 3.1Å; E172-R176 PolarHBondContact O-N 3.37Å; I173-R176 PolarHBondContact O-N 3.45Å; E174-R176 PolarHBondContact O-N 3.36Å; R176-K178 PolarHBondContact O-N 3.38Å; R176-Y179 WeakPolarHBondContact O-CB 3.24Å; R176-Y179 WeakPolarHBondContact O-CD1 3.37Å; R176-Y179 PolarHBondContact O-N 2.76Å; R176-E180 IonicContact NE-OE1 3.2Å; R176-E180 PolarHBondContact NE-OE1 2.9Å; R176-E180 WeakPolarHBondContact O-CG 3.35Å; R176-E180 PolarHBondContact O-N 3.09Å
177L93.6Very high91.6Very high3 Ų369.7 Ų69.72%0.01633%0.334CS..Hα-helixtrans-66.4-37.3-178.3-69.8174.2000112.4Y128 V129 L132 V136 I173 E174 E180 S181Y128-L177 WeakPolarHBondContact CD1-O 3.37Å; Y128-L177 HydrophobicContact CE1-CD2 4.4Å; V129-L177 HydrophobicContact CB-CB 4.39Å; V129-L177 HydrophobicContact CG1-CD1 4.25Å; V129-L177 HydrophobicContact CG2-CB 3.75Å; L132-L177 HydrophobicContact CB-CD2 4.02Å; V136-L177 HydrophobicContact CG2-CD1 3.91Å; V136-L177 HydrophobicContact CG2-CD2 3.86Å; V136-L177 HydrophobicContact CG2-CG 4.11Å; I173-L177 HydrophobicContact CG2-CD1 3.91Å; I173-L177 HydrophobicContact CG2-CG 4.48Å; I173-L177 WeakPolarHBondContact O-CG 3.39Å; I173-L177 PolarHBondContact O-N 3.45Å; E174-L177 PolarHBondContact O-N 2.88Å; L177-E180 PolarHBondContact O-N 3.48Å; L177-S181 WeakPolarHBondContact O-CB 3.43Å; L177-S181 PolarHBondContact O-N 2.87Å
178K94Very high92.3Very high66 Ų6668.3 Ų68.329%0.28733%0.328SS..Hα-helixtrans-63.5-42.6173.1-81.2-174.8168167.40111.9V129 E174 R176 S181 Q182V129-K178 HydrophobicContact CG2-CG 3.68Å; E174-K178 HydrophobicContact CG-CD 4.13Å; E174-K178 HydrophobicContact CG-CG 4.46Å; E174-K178 VanDerWaalsContact O-CB 3.28Å; E174-K178 WeakPolarHBondContact O-CB 3.33Å; E174-K178 WeakPolarHBondContact O-CG 3.17Å; E174-K178 PolarHBondContact O-N 2.85Å; E174-K178 WeakPolarHBondContact OE1-CE 3.5Å; E174-K178 IonicContact OE1-NZ 3.65Å; E174-K178 PolarHBondContact OE1-NZ 2.91Å; R176-K178 PolarHBondContact O-N 3.38Å; K178-S181 PolarHBondContact O-N 3.3Å; K178-Q182 WeakPolarHBondContact O-CB 3.24Å; K178-Q182 VanDerWaalsContact O-CG 3.3Å; K178-Q182 WeakPolarHBondContact O-CG 3.43Å; K178-Q182 PolarHBondContact O-N 3.34Å
179Y95.6Very high92.9Very high134 Ų13467.6 Ų67.653%0.52531%0.31SS..Hα-helixtrans-58.7-49.2174.6143.4-103.2000111.3R175 R176 S181 Q182 L183R175-Y179 WeakPolarHBondContact O-CB 3.31Å; R175-Y179 PolarHBondContact O-N 3.24Å; R176-Y179 WeakPolarHBondContact O-CB 3.24Å; R176-Y179 WeakPolarHBondContact O-CD1 3.37Å; R176-Y179 PolarHBondContact O-N 2.76Å; Y179-S181 VanDerWaalsContact C-N 3.34Å; Y179-S181 PolarHBondContact O-N 3.49Å; Y179-Q182 PolarHBondContact O-N 3.39Å; Y179-L183 HydrophobicContact CE2-CB 4.23Å; Y179-L183 HydrophobicContact CE2-CD2 3.88Å; Y179-L183 VanDerWaalsContact O-CB 3.28Å; Y179-L183 WeakPolarHBondContact O-CB 3.49Å; Y179-L183 PolarHBondContact O-N 3.4Å
180E96Very high93.5Very high52 Ų5268.6 Ų68.624%0.24333%0.325CS..Hα-helixtrans-60.4-45179.5-72177.2-167.900111.1Y128 R176 L177 L183 L184Y128-E180 HydrophobicContact CE1-CB 3.88Å; R176-E180 IonicContact NE-OE1 3.2Å; R176-E180 PolarHBondContact NE-OE1 2.9Å; R176-E180 WeakPolarHBondContact O-CG 3.35Å; R176-E180 PolarHBondContact O-N 3.09Å; L177-E180 PolarHBondContact O-N 3.48Å; E180-L183 PolarHBondContact O-N 2.9Å; E180-L184 WeakPolarHBondContact O-CG 3.26Å; E180-L184 PolarHBondContact O-N 3.42Å
181S95.9Very high94Very high0 Ų067.9 Ų67.90%033%0.333CS..Hα-helixtrans-59.6-48.6176.2-169.30000112.5L122 G125 Y128 L177 K178 Y179 L184 G185L122-S181 WeakPolarHBondContact CA-OG 3.45Å; L122-S181 CarbonylContact O-C 3.51Å; L122-S181 WeakPolarHBondContact O-CB 3.48Å; L122-S181 PolarHBondContact O-OG 3.33Å; G125-S181 WeakPolarHBondContact CA-OG 3.43Å; Y128-S181 WeakPolarHBondContact CB-OG 3.39Å; L177-S181 WeakPolarHBondContact O-CB 3.43Å; L177-S181 PolarHBondContact O-N 2.87Å; K178-S181 PolarHBondContact O-N 3.3Å; Y179-S181 VanDerWaalsContact C-N 3.34Å; Y179-S181 PolarHBondContact O-N 3.49Å; S181-L184 PolarHBondContact O-N 3.25Å; S181-G185 PolarHBondContact O-N 2.79Å
182Q95.6Very high94.2Very high84 Ų8468.4 Ų68.439%0.39333%0.326SS..Hα-helixtrans-67.5-38.6-179.1-74.1179.20.500111.8L123 K178 Y179 G185 W186L123-Q182 WeakPolarHBondContact O-CG 3.19Å; L123-Q182 PolarHBondContact O-NE2 3.08Å; K178-Q182 WeakPolarHBondContact O-CB 3.24Å; K178-Q182 VanDerWaalsContact O-CG 3.3Å; K178-Q182 WeakPolarHBondContact O-CG 3.43Å; K178-Q182 PolarHBondContact O-N 3.34Å; Y179-Q182 PolarHBondContact O-N 3.39Å; Q182-G185 PolarHBondContact O-N 2.93Å; Q182-W186 PolarHBondContact O-N 3.49Å
183L97.8Very high94.3Very high74 Ų7466.9 Ų66.939%0.38733%0.329SS..Hα-helixtrans-60.8-47.9174.3178.963.2000110.7Y179 E180 G185 W186 L187Y179-L183 HydrophobicContact CE2-CB 4.23Å; Y179-L183 HydrophobicContact CE2-CD2 3.88Å; Y179-L183 VanDerWaalsContact O-CB 3.28Å; Y179-L183 WeakPolarHBondContact O-CB 3.49Å; Y179-L183 PolarHBondContact O-N 3.4Å; E180-L183 PolarHBondContact O-N 2.9Å; L183-G185 VanDerWaalsContact C-N 3.31Å; L183-G185 PolarHBondContact O-N 3.37Å; L183-W186 PolarHBondContact O-N 3.49Å; L183-L187 HydrophobicContact CD1-CD1 4.33Å; L183-L187 HydrophobicContact CD1-CG 4.3Å; L183-L187 HydrophobicContact CG-CD1 4.08Å; L183-L187 HydrophobicContact CG-CG 4.47Å; L183-L187 WeakPolarHBondContact O-CB 3.06Å; L183-L187 VanDerWaalsContact O-CG 3.27Å; L183-L187 WeakPolarHBondContact O-CG 3.25Å; L183-L187 PolarHBondContact O-N 3.42Å
184L97Very high94.7Very high76 Ų7670.7 Ų70.740%0.39835%0.353SS..Hα-helixtrans-59.7-41.9174.5-72.7172.5000111.9Y128 E180 S181 L187 M188Y128-L184 HydrophobicContact CD2-CD1 4.5Å; Y128-L184 HydrophobicContact CE2-CD1 3.51Å; E180-L184 WeakPolarHBondContact O-CG 3.26Å; E180-L184 PolarHBondContact O-N 3.42Å; S181-L184 PolarHBondContact O-N 3.25Å; L184-L187 PolarHBondContact O-N 3.11Å; L184-M188 WeakPolarHBondContact O-CB 3.02Å; L184-M188 PolarHBondContact O-N 3.41Å
185G94.7Very high94.7Very high0 Ų071.8 Ų71.80%036%0.362CS..Hα-helixtrans-57.8-48.1174.500000112.5S181 Q182 L183 M188 V189S181-G185 PolarHBondContact O-N 2.79Å; Q182-G185 PolarHBondContact O-N 2.93Å; L183-G185 VanDerWaalsContact C-N 3.31Å; L183-G185 PolarHBondContact O-N 3.37Å; G185-M188 WeakPolarHBondContact O-CB 3.2Å; G185-M188 PolarHBondContact O-N 3.33Å; G185-V189 WeakPolarHBondContact O-CG2 3.35Å; G185-V189 PolarHBondContact O-N 2.9Å
186W97.4Very high94.5Very high160 Ų16068 Ų6861%0.60636%0.355SS*.Hα-helixtrans-67.4-39.8177.8-77.7118.6000113.3L123 Q182 L183 M188 V189 A190L123-W186 HydrophobicContact CD2-CD2 4.27Å; L123-W186 HydrophobicContact CD2-CG 4.23Å; Q182-W186 PolarHBondContact O-N 3.49Å; L183-W186 PolarHBondContact O-N 3.49Å; W186-M188 VanDerWaalsContact C-N 3.3Å; W186-M188 PolarHBondContact O-N 2.97Å; W186-V189 HydrophobicContact CE3-CB 4.46Å; W186-V189 PolarHBondContact O-N 2.86Å; W186-A190 WeakPolarHBondContact O-CB 3.26Å; W186-A190 PolarHBondContact O-N 2.82Å
187L97.8Very high94.3Very high106 Ų10670.1 Ų70.156%0.55537%0.367SS*.Hα-helixtrans-62.2-39.5173.9-71.8174.6000111.3L183 L184 A190 G191L183-L187 HydrophobicContact CD1-CD1 4.33Å; L183-L187 HydrophobicContact CD1-CG 4.3Å; L183-L187 HydrophobicContact CG-CD1 4.08Å; L183-L187 HydrophobicContact CG-CG 4.47Å; L183-L187 WeakPolarHBondContact O-CB 3.06Å; L183-L187 VanDerWaalsContact O-CG 3.27Å; L183-L187 WeakPolarHBondContact O-CG 3.25Å; L183-L187 PolarHBondContact O-N 3.42Å; L184-L187 PolarHBondContact O-N 3.11Å; L187-A190 PolarHBondContact O-N 3.45Å; L187-G191 PolarHBondContact O-N 2.98Å
188M94.8Very high94.2Very high62 Ų6274.6 Ų74.631%0.30539%0.39SS..Hα-helixtrans-63.3-44174.6-169.1-179.2-172.400111.4V115 A118 V119 L122 L184 G185 W186 G191 M192V115-M188 HydrophobicContact CB-CE 4.48Å; V115-M188 HydrophobicContact CG1-CE 4.07Å; V115-M188 HydrophobicContact CG2-CE 4.33Å; A118-M188 HydrophobicContact CB-CE 4.12Å; A118-M188 HydrophobicContact CB-SD 4.31Å; V119-M188 HydrophobicContact CG2-CB 4.35Å; V119-M188 HydrophobicContact CG2-CG 4.06Å; V119-M188 HydrophobicContact CG2-SD 3.74Å; L122-M188 HydrophobicContact CD1-SD 4.2Å; L184-M188 WeakPolarHBondContact O-CB 3.02Å; L184-M188 PolarHBondContact O-N 3.41Å; G185-M188 WeakPolarHBondContact O-CB 3.2Å; G185-M188 PolarHBondContact O-N 3.33Å; W186-M188 VanDerWaalsContact C-N 3.3Å; W186-M188 PolarHBondContact O-N 2.97Å; M188-G191 PolarHBondContact O-N 3.47Å; M188-M192 WeakPolarHBondContact O-CB 3.14Å; M188-M192 VanDerWaalsContact O-CG 3.22Å; M188-M192 WeakPolarHBondContact O-CG 3.43Å; M188-M192 PolarHBondContact O-N 3.33Å
189V93.2Very high93.8Very high54 Ų5476.4 Ų76.433%0.32740%0.403SS..Hα-helixtrans-60.1-49.8175.3171.50000111.4V119 G185 W186 G191 M192 A193V119-V189 HydrophobicContact CB-CG2 4.38Å; V119-V189 HydrophobicContact CG1-CG2 3.44Å; V119-V189 VanDerWaalsContact CG1-CG2 3.44Å; V119-V189 HydrophobicContact CG2-CG2 3.96Å; G185-V189 WeakPolarHBondContact O-CG2 3.35Å; G185-V189 PolarHBondContact O-N 2.9Å; W186-V189 HydrophobicContact CE3-CB 4.46Å; W186-V189 PolarHBondContact O-N 2.86Å; V189-G191 PolarHBondContact O-N 2.82Å; V189-M192 PolarHBondContact O-N 3.47Å; V189-A193 PolarHBondContact O-N 3.24Å
190A96.5Very high93.2Very high55 Ų5574.9 Ų74.946%0.45540%0.403SS..Hα-helixtrans-61.4-45.8179.100000111.6W186 L187 M192 A193 V194W186-A190 WeakPolarHBondContact O-CB 3.26Å; W186-A190 PolarHBondContact O-N 2.82Å; L187-A190 PolarHBondContact O-N 3.45Å; A190-M192 PolarHBondContact O-N 3.31Å; A190-A193 PolarHBondContact O-N 2.99Å; A190-V194 WeakPolarHBondContact O-CG2 3.47Å; A190-V194 PolarHBondContact O-N 3.47Å
191G96.4Very high92.6Very high35 Ų3574.7 Ų74.736%0.36141%0.407SS..Hα-helixtrans-59.4-45.6176.600000112.4L187 M188 V189 A193 V194 V195L187-G191 PolarHBondContact O-N 2.98Å; M188-G191 PolarHBondContact O-N 3.47Å; V189-G191 PolarHBondContact O-N 2.82Å; G191-A193 PolarHBondContact O-N 3.19Å; G191-V194 PolarHBondContact O-N 3.47Å; G191-V195 VanDerWaalsContact O-CG2 3.31Å; G191-V195 WeakPolarHBondContact O-CG2 3.27Å; G191-V195 PolarHBondContact O-N 2.85Å
192M91Very high92.1Very high65 Ų6580.1 Ų80.132%0.3243%0.433SS..Hα-helixtrans-64-39.7177.1-72.4-58.5-56.800112.5V115 M188 V189 A190 V194 V195 L196V115-M192 HydrophobicContact CG1-CE 4.2Å; V115-M192 HydrophobicContact CG1-CG 3.9Å; V115-M192 HydrophobicContact CG1-SD 4.28Å; V115-M192 HydrophobicContact CG2-CE 4.4Å; M188-M192 WeakPolarHBondContact O-CB 3.14Å; M188-M192 VanDerWaalsContact O-CG 3.22Å; M188-M192 WeakPolarHBondContact O-CG 3.43Å; M188-M192 PolarHBondContact O-N 3.33Å; V189-M192 PolarHBondContact O-N 3.47Å; A190-M192 PolarHBondContact O-N 3.31Å; M192-V194 VanDerWaalsContact C-N 3.35Å; M192-V194 PolarHBondContact O-N 2.92Å; M192-V195 PolarHBondContact O-N 3.39Å; M192-L196 WeakPolarHBondContact O-CB 3.29Å; M192-L196 VanDerWaalsContact O-CG 3.27Å; M192-L196 WeakPolarHBondContact O-CG 3.1Å; M192-L196 PolarHBondContact O-N 3.39Å
193A90.8Very high91.2Very high58 Ų5881.6 Ų81.648%0.47944%0.439SS..Hα-helixtrans-61.3-43.9175.700000111.6V189 A190 G191 L196 F197V189-A193 PolarHBondContact O-N 3.24Å; A190-A193 PolarHBondContact O-N 2.99Å; G191-A193 PolarHBondContact O-N 3.19Å; A193-L196 PolarHBondContact O-N 3.29Å; A193-F197 WeakPolarHBondContact O-CB 3.26Å; A193-F197 PolarHBondContact O-N 3.38Å
194V95.3Very high90.1Very high85 Ų8586.6 Ų86.652%0.51545%0.452SS..Hα-helixtrans-64-46.2175.6173.70000111.1A190 G191 M192 L196 F197 L198A190-V194 WeakPolarHBondContact O-CG2 3.47Å; A190-V194 PolarHBondContact O-N 3.47Å; G191-V194 PolarHBondContact O-N 3.47Å; M192-V194 VanDerWaalsContact C-N 3.35Å; M192-V194 PolarHBondContact O-N 2.92Å; V194-L196 PolarHBondContact O-N 2.81Å; V194-F197 PolarHBondContact O-N 2.94Å; V194-L198 HydrophobicContact CG1-CD1 3.93Å; V194-L198 HydrophobicContact CG1-CG 4.31Å; V194-L198 WeakPolarHBondContact O-CB 3.33Å; V194-L198 VanDerWaalsContact O-CG 3.31Å; V194-L198 WeakPolarHBondContact O-CG 3.37Å; V194-L198 PolarHBondContact O-N 3.25Å
195V91Very high89.2Confident69 Ų6988.1 Ų88.142%0.41847%0.468SS..Hα-helixtrans-59.5-46.7177.5168.80000111G191 M192 F197 L198 L199G191-V195 VanDerWaalsContact O-CG2 3.31Å; G191-V195 WeakPolarHBondContact O-CG2 3.27Å; G191-V195 PolarHBondContact O-N 2.85Å; M192-V195 PolarHBondContact O-N 3.39Å; V195-F197 PolarHBondContact O-N 3.46Å; V195-L198 PolarHBondContact O-N 2.89Å; V195-L199 HydrophobicContact CG1-CD1 3.8Å; V195-L199 HydrophobicContact CG1-CG 4.24Å; V195-L199 WeakPolarHBondContact O-CB 3.33Å; V195-L199 VanDerWaalsContact O-CG 3.24Å; V195-L199 WeakPolarHBondContact O-CG 3.21Å; V195-L199 PolarHBondContact O-N 3.27Å
196L87.6Confident88.4Confident100 Ų10092.3 Ų92.352%0.52450%0.497SS..Hα-helixtrans-61.6-43.6177.4-73.2173.2000111.7M192 A193 V194 L199 L200M192-L196 WeakPolarHBondContact O-CB 3.29Å; M192-L196 VanDerWaalsContact O-CG 3.27Å; M192-L196 WeakPolarHBondContact O-CG 3.1Å; M192-L196 PolarHBondContact O-N 3.39Å; A193-L196 PolarHBondContact O-N 3.29Å; V194-L196 PolarHBondContact O-N 2.81Å; L196-L199 PolarHBondContact O-N 3.47Å; L196-L200 WeakPolarHBondContact O-CB 3.43Å; L196-L200 VanDerWaalsContact O-CG 3.24Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 3.39Å
197F89.1Confident87.1Confident135 Ų13586.2 Ų86.259%0.59248%0.478SS*.Hα-helixtrans-59.3-49.7175.7176.6-100.8000111.5A193 V194 V195 L199 L200 C201A193-F197 WeakPolarHBondContact O-CB 3.26Å; A193-F197 PolarHBondContact O-N 3.38Å; V194-F197 PolarHBondContact O-N 2.94Å; V195-F197 PolarHBondContact O-N 3.46Å; F197-L199 PolarHBondContact O-N 2.96Å; F197-L200 PolarHBondContact O-N 3.12Å; F197-C201 PolarHBondContact O-N 3.22Å; F197-C201 PolarHBondContact O-SG 3.11Å; F197-C201 VanDerWaalsContact O-SG 3.36Å
198L91.8Very high85.9Confident96 Ų9686.7 Ų86.750%0.50349%0.487SS..Hα-helixtrans-61.7-42.7178-69.2174.9000112V194 V195 L200 C201 M202V194-L198 HydrophobicContact CG1-CD1 3.93Å; V194-L198 HydrophobicContact CG1-CG 4.31Å; V194-L198 WeakPolarHBondContact O-CB 3.33Å; V194-L198 VanDerWaalsContact O-CG 3.31Å; V194-L198 WeakPolarHBondContact O-CG 3.37Å; V194-L198 PolarHBondContact O-N 3.25Å; V195-L198 PolarHBondContact O-N 2.89Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L198-L200 PolarHBondContact O-N 3.46Å; L198-C201 PolarHBondContact O-N 2.87Å; L198-M202 WeakPolarHBondContact O-CB 3.19Å; L198-M202 VanDerWaalsContact O-CG 3.26Å; L198-M202 WeakPolarHBondContact O-CG 3.13Å; L198-M202 PolarHBondContact O-N 3.31Å
199L84.3Confident85Confident105 Ų10584.4 Ų84.455%0.5548%0.477SS..Hα-helixtrans-63.2-39.3176.7-73.2174.4000112V195 L196 F197 K203V195-L199 HydrophobicContact CG1-CD1 3.8Å; V195-L199 HydrophobicContact CG1-CG 4.24Å; V195-L199 WeakPolarHBondContact O-CB 3.33Å; V195-L199 VanDerWaalsContact O-CG 3.24Å; V195-L199 WeakPolarHBondContact O-CG 3.21Å; V195-L199 PolarHBondContact O-N 3.27Å; L196-L199 PolarHBondContact O-N 3.47Å; F197-L199 PolarHBondContact O-N 2.96Å; L199-K203 WeakPolarHBondContact O-CB 3.35Å; L199-K203 PolarHBondContact O-N 3.17Å
200L82.7Confident84.5Confident101 Ų10184 Ų8453%0.52948%0.484SS..Hα-helixtrans-66.8-42.8175.4-72.4171.4000111.6L196 F197 L198 K203 R204L196-L200 WeakPolarHBondContact O-CB 3.43Å; L196-L200 VanDerWaalsContact O-CG 3.24Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 3.39Å; F197-L200 PolarHBondContact O-N 3.12Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L198-L200 PolarHBondContact O-N 3.46Å; L200-K203 PolarHBondContact O-N 3.35Å; L200-R204 WeakPolarHBondContact O-CB 3.31Å; L200-R204 WeakPolarHBondContact O-CG 3.28Å; L200-R204 PolarHBondContact O-N 2.96Å
201C84.7Confident83.7Confident48 Ų4889.5 Ų89.532%0.32449%0.494SS..Hα-helixtrans-59.9-49.9173.4-71.70000111.1F197 L198 K203 R204 C205F197-C201 PolarHBondContact O-N 3.22Å; F197-C201 PolarHBondContact O-SG 3.11Å; F197-C201 VanDerWaalsContact O-SG 3.36Å; L198-C201 PolarHBondContact O-N 2.87Å; C201-K203 PolarHBondContact O-N 3.07Å; C201-R204 PolarHBondContact O-N 3.41Å; C201-C205 WeakPolarHBondContact O-CB 3.35Å; C201-C205 PolarHBondContact O-N 3.35Å; C201-C205 PolarHBondContact O-SG 3.48Å
202M84Confident83.2Confident114 Ų11495.8 Ų95.856%0.56251%0.514SS*.Hα-helixtrans-61.1-44.7178-73.1-59.5-63.800111.9L198 R204 C205 C206L198-M202 WeakPolarHBondContact O-CB 3.19Å; L198-M202 VanDerWaalsContact O-CG 3.26Å; L198-M202 WeakPolarHBondContact O-CG 3.13Å; L198-M202 PolarHBondContact O-N 3.31Å; M202-R204 VanDerWaalsContact C-N 3.3Å; M202-R204 PolarHBondContact O-N 2.75Å; M202-C205 PolarHBondContact O-N 2.04Å; M202-C206 WeakPolarHBondContact O-CB 3.27Å; M202-C206 PolarHBondContact O-N 3.18Å; M202-C206 PolarHBondContact O-SG 2.9Å; M202-C206 VanDerWaalsContact O-SG 3.36Å
203K77Confident83Confident115 Ų11595.4 Ų95.450%0.551%0.511SS..Hα-helixtrans-58.4-42.5175.7177-179.9159.167.40111.4L199 L200 C201 S207 E214L199-K203 WeakPolarHBondContact O-CB 3.35Å; L199-K203 PolarHBondContact O-N 3.17Å; L200-K203 PolarHBondContact O-N 3.35Å; C201-K203 PolarHBondContact O-N 3.07Å; K203-S207 VanDerWaalsContact O-CB 3.25Å; K203-S207 WeakPolarHBondContact O-CB 3.22Å; K203-S207 PolarHBondContact O-N 3.1Å; K203-S207 VanDerWaalsContact O-N 3.07Å; K203-E214 WeakPolarHBondContact CE-OE1 3.38Å; K203-E214 IonicContact NZ-OE1 2.67Å; K203-E214 PolarHBondContact NZ-OE1 3.33Å
204R75.4Confident82.6Confident180 Ų18095 Ų9568%0.67950%0.5SS*.Hα-helixtrans-71-41.4178.7-73.5-177.6178.7-169.21.1112.6L200 C201 M202L200-R204 WeakPolarHBondContact O-CB 3.31Å; L200-R204 WeakPolarHBondContact O-CG 3.28Å; L200-R204 PolarHBondContact O-N 2.96Å; C201-R204 PolarHBondContact O-N 3.41Å; M202-R204 VanDerWaalsContact C-N 3.3Å; M202-R204 PolarHBondContact O-N 2.75Å
205C78.7Confident82.1Confident108 Ų10893.4 Ų93.473%0.7350%0.495SS*.Hα-helixtrans-72.6-32.5179.9-66.50000113.1C201 M202C201-C205 WeakPolarHBondContact O-CB 3.35Å; C201-C205 PolarHBondContact O-N 3.35Å; C201-C205 PolarHBondContact O-SG 3.48Å; M202-C205 PolarHBondContact O-N 2.04Å
206C76.1Confident82Confident88 Ų8896.2 Ų96.260%0.59550%0.499SS*.SBendtrans-97.1-0.9-178.8-590000113.4M202 P208M202-C206 WeakPolarHBondContact O-CB 3.27Å; M202-C206 PolarHBondContact O-N 3.18Å; M202-C206 PolarHBondContact O-SG 2.9Å; M202-C206 VanDerWaalsContact O-SG 3.36Å; C206-P208 WeakPolarHBondContact O-CD 3.37Å
207S72.1Confident82.1Confident31 Ų3194 Ų9422%0.21748%0.483CS..  trans-70.1124.2175178.30000109.1K203 L209K203-S207 VanDerWaalsContact O-CB 3.25Å; K203-S207 WeakPolarHBondContact O-CB 3.22Å; K203-S207 PolarHBondContact O-N 3.1Å; K203-S207 VanDerWaalsContact O-N 3.07Å; S207-L209 PolarHBondContact O-N 3.04Å; S207-L209 PolarHBondContact OG-N 3.31Å; S207-L209 VanDerWaalsContact OG-N 3.15Å; S207-L209 PolarHBondContact OG-O 2.95Å
208P72.4Confident81.9Confident116 Ų11691.6 Ų91.675%0.75348%0.483SS*.SBendtrans-70.3-9.517230.1-33.8000112.2C206C206-P208 WeakPolarHBondContact O-CD 3.37Å
209L75.9Confident81.9Confident15 Ų1592 Ų928%0.07948%0.483CS..SBendtrans-105.3140-176.3-59169.6000111.4S207 Q213 W217 Y284S207-L209 PolarHBondContact O-N 3.04Å; S207-L209 PolarHBondContact OG-N 3.31Å; S207-L209 VanDerWaalsContact OG-N 3.15Å; S207-L209 PolarHBondContact OG-O 2.95Å; L209-Q213 VanDerWaalsContact CD2-CD 3.47Å; L209-Q213 HydrophobicContact CD2-CG 4.21Å; L209-W217 HydrophobicContact CD1-CE3 3.36Å; L209-W217 HydrophobicContact CD1-CZ3 3.45Å; L209-W217 VanDerWaalsContact CD1-CZ3 3.45Å; L209-Y284 HydrophobicContact CD1-CD2 3.74Å; L209-Y284 HydrophobicContact CD1-CE2 4.18Å; L209-Y284 HydrophobicContact CD1-CG 3.97Å; L209-Y284 HydrophobicContact CD2-CD1 3.81Å; L209-Y284 HydrophobicContact CD2-CD2 3.67Å; L209-Y284 HydrophobicContact CD2-CE1 3.5Å; L209-Y284 HydrophobicContact CD2-CE2 3.33Å; L209-Y284 HydrophobicContact CD2-CG 3.88Å; L209-Y284 HydrophobicContact CG-CD1 4.43Å; L209-Y284 HydrophobicContact CG-CD2 4.25Å; L209-Y284 HydrophobicContact CG-CE2 4.35Å; L209-Y284 HydrophobicContact CG-CG 4.27Å
210G80.9Confident82.2Confident46 Ų4689.4 Ų89.447%0.47447%0.467SS..  trans-64.2151.9167.700000111.9Q212 Q213 E214G210-Q212 VanDerWaalsContact C-N 3.31Å; G210-Q212 PolarHBondContact O-N 2.9Å; G210-Q213 WeakPolarHBondContact O-CB 3.39Å; G210-Q213 PolarHBondContact O-N 2.8Å; G210-E214 PolarHBondContact O-N 3.3Å
211Y79.9Confident82.5Confident169 Ų16988.6 Ų88.666%0.66346%0.457SS*.Hα-helixtrans-54.3-41.8-176.7173.2-99.3000113.7Q213 E214 A215Y211-Q213 VanDerWaalsContact C-N 3.32Å; Y211-Q213 PolarHBondContact O-N 2.9Å; Y211-E214 PolarHBondContact O-N 3.29Å; Y211-A215 WeakPolarHBondContact O-CB 3.31Å; Y211-A215 PolarHBondContact O-N 3.49Å
212Q86.2Confident82.8Confident168 Ų16889.7 Ų89.779%0.78547%0.465SS*.Hα-helixtrans-64.2-38178-70.8-176.9-17.200112.2G210 A215 Y216G210-Q212 VanDerWaalsContact C-N 3.31Å; G210-Q212 PolarHBondContact O-N 2.9Å; Q212-A215 PolarHBondContact O-N 3.43Å; Q212-Y216 WeakPolarHBondContact O-CB 3.49Å; Q212-Y216 PolarHBondContact O-N 2.95Å
213Q86.4Confident83.2Confident56 Ų5688 Ų8826%0.26246%0.458SS..Hα-helixtrans-71.9-37.7178.6-168.5179.15.100111.5L209 G210 Y211 Y216 W217 Y284L209-Q213 VanDerWaalsContact CD2-CD 3.47Å; L209-Q213 HydrophobicContact CD2-CG 4.21Å; G210-Q213 WeakPolarHBondContact O-CB 3.39Å; G210-Q213 PolarHBondContact O-N 2.8Å; Y211-Q213 VanDerWaalsContact C-N 3.32Å; Y211-Q213 PolarHBondContact O-N 2.9Å; Q213-Y216 PolarHBondContact O-N 3.42Å; Q213-W217 VanDerWaalsContact O-CB 3.26Å; Q213-W217 WeakPolarHBondContact O-CB 3.46Å; Q213-W217 PolarHBondContact O-N 2.94Å; Q213-Y284 PolarHBondContact NE2-OH 2.88Å
214E83Confident84Confident51 Ų5184.2 Ų84.224%0.23844%0.443CS..Hα-helixtrans-63.3-42.5173.1-171.4176.6-167.700111.5K203 G210 Y211 W217 S218K203-E214 WeakPolarHBondContact CE-OE1 3.38Å; K203-E214 IonicContact NZ-OE1 2.67Å; K203-E214 PolarHBondContact NZ-OE1 3.33Å; G210-E214 PolarHBondContact O-N 3.3Å; Y211-E214 PolarHBondContact O-N 3.29Å; E214-W217 PolarHBondContact O-N 2.88Å; E214-S218 PolarHBondContact O-N 2.86Å
215A85.1Confident84.7Confident50 Ų5079.1 Ų79.141%0.41343%0.426SS..Hα-helixtrans-63.2-45.8175.500000111.9Y211 Q212 W217 S218 Q219Y211-A215 WeakPolarHBondContact O-CB 3.31Å; Y211-A215 PolarHBondContact O-N 3.49Å; Q212-A215 PolarHBondContact O-N 3.43Å; A215-W217 VanDerWaalsContact C-N 3.34Å; A215-W217 PolarHBondContact O-N 3.45Å; A215-S218 PolarHBondContact O-N 3.46Å; A215-Q219 PolarHBondContact O-N 2.88Å
216Y89.6Confident85.4Confident129 Ų12977.1 Ų77.151%0.50641%0.408SS..Hα-helixtrans-59.7-44.8174.3178.6-90.4000111.5Q212 Q213 S218 Q219 F220 Y293Q212-Y216 WeakPolarHBondContact O-CB 3.49Å; Q212-Y216 PolarHBondContact O-N 2.95Å; Q213-Y216 PolarHBondContact O-N 3.42Å; Y216-S218 PolarHBondContact O-N 3.35Å; Y216-Q219 PolarHBondContact O-N 3.49Å; Y216-F220 HydrophobicContact CE1-CB 4.33Å; Y216-F220 WeakPolarHBondContact O-CB 3.29Å; Y216-F220 PolarHBondContact O-N 3.3Å; Y216-Y293 AromaticContact CD1-CE1 3.9Å; Y216-Y293 HydrophobicContact CD1-CE1 3.9Å; Y216-Y293 HydrophobicContact CD1-CE2 4.25Å; Y216-Y293 AromaticContact CD1-CZ 3.66Å; Y216-Y293 HydrophobicContact CE1-CD2 4.28Å; Y216-Y293 HydrophobicContact CE1-CE1 4.1Å; Y216-Y293 AromaticContact CE1-CE2 3.61Å; Y216-Y293 HydrophobicContact CE1-CE2 3.61Å; Y216-Y293 AromaticContact CE1-CZ 3.48Å; Y216-Y293 VanDerWaalsContact CE1-CZ 3.48Å
217W88.4Confident86.3Confident52 Ų5278 Ų7820%0.19741%0.407CS..Hα-helixtrans-61.3-44.4179.3-176.816.7000111.7L209 Q213 E214 A215 Q219 F220 R221 Y284 Y293L209-W217 HydrophobicContact CD1-CE3 3.36Å; L209-W217 HydrophobicContact CD1-CZ3 3.45Å; L209-W217 VanDerWaalsContact CD1-CZ3 3.45Å; Q213-W217 VanDerWaalsContact O-CB 3.26Å; Q213-W217 WeakPolarHBondContact O-CB 3.46Å; Q213-W217 PolarHBondContact O-N 2.94Å; E214-W217 PolarHBondContact O-N 2.88Å; A215-W217 VanDerWaalsContact C-N 3.34Å; A215-W217 PolarHBondContact O-N 3.45Å; W217-Q219 VanDerWaalsContact C-N 3.34Å; W217-Q219 PolarHBondContact O-N 2.9Å; W217-F220 PolarHBondContact O-N 3.47Å; W217-R221 WeakPolarHBondContact O-CB 3.01Å; W217-R221 WeakPolarHBondContact O-CG 3.05Å; W217-R221 PolarHBondContact O-N 3.48Å; W217-Y284 HydrophobicContact CE3-CD2 4.46Å; W217-Y284 HydrophobicContact CH2-CD2 4.5Å; W217-Y284 HydrophobicContact CZ3-CD2 4.3Å; W217-Y293 HydrophobicContact CB-CD1 3.93Å; W217-Y293 HydrophobicContact CB-CE1 4.21Å; W217-Y293 AromaticContact CD1-CD1 3.52Å; W217-Y293 AromaticContact CG-CD1 3.75Å; W217-Y293 HydrophobicContact CG-CD1 3.75Å; W217-Y293 HydrophobicContact CG-CE1 4.46Å; W217-Y293 PolarHBondContact NE1-O 3.2Å
218S85.9Confident87.3Confident85 Ų8580 Ų8059%0.59441%0.412SS*.Hα-helixtrans-58.7-45.6174.3-175.70000111.7E214 A215 Y216 R221 S222E214-S218 PolarHBondContact O-N 2.86Å; A215-S218 PolarHBondContact O-N 3.46Å; Y216-S218 PolarHBondContact O-N 3.35Å; S218-R221 PolarHBondContact O-N 3.05Å; S218-S222 PolarHBondContact O-N 3.28Å
219Q90.3Very high88.3Confident106 Ų10679.9 Ų79.950%0.49540%0.401SS..Hα-helixtrans-64.7-44.1177.9-171.264.438.400112.1A215 Y216 W217 R221 S222 N223A215-Q219 PolarHBondContact O-N 2.88Å; Y216-Q219 PolarHBondContact O-N 3.49Å; W217-Q219 VanDerWaalsContact C-N 3.34Å; W217-Q219 PolarHBondContact O-N 2.9Å; Q219-R221 VanDerWaalsContact C-N 3.31Å; Q219-R221 PolarHBondContact O-N 2.96Å; Q219-S222 WeakPolarHBondContact O-CB 3.11Å; Q219-S222 PolarHBondContact O-N 3.27Å; Q219-N223 PolarHBondContact NE2-OD1 3.36Å; Q219-N223 PolarHBondContact O-N 3.39Å
220F91.9Very high89Confident50 Ų5086.4 Ų86.422%0.21942%0.424CS..Hα-helixtrans-57-46.7176.4178.9-85.3000110.8Y216 W217 S222 N223 E224 Y293 N297Y216-F220 HydrophobicContact CE1-CB 4.33Å; Y216-F220 WeakPolarHBondContact O-CB 3.29Å; Y216-F220 PolarHBondContact O-N 3.3Å; W217-F220 PolarHBondContact O-N 3.47Å; F220-S222 VanDerWaalsContact C-N 3.32Å; F220-S222 PolarHBondContact O-N 2.93Å; F220-N223 PolarHBondContact O-N 2.89Å; F220-E224 HydrophobicContact CE1-CB 4.27Å; F220-E224 VanDerWaalsContact O-CB 3.25Å; F220-E224 WeakPolarHBondContact O-CB 3.36Å; F220-E224 PolarHBondContact O-N 3.48Å; F220-Y293 VanDerWaalsContact CD1-CB 3.43Å; F220-Y293 HydrophobicContact CD1-CD2 4.48Å; F220-Y293 HydrophobicContact CD1-CG 4.18Å; F220-Y293 HydrophobicContact CD2-CD2 4.45Å; F220-Y293 HydrophobicContact CG-CD2 4.38Å; F220-Y293 HydrophobicContact CG-CG 4.32Å; F220-N297 HydrophobicContact CE1-CB 4.25Å; F220-N297 HydrophobicContact CZ-CB 4.18Å; F220-N297 WeakPolarHBondContact CZ-ND2 2.94Å
221R89.3Confident89.5Confident84 Ų8488.6 Ų88.632%0.31743%0.429SS..Hα-helixtrans-62.9-37.5178.3-75.8-74.6-64.8-141.81.6112.8W217 S218 Q219 H225 Y293W217-R221 WeakPolarHBondContact O-CB 3.01Å; W217-R221 WeakPolarHBondContact O-CG 3.05Å; W217-R221 PolarHBondContact O-N 3.48Å; S218-R221 PolarHBondContact O-N 3.05Å; Q219-R221 VanDerWaalsContact C-N 3.31Å; Q219-R221 PolarHBondContact O-N 2.96Å; R221-H225 WeakPolarHBondContact O-CB 3.43Å; R221-H225 PolarHBondContact O-N 3.48Å; R221-H225 VanDerWaalsContact O-N 3.11Å; R221-Y293 WeakPolarHBondContact CD-O 3.37Å
222S89.4Confident90.1Very high71 Ų7182.2 Ų82.250%0.49741%0.411SS..Hα-helixtrans-65.8-50.5175.8-169.40000111.2S218 Q219 F220 E224 H225 D226S218-S222 PolarHBondContact O-N 3.28Å; Q219-S222 WeakPolarHBondContact O-CB 3.11Å; Q219-S222 PolarHBondContact O-N 3.27Å; F220-S222 VanDerWaalsContact C-N 3.32Å; F220-S222 PolarHBondContact O-N 2.93Å; S222-E224 PolarHBondContact O-N 2.95Å; S222-H225 PolarHBondContact O-N 3.48Å; S222-D226 PolarHBondContact O-N 3.02Å; S222-D226 VanDerWaalsContact O-N 3.07Å
223N93.5Very high90.4Very high77 Ų7777.8 Ų77.841%0.41239%0.393SS..Hα-helixtrans-62.7-44.2179.6-68.6-4.9000111.8Q219 F220 H225 D226 L227Q219-N223 PolarHBondContact NE2-OD1 3.36Å; Q219-N223 PolarHBondContact O-N 3.39Å; F220-N223 PolarHBondContact O-N 2.89Å; N223-H225 VanDerWaalsContact C-N 3.3Å; N223-H225 PolarHBondContact O-N 3.43Å; N223-D226 PolarHBondContact O-N 2.94Å; N223-L227 WeakPolarHBondContact O-CB 3.46Å; N223-L227 WeakPolarHBondContact O-CG 3.45Å; N223-L227 PolarHBondContact O-N 3.41Å
224E93.7Very high90.5Very high37 Ų3777 Ų7717%0.17339%0.392CS..Hα-helixtrans-59.5-42.6176.3-177.6-177-115.700111F220 S222 F228 S294 L296F220-E224 HydrophobicContact CE1-CB 4.27Å; F220-E224 VanDerWaalsContact O-CB 3.25Å; F220-E224 WeakPolarHBondContact O-CB 3.36Å; F220-E224 PolarHBondContact O-N 3.48Å; S222-E224 PolarHBondContact O-N 2.95Å; E224-F228 WeakPolarHBondContact O-CB 3.18Å; E224-F228 PolarHBondContact O-N 2.84Å; E224-S294 WeakPolarHBondContact OE1-CB 3.5Å; E224-S294 PolarHBondContact OE1-OG 3.25Å; E224-S294 WeakPolarHBondContact OE2-CB 3.4Å; E224-S294 PolarHBondContact OE2-OG 2.68Å; E224-L296 HydrophobicContact CG-CD2 4.11Å
225H90.4Very high90.9Very high73 Ų7376.6 Ų76.634%0.33839%0.39SS..Hα-helixtrans-65.1-44.8179.7-175.837.3000112.9K77 R221 S222 N223 F228 Q229K77-H225 PolarHBondContact NZ-CE1 3.39Å; K77-H225 VanDerWaalsContact NZ-CE1 3.28Å; K77-H225 PolarHBondContact NZ-ND1 2.76Å; R221-H225 WeakPolarHBondContact O-CB 3.43Å; R221-H225 PolarHBondContact O-N 3.48Å; R221-H225 VanDerWaalsContact O-N 3.11Å; S222-H225 PolarHBondContact O-N 3.48Å; N223-H225 VanDerWaalsContact C-N 3.3Å; N223-H225 PolarHBondContact O-N 3.43Å; H225-F228 PolarHBondContact O-N 3.46Å; H225-Q229 VanDerWaalsContact CE1-CD 3.44Å; H225-Q229 PolarHBondContact CE1-NE2 2.98Å; H225-Q229 WeakPolarHBondContact O-CG 3.4Å; H225-Q229 PolarHBondContact O-N 3.06Å
226D92.4Very high91.2Very high65 Ų6577.1 Ų77.135%0.34839%0.39SS..Hα-helixtrans-65.9-45.5179.7-176.334.3000111.2S222 N223 F228 Q229 R230S222-D226 PolarHBondContact O-N 3.02Å; S222-D226 VanDerWaalsContact O-N 3.07Å; N223-D226 PolarHBondContact O-N 2.94Å; D226-F228 PolarHBondContact O-N 3.44Å; D226-Q229 PolarHBondContact O-N 3.27Å; D226-R230 WeakPolarHBondContact O-CG 3.31Å; D226-R230 PolarHBondContact O-N 3.24Å; D226-R230 VanDerWaalsContact O-N 3.14Å; D226-R230 IonicContact OD1-CZ 2.67Å; D226-R230 VanDerWaalsContact OD1-CZ 3.25Å; D226-R230 IonicContact OD1-NE 3.77Å; D226-R230 PolarHBondContact OD1-NE 2.01Å; D226-R230 IonicContact OD1-NH2 3.14Å; D226-R230 PolarHBondContact OD1-NH2 2.62Å; D226-R230 IonicContact OD2-CZ 2.76Å; D226-R230 IonicContact OD2-NE 2.88Å; D226-R230 IonicContact OD2-NH1 2.85Å; D226-R230 IonicContact OD2-NH2 3.35Å; D226-R230 PolarHBondContact OD2-NH2 3.29Å
227L94.6Very high91.2Very high107 Ų10776.4 Ų76.456%0.5639%0.387SS*.Hα-helixtrans-61.4-44.4173.4-72.6170.5000111.6N223 Q229 R230 T231N223-L227 WeakPolarHBondContact O-CB 3.46Å; N223-L227 WeakPolarHBondContact O-CG 3.45Å; N223-L227 PolarHBondContact O-N 3.41Å; L227-Q229 PolarHBondContact O-N 2.85Å; L227-R230 PolarHBondContact O-N 3.16Å; L227-T231 WeakPolarHBondContact O-CB 3.4Å; L227-T231 PolarHBondContact O-N 2.83Å; L227-T231 PolarHBondContact O-OG1 3.42Å; L227-T231 VanDerWaalsContact O-OG1 3.04Å
228F93.8Very high91.2Very high73 Ų7374.4 Ų74.432%0.3238%0.38SS..Hα-helixtrans-60.9-43.8179.8-170-88.7000112.1E224 H225 D226 A232 W275 I278 L296E224-F228 WeakPolarHBondContact O-CB 3.18Å; E224-F228 PolarHBondContact O-N 2.84Å; H225-F228 PolarHBondContact O-N 3.46Å; D226-F228 PolarHBondContact O-N 3.44Å; F228-A232 HydrophobicContact CE1-CB 4.47Å; F228-A232 WeakPolarHBondContact O-CB 3.21Å; F228-A232 PolarHBondContact O-N 3.21Å; F228-W275 HydrophobicContact CE1-CH2 4.33Å; F228-W275 HydrophobicContact CE1-CZ3 4.01Å; F228-W275 AromaticContact CZ-CH2 3.83Å; F228-W275 HydrophobicContact CZ-CH2 3.83Å; F228-W275 AromaticContact CZ-CZ3 3.5Å; F228-W275 HydrophobicContact CZ-CZ3 3.5Å; F228-I278 HydrophobicContact CE2-CD1 3.9Å; F228-I278 HydrophobicContact CZ-CD1 3.91Å; F228-L296 HydrophobicContact CD2-CD2 3.83Å; F228-L296 HydrophobicContact CE2-CD2 4.22Å
229Q92.7Very high91.3Very high113 Ų11372.2 Ų72.253%0.52836%0.361SS..Hα-helixtrans-64.9-44178.8-78.2-171.7-39.700112.3H225 D226 L227 A232 D233H225-Q229 VanDerWaalsContact CE1-CD 3.44Å; H225-Q229 PolarHBondContact CE1-NE2 2.98Å; H225-Q229 WeakPolarHBondContact O-CG 3.4Å; H225-Q229 PolarHBondContact O-N 3.06Å; D226-Q229 PolarHBondContact O-N 3.27Å; L227-Q229 PolarHBondContact O-N 2.85Å; Q229-A232 PolarHBondContact O-N 2.84Å; Q229-D233 PolarHBondContact O-N 3.45Å
230R91.9Very high91.4Very high152 Ų15269.7 Ų69.757%0.57436%0.358SS*.Hα-helixtrans-62.9-45.8177.7-67.8176.2-163.5179.42.9111.5D226 L227 D233 V234D226-R230 WeakPolarHBondContact O-CG 3.31Å; D226-R230 PolarHBondContact O-N 3.24Å; D226-R230 VanDerWaalsContact O-N 3.14Å; D226-R230 IonicContact OD1-CZ 2.67Å; D226-R230 VanDerWaalsContact OD1-CZ 3.25Å; D226-R230 IonicContact OD1-NE 3.77Å; D226-R230 PolarHBondContact OD1-NE 2.01Å; D226-R230 IonicContact OD1-NH2 3.14Å; D226-R230 PolarHBondContact OD1-NH2 2.62Å; D226-R230 IonicContact OD2-CZ 2.76Å; D226-R230 IonicContact OD2-NE 2.88Å; D226-R230 IonicContact OD2-NH1 2.85Å; D226-R230 IonicContact OD2-NH2 3.35Å; D226-R230 PolarHBondContact OD2-NH2 3.29Å; L227-R230 PolarHBondContact O-N 3.16Å; R230-D233 PolarHBondContact O-N 3.36Å; R230-V234 WeakPolarHBondContact O-CG2 3.42Å; R230-V234 PolarHBondContact O-N 2.88Å
231T91.9Very high91.3Very high93 Ų9368.3 Ų68.357%0.57135%0.354SS*.Hα-helixtrans-67.6-37178.3-56.30000111.9L227 V234 H235L227-T231 WeakPolarHBondContact O-CB 3.4Å; L227-T231 PolarHBondContact O-N 2.83Å; L227-T231 PolarHBondContact O-OG1 3.42Å; L227-T231 VanDerWaalsContact O-OG1 3.04Å; T231-V234 PolarHBondContact O-N 3.35Å; T231-H235 WeakPolarHBondContact O-CB 3.38Å; T231-H235 PolarHBondContact O-N 2.96Å
232A91.4Very high91.2Very high35 Ų3568.4 Ų68.429%0.28936%0.358SS..Hα-helixtrans-65.6-39.217700000112.3F228 Q229 S236F228-A232 HydrophobicContact CE1-CB 4.47Å; F228-A232 WeakPolarHBondContact O-CB 3.21Å; F228-A232 PolarHBondContact O-N 3.21Å; Q229-A232 PolarHBondContact O-N 2.84Å; A232-S236 VanDerWaalsContact O-CB 3.27Å; A232-S236 WeakPolarHBondContact O-CB 3.32Å; A232-S236 PolarHBondContact O-N 3.28Å; A232-S236 PolarHBondContact O-OG 3.37Å
233D91.7Very high91.2Very high75 Ų7568.8 Ų68.840%0.40136%0.361SS..Hα-helixtrans-59.7-52.5174.2-17358.8000110.4Q229 R230 H235 S236 R237Q229-D233 PolarHBondContact O-N 3.45Å; R230-D233 PolarHBondContact O-N 3.36Å; D233-H235 PolarHBondContact O-N 2.77Å; D233-S236 PolarHBondContact O-N 2.81Å; D233-S236 PolarHBondContact O-OG 2.9Å; D233-R237 WeakPolarHBondContact O-CG 3.13Å; D233-R237 PolarHBondContact O-N 3.41Å; D233-R237 VanDerWaalsContact O-N 3.11Å; D233-R237 IonicContact OD1-NE 2.77Å; D233-R237 IonicContact OD1-NH2 3.65Å; D233-R237 IonicContact OD2-CZ 3.99Å; D233-R237 IonicContact OD2-NE 3.78Å; D233-R237 PolarHBondContact OD2-NE 3.02Å; D233-R237 VanDerWaalsContact OD2-NE 3.14Å; D233-R237 IonicContact OD2-NH2 2.71Å; D233-R237 PolarHBondContact OD2-NH2 3.25Å
234V90.4Very high91.1Very high39 Ų3968 Ų6824%0.23636%0.359CS..Hα-helixtrans-60.6-47.6178.8176.60000111.9R230 T231 S236 R237 I238R230-V234 WeakPolarHBondContact O-CG2 3.42Å; R230-V234 PolarHBondContact O-N 2.88Å; T231-V234 PolarHBondContact O-N 3.35Å; V234-S236 PolarHBondContact O-N 3.47Å; V234-R237 PolarHBondContact O-N 3.11Å; V234-I238 HydrophobicContact CG1-CD1 3.96Å; V234-I238 WeakPolarHBondContact O-CG1 3.24Å; V234-I238 PolarHBondContact O-N 3.36Å; V234-I238 VanDerWaalsContact O-N 3.07Å
235H90.4Very high91Very high42 Ų4272 Ų7219%0.19438%0.375CS..Hα-helixtrans-60.8-42.8179.1178.5-105.7000112.1T231 D233 R237 I238 L239 S268T231-H235 WeakPolarHBondContact O-CB 3.38Å; T231-H235 PolarHBondContact O-N 2.96Å; D233-H235 PolarHBondContact O-N 2.77Å; H235-R237 VanDerWaalsContact C-N 3.33Å; H235-R237 PolarHBondContact O-N 2.73Å; H235-I238 PolarHBondContact O-N 3.41Å; H235-L239 VanDerWaalsContact CE1-CD1 3.4Å; H235-L239 WeakPolarHBondContact CE1-CD1 3.38Å; H235-L239 PolarHBondContact O-N 3.14Å; H235-L239 VanDerWaalsContact O-N 3.17Å; H235-S268 PolarHBondContact NE2-O 2.92Å
236S91.3Very high90.9Very high61 Ų6173.7 Ų73.743%0.42740%0.395SS..Hα-helixtrans-64.7-37178.674.90000112.6A232 D233 V234 A240A232-S236 VanDerWaalsContact O-CB 3.27Å; A232-S236 WeakPolarHBondContact O-CB 3.32Å; A232-S236 PolarHBondContact O-N 3.28Å; A232-S236 PolarHBondContact O-OG 3.37Å; D233-S236 PolarHBondContact O-N 2.81Å; D233-S236 PolarHBondContact O-OG 2.9Å; V234-S236 PolarHBondContact O-N 3.47Å; S236-A240 WeakPolarHBondContact O-CB 3.24Å; S236-A240 PolarHBondContact O-N 3.45Å
237R89.8Confident91Very high115 Ų11579.4 Ų79.443%0.43441%0.413SS..Hα-helixtrans-65.6-46.6175.5-70.5178.9-167.6-150.510.9111.4D233 V234 H235 L239 A240 V241D233-R237 WeakPolarHBondContact O-CG 3.13Å; D233-R237 PolarHBondContact O-N 3.41Å; D233-R237 VanDerWaalsContact O-N 3.11Å; D233-R237 IonicContact OD1-NE 2.77Å; D233-R237 IonicContact OD1-NH2 3.65Å; D233-R237 IonicContact OD2-CZ 3.99Å; D233-R237 IonicContact OD2-NE 3.78Å; D233-R237 PolarHBondContact OD2-NE 3.02Å; D233-R237 VanDerWaalsContact OD2-NE 3.14Å; D233-R237 IonicContact OD2-NH2 2.71Å; D233-R237 PolarHBondContact OD2-NH2 3.25Å; V234-R237 PolarHBondContact O-N 3.11Å; H235-R237 VanDerWaalsContact C-N 3.33Å; H235-R237 PolarHBondContact O-N 2.73Å; R237-L239 VanDerWaalsContact C-N 3.33Å; R237-L239 PolarHBondContact O-N 3.37Å; R237-A240 PolarHBondContact O-N 2.95Å; R237-A240 VanDerWaalsContact O-N 3.16Å; R237-V241 VanDerWaalsContact O-CG2 3.28Å; R237-V241 WeakPolarHBondContact O-CG2 3.23Å; R237-V241 PolarHBondContact O-N 3.46Å
238I87.8Confident91Very high9 Ų980.5 Ų80.55%0.04641%0.414CS..Hα-helixtrans-55.2-49.7177.9-69.3162.7000110.7V234 H235 A240 V241 E242 L261 H264 A267V234-I238 HydrophobicContact CG1-CD1 3.96Å; V234-I238 WeakPolarHBondContact O-CG1 3.24Å; V234-I238 PolarHBondContact O-N 3.36Å; V234-I238 VanDerWaalsContact O-N 3.07Å; H235-I238 PolarHBondContact O-N 3.41Å; I238-A240 PolarHBondContact O-N 2.97Å; I238-V241 WeakPolarHBondContact O-CB 3.42Å; I238-V241 PolarHBondContact O-N 3.48Å; I238-E242 PolarHBondContact O-N 3.48Å; I238-L261 HydrophobicContact CB-CD1 4.34Å; I238-L261 HydrophobicContact CG1-CD1 4.23Å; I238-L261 HydrophobicContact CG2-CD1 3.82Å; I238-H264 HydrophobicContact CD1-CB 3.62Å; I238-A267 HydrophobicContact CG2-CB 3.89Å
239L89.7Confident90.7Very high40 Ų4080 Ų8021%0.20943%0.429CS..Hα-helixtrans-65.6-36.7179.1-67-178.4000112.9H235 R237 S243 P269H235-L239 VanDerWaalsContact CE1-CD1 3.4Å; H235-L239 WeakPolarHBondContact CE1-CD1 3.38Å; H235-L239 PolarHBondContact O-N 3.14Å; H235-L239 VanDerWaalsContact O-N 3.17Å; R237-L239 VanDerWaalsContact C-N 3.33Å; R237-L239 PolarHBondContact O-N 3.37Å; L239-S243 WeakPolarHBondContact O-CB 3.18Å; L239-S243 PolarHBondContact O-N 3.21Å; L239-S243 PolarHBondContact O-OG 3.43Å; L239-P269 HydrophobicContact CD1-CB 4.49Å
240A90.5Very high90.4Very high52 Ų5281.7 Ų81.743%0.4344%0.435SS..Hα-helixtrans-64.3-41.7174.700000111.3S236 R237 I238 S243 V244S236-A240 WeakPolarHBondContact O-CB 3.24Å; S236-A240 PolarHBondContact O-N 3.45Å; R237-A240 PolarHBondContact O-N 2.95Å; R237-A240 VanDerWaalsContact O-N 3.16Å; I238-A240 PolarHBondContact O-N 2.97Å; A240-S243 PolarHBondContact O-N 2.9Å; A240-V244 WeakPolarHBondContact O-CB 3.4Å; A240-V244 VanDerWaalsContact O-CG2 3.23Å; A240-V244 WeakPolarHBondContact O-CG2 3.47Å; A240-V244 PolarHBondContact O-N 2.85Å
241V90.1Very high90.2Very high22 Ų2276.2 Ų76.213%0.13342%0.419CS..Hα-helixtrans-60.6-48.8176167.70000111.1R237 I238 S243 V244 K245 V251 L253 L261R237-V241 VanDerWaalsContact O-CG2 3.28Å; R237-V241 WeakPolarHBondContact O-CG2 3.23Å; R237-V241 PolarHBondContact O-N 3.46Å; I238-V241 WeakPolarHBondContact O-CB 3.42Å; I238-V241 PolarHBondContact O-N 3.48Å; V241-S243 VanDerWaalsContact C-N 3.3Å; V241-S243 PolarHBondContact O-N 2.9Å; V241-V244 PolarHBondContact O-N 3.34Å; V241-K245 VanDerWaalsContact O-CB 3.23Å; V241-K245 WeakPolarHBondContact O-CB 3.38Å; V241-K245 PolarHBondContact O-N 3.4Å; V241-V251 HydrophobicContact CG1-CB 4.43Å; V241-V251 HydrophobicContact CG1-CG1 4.35Å; V241-V251 HydrophobicContact CG1-CG2 4.24Å; V241-V251 WeakPolarHBondContact O-CG2 3.46Å; V241-L253 HydrophobicContact CG1-CD1 3.82Å; V241-L253 HydrophobicContact CG1-CD2 4.3Å; V241-L253 HydrophobicContact CG2-CD2 3.61Å; V241-L261 HydrophobicContact CG1-CD1 4.24Å; V241-L261 HydrophobicContact CG1-CD2 4.03Å
242E86.9Confident90Very high85 Ų8576.3 Ų76.340%0.39743%0.428SS..Hα-helixtrans-60.1-41.5177.5-71-178.5173.200112.2I238 K245 S246I238-E242 PolarHBondContact O-N 3.48Å; E242-K245 PolarHBondContact O-N 3.07Å; E242-S246 WeakPolarHBondContact O-CB 3.44Å; E242-S246 PolarHBondContact O-N 3.01Å
243S89.8Confident89.7Confident79 Ų7976.3 Ų76.355%0.55242%0.423SS*.Hα-helixtrans-64.7-47178.8-58.10000112.1L239 A240 V241 S246 Y247L239-S243 WeakPolarHBondContact O-CB 3.18Å; L239-S243 PolarHBondContact O-N 3.21Å; L239-S243 PolarHBondContact O-OG 3.43Å; A240-S243 PolarHBondContact O-N 2.9Å; V241-S243 VanDerWaalsContact C-N 3.3Å; V241-S243 PolarHBondContact O-N 2.9Å; S243-S246 PolarHBondContact O-N 3.41Å; S243-Y247 PolarHBondContact O-N 2.86Å; S243-Y247 VanDerWaalsContact O-N 3.1Å
244V92.8Very high89.2Confident61 Ų6179.4 Ų79.437%0.3744%0.435SS..Hα-helixtrans-65.1-41.1177.2174.80000110.3A240 V241 S246 Y247 F248 V251A240-V244 WeakPolarHBondContact O-CB 3.4Å; A240-V244 VanDerWaalsContact O-CG2 3.23Å; A240-V244 WeakPolarHBondContact O-CG2 3.47Å; A240-V244 PolarHBondContact O-N 2.85Å; V241-V244 PolarHBondContact O-N 3.34Å; V244-S246 VanDerWaalsContact C-N 3.32Å; V244-S246 PolarHBondContact O-N 3.17Å; V244-Y247 PolarHBondContact O-N 2.61Å; V244-F248 HydrophobicContact CG1-CD2 3.65Å; V244-F248 HydrophobicContact CG1-CE2 4.14Å; V244-F248 PolarHBondContact O-N 3.25Å; V244-V251 HydrophobicContact CB-CG2 4.05Å; V244-V251 HydrophobicContact CG1-CG1 4.47Å; V244-V251 HydrophobicContact CG1-CG2 3.92Å
245K90.6Very high88.6Confident121 Ų12186.6 Ų86.653%0.52646%0.463SS..Hα-helixtrans-60.3-43.4175.6-167.7178176.1-177.50111.3V241 E242 Y247 G249 V251V241-K245 VanDerWaalsContact O-CB 3.23Å; V241-K245 WeakPolarHBondContact O-CB 3.38Å; V241-K245 PolarHBondContact O-N 3.4Å; E242-K245 PolarHBondContact O-N 3.07Å; K245-Y247 VanDerWaalsContact C-N 3.3Å; K245-Y247 PolarHBondContact O-N 3.28Å; K245-G249 CarbonylContact O-C 3.51Å; K245-G249 WeakPolarHBondContact O-CA 3.15Å; K245-G249 PolarHBondContact O-N 3.47Å; K245-V251 VanDerWaalsContact CA-CG2 3.46Å; K245-V251 HydrophobicContact CB-CG2 3.51Å; K245-V251 HydrophobicContact CG-CG2 4.24Å; K245-V251 VanDerWaalsContact N-CG2 3.27Å
246S89.4Confident87.7Confident108 Ų10891.6 Ų91.676%0.75549%0.487SS*.Hα-helixtrans-67.5-30.7179.2-172.10000112.6E242 S243 V244E242-S246 WeakPolarHBondContact O-CB 3.44Å; E242-S246 PolarHBondContact O-N 3.01Å; S243-S246 PolarHBondContact O-N 3.41Å; V244-S246 VanDerWaalsContact C-N 3.32Å; V244-S246 PolarHBondContact O-N 3.17Å
247Y93.8Very high86.9Confident186 Ų18691.5 Ų91.573%0.72948%0.48SS*.Hα-helixtrans-82-47.5179.2-176.3-97.5000112.8S243 V244 K245S243-Y247 PolarHBondContact O-N 2.86Å; S243-Y247 VanDerWaalsContact O-N 3.1Å; V244-Y247 PolarHBondContact O-N 2.61Å; K245-Y247 VanDerWaalsContact C-N 3.3Å; K245-Y247 PolarHBondContact O-N 3.28Å
248F94.2Very high86.2Confident130 Ų13091 Ų9157%0.5748%0.481SS*.Hα-helixtrans-94-12.8-175.5-69.3-73000114.3V244 F250V244-F248 HydrophobicContact CG1-CD2 3.65Å; V244-F248 HydrophobicContact CG1-CE2 4.14Å; V244-F248 PolarHBondContact O-N 3.25Å; F248-F250 WeakPolarHBondContact O-CD1 3.43Å; F248-F250 PolarHBondContact O-N 3Å
249G88.3Confident85.6Confident62 Ų6296 Ų9664%0.63950%0.504SS*.SBendtrans82.3-10.4-173.800000114.7K245K245-G249 CarbonylContact O-C 3.51Å; K245-G249 WeakPolarHBondContact O-CA 3.15Å; K245-G249 PolarHBondContact O-N 3.47Å
250F86.1Confident84.6Confident148 Ų14897.7 Ų97.765%0.64951%0.511SS*.  trans-154.3164.9176.367.8-83.1000110.8F248F248-F250 WeakPolarHBondContact O-CD1 3.43Å; F248-F250 PolarHBondContact O-N 3Å
251V87.8Confident83.8Confident38 Ų3897.1 Ų97.123%0.2350%0.5CS..  trans-136133.6172.6-174.70000108.4V241 V244 K245 L253V241-V251 HydrophobicContact CG1-CB 4.43Å; V241-V251 HydrophobicContact CG1-CG1 4.35Å; V241-V251 HydrophobicContact CG1-CG2 4.24Å; V241-V251 WeakPolarHBondContact O-CG2 3.46Å; V244-V251 HydrophobicContact CB-CG2 4.05Å; V244-V251 HydrophobicContact CG1-CG1 4.47Å; V244-V251 HydrophobicContact CG1-CG2 3.92Å; K245-V251 VanDerWaalsContact CA-CG2 3.46Å; K245-V251 HydrophobicContact CB-CG2 3.51Å; K245-V251 HydrophobicContact CG-CG2 4.24Å; K245-V251 VanDerWaalsContact N-CG2 3.27Å; V251-L253 HydrophobicContact CB-CG 4.24Å; V251-L253 HydrophobicContact CG1-CD1 4.45Å; V251-L253 HydrophobicContact CG1-CD2 3.8Å; V251-L253 HydrophobicContact CG1-CG 3.78Å; V251-L253 PolarHBondContact O-N 3Å
252A86.8Confident82.9Confident94 Ų94102.5 Ų102.578%0.77752%0.524SS*.  trans-80.4108.5169.900000108.6
253L85.8Confident82.5Confident35 Ų35104.3 Ų104.318%0.18353%0.533CS..  trans-120.4144.8-179.6-67.5169.9000111V241 V251 E257 K258 L261V241-L253 HydrophobicContact CG1-CD1 3.82Å; V241-L253 HydrophobicContact CG1-CD2 4.3Å; V241-L253 HydrophobicContact CG2-CD2 3.61Å; V251-L253 HydrophobicContact CB-CG 4.24Å; V251-L253 HydrophobicContact CG1-CD1 4.45Å; V251-L253 HydrophobicContact CG1-CD2 3.8Å; V251-L253 HydrophobicContact CG1-CG 3.78Å; V251-L253 PolarHBondContact O-N 3Å; L253-E257 HydrophobicContact CB-CB 4.35Å; L253-E257 HydrophobicContact CD2-CB 4.08Å; L253-E257 WeakPolarHBondContact CD2-OE2 3.3Å; L253-K258 HydrophobicContact CB-CG 3.8Å; L253-K258 HydrophobicContact CD1-CG 4.15Å; L253-L261 HydrophobicContact CD1-CD2 4.24Å
254E81.6Confident81.9Confident140 Ų140105.1 Ų105.165%0.65453%0.527SS*.  trans-71162.1168.1-63.9-173.9176.600111E256 E257 K258E254-E256 VanDerWaalsContact C-N 3.28Å; E254-E256 PolarHBondContact O-N 3.4Å; E254-E257 HydrophobicContact CB-CG 4.41Å; E254-E257 PolarHBondContact N-OE2 2.73Å; E254-E257 VanDerWaalsContact N-OE2 3.16Å; E254-E257 PolarHBondContact O-N 2.89Å; E254-K258 PolarHBondContact O-N 3.29Å; E254-K258 VanDerWaalsContact O-N 3.17Å
255K77.2Confident80.5Confident190 Ų190108.7 Ų108.783%0.82654%0.54SS*.Hα-helixtrans-61.5-37.2-175.5-70.8-175.7-179.5179.40112.6K258 Q259K255-K258 PolarHBondContact O-N 3.34Å; K255-Q259 PolarHBondContact O-N 3.42Å
256E72.1Confident79.4Confident147 Ų147110.5 Ų110.569%0.68756%0.556SS**Hα-helixtrans-67.5-39.4179.7-63.3179.2-176.700111.6E254 K258 Q259 Q260E254-E256 VanDerWaalsContact C-N 3.28Å; E254-E256 PolarHBondContact O-N 3.4Å; E256-K258 PolarHBondContact O-N 3.44Å; E256-Q259 PolarHBondContact O-N 2.97Å; E256-Q260 PolarHBondContact O-N 3.38Å; E256-Q260 VanDerWaalsContact O-N 3.1Å
257E74.1Confident78.7Confident59 Ų59106.5 Ų106.528%0.27653%0.529SS..Hα-helixtrans-69.4-33.9178.5-60.6-178.7133.700112.1L253 E254 Q259 Q260 L261L253-E257 HydrophobicContact CB-CB 4.35Å; L253-E257 HydrophobicContact CD2-CB 4.08Å; L253-E257 WeakPolarHBondContact CD2-OE2 3.3Å; E254-E257 HydrophobicContact CB-CG 4.41Å; E254-E257 PolarHBondContact N-OE2 2.73Å; E254-E257 VanDerWaalsContact N-OE2 3.16Å; E254-E257 PolarHBondContact O-N 2.89Å; E257-Q259 VanDerWaalsContact C-N 3.34Å; E257-Q260 PolarHBondContact O-N 3.5Å; E257-L261 WeakPolarHBondContact O-CB 3.32Å; E257-L261 PolarHBondContact O-N 2.94Å
258K74.3Confident78.1Confident106 Ų106101.4 Ų101.446%0.46152%0.521SS..Hα-helixtrans-63.3-41.4173.1-71.1-177.8-178.1-177.90111.9L253 E254 K255 E256 L261 E262L253-K258 HydrophobicContact CB-CG 3.8Å; L253-K258 HydrophobicContact CD1-CG 4.15Å; E254-K258 PolarHBondContact O-N 3.29Å; E254-K258 VanDerWaalsContact O-N 3.17Å; K255-K258 PolarHBondContact O-N 3.34Å; E256-K258 PolarHBondContact O-N 3.44Å; K258-L261 PolarHBondContact O-N 3.42Å; K258-E262 WeakPolarHBondContact O-CG 3.35Å; K258-E262 PolarHBondContact O-N 2.96Å
259Q74.8Confident77.7Confident114 Ų114100.1 Ų100.153%0.53353%0.525SS..Hα-helixtrans-66.5-42.4178.2-171.3176.3-13.400111.5K255 E256 E257 L261 E262 E263K255-Q259 PolarHBondContact O-N 3.42Å; E256-Q259 PolarHBondContact O-N 2.97Å; E257-Q259 VanDerWaalsContact C-N 3.34Å; Q259-L261 VanDerWaalsContact C-N 3.29Å; Q259-L261 PolarHBondContact O-N 3.43Å; Q259-E262 PolarHBondContact O-N 3.33Å; Q259-E263 PolarHBondContact NE2-OE1 2.88Å; Q259-E263 VanDerWaalsContact NE2-OE1 3.09Å; Q259-E263 WeakPolarHBondContact O-CG 3.35Å; Q259-E263 PolarHBondContact O-N 3.4Å
260Q70.3Confident77.7Confident74 Ų74101.2 Ų101.235%0.34652%0.515SS..Hα-helixtrans-61.6-38.1175.4-71.9-178.9-14.100112.6E256 E257 H264E256-Q260 PolarHBondContact O-N 3.38Å; E256-Q260 VanDerWaalsContact O-N 3.1Å; E257-Q260 PolarHBondContact O-N 3.5Å; Q260-H264 WeakPolarHBondContact O-CB 3.06Å; Q260-H264 PolarHBondContact O-N 2.9Å; Q260-H264 PolarHBondContact O-ND1 3.27Å
261L72.4Confident77.7Confident40 Ų4097 Ų9721%0.20950%0.504CS..Hα-helixtrans-66-40.5175.9-168.572.6000111.8I238 V241 L253 E257 K258 Q259 H264 Q265I238-L261 HydrophobicContact CB-CD1 4.34Å; I238-L261 HydrophobicContact CG1-CD1 4.23Å; I238-L261 HydrophobicContact CG2-CD1 3.82Å; V241-L261 HydrophobicContact CG1-CD1 4.24Å; V241-L261 HydrophobicContact CG1-CD2 4.03Å; L253-L261 HydrophobicContact CD1-CD2 4.24Å; E257-L261 WeakPolarHBondContact O-CB 3.32Å; E257-L261 PolarHBondContact O-N 2.94Å; K258-L261 PolarHBondContact O-N 3.42Å; Q259-L261 VanDerWaalsContact C-N 3.29Å; Q259-L261 PolarHBondContact O-N 3.43Å; L261-H264 PolarHBondContact O-N 3.37Å; L261-Q265 VanDerWaalsContact O-CG 3.24Å; L261-Q265 WeakPolarHBondContact O-CG 3.4Å; L261-Q265 PolarHBondContact O-N 3.02Å
262E72.6Confident77.7Confident136 Ų13699.2 Ų99.264%0.63652%0.522SS*.Hα-helixtrans-69.2-36.2176.9-74.4177.3-17000112.8K258 Q259 H264 Q265K258-E262 WeakPolarHBondContact O-CG 3.35Å; K258-E262 PolarHBondContact O-N 2.96Å; Q259-E262 PolarHBondContact O-N 3.33Å; E262-H264 VanDerWaalsContact C-N 3.32Å; E262-H264 PolarHBondContact O-N 2.98Å; E262-Q265 WeakPolarHBondContact O-CG 3.48Å
263E78.1Confident77.6Confident123 Ų12398.5 Ų98.558%0.57551%0.508SS*.Hα-helixtrans-70.6-26.1176.6-74.2174.3-171.900112.8Q259Q259-E263 PolarHBondContact NE2-OE1 2.88Å; Q259-E263 VanDerWaalsContact NE2-OE1 3.09Å; Q259-E263 WeakPolarHBondContact O-CG 3.35Å; Q259-E263 PolarHBondContact O-N 3.4Å
264H76.2Confident77.6Confident96 Ų9698.9 Ų98.944%0.44451%0.508SS..THydrogen-bonded Turntrans-12333.1-171.6-60.284.6000114.2I238 Q260 L261 E262 N266 A267I238-H264 HydrophobicContact CD1-CB 3.62Å; Q260-H264 WeakPolarHBondContact O-CB 3.06Å; Q260-H264 PolarHBondContact O-N 2.9Å; Q260-H264 PolarHBondContact O-ND1 3.27Å; L261-H264 PolarHBondContact O-N 3.37Å; E262-H264 VanDerWaalsContact C-N 3.32Å; E262-H264 PolarHBondContact O-N 2.98Å; H264-N266 PolarHBondContact O-N 3.27Å; H264-A267 PolarHBondContact O-N 2.88Å; H264-A267 VanDerWaalsContact O-N 3.11Å
265Q63.3Low77.9Confident135 Ų13596.7 Ų96.763%0.63149%0.494SS*.THydrogen-bonded Turntrans-56.9-15.1-175.8-70.1179.61.300116L261 E262L261-Q265 VanDerWaalsContact O-CG 3.24Å; L261-Q265 WeakPolarHBondContact O-CG 3.4Å; L261-Q265 PolarHBondContact O-N 3.02Å; E262-Q265 WeakPolarHBondContact O-CG 3.48Å
266N67.4Low78.3Confident160 Ų16090.8 Ų90.886%0.85647%0.472SS*.THydrogen-bonded Turntrans-97.814-178.9-65.2-27.6000113.6H264 S268H264-N266 PolarHBondContact O-N 3.27Å; N266-S268 PolarHBondContact O-N 3.46Å; N266-S268 VanDerWaalsContact O-N 3.15Å
267A76.5Confident78.9Confident24 Ų2485.2 Ų85.220%0.19845%0.445CS..  trans-65.2114.2177.700000110.4I238 H264I238-A267 HydrophobicContact CG2-CB 3.89Å; H264-A267 PolarHBondContact O-N 2.88Å; H264-A267 VanDerWaalsContact O-N 3.11Å
268S81.4Confident79.6Confident79 Ų7984.1 Ų84.155%0.55244%0.44SS*.PPolyproline II helixtrans-101.4153.417650.60000111.3H235 N266H235-S268 PolarHBondContact NE2-O 2.92Å; N266-S268 PolarHBondContact O-N 3.46Å; N266-S268 VanDerWaalsContact O-N 3.15Å
269P84.9Confident80.1Confident103 Ų10381.3 Ų81.367%0.66943%0.432SS*.PPolyproline II helixtrans-65.7134.1171.226.2-32.5000110.3L239L239-P269 HydrophobicContact CD1-CB 4.49Å
270I87.9Confident80.4Confident84 Ų8476.1 Ų76.143%0.43141%0.409SS..PPolyproline II helixtrans-89.8129.9179.5-59.9165000108.7E274 W275I270-E274 HydrophobicContact CG2-CB 3.71Å; I270-W275 HydrophobicContact CD1-CZ2 4.11Å; I270-W275 HydrophobicContact CG2-CG 4.43Å
271S87.5Confident80.9Confident59 Ų5973.8 Ų73.841%0.41340%0.399SS..PPolyproline II helixtrans-68.4154.4-179.968.50000112.4T273 E274 W275S271-T273 PolarHBondContact O-N 3.27Å; S271-T273 PolarHBondContact OG-OG1 2.97Å; S271-E274 PolarHBondContact O-N 3.47Å; S271-E274 WeakPolarHBondContact OG-CG 3.44Å; S271-W275 VanDerWaalsContact O-CD1 3.25Å; S271-W275 PolarHBondContact O-N 2.85Å
272S85.8Confident81.1Confident86 Ų8673 Ų7360%0.60140%0.397SS*.Hα-helixtrans-62.8-26.4179.260.10000113.3N276S272-N276 PolarHBondContact O-N 3.5Å; S272-N276 VanDerWaalsContact O-N 3.07Å; S272-N276 PolarHBondContact O-ND2 3.35Å
273T84.6Confident81.3Confident79 Ų7969.9 Ų69.949%0.48538%0.384SS..Hα-helixtrans-67.9-39.317651.20000111.9S271 N276 R277S271-T273 PolarHBondContact O-N 3.27Å; S271-T273 PolarHBondContact OG-OG1 2.97Å; T273-N276 PolarHBondContact O-N 3.49Å; T273-R277 WeakPolarHBondContact O-CG 3.27Å; T273-R277 PolarHBondContact O-N 2.88Å; T273-R277 VanDerWaalsContact O-N 3.11Å
274E86.3Confident81.3Confident42 Ų4266.2 Ų66.220%0.19637%0.365CS..Hα-helixtrans-68.5-41.8176.9-67.5-65.7106.600111.5I270 S271 N276 R277 I278 W299I270-E274 HydrophobicContact CG2-CB 3.71Å; S271-E274 PolarHBondContact O-N 3.47Å; S271-E274 WeakPolarHBondContact OG-CG 3.44Å; E274-N276 VanDerWaalsContact C-N 3.33Å; E274-N276 PolarHBondContact O-N 2.67Å; E274-R277 WeakPolarHBondContact O-CB 3.49Å; E274-R277 PolarHBondContact O-N 2.89Å; E274-R277 VanDerWaalsContact O-N 3.09Å; E274-R277 VanDerWaalsContact OE1-CD 3.26Å; E274-R277 WeakPolarHBondContact OE1-CD 3.41Å; E274-R277 IonicContact OE1-CZ 3.7Å; E274-R277 IonicContact OE1-NE 2.64Å; E274-R277 IonicContact OE1-NH1 3Å; E274-R277 PolarHBondContact OE1-NH1 2.98Å; E274-I278 PolarHBondContact O-N 3.39Å; E274-W299 VanDerWaalsContact OE2-CE2 3.23Å; E274-W299 WeakPolarHBondContact OE2-CZ2 3.44Å; E274-W299 PolarHBondContact OE2-NE1 2.81Å
275W88.1Confident81.4Confident95 Ų9566.4 Ų66.436%0.3636%0.362SS..Hα-helixtrans-55.7-48170.9-77.3108.7000111.9F228 I270 S271 R277 I278 T279F228-W275 HydrophobicContact CE1-CH2 4.33Å; F228-W275 HydrophobicContact CE1-CZ3 4.01Å; F228-W275 AromaticContact CZ-CH2 3.83Å; F228-W275 HydrophobicContact CZ-CH2 3.83Å; F228-W275 AromaticContact CZ-CZ3 3.5Å; F228-W275 HydrophobicContact CZ-CZ3 3.5Å; I270-W275 HydrophobicContact CD1-CZ2 4.11Å; I270-W275 HydrophobicContact CG2-CG 4.43Å; S271-W275 VanDerWaalsContact O-CD1 3.25Å; S271-W275 PolarHBondContact O-N 2.85Å; W275-R277 PolarHBondContact O-N 3.39Å; W275-I278 HydrophobicContact CE3-CD1 4.05Å; W275-I278 HydrophobicContact CZ3-CD1 4.23Å; W275-I278 VanDerWaalsContact O-CG1 3.27Å; W275-I278 WeakPolarHBondContact O-CG1 3.11Å; W275-I278 PolarHBondContact O-N 3.3Å; W275-T279 PolarHBondContact O-N 3.37Å; W275-T279 VanDerWaalsContact O-N 3.15Å; W275-T279 PolarHBondContact O-OG1 2.97Å
276N86.3Confident82.3Confident65 Ų6565.2 Ų65.235%0.34836%0.356SS..Hα-helixtrans-61.7-31.5178.4-71.1-24.4000112.5L88 R89 S272 T273 E274L88-N276 HydrophobicContact CD1-CB 4.03Å; L88-N276 HydrophobicContact CD2-CB 4.23Å; L88-N276 WeakPolarHBondContact CD2-OD1 3.25Å; R89-N276 PolarHBondContact NH2-O 2.83Å; S272-N276 PolarHBondContact O-N 3.5Å; S272-N276 VanDerWaalsContact O-N 3.07Å; S272-N276 PolarHBondContact O-ND2 3.35Å; T273-N276 PolarHBondContact O-N 3.49Å; E274-N276 VanDerWaalsContact C-N 3.33Å; E274-N276 PolarHBondContact O-N 2.67Å
277R84.2Confident82.7Confident31 Ų3158.8 Ų58.812%0.11732%0.321CS..Hα-helixtrans-67.5-36.9179.8-76.6166.4172.3-169.4-3.6112.5T273 E274 W275 R295 M311 E312 M315T273-R277 WeakPolarHBondContact O-CG 3.27Å; T273-R277 PolarHBondContact O-N 2.88Å; T273-R277 VanDerWaalsContact O-N 3.11Å; E274-R277 WeakPolarHBondContact O-CB 3.49Å; E274-R277 PolarHBondContact O-N 2.89Å; E274-R277 VanDerWaalsContact O-N 3.09Å; E274-R277 VanDerWaalsContact OE1-CD 3.26Å; E274-R277 WeakPolarHBondContact OE1-CD 3.41Å; E274-R277 IonicContact OE1-CZ 3.7Å; E274-R277 IonicContact OE1-NE 2.64Å; E274-R277 IonicContact OE1-NH1 3Å; E274-R277 PolarHBondContact OE1-NH1 2.98Å; W275-R277 PolarHBondContact O-N 3.39Å; R277-R295 PolarHBondContact O-NE 2.83Å; R277-R295 VanDerWaalsContact O-NE 3.15Å; R277-R295 PolarHBondContact O-NH2 3.16Å; R277-M311 HydrophobicContact CG-CE 4.47Å; R277-E312 IonicContact CZ-OE1 3.25Å; R277-E312 IonicContact NH2-OE1 3.83Å; R277-E312 PolarHBondContact NH2-OE1 3.4Å; R277-E312 IonicContact NH2-OE2 3.89Å; R277-M315 HydrophobicContact CG-CE 4.26Å; R277-M315 HydrophobicContact CG-SD 4.42Å
278I88Confident82.8Confident36 Ų3667.7 Ų67.719%0.18535%0.349CS..Hα-helixtrans-88.2-15.7-179.566.6168.5000113.6F228 E274 W275 R295 L296 W299F228-I278 HydrophobicContact CE2-CD1 3.9Å; F228-I278 HydrophobicContact CZ-CD1 3.91Å; E274-I278 PolarHBondContact O-N 3.39Å; W275-I278 HydrophobicContact CE3-CD1 4.05Å; W275-I278 HydrophobicContact CZ3-CD1 4.23Å; W275-I278 VanDerWaalsContact O-CG1 3.27Å; W275-I278 WeakPolarHBondContact O-CG1 3.11Å; W275-I278 PolarHBondContact O-N 3.3Å; I278-R295 WeakPolarHBondContact O-CB 3.33Å; I278-L296 HydrophobicContact CB-CB 4.49Å; I278-L296 HydrophobicContact CB-CD1 4.45Å; I278-L296 HydrophobicContact CD1-CD1 4.41Å; I278-L296 HydrophobicContact CG2-CB 4.42Å; I278-L296 HydrophobicContact CG2-CD1 3.82Å; I278-W299 HydrophobicContact CG2-CB 3.95Å; I278-W299 HydrophobicContact CG2-CD2 4.41Å; I278-W299 HydrophobicContact CG2-CG 4.02Å
279T85.7Confident82.6Confident46 Ų4666.6 Ų66.628%0.28235%0.351SS..  trans-84.6143.5176-550000112.9R89 W275R89-T279 PolarHBondContact NH1-O 3.46Å; W275-T279 PolarHBondContact O-N 3.37Å; W275-T279 VanDerWaalsContact O-N 3.15Å; W275-T279 PolarHBondContact O-OG1 2.97Å
280G81.6Confident82.5Confident6 Ų666.9 Ų66.96%0.06235%0.346CS..SBendtrans120.7-174.8171.600000113.8
281I80.1Confident82.3Confident25 Ų2564 Ų6413%0.12833%0.333CS..  trans-70.9135.3-178.7-63.8164.4000110.2D81 L82 E85 L94 V102 L283D81-I281 HydrophobicContact CB-CG1 4.21Å; L82-I281 HydrophobicContact CB-CD1 3.8Å; L82-I281 HydrophobicContact CD1-CD1 3.41Å; L82-I281 VanDerWaalsContact CD1-CD1 3.41Å; L82-I281 HydrophobicContact CG-CD1 4.2Å; E85-I281 HydrophobicContact CB-CD1 4.47Å; L94-I281 HydrophobicContact CD1-CD1 4.49Å; V102-I281 HydrophobicContact CG1-CD1 3.9Å; V102-I281 HydrophobicContact CG2-CD1 4.25Å; V102-I281 HydrophobicContact CG2-CG2 4.25Å; I281-L283 HydrophobicContact CG2-CD2 4.21Å; I281-L283 HydrophobicContact CG2-CG 4.38Å
282C77.1Confident82.3Confident24 Ų2461.4 Ų61.416%0.16231%0.314CS..  trans-106.8111.7169.4-162.40000109.7S294 R295C282-S294 VanDerWaalsContact SG-CA 3.51Å; C282-R295 HydrophobicContact CB-CG 4.13Å
283L77.1Confident82.3Confident69 Ų6958.8 Ų58.836%0.36129%0.291SS..  trans-86.5144.6165.6-60.5174.8000108.6A98 I281 R285A98-L283 HydrophobicContact CB-CD1 3.67Å; A98-L283 HydrophobicContact CB-CD2 4.02Å; I281-L283 HydrophobicContact CG2-CD2 4.21Å; I281-L283 HydrophobicContact CG2-CG 4.38Å; L283-R285 PolarHBondContact O-N 3.47Å
284Y77.5Confident82.6Confident47 Ų4755.1 Ų55.118%0.18427%0.269CS..  trans-57.2130.7176.5-179.3-97.7000110.3L209 Q213 W217 E286 P291L209-Y284 HydrophobicContact CD1-CD2 3.74Å; L209-Y284 HydrophobicContact CD1-CE2 4.18Å; L209-Y284 HydrophobicContact CD1-CG 3.97Å; L209-Y284 HydrophobicContact CD2-CD1 3.81Å; L209-Y284 HydrophobicContact CD2-CD2 3.67Å; L209-Y284 HydrophobicContact CD2-CE1 3.5Å; L209-Y284 HydrophobicContact CD2-CE2 3.33Å; L209-Y284 HydrophobicContact CD2-CG 3.88Å; L209-Y284 HydrophobicContact CG-CD1 4.43Å; L209-Y284 HydrophobicContact CG-CD2 4.25Å; L209-Y284 HydrophobicContact CG-CE2 4.35Å; L209-Y284 HydrophobicContact CG-CG 4.27Å; Q213-Y284 PolarHBondContact NE2-OH 2.88Å; W217-Y284 HydrophobicContact CE3-CD2 4.46Å; W217-Y284 HydrophobicContact CH2-CD2 4.5Å; W217-Y284 HydrophobicContact CZ3-CD2 4.3Å; Y284-E286 HydrophobicContact CE1-CG 3.72Å; Y284-E286 WeakPolarHBondContact CE1-OE1 3.21Å; Y284-E286 VanDerWaalsContact OH-CD 3.3Å; Y284-E286 VanDerWaalsContact OH-CG 3.25Å; Y284-E286 WeakPolarHBondContact OH-CG 3.5Å; Y284-E286 PolarHBondContact OH-OE1 3.29Å; Y284-P291 HydrophobicContact CE2-CB 3.75Å
285R78Confident82.6Confident99 Ų9954.8 Ų54.837%0.37427%0.266SS..EExtended strand (participates in β ladder)trans-144.9154.6174.9-70.5-170.7-179.1-168.90.3109.5L283 L292L283-R285 PolarHBondContact O-N 3.47Å; R285-L292 HydrophobicContact CB-CD1 4.32Å; R285-L292 WeakPolarHBondContact O-CB 3.28Å; R285-L292 PolarHBondContact O-N 3.45Å
286E81.4Confident82.8Confident111 Ų11152.4 Ų52.452%0.51926%0.26SS..EExtended strand (participates in β ladder)trans-117.1140.9172.1-69.1175.3-166.200109.9Y284 L290Y284-E286 HydrophobicContact CE1-CG 3.72Å; Y284-E286 WeakPolarHBondContact CE1-OE1 3.21Å; Y284-E286 VanDerWaalsContact OH-CD 3.3Å; Y284-E286 VanDerWaalsContact OH-CG 3.25Å; Y284-E286 WeakPolarHBondContact OH-CG 3.5Å; Y284-E286 PolarHBondContact OH-OE1 3.29Å; E286-L290 CarbonylContact C-O 3.5Å; E286-L290 VanDerWaalsContact CA-O 3.25Å; E286-L290 WeakPolarHBondContact CA-O 3.39Å
287K76.5Confident83Confident24 Ų2450.7 Ų50.710%0.10425%0.251CS..EExtended strand (participates in β ladder)trans-115.8115.2171.6-174-170.1-176.8-167.30107.7G289 L290 L292 Y302 E305K287-G289 PolarHBondContact O-N 3.45Å; K287-L290 PolarHBondContact N-O 3.46Å; K287-L290 WeakPolarHBondContact O-CB 3.48Å; K287-L290 PolarHBondContact O-N 3.26Å; K287-L292 HydrophobicContact CB-CD1 4.31Å; K287-L292 HydrophobicContact CB-CG 4.48Å; K287-Y302 HydrophobicContact CD-CD2 4.48Å; K287-Y302 HydrophobicContact CD-CE2 3.73Å; K287-E305 IonicContact NZ-OE1 2.94Å; K287-E305 PolarHBondContact NZ-OE1 2.93Å; K287-E305 IonicContact NZ-OE2 2.66Å; K287-E305 PolarHBondContact NZ-OE2 3.27Å
288R77.9Confident83.1Confident211 Ų21150.4 Ų50.480%0.79625%0.25SS*.THydrogen-bonded Turntrans51.637.6-179-57.6178.9-178.6169.91.5113.3L290R288-L290 VanDerWaalsContact C-N 3.31Å; R288-L290 PolarHBondContact O-N 2.96Å
289G78.3Confident83.1Confident57 Ų5752.4 Ų52.459%0.58826%0.255SS*.THydrogen-bonded Turntrans80.51.5-177.500000115.4K287K287-G289 PolarHBondContact O-N 3.45Å
290L82.7Confident83.2Confident108 Ų10852 Ų5257%0.56526%0.257SS*.EExtended strand (participates in β ladder)trans-98.6130.2173.2-66.9172.3000111.1E286 K287 R288E286-L290 CarbonylContact C-O 3.5Å; E286-L290 VanDerWaalsContact CA-O 3.25Å; E286-L290 WeakPolarHBondContact CA-O 3.39Å; K287-L290 PolarHBondContact N-O 3.46Å; K287-L290 WeakPolarHBondContact O-CB 3.48Å; K287-L290 PolarHBondContact O-N 3.26Å; R288-L290 VanDerWaalsContact C-N 3.31Å; R288-L290 PolarHBondContact O-N 2.96Å
291P84.4Confident83.3Confident24 Ų2454.1 Ų54.116%0.15627%0.265CS..EExtended strand (participates in β ladder)trans-71.8140.3-179.727.3-34000112.9Y284 Y293Y284-P291 HydrophobicContact CE2-CB 3.75Å; P291-Y293 HydrophobicContact CB-CE1 3.88Å; P291-Y293 HydrophobicContact CB-CE2 4.16Å; P291-Y293 HydrophobicContact CG-CE1 4.06Å; P291-Y293 HydrophobicContact CG-CE2 3.75Å; P291-Y293 WeakPolarHBondContact CG-OH 3.42Å
292L86.7Confident83.3Confident5 Ų553.2 Ų53.23%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-103.1108.9171.7-64175.9000109.6R285 K287 K298 Q301R285-L292 HydrophobicContact CB-CD1 4.32Å; R285-L292 WeakPolarHBondContact O-CB 3.28Å; R285-L292 PolarHBondContact O-N 3.45Å; K287-L292 HydrophobicContact CB-CD1 4.31Å; K287-L292 HydrophobicContact CB-CG 4.48Å; L292-K298 HydrophobicContact CD1-CB 4.31Å; L292-K298 HydrophobicContact CD1-CD 4.13Å; L292-K298 HydrophobicContact CD1-CG 3.96Å; L292-K298 HydrophobicContact CD2-CB 4.36Å; L292-Q301 VanDerWaalsContact CD2-CD 3.45Å; L292-Q301 HydrophobicContact CD2-CG 4.37Å
293Y86.7Confident83.3Confident31 Ų3153.8 Ų53.812%0.12226%0.264CS..  trans-88.7-20.8-172.4-61.9-65.9000114.3Y216 W217 F220 R221 P291Y216-Y293 AromaticContact CD1-CE1 3.9Å; Y216-Y293 HydrophobicContact CD1-CE1 3.9Å; Y216-Y293 HydrophobicContact CD1-CE2 4.25Å; Y216-Y293 AromaticContact CD1-CZ 3.66Å; Y216-Y293 HydrophobicContact CE1-CD2 4.28Å; Y216-Y293 HydrophobicContact CE1-CE1 4.1Å; Y216-Y293 AromaticContact CE1-CE2 3.61Å; Y216-Y293 HydrophobicContact CE1-CE2 3.61Å; Y216-Y293 AromaticContact CE1-CZ 3.48Å; Y216-Y293 VanDerWaalsContact CE1-CZ 3.48Å; W217-Y293 HydrophobicContact CB-CD1 3.93Å; W217-Y293 HydrophobicContact CB-CE1 4.21Å; W217-Y293 AromaticContact CD1-CD1 3.52Å; W217-Y293 AromaticContact CG-CD1 3.75Å; W217-Y293 HydrophobicContact CG-CD1 3.75Å; W217-Y293 HydrophobicContact CG-CE1 4.46Å; W217-Y293 PolarHBondContact NE1-O 3.2Å; F220-Y293 VanDerWaalsContact CD1-CB 3.43Å; F220-Y293 HydrophobicContact CD1-CD2 4.48Å; F220-Y293 HydrophobicContact CD1-CG 4.18Å; F220-Y293 HydrophobicContact CD2-CD2 4.45Å; F220-Y293 HydrophobicContact CG-CD2 4.38Å; F220-Y293 HydrophobicContact CG-CG 4.32Å; R221-Y293 WeakPolarHBondContact CD-O 3.37Å; P291-Y293 HydrophobicContact CB-CE1 3.88Å; P291-Y293 HydrophobicContact CB-CE2 4.16Å; P291-Y293 HydrophobicContact CG-CE1 4.06Å; P291-Y293 HydrophobicContact CG-CE2 3.75Å; P291-Y293 WeakPolarHBondContact CG-OH 3.42Å
294S89.8Confident83Confident1 Ų156.4 Ų56.41%0.00728%0.283CS..SBendtrans-153.7168.8-179.676.90000110.9E224 C282 L296 N297 K298E224-S294 WeakPolarHBondContact OE1-CB 3.5Å; E224-S294 PolarHBondContact OE1-OG 3.25Å; E224-S294 WeakPolarHBondContact OE2-CB 3.4Å; E224-S294 PolarHBondContact OE2-OG 2.68Å; C282-S294 VanDerWaalsContact SG-CA 3.51Å; S294-L296 VanDerWaalsContact C-N 3.31Å; S294-L296 PolarHBondContact OG-N 3.42Å; S294-N297 WeakPolarHBondContact OG-CB 3.3Å; S294-N297 PolarHBondContact OG-N 3.23Å; S294-K298 WeakPolarHBondContact O-CB 3.43Å; S294-K298 PolarHBondContact O-N 3.16Å
295R87.5Confident82.5Confident35 Ų3557.7 Ų57.713%0.13229%0.291CS..Hα-helixtrans-66.1-35.9173-68.9-70.2-61.3-148.13.9111.7R277 I278 C282 K298 W299R277-R295 PolarHBondContact O-NE 2.83Å; R277-R295 VanDerWaalsContact O-NE 3.15Å; R277-R295 PolarHBondContact O-NH2 3.16Å; I278-R295 WeakPolarHBondContact O-CB 3.33Å; C282-R295 HydrophobicContact CB-CG 4.13Å; R295-K298 PolarHBondContact O-N 2.84Å; R295-W299 WeakPolarHBondContact O-CB 3.26Å; R295-W299 PolarHBondContact O-N 2.89Å
296L90.9Very high81.9Confident46 Ų4660 Ų6024%0.24131%0.31CS..Hα-helixtrans-69.5-44176.2178.863.6000111.2E224 F228 I278 S294 K298 W299 A300E224-L296 HydrophobicContact CG-CD2 4.11Å; F228-L296 HydrophobicContact CD2-CD2 3.83Å; F228-L296 HydrophobicContact CE2-CD2 4.22Å; I278-L296 HydrophobicContact CB-CB 4.49Å; I278-L296 HydrophobicContact CB-CD1 4.45Å; I278-L296 HydrophobicContact CD1-CD1 4.41Å; I278-L296 HydrophobicContact CG2-CB 4.42Å; I278-L296 HydrophobicContact CG2-CD1 3.82Å; S294-L296 VanDerWaalsContact C-N 3.31Å; S294-L296 PolarHBondContact OG-N 3.42Å; L296-K298 VanDerWaalsContact C-N 3.32Å; L296-K298 PolarHBondContact O-N 3Å; L296-W299 HydrophobicContact CD1-CE3 3.98Å; L296-W299 HydrophobicContact CD1-CZ3 4.45Å; L296-W299 PolarHBondContact O-N 3.18Å; L296-A300 WeakPolarHBondContact O-CB 3.28Å; L296-A300 PolarHBondContact O-N 3.22Å
297N90Very high81Confident28 Ų2857.8 Ų57.815%0.1530%0.302CS..Hα-helixtrans-59.3-44.1172.4-178.2-69.7000111F220 S294 A300 Q301F220-N297 HydrophobicContact CE1-CB 4.25Å; F220-N297 HydrophobicContact CZ-CB 4.18Å; F220-N297 WeakPolarHBondContact CZ-ND2 2.94Å; S294-N297 WeakPolarHBondContact OG-CB 3.3Å; S294-N297 PolarHBondContact OG-N 3.23Å; N297-A300 PolarHBondContact O-N 3.06Å; N297-Q301 WeakPolarHBondContact O-CG 3.38Å; N297-Q301 PolarHBondContact O-N 3.31Å; N297-Q301 PolarHBondContact OD1-NE2 3.44Å
298K87.6Confident80.4Confident25 Ų2560.3 Ų60.311%0.10932%0.316CS..Hα-helixtrans-58.2-53.2172.7-176.1176.2-174.5178.80111L292 S294 R295 L296 A300 Q301 Y302 E314L292-K298 HydrophobicContact CD1-CB 4.31Å; L292-K298 HydrophobicContact CD1-CD 4.13Å; L292-K298 HydrophobicContact CD1-CG 3.96Å; L292-K298 HydrophobicContact CD2-CB 4.36Å; S294-K298 WeakPolarHBondContact O-CB 3.43Å; S294-K298 PolarHBondContact O-N 3.16Å; R295-K298 PolarHBondContact O-N 2.84Å; L296-K298 VanDerWaalsContact C-N 3.32Å; L296-K298 PolarHBondContact O-N 3Å; K298-A300 VanDerWaalsContact C-N 3.3Å; K298-A300 PolarHBondContact O-N 3.48Å; K298-Q301 PolarHBondContact O-N 2.9Å; K298-Y302 HydrophobicContact CD-CE2 4.41Å; K298-Y302 HydrophobicContact CG-CD2 3.93Å; K298-Y302 HydrophobicContact CG-CE2 3.84Å; K298-Y302 VanDerWaalsContact O-CD2 3.24Å; K298-Y302 WeakPolarHBondContact O-CD2 3.24Å; K298-Y302 PolarHBondContact O-N 3.41Å; K298-E314 WeakPolarHBondContact CE-OE2 3.45Å; K298-E314 IonicContact NZ-OE2 3.47Å; K298-E314 PolarHBondContact NZ-OE2 2.84Å
299W88.1Confident79.6Confident78 Ų7855.9 Ų55.930%0.29531%0.308SS..Hα-helixtrans-55-46.1179.1171.887.6000111.9E274 I278 R295 L296 Q301 Y302 S303E274-W299 VanDerWaalsContact OE2-CE2 3.23Å; E274-W299 WeakPolarHBondContact OE2-CZ2 3.44Å; E274-W299 PolarHBondContact OE2-NE1 2.81Å; I278-W299 HydrophobicContact CG2-CB 3.95Å; I278-W299 HydrophobicContact CG2-CD2 4.41Å; I278-W299 HydrophobicContact CG2-CG 4.02Å; R295-W299 WeakPolarHBondContact O-CB 3.26Å; R295-W299 PolarHBondContact O-N 2.89Å; L296-W299 HydrophobicContact CD1-CE3 3.98Å; L296-W299 HydrophobicContact CD1-CZ3 4.45Å; L296-W299 PolarHBondContact O-N 3.18Å; W299-Q301 PolarHBondContact O-N 2.92Å; W299-Y302 PolarHBondContact O-N 3.17Å; W299-S303 WeakPolarHBondContact O-CB 3.07Å; W299-S303 PolarHBondContact O-N 3.3Å; W299-S303 PolarHBondContact O-OG 3.2Å
300A88.3Confident78.7Confident38 Ų3854.7 Ų54.731%0.31429%0.293SS..Hα-helixtrans-62.3-40.6179.700000112.8L296 N297 K298 Y302 S303 V304L296-A300 WeakPolarHBondContact O-CB 3.28Å; L296-A300 PolarHBondContact O-N 3.22Å; N297-A300 PolarHBondContact O-N 3.06Å; K298-A300 VanDerWaalsContact C-N 3.3Å; K298-A300 PolarHBondContact O-N 3.48Å; A300-Y302 PolarHBondContact O-N 3.17Å; A300-S303 WeakPolarHBondContact CA-OG 3.45Å; A300-S303 PolarHBondContact O-OG 2.82Å; A300-S303 VanDerWaalsContact O-OG 3.09Å; A300-V304 WeakPolarHBondContact O-CB 2.85Å; A300-V304 WeakPolarHBondContact O-CG2 3.35Å; A300-V304 PolarHBondContact O-N 3.35Å
301Q83.6Confident77.7Confident50 Ų5050 Ų5023%0.23427%0.268CS..Hα-helixtrans-67.9-33.2177.9-72.8-169.818.800113.2L292 N297 K298 W299L292-Q301 VanDerWaalsContact CD2-CD 3.45Å; L292-Q301 HydrophobicContact CD2-CG 4.37Å; N297-Q301 WeakPolarHBondContact O-CG 3.38Å; N297-Q301 PolarHBondContact O-N 3.31Å; N297-Q301 PolarHBondContact OD1-NE2 3.44Å; K298-Q301 PolarHBondContact O-N 2.9Å; W299-Q301 PolarHBondContact O-N 2.92Å
302Y78.8Confident76.6Confident7 Ų752.3 Ų52.33%0.02728%0.277CS..Hα-helixtrans-83.6-31.5179.2-78-104.2000112.6K287 K298 W299 A300 E305 N307 M311 E314K287-Y302 HydrophobicContact CD-CD2 4.48Å; K287-Y302 HydrophobicContact CD-CE2 3.73Å; K298-Y302 HydrophobicContact CD-CE2 4.41Å; K298-Y302 HydrophobicContact CG-CD2 3.93Å; K298-Y302 HydrophobicContact CG-CE2 3.84Å; K298-Y302 VanDerWaalsContact O-CD2 3.24Å; K298-Y302 WeakPolarHBondContact O-CD2 3.24Å; K298-Y302 PolarHBondContact O-N 3.41Å; W299-Y302 PolarHBondContact O-N 3.17Å; A300-Y302 PolarHBondContact O-N 3.17Å; Y302-E305 PolarHBondContact O-N 3.36Å; Y302-N307 PolarHBondContact O-N 3.38Å; Y302-N307 VanDerWaalsContact O-N 3.16Å; Y302-M311 HydrophobicContact CD1-CB 3.75Å; Y302-M311 HydrophobicContact CD1-CG 4.4Å; Y302-M311 HydrophobicContact CG-CB 3.97Å; Y302-M311 HydrophobicContact CG-CG 4.25Å; Y302-E314 PolarHBondContact OH-OE1 3.1Å; Y302-E314 PolarHBondContact OH-OE2 3.32Å
303S77.2Confident75.3Confident35 Ų3558.7 Ų58.725%0.24530%0.304CS..Hα-helixtrans-68.4-40.6176.3640000111.9W299 A300 E305 N306W299-S303 WeakPolarHBondContact O-CB 3.07Å; W299-S303 PolarHBondContact O-N 3.3Å; W299-S303 PolarHBondContact O-OG 3.2Å; A300-S303 WeakPolarHBondContact CA-OG 3.45Å; A300-S303 PolarHBondContact O-OG 2.82Å; A300-S303 VanDerWaalsContact O-OG 3.09Å; S303-E305 PolarHBondContact O-N 2.91Å; S303-N306 PolarHBondContact O-N 3.38Å; S303-N306 VanDerWaalsContact O-N 3.14Å
304V71.8Confident74Confident124 Ų12460.3 Ų60.375%0.75231%0.313SS*.Hα-helixtrans-64-29.6176.91720000112.4A300 N306A300-V304 WeakPolarHBondContact O-CB 2.85Å; A300-V304 WeakPolarHBondContact O-CG2 3.35Å; A300-V304 PolarHBondContact O-N 3.35Å; V304-N306 VanDerWaalsContact C-N 3.31Å; V304-N306 PolarHBondContact O-N 3.39Å
305E67.5Low72.2Confident75 Ų7561.8 Ų61.835%0.3532%0.32SS..THydrogen-bonded Turntrans-85.65.4177.6-72.8178.7-157.600114K287 Y302 S303 N307K287-E305 IonicContact NZ-OE1 2.94Å; K287-E305 PolarHBondContact NZ-OE1 2.93Å; K287-E305 IonicContact NZ-OE2 2.66Å; K287-E305 PolarHBondContact NZ-OE2 3.27Å; Y302-E305 PolarHBondContact O-N 3.36Å; S303-E305 PolarHBondContact O-N 2.91Å; E305-N307 HydrophobicContact CB-CB 4.13Å; E305-N307 PolarHBondContact O-N 2.81Å; E305-N307 VanDerWaalsContact O-N 3.09Å
306N63.9Low70.1Confident146 Ų14666 Ų6678%0.78135%0.345SS*.THydrogen-bonded Turntrans51.627.4-171.6-78.1-22.7000113.7S303 V304 I308S303-N306 PolarHBondContact O-N 3.38Å; S303-N306 VanDerWaalsContact O-N 3.14Å; V304-N306 VanDerWaalsContact C-N 3.31Å; V304-N306 PolarHBondContact O-N 3.39Å; N306-I308 PolarHBondContact O-N 2.8Å
307N64Low67.5Low65 Ų6568.3 Ų68.335%0.34836%0.361SS..  trans-105.145.7-172.3-105.5-29.9000111.1Y302 E305 D309 A310 M311Y302-N307 PolarHBondContact O-N 3.38Å; Y302-N307 VanDerWaalsContact O-N 3.16Å; E305-N307 HydrophobicContact CB-CB 4.13Å; E305-N307 PolarHBondContact O-N 2.81Å; E305-N307 VanDerWaalsContact O-N 3.09Å; N307-D309 VanDerWaalsContact C-N 3.3Å; N307-D309 PolarHBondContact O-N 3.5Å; N307-A310 HydrophobicContact CB-CB 4Å; N307-A310 PolarHBondContact O-N 3.24Å; N307-A310 VanDerWaalsContact O-N 3.14Å; N307-M311 PolarHBondContact O-N 3.25Å
308I63.7Low65.4Low77 Ų7771.1 Ų71.140%0.39538%0.376SS..Hα-helixtrans-62.4-40.1-178.4-63.2173.5000110.4N306 A310 M311 E312N306-I308 PolarHBondContact O-N 2.8Å; I308-A310 VanDerWaalsContact C-N 3.3Å; I308-A310 PolarHBondContact O-N 2.91Å; I308-M311 WeakPolarHBondContact O-CB 3.16Å; I308-M311 PolarHBondContact O-N 3Å; I308-E312 WeakPolarHBondContact O-CB 3.35Å; I308-E312 PolarHBondContact O-N 2.91Å
309D59.4Low62.9Low119 Ų11978.7 Ų78.764%0.63643%0.432SS*.Hα-helixtrans-66-30.9175.9-67.6-12.8000112.8N307 K313N307-D309 VanDerWaalsContact C-N 3.3Å; N307-D309 PolarHBondContact O-N 3.5Å; D309-K313 VanDerWaalsContact O-CB 3.24Å; D309-K313 WeakPolarHBondContact O-CB 3.43Å; D309-K313 WeakPolarHBondContact O-CG 3.45Å; D309-K313 PolarHBondContact O-N 3.13Å
310A61.2Low61.7Low32 Ų3278.8 Ų78.826%0.26444%0.439SS..Hα-helixtrans-74.8-34174.700000111.5N307 I308 E314N307-A310 HydrophobicContact CB-CB 4Å; N307-A310 PolarHBondContact O-N 3.24Å; N307-A310 VanDerWaalsContact O-N 3.14Å; I308-A310 VanDerWaalsContact C-N 3.3Å; I308-A310 PolarHBondContact O-N 2.91Å; A310-E314 WeakPolarHBondContact O-CB 3.32Å; A310-E314 PolarHBondContact O-N 2.93Å
311M61.3Low60.3Low8 Ų880.9 Ų80.94%0.03945%0.445CS..Hα-helixtrans-66.8-41.5171.1-171.9-179.365.700111.2R277 Y302 N307 I308 M315R277-M311 HydrophobicContact CG-CE 4.47Å; Y302-M311 HydrophobicContact CD1-CB 3.75Å; Y302-M311 HydrophobicContact CD1-CG 4.4Å; Y302-M311 HydrophobicContact CG-CB 3.97Å; Y302-M311 HydrophobicContact CG-CG 4.25Å; N307-M311 PolarHBondContact O-N 3.25Å; I308-M311 WeakPolarHBondContact O-CB 3.16Å; I308-M311 PolarHBondContact O-N 3Å; M311-M315 HydrophobicContact CG-SD 4.29Å; M311-M315 VanDerWaalsContact O-CB 3.24Å; M311-M315 WeakPolarHBondContact O-CB 3.33Å; M311-M315 WeakPolarHBondContact O-CG 3.37Å; M311-M315 PolarHBondContact O-N 2.78Å
312E61.3Low59Low73 Ų7382.6 Ų82.634%0.34146%0.457SS..Hα-helixtrans-71.6-40179.2-153147.6-120.300111.3R277 I308 M315 D316R277-E312 IonicContact CZ-OE1 3.25Å; R277-E312 IonicContact NH2-OE1 3.83Å; R277-E312 PolarHBondContact NH2-OE1 3.4Å; R277-E312 IonicContact NH2-OE2 3.89Å; I308-E312 WeakPolarHBondContact O-CB 3.35Å; I308-E312 PolarHBondContact O-N 2.91Å; E312-M315 CarbonylContact O-C 3.55Å; E312-M315 WeakPolarHBondContact O-CA 3.39Å; E312-M315 VanDerWaalsContact O-CB 3.28Å; E312-M315 WeakPolarHBondContact O-CB 3.1Å; E312-M315 PolarHBondContact O-N 3.46Å; E312-D316 WeakPolarHBondContact O-CB 3.35Å; E312-D316 PolarHBondContact O-N 3.09Å
313K58.6Low57.8Low140 Ų14087.1 Ų87.161%0.60948%0.483SS*.Hα-helixtrans-63-48.2168.5-80.1176.8178.5173.30112.4D309 M315 D316 T317D309-K313 VanDerWaalsContact O-CB 3.24Å; D309-K313 WeakPolarHBondContact O-CB 3.43Å; D309-K313 WeakPolarHBondContact O-CG 3.45Å; D309-K313 PolarHBondContact O-N 3.13Å; K313-M315 PolarHBondContact O-N 2.9Å; K313-M315 VanDerWaalsContact O-N 3.09Å; K313-D316 PolarHBondContact O-N 3.01Å; K313-T317 HydrophobicContact CB-CG2 4.21Å; K313-T317 HydrophobicContact CG-CG2 4.38Å; K313-T317 WeakPolarHBondContact O-CB 3.42Å; K313-T317 PolarHBondContact O-N 3.24Å; K313-T317 PolarHBondContact O-OG1 3.21Å
314E59.8Low56.6Low65 Ų6590.3 Ų90.330%0.30450%0.497SS..Hα-helixtrans-60.9-20.5169.7-85.8-169.9-158.400113K298 Y302 A310K298-E314 WeakPolarHBondContact CE-OE2 3.45Å; K298-E314 IonicContact NZ-OE2 3.47Å; K298-E314 PolarHBondContact NZ-OE2 2.84Å; Y302-E314 PolarHBondContact OH-OE1 3.1Å; Y302-E314 PolarHBondContact OH-OE2 3.32Å; A310-E314 WeakPolarHBondContact O-CB 3.32Å; A310-E314 PolarHBondContact O-N 2.93Å
315M52.7Low55.6Low31 Ų3188.1 Ų88.115%0.15348%0.48CS..Hα-helixtrans-85.2-17.3170.9-77.8177.54200114K93 R277 M311 E312 K313K93-M315 WeakPolarHBondContact CE-O 3.36Å; K93-M315 PolarHBondContact NZ-O 3.48Å; R277-M315 HydrophobicContact CG-CE 4.26Å; R277-M315 HydrophobicContact CG-SD 4.42Å; M311-M315 HydrophobicContact CG-SD 4.29Å; M311-M315 VanDerWaalsContact O-CB 3.24Å; M311-M315 WeakPolarHBondContact O-CB 3.33Å; M311-M315 WeakPolarHBondContact O-CG 3.37Å; M311-M315 PolarHBondContact O-N 2.78Å; E312-M315 CarbonylContact O-C 3.55Å; E312-M315 WeakPolarHBondContact O-CA 3.39Å; E312-M315 VanDerWaalsContact O-CB 3.28Å; E312-M315 WeakPolarHBondContact O-CB 3.1Å; E312-M315 PolarHBondContact O-N 3.46Å; K313-M315 PolarHBondContact O-N 2.9Å; K313-M315 VanDerWaalsContact O-N 3.09Å
316D42.8Very low54.7Low125 Ų12589 Ų8967%0.66849%0.49SS*.Hα-helixtrans-116.4-28.1-176.1-73-20.1000113.4E312 K313 L318E312-D316 WeakPolarHBondContact O-CB 3.35Å; E312-D316 PolarHBondContact O-N 3.09Å; K313-D316 PolarHBondContact O-N 3.01Å; D316-L318 PolarHBondContact O-N 3.3Å
317T37.2Very low54Low93 Ų9384.6 Ų84.657%0.57147%0.467SS*.SBendtrans-9623.4-169.265.10000114.7K313K313-T317 HydrophobicContact CB-CG2 4.21Å; K313-T317 HydrophobicContact CG-CG2 4.38Å; K313-T317 WeakPolarHBondContact O-CB 3.42Å; K313-T317 PolarHBondContact O-N 3.24Å; K313-T317 PolarHBondContact O-OG1 3.21Å
318L45.5Very low53.2Low88 Ų8886.3 Ų86.346%0.46148%0.477SS..  trans-125.261.2179.8-70.5169.7000111.1D316D316-L318 PolarHBondContact O-N 3.3Å
319S34.7Very low52.2Low184 Ų18487.1 Ų87.1100%1.28749%0.485SS*.  trans-73.20149.860.40000110.4

Retrieved 319 of 319 residues in 2152.5 ms (Link to these results)