A0A077ZAJ9_TRITR Loading...

HLH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAJ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 170 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.8Very low63Low185 Ų18582.5 Ų82.591%0.91143%0.43SS*.  0133.40-63.3-176.170.200107L3M1-L3 PolarHBondContact O-N 3.14Å
2C55.6Low63.1Low59 Ų5982.8 Ų82.840%0.39943%0.432SS..  trans-60.3139.4-179.7-114.70000108.5D4 D5 L6C2-D4 HydrophobicContact CB-CB 4.4Å; C2-D4 PolarHBondContact O-N 3.28Å; C2-D5 PolarHBondContact O-N 3.48Å; C2-L6 PolarHBondContact O-N 3.43Å; C2-L6 VanDerWaalsContact O-N 3.09Å
3L63.4Low63.3Low134 Ų13481.6 Ų81.670%0.70244%0.435SS*.Hα-helixtrans-52.4-28.4173.9-71.2164.9000111.3M1 L6 I7M1-L3 PolarHBondContact O-N 3.14Å; L3-L6 PolarHBondContact O-N 3.37Å; L3-I7 WeakPolarHBondContact O-CD1 3.25Å; L3-I7 VanDerWaalsContact O-CG1 3.27Å; L3-I7 WeakPolarHBondContact O-CG1 3.42Å; L3-I7 PolarHBondContact O-N 3.09Å
4D65.7Low63.3Low40 Ų4083 Ų8321%0.21444%0.439CS..Hα-helixtrans-63.1-47.4172.3-67.4-30.1000113.2C2 L6 I7 I8 R93 N97C2-D4 HydrophobicContact CB-CB 4.4Å; C2-D4 PolarHBondContact O-N 3.28Å; D4-L6 VanDerWaalsContact C-N 3.28Å; D4-L6 PolarHBondContact O-N 3.05Å; D4-I7 PolarHBondContact O-N 2.98Å; D4-I8 WeakPolarHBondContact O-CB 3.48Å; D4-I8 WeakPolarHBondContact O-CD1 3.34Å; D4-I8 WeakPolarHBondContact O-CG1 3.39Å; D4-I8 PolarHBondContact O-N 3.29Å; D4-R93 IonicContact OD1-CZ 2.83Å; D4-R93 IonicContact OD1-NE 3.49Å; D4-R93 PolarHBondContact OD1-NE 3.39Å; D4-R93 IonicContact OD1-NH2 2.85Å; D4-R93 PolarHBondContact OD1-NH2 2.75Å; D4-N97 PolarHBondContact OD2-ND2 3.18Å
5D64.7Low63.1Low79 Ų7980.9 Ų80.942%0.42243%0.426SS..Hα-helixtrans-66.1-35.3177.3-59.5-36.2000110.8C2 I8 N9C2-D5 PolarHBondContact O-N 3.48Å; D5-I8 PolarHBondContact O-N 3.37Å; D5-N9 WeakPolarHBondContact O-CB 3.5Å; D5-N9 VanDerWaalsContact O-CG 3.24Å; D5-N9 PolarHBondContact O-N 3.31Å; D5-N9 PolarHBondContact O-ND2 3.3Å
6L64Low62.9Low89 Ų8982.3 Ų82.347%0.46643%0.434SS..Hα-helixtrans-65.6-45.4177.7-16567.3000110.7C2 L3 D4 N9 E10C2-L6 PolarHBondContact O-N 3.43Å; C2-L6 VanDerWaalsContact O-N 3.09Å; L3-L6 PolarHBondContact O-N 3.37Å; D4-L6 VanDerWaalsContact C-N 3.28Å; D4-L6 PolarHBondContact O-N 3.05Å; L6-N9 PolarHBondContact O-N 3.25Å; L6-E10 WeakPolarHBondContact O-CB 3.41Å; L6-E10 PolarHBondContact O-N 3.46Å
7I67.7Low62.6Low58 Ų5882.5 Ų82.530%0.29744%0.435SS..Hα-helixtrans-69-36.2178.1-66.5161.5000111.5L3 D4 E10 I11L3-I7 WeakPolarHBondContact O-CD1 3.25Å; L3-I7 VanDerWaalsContact O-CG1 3.27Å; L3-I7 WeakPolarHBondContact O-CG1 3.42Å; L3-I7 PolarHBondContact O-N 3.09Å; D4-I7 PolarHBondContact O-N 2.98Å; I7-E10 PolarHBondContact O-N 3.22Å; I7-I11 HydrophobicContact CG2-CD1 3.65Å; I7-I11 HydrophobicContact CG2-CG1 4.2Å; I7-I11 WeakPolarHBondContact O-CB 3.29Å; I7-I11 WeakPolarHBondContact O-CG1 3.27Å; I7-I11 PolarHBondContact O-N 3.17Å
8I64.7Low62.1Low38 Ų3884.6 Ų84.620%0.19545%0.446CS..Hα-helixtrans-63.2-47.1175.3-69.4163000110.5D4 D5 I11 L12 I90D4-I8 WeakPolarHBondContact O-CB 3.48Å; D4-I8 WeakPolarHBondContact O-CD1 3.34Å; D4-I8 WeakPolarHBondContact O-CG1 3.39Å; D4-I8 PolarHBondContact O-N 3.29Å; D5-I8 PolarHBondContact O-N 3.37Å; I8-I11 PolarHBondContact O-N 2.99Å; I8-L12 HydrophobicContact CG2-CD1 3.98Å; I8-L12 WeakPolarHBondContact O-CB 3.46Å; I8-L12 VanDerWaalsContact O-CG 3.3Å; I8-L12 WeakPolarHBondContact O-CG 3.34Å; I8-L12 PolarHBondContact O-N 2.89Å; I8-I90 HydrophobicContact CG1-CG2 4.37Å; I8-I90 HydrophobicContact CG2-CG2 4.47Å
9N67.9Low61.6Low82 Ų8284.1 Ų84.144%0.43944%0.441SS..Hα-helixtrans-66.6-37.7177-70.6-41.3000112D5 L6 L12 S13D5-N9 WeakPolarHBondContact O-CB 3.5Å; D5-N9 VanDerWaalsContact O-CG 3.24Å; D5-N9 PolarHBondContact O-N 3.31Å; D5-N9 PolarHBondContact O-ND2 3.3Å; L6-N9 PolarHBondContact O-N 3.25Å; N9-L12 PolarHBondContact O-N 2.99Å; N9-S13 WeakPolarHBondContact O-CB 3.49Å; N9-S13 PolarHBondContact O-N 3.24Å
10E70Confident61.3Low109 Ų10987.7 Ų87.751%0.50945%0.452SS..Hα-helixtrans-66-41.1177.9-170.6167.2-171.400111.4L6 I7 S13 M14L6-E10 WeakPolarHBondContact O-CB 3.41Å; L6-E10 PolarHBondContact O-N 3.46Å; I7-E10 PolarHBondContact O-N 3.22Å; E10-S13 PolarHBondContact O-N 3.5Å; E10-M14 HydrophobicContact CG-CE 4.22Å; E10-M14 WeakPolarHBondContact O-CB 3.42Å; E10-M14 WeakPolarHBondContact O-CE 3.42Å; E10-M14 VanDerWaalsContact O-CG 3.23Å; E10-M14 WeakPolarHBondContact O-CG 3.36Å; E10-M14 PolarHBondContact O-N 3.36Å
11I63.1Low60.4Low35 Ų3592.4 Ų92.418%0.17947%0.47CS..Hα-helixtrans-65.6-46.1174.4-67.4167.8000111.2I7 I8 S13 M14 E15 I86 M89I7-I11 HydrophobicContact CG2-CD1 3.65Å; I7-I11 HydrophobicContact CG2-CG1 4.2Å; I7-I11 WeakPolarHBondContact O-CB 3.29Å; I7-I11 WeakPolarHBondContact O-CG1 3.27Å; I7-I11 PolarHBondContact O-N 3.17Å; I8-I11 PolarHBondContact O-N 2.99Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 2.89Å; I11-M14 HydrophobicContact CG1-CE 4.2Å; I11-M14 PolarHBondContact O-N 3Å; I11-E15 PolarHBondContact O-N 3.2Å; I11-I86 HydrophobicContact CG2-CG2 3.84Å; I11-M89 HydrophobicContact CD1-CE 4.48Å
12L64Low60.3Low85 Ų8591.3 Ų91.345%0.44546%0.455SS..Hα-helixtrans-62.6-40.7177.2-71.5169000111.8I8 N9 E15 D16I8-L12 HydrophobicContact CG2-CD1 3.98Å; I8-L12 WeakPolarHBondContact O-CB 3.46Å; I8-L12 VanDerWaalsContact O-CG 3.3Å; I8-L12 WeakPolarHBondContact O-CG 3.34Å; I8-L12 PolarHBondContact O-N 2.89Å; N9-L12 PolarHBondContact O-N 2.99Å; L12-E15 PolarHBondContact O-N 2.88Å; L12-D16 PolarHBondContact O-N 3.36Å
13S66.1Low59.5Low68 Ų6893.8 Ų93.848%0.47647%0.47SS..Hα-helixtrans-67.9-37.8178.8-171.60000112.3N9 E10 I11 E15 D16 D17N9-S13 WeakPolarHBondContact O-CB 3.49Å; N9-S13 PolarHBondContact O-N 3.24Å; E10-S13 PolarHBondContact O-N 3.5Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 2.89Å; S13-E15 VanDerWaalsContact C-N 3.27Å; S13-E15 PolarHBondContact O-N 2.94Å; S13-D16 PolarHBondContact O-N 3.47Å; S13-D17 PolarHBondContact O-N 3.29Å
14M62.4Low58.2Low101 Ų10193 Ų9350%0.49848%0.476SS..Hα-helixtrans-66.7-27.9176.4-74.9-174.4-63.400112.5E10 I11 I18E10-M14 HydrophobicContact CG-CE 4.22Å; E10-M14 WeakPolarHBondContact O-CB 3.42Å; E10-M14 WeakPolarHBondContact O-CE 3.42Å; E10-M14 VanDerWaalsContact O-CG 3.23Å; E10-M14 WeakPolarHBondContact O-CG 3.36Å; E10-M14 PolarHBondContact O-N 3.36Å; I11-M14 HydrophobicContact CG1-CE 4.2Å; I11-M14 PolarHBondContact O-N 3Å; M14-I18 WeakPolarHBondContact O-CG1 3.49Å; M14-I18 PolarHBondContact O-N 2.87Å
15E60.4Low57Low52 Ų5299.8 Ų99.824%0.24351%0.506CS..Hα-helixtrans-76.4-34.3177.2-72.7-172.3128.800113.3I11 L12 S13 D17 I18 Q19 I86I11-E15 PolarHBondContact O-N 3.2Å; L12-E15 PolarHBondContact O-N 2.88Å; S13-E15 VanDerWaalsContact C-N 3.27Å; S13-E15 PolarHBondContact O-N 2.94Å; E15-D17 VanDerWaalsContact C-N 3.28Å; E15-D17 PolarHBondContact O-N 3.5Å; E15-I18 WeakPolarHBondContact O-CB 3.31Å; E15-I18 PolarHBondContact O-N 3.4Å; E15-I18 VanDerWaalsContact O-N 3.17Å; E15-Q19 PolarHBondContact O-N 3.37Å; E15-Q19 VanDerWaalsContact O-N 3.12Å; E15-I86 WeakPolarHBondContact OE1-CD1 3.27Å
16D60.8Low55.3Low102 Ų102104.5 Ų104.555%0.54553%0.526SS..Hα-helixtrans-63-35.6174.3-91.7-14.7000111.9L12 S13 I18 Q19 K20L12-D16 PolarHBondContact O-N 3.36Å; S13-D16 PolarHBondContact O-N 3.47Å; D16-I18 VanDerWaalsContact C-N 3.31Å; D16-I18 PolarHBondContact O-N 3.07Å; D16-Q19 PolarHBondContact O-N 2.88Å; D16-Q19 VanDerWaalsContact O-N 3.16Å; D16-K20 PolarHBondContact O-N 3.49Å
17D56.7Low53.8Low86 Ų86106.2 Ų106.246%0.4655%0.546SS..Hα-helixtrans-71.2-27176.1-71.4-27.6000112.7S13 E15 K20 K21S13-D17 PolarHBondContact O-N 3.29Å; E15-D17 VanDerWaalsContact C-N 3.28Å; E15-D17 PolarHBondContact O-N 3.5Å; D17-K20 PolarHBondContact O-N 2.89Å; D17-K20 IonicContact OD1-NZ 3Å; D17-K20 PolarHBondContact OD1-NZ 3.46Å; D17-K21 PolarHBondContact O-N 2.8Å
18I54.9Low51.8Low121 Ų121107 Ų10762%0.62157%0.568SS**Hα-helixtrans-71.5-32.6170.3-64.4169.5000110.7M14 E15 D16M14-I18 WeakPolarHBondContact O-CG1 3.49Å; M14-I18 PolarHBondContact O-N 2.87Å; E15-I18 WeakPolarHBondContact O-CB 3.31Å; E15-I18 PolarHBondContact O-N 3.4Å; E15-I18 VanDerWaalsContact O-N 3.17Å; D16-I18 VanDerWaalsContact C-N 3.31Å; D16-I18 PolarHBondContact O-N 3.07Å
19Q52.5Low50.3Low75 Ų75110.8 Ų110.835%0.3560%0.598SS.*Hα-helixtrans-71.6-33.1173.4-60.1-59.5-43.100112.7E15 D16 K21 R22E15-Q19 PolarHBondContact O-N 3.37Å; E15-Q19 VanDerWaalsContact O-N 3.12Å; D16-Q19 PolarHBondContact O-N 2.88Å; D16-Q19 VanDerWaalsContact O-N 3.16Å; Q19-K21 VanDerWaalsContact C-N 3.3Å; Q19-K21 PolarHBondContact O-N 2.93Å; Q19-R22 PolarHBondContact O-N 2.83Å
20K54.9Low48.5Very low156 Ų156116.4 Ų116.468%0.67862%0.621SS**Hα-helixtrans-70.7-19.2178.1-74.1175.6-168.8156.40114.3D16 D17 R22D16-K20 PolarHBondContact O-N 3.49Å; D17-K20 PolarHBondContact O-N 2.89Å; D17-K20 IonicContact OD1-NZ 3Å; D17-K20 PolarHBondContact OD1-NZ 3.46Å; K20-R22 PolarHBondContact O-N 3.01Å
21K42.1Very low46.7Very low187 Ų187116.4 Ų116.481%0.81363%0.634SS**THydrogen-bonded Turntrans-80.918.9173.8-73.1-167.2-179-176.80114.2D17 Q19 P23D17-K21 PolarHBondContact O-N 2.8Å; Q19-K21 VanDerWaalsContact C-N 3.3Å; Q19-K21 PolarHBondContact O-N 2.93Å; K21-P23 WeakPolarHBondContact O-CD 3.35Å
22R45Very low45.1Very low162 Ų162121 Ų12161%0.61167%0.667SS**SBendtrans-74.7120159.3-81.2-166.9173.3-157.8-1.6108.7Q19 K20 S24Q19-R22 PolarHBondContact O-N 2.83Å; K20-R22 PolarHBondContact O-N 3.01Å; R22-S24 PolarHBondContact O-N 3.02Å; R22-S24 VanDerWaalsContact O-N 3.15Å
23P39.4Very low44Very low110 Ų110122.3 Ų122.371%0.71468%0.683SS**  trans-61.8121.1160.725.7-29.1000107.3K21 Q25K21-P23 WeakPolarHBondContact O-CD 3.35Å; P23-Q25 PolarHBondContact O-N 3.31Å
24S35.3Very low42.6Very low117 Ų117122.1 Ų122.182%0.81869%0.693SS**  trans-60.484.8166.5260000109.1R22 Q26R22-S24 PolarHBondContact O-N 3.02Å; R22-S24 VanDerWaalsContact O-N 3.15Å; S24-Q26 VanDerWaalsContact C-N 3.33Å; S24-Q26 PolarHBondContact O-N 3.14Å; S24-Q26 VanDerWaalsContact O-N 3.1Å
25Q40.1Very low41.6Very low183 Ų183123.1 Ų123.186%0.85570%0.7SS**  trans-74.795.7159.5-77.8-174.2-8.600107.6P23P23-Q25 PolarHBondContact O-N 3.31Å
26Q29.9Very low40.9Very low179 Ų179126.5 Ų126.584%0.83672%0.719SS**  trans-54137.6157.3-74.6172.4-26.100109.8S24S24-Q26 VanDerWaalsContact C-N 3.33Å; S24-Q26 PolarHBondContact O-N 3.14Å; S24-Q26 VanDerWaalsContact O-N 3.1Å
27S31Very low40.3Very low125 Ų125129.5 Ų129.587%0.87473%0.73SS**  trans142.293.5157.7-65.40000106.1
28G27.3Very low39.9Very low74 Ų74130.1 Ų130.176%0.76374%0.737SS**  87.774.267.200000109.2
29S32.3Very low39.2Very low118 Ų118130.2 Ų130.283%0.82574%0.738SS**  trans-165.999.2155.6-80.10000108.6S31S29-S31 PolarHBondContact O-N 3.39Å
30Q30.2Very low39.2Very low199 Ų199133.3 Ų133.393%0.9376%0.756SS**  trans-54.1117.2156.3-81.7169.7-43.200107.7
31S31.9Very low39Very low110 Ų110129.9 Ų129.977%0.76976%0.757SS**  trans-145.598.2154.1-159.40000108S29 S33S29-S31 PolarHBondContact O-N 3.39Å; S31-S33 PolarHBondContact O-N 2.98Å
32C30Very low39.1Very low130 Ų130128.7 Ų128.788%0.87875%0.754SS**  trans-61.2115.3167.2-56.50000107.8
33S40.4Very low38.7Very low113 Ų113124.8 Ų124.879%0.7976%0.764SS**  trans-159.2111.1158.2-170.50000111S31S31-S33 PolarHBondContact O-N 2.98Å
34G37.7Very low38.7Very low65 Ų65130.2 Ų130.267%0.6777%0.77SS**  trans31.5119.8147.400000119.8L36G34-L36 PolarHBondContact O-N 3.08Å; G34-L36 VanDerWaalsContact O-N 3.11Å
35N41.8Very low38.8Very low122 Ų122131.2 Ų131.265%0.65277%0.771SS**  trans-39.2113.4163.2-75.3-0.5000112E37 T38N35-E37 HydrophobicContact CB-CB 4.48Å; N35-E37 PolarHBondContact O-N 2.86Å; N35-T38 PolarHBondContact O-N 3.43Å; N35-T38 PolarHBondContact O-OG1 3.48Å
36L45.6Very low38.8Very low123 Ų123128 Ų12864%0.64477%0.766SS**G310 helixtrans-52.6-21.2170.4-176.263.2000112.9G34 T38 L39 L40G34-L36 PolarHBondContact O-N 3.08Å; G34-L36 VanDerWaalsContact O-N 3.11Å; L36-T38 PolarHBondContact O-N 3.16Å; L36-L39 HydrophobicContact CD1-CD1 4.41Å; L36-L39 PolarHBondContact O-N 3.42Å; L36-L40 PolarHBondContact O-N 3.26Å
37E47.7Very low39Very low164 Ų164128 Ų12877%0.76677%0.768SS**G310 helixtrans-60.6-25.1173.7-110-179.3153.100114N35N35-E37 HydrophobicContact CB-CB 4.48Å; N35-E37 PolarHBondContact O-N 2.86Å
38T47.1Very low39.7Very low100 Ų100128 Ų12861%0.61377%0.766SS**G310 helixtrans-83.3-23.4175.751.50000113.7N35 L36N35-T38 PolarHBondContact O-N 3.43Å; N35-T38 PolarHBondContact O-OG1 3.48Å; L36-T38 PolarHBondContact O-N 3.16Å
39L41.9Very low40.2Very low123 Ų123132.8 Ų132.864%0.64477%0.773SS**THydrogen-bonded Turntrans-79.8-26.6179.9-69172.6000112.9L36 A41 E42L36-L39 HydrophobicContact CD1-CD1 4.41Å; L36-L39 PolarHBondContact O-N 3.42Å; L39-A41 VanDerWaalsContact C-N 3.25Å; L39-A41 PolarHBondContact O-N 2.9Å; L39-E42 PolarHBondContact O-N 3.26Å
40L51Low40.6Very low140 Ų140137.1 Ų137.173%0.73378%0.777SS**G310 helixtrans-72.5-18.1176.6-67.5176.3000113.2L36 E42L36-L40 PolarHBondContact O-N 3.26Å; L40-E42 VanDerWaalsContact C-N 3.26Å; L40-E42 PolarHBondContact O-N 3.48Å
41A51.1Low41.1Very low83 Ų83134.4 Ų134.469%0.68677%0.773SS**G310 helixtrans-71.9-19.1177.100000113.3L39L39-A41 VanDerWaalsContact C-N 3.25Å; L39-A41 PolarHBondContact O-N 2.9Å
42E44.7Very low41.6Very low163 Ų163134.9 Ų134.976%0.76278%0.777SS**G310 helixtrans-124.749.9-176-73.6-85.4158.400111.1L39 L40 R44L39-E42 PolarHBondContact O-N 3.26Å; L40-E42 VanDerWaalsContact C-N 3.26Å; L40-E42 PolarHBondContact O-N 3.48Å; E42-R44 WeakPolarHBondContact O-CB 3.47Å; E42-R44 PolarHBondContact O-N 3.03Å
43G36.2Very low42.5Very low80 Ų80134 Ų13483%0.82577%0.772SS**THydrogen-bonded Turntrans43.921.6149.100000120.9
44R39Very low42.5Very low223 Ų223134.4 Ų134.484%0.84278%0.775SS**  trans-121.4104.4-171.8-162.8171.3-169.5152.81.9111.4E42 P46E42-R44 WeakPolarHBondContact O-CB 3.47Å; E42-R44 PolarHBondContact O-N 3.03Å; R44-P46 WeakPolarHBondContact O-CD 3.46Å
45V38.4Very low42.8Very low138 Ų138135.9 Ų135.984%0.83678%0.781SS**  trans-84.4117.9172.3-157.30000108.5
46P38.7Very low42.9Very low115 Ų115136.2 Ų136.275%0.74779%0.789SS**  trans-88.4114172.50.918.9000109.6R44R44-P46 WeakPolarHBondContact O-CD 3.46Å
47M35.5Very low43Very low179 Ų179135.9 Ų135.988%0.88280%0.797SS**PPolyproline II helixtrans-70.1130.9163-91.5-157-88.200109.7
48P45.2Very low43.1Very low126 Ų126131.9 Ų131.982%0.81879%0.788SS**PPolyproline II helixtrans-81.3128.3179.129.8-30.4000111.8
49L37.4Very low43.5Very low174 Ų174131 Ų13191%0.91179%0.785SS**PPolyproline II helixtrans-71.7128.9172.8-64.3168000109.8
50K42Very low44.2Very low210 Ų210132.9 Ų132.991%0.91379%0.791SS**  trans-106.4117.8176.5-139.5174.9-170.7-172.70109.9
51V39.1Very low44.6Very low141 Ų141133.7 Ų133.786%0.85579%0.789SS**  trans-98.5144.2169.6-74.90000110.3
52S42.3Very low45.1Very low120 Ų120136.4 Ų136.484%0.83979%0.787SS**  trans-77139.5179.6-65.70000113.2
53S50Low46.2Very low111 Ų111134.1 Ų134.178%0.77678%0.779SS**  179.8123.2129.8390000111.9
54S40Very low47.8Very low122 Ų122136.5 Ų136.585%0.85377%0.769SS**  trans36.597.3133.9-39.60000120.5
55A44.6Very low49.5Very low97 Ų97129.1 Ų129.180%0.80275%0.751SS**  trans173.9135.4133.700000111.1
56P43.6Very low51.3Low128 Ų128128.9 Ų128.983%0.83175%0.745SS**  trans-89.1161.6178.936.1-31.6000112.1
57S46.6Very low53.1Low116 Ų116127.4 Ų127.481%0.81173%0.733SS**SBendtrans103.515.4164.3-156.40000119.6
58S50.6Low55.4Low81 Ų81124 Ų12457%0.56672%0.715SS**  trans-116.71.8164.7-57.70000114.3E60 F61 E62S58-E60 VanDerWaalsContact C-N 3.26Å; S58-E60 PolarHBondContact O-N 3.29Å; S58-F61 PolarHBondContact O-N 2.95Å; S58-F61 VanDerWaalsContact O-N 3.16Å; S58-E62 PolarHBondContact O-N 2.91Å
59S56Low57.3Low80 Ų80121.1 Ų121.156%0.55969%0.693SS**Hα-helixtrans-63.5-26.4-172.353.60000114.4I63S59-I63 WeakPolarHBondContact O-CD1 3.39Å; S59-I63 VanDerWaalsContact O-CG1 3.23Å; S59-I63 WeakPolarHBondContact O-CG1 3.46Å; S59-I63 PolarHBondContact O-N 3.48Å
60E56.7Low59.6Low164 Ų164118.7 Ų118.777%0.76668%0.677SS**Hα-helixtrans-74.9-39.2177.3-158.2131.3-148.300111.2S58 I63 E64S58-E60 VanDerWaalsContact C-N 3.26Å; S58-E60 PolarHBondContact O-N 3.29Å; E60-I63 PolarHBondContact O-N 3.29Å; E60-E64 VanDerWaalsContact O-CB 3.29Å; E60-E64 WeakPolarHBondContact O-CB 3.42Å; E60-E64 PolarHBondContact O-N 3.02Å
61F59.5Low61.9Low156 Ų156111.1 Ų111.168%0.68465%0.648SS**Hα-helixtrans-71.1-36179-161.5-97.5000112.5S58 S65S58-F61 PolarHBondContact O-N 2.95Å; S58-F61 VanDerWaalsContact O-N 3.16Å; F61-S65 WeakPolarHBondContact O-CB 3.46Å; F61-S65 PolarHBondContact O-N 3.48Å
62E60.6Low64.3Low141 Ų141108 Ų10866%0.65963%0.627SS**Hα-helixtrans-67.7-40.9175.5-71.8-176.2-178.300112.3S58 L66S58-E62 PolarHBondContact O-N 2.91Å; E62-L66 WeakPolarHBondContact O-CB 3.48Å; E62-L66 PolarHBondContact O-N 3.22Å
63I68.2Low66.6Low114 Ų114108.8 Ų108.859%0.58561%0.611SS**Hα-helixtrans-67.7-45.8176.3-65.5169.6000110.1S59 E60 S65 L66 V67S59-I63 WeakPolarHBondContact O-CD1 3.39Å; S59-I63 VanDerWaalsContact O-CG1 3.23Å; S59-I63 WeakPolarHBondContact O-CG1 3.46Å; S59-I63 PolarHBondContact O-N 3.48Å; E60-I63 PolarHBondContact O-N 3.29Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 3.16Å; I63-L66 PolarHBondContact O-N 3.43Å; I63-V67 HydrophobicContact CG2-CG2 4.39Å; I63-V67 VanDerWaalsContact O-CG2 3.31Å; I63-V67 WeakPolarHBondContact O-CG2 3.29Å; I63-V67 PolarHBondContact O-N 3.28Å
64E69Low68.4Low130 Ų130109.2 Ų109.261%0.60760%0.601SS**Hα-helixtrans-62.2-39.5177.6-166.4173.5-164.500111.3E60 H68E60-E64 VanDerWaalsContact O-CB 3.29Å; E60-E64 WeakPolarHBondContact O-CB 3.42Å; E60-E64 PolarHBondContact O-N 3.02Å; E64-H68 WeakPolarHBondContact O-CB 3.42Å; E64-H68 PolarHBondContact O-N 2.89Å
65S75.1Confident70.8Confident68 Ų68108.7 Ų108.748%0.47659%0.585SS.*Hα-helixtrans-65.3-39.2174.4-177.80000112.9F61 I63 H68 D69F61-S65 WeakPolarHBondContact O-CB 3.46Å; F61-S65 PolarHBondContact O-N 3.48Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 3.16Å; S65-H68 PolarHBondContact O-N 3.25Å; S65-D69 PolarHBondContact O-N 3Å
66L75.7Confident72.9Confident133 Ų133108.6 Ų108.670%0.69657%0.568SS**Hα-helixtrans-71.8-40.2-179.9-148.875.8000111.2E62 I63 H68 D69 E70E62-L66 WeakPolarHBondContact O-CB 3.48Å; E62-L66 PolarHBondContact O-N 3.22Å; I63-L66 PolarHBondContact O-N 3.43Å; L66-H68 VanDerWaalsContact C-N 3.33Å; L66-D69 PolarHBondContact O-N 2.85Å; L66-E70 PolarHBondContact O-N 3.05Å
67V78.6Confident75.1Confident84 Ų84106 Ų10651%0.50955%0.549SS..Hα-helixtrans-63.9-41.3171.8174.20000110.1I63 E70 T71I63-V67 HydrophobicContact CG2-CG2 4.39Å; I63-V67 VanDerWaalsContact O-CG2 3.31Å; I63-V67 WeakPolarHBondContact O-CG2 3.29Å; I63-V67 PolarHBondContact O-N 3.28Å; V67-E70 PolarHBondContact O-N 2.79Å; V67-T71 HydrophobicContact CG1-CG2 4.33Å; V67-T71 VanDerWaalsContact O-CG2 3.22Å; V67-T71 WeakPolarHBondContact O-CG2 3.31Å; V67-T71 PolarHBondContact O-N 3.4Å; V67-T71 PolarHBondContact O-OG1 3.33Å
68H82Confident77.1Confident109 Ų109103.8 Ų103.851%0.50553%0.528SS..Hα-helixtrans-60.8-46.6175.8-167.971.8000111.7E64 S65 L66 E70 T71 L72E64-H68 WeakPolarHBondContact O-CB 3.42Å; E64-H68 PolarHBondContact O-N 2.89Å; S65-H68 PolarHBondContact O-N 3.25Å; L66-H68 VanDerWaalsContact C-N 3.33Å; H68-E70 PolarHBondContact O-N 3.36Å; H68-T71 WeakPolarHBondContact CA-OG1 3.35Å; H68-T71 PolarHBondContact O-N 2.83Å; H68-T71 PolarHBondContact O-OG1 2.9Å; H68-L72 WeakPolarHBondContact O-CG 3.43Å; H68-L72 PolarHBondContact O-N 3.07Å
69D85.4Confident78.9Confident65 Ų65103.1 Ų103.135%0.34851%0.513SS..Hα-helixtrans-61.5-42.9177-168.834.6000112S65 L66 T71 L72 R73S65-D69 PolarHBondContact O-N 3Å; L66-D69 PolarHBondContact O-N 2.85Å; D69-T71 PolarHBondContact O-N 3.14Å; D69-L72 PolarHBondContact O-N 2.98Å; D69-R73 VanDerWaalsContact O-CG 3.3Å; D69-R73 WeakPolarHBondContact O-CG 3.37Å; D69-R73 PolarHBondContact O-N 3.3Å; D69-R73 IonicContact OD1-CZ 2.8Å; D69-R73 IonicContact OD1-NE 3.96Å; D69-R73 PolarHBondContact OD1-NE 3.13Å; D69-R73 IonicContact OD1-NH2 2.9Å; D69-R73 IonicContact OD2-CZ 3.96Å; D69-R73 IonicContact OD2-NE 2.65Å; D69-R73 PolarHBondContact OD2-NE 3.5Å; D69-R73 IonicContact OD2-NH2 2.69Å; D69-R73 PolarHBondContact OD2-NH2 3.45Å
70E87.3Confident80.4Confident123 Ų123102.5 Ų102.558%0.57550%0.503SS*.Hα-helixtrans-61.8-43.5175.6-169.361.7-137.900111.6L66 V67 H68 L72 R73 E74L66-E70 PolarHBondContact O-N 3.05Å; V67-E70 PolarHBondContact O-N 2.79Å; H68-E70 PolarHBondContact O-N 3.36Å; E70-L72 VanDerWaalsContact C-N 3.31Å; E70-L72 PolarHBondContact O-N 3.17Å; E70-R73 PolarHBondContact O-N 2.91Å; E70-E74 WeakPolarHBondContact O-CB 3.41Å; E70-E74 PolarHBondContact O-N 3.37Å
71T89.2Confident82Confident51 Ų51102.7 Ų102.731%0.31350%0.497SS..Hα-helixtrans-64.8-34.6176.664.90000112.6V67 H68 D69 Q75V67-T71 HydrophobicContact CG1-CG2 4.33Å; V67-T71 VanDerWaalsContact O-CG2 3.22Å; V67-T71 WeakPolarHBondContact O-CG2 3.31Å; V67-T71 PolarHBondContact O-N 3.4Å; V67-T71 PolarHBondContact O-OG1 3.33Å; H68-T71 WeakPolarHBondContact CA-OG1 3.35Å; H68-T71 PolarHBondContact O-N 2.83Å; H68-T71 PolarHBondContact O-OG1 2.9Å; D69-T71 PolarHBondContact O-N 3.14Å; T71-Q75 WeakPolarHBondContact O-CB 3.38Å; T71-Q75 VanDerWaalsContact O-CG 3.22Å; T71-Q75 WeakPolarHBondContact O-CG 3.29Å; T71-Q75 PolarHBondContact O-N 2.95Å
72L89.6Confident83.4Confident76 Ų76103.2 Ų103.240%0.39849%0.494SS..Hα-helixtrans-68.4-41.5175.4-72.2179.3000111.3H68 D69 E70 Q75 E76H68-L72 WeakPolarHBondContact O-CG 3.43Å; H68-L72 PolarHBondContact O-N 3.07Å; D69-L72 PolarHBondContact O-N 2.98Å; E70-L72 VanDerWaalsContact C-N 3.31Å; E70-L72 PolarHBondContact O-N 3.17Å; L72-Q75 PolarHBondContact O-N 3.33Å; L72-E76 WeakPolarHBondContact O-CB 3.43Å; L72-E76 PolarHBondContact O-N 3.37Å
73R90Very high84.6Confident136 Ų136100.7 Ų100.751%0.51348%0.481SS..Hα-helixtrans-62.9-44.9174.7-70.1173.7-169.2-75.4-6.2111.4D69 E70 E76 V77D69-R73 VanDerWaalsContact O-CG 3.3Å; D69-R73 WeakPolarHBondContact O-CG 3.37Å; D69-R73 PolarHBondContact O-N 3.3Å; D69-R73 IonicContact OD1-CZ 2.8Å; D69-R73 IonicContact OD1-NE 3.96Å; D69-R73 PolarHBondContact OD1-NE 3.13Å; D69-R73 IonicContact OD1-NH2 2.9Å; D69-R73 IonicContact OD2-CZ 3.96Å; D69-R73 IonicContact OD2-NE 2.65Å; D69-R73 PolarHBondContact OD2-NE 3.5Å; D69-R73 IonicContact OD2-NH2 2.69Å; D69-R73 PolarHBondContact OD2-NH2 3.45Å; E70-R73 PolarHBondContact O-N 2.91Å; R73-E76 PolarHBondContact O-N 3.34Å; R73-V77 WeakPolarHBondContact O-CG2 3.47Å; R73-V77 PolarHBondContact O-N 2.85Å
74E88.8Confident85.6Confident120 Ų120102 Ų10256%0.56148%0.482SS*.Hα-helixtrans-61.9-44.7176.2-172.9174.3-162.100111.5E70 E76 V77 I78E70-E74 WeakPolarHBondContact O-CB 3.41Å; E70-E74 PolarHBondContact O-N 3.37Å; E74-E76 VanDerWaalsContact C-N 3.32Å; E74-E76 PolarHBondContact O-N 3.12Å; E74-V77 PolarHBondContact O-N 3.13Å; E74-I78 HydrophobicContact CG-CD1 4.09Å; E74-I78 VanDerWaalsContact O-CG1 3.28Å; E74-I78 WeakPolarHBondContact O-CG1 3.21Å; E74-I78 PolarHBondContact O-N 2.69Å
75Q89.2Confident86.6Confident111 Ų111100.5 Ų100.552%0.51948%0.479SS..Hα-helixtrans-59.7-41.8174.4-77.3177.246.900112T71 L72 I78 R79T71-Q75 WeakPolarHBondContact O-CB 3.38Å; T71-Q75 VanDerWaalsContact O-CG 3.22Å; T71-Q75 WeakPolarHBondContact O-CG 3.29Å; T71-Q75 PolarHBondContact O-N 2.95Å; L72-Q75 PolarHBondContact O-N 3.33Å; Q75-I78 PolarHBondContact O-N 3.21Å; Q75-R79 VanDerWaalsContact O-CG 3.31Å; Q75-R79 WeakPolarHBondContact O-CG 3.37Å; Q75-R79 PolarHBondContact O-N 3.21Å
76E88.7Confident87.2Confident94 Ų9499.2 Ų99.244%0.43947%0.466SS..Hα-helixtrans-61.8-46176.6-178.8148.3-117.800112.2L72 R73 E74 I78 R79 D80L72-E76 WeakPolarHBondContact O-CB 3.43Å; L72-E76 PolarHBondContact O-N 3.37Å; R73-E76 PolarHBondContact O-N 3.34Å; E74-E76 VanDerWaalsContact C-N 3.32Å; E74-E76 PolarHBondContact O-N 3.12Å; E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 3.1Å; E76-R79 WeakPolarHBondContact O-CB 3.38Å; E76-R79 PolarHBondContact O-N 2.84Å; E76-R79 VanDerWaalsContact O-N 3.15Å; E76-R79 IonicContact OE1-NH2 3.76Å; E76-R79 PolarHBondContact OE1-NH2 2.8Å; E76-D80 PolarHBondContact O-N 3.44Å
77V90.2Very high87.9Confident73 Ų7398.6 Ų98.644%0.44246%0.46SS..Hα-helixtrans-59.6-41.6175.5172.90000111.4R73 E74 D80 R81R73-V77 WeakPolarHBondContact O-CG2 3.47Å; R73-V77 PolarHBondContact O-N 2.85Å; E74-V77 PolarHBondContact O-N 3.13Å; V77-D80 PolarHBondContact O-N 3.45Å; V77-R81 WeakPolarHBondContact O-CG 3.46Å; V77-R81 PolarHBondContact O-N 3.24Å
78I89.6Confident88.6Confident70 Ų7098 Ų9836%0.35945%0.454SS..Hα-helixtrans-63.3-43.5176.8-68165.2000110.9E74 Q75 E76 D80 R81 R82E74-I78 HydrophobicContact CG-CD1 4.09Å; E74-I78 VanDerWaalsContact O-CG1 3.28Å; E74-I78 WeakPolarHBondContact O-CG1 3.21Å; E74-I78 PolarHBondContact O-N 2.69Å; Q75-I78 PolarHBondContact O-N 3.21Å; E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 3.1Å; I78-D80 PolarHBondContact O-N 3.19Å; I78-R81 PolarHBondContact O-N 2.91Å; I78-R82 WeakPolarHBondContact O-CG 3.39Å; I78-R82 PolarHBondContact O-N 3.4Å
79R87.1Confident89.1Confident67 Ų6797.5 Ų97.525%0.25345%0.453SS..Hα-helixtrans-61.8-43.5177.4-69.5-176.8-34119.47.3111.6Q75 E76 R81 R82 K83Q75-R79 VanDerWaalsContact O-CG 3.31Å; Q75-R79 WeakPolarHBondContact O-CG 3.37Å; Q75-R79 PolarHBondContact O-N 3.21Å; E76-R79 WeakPolarHBondContact O-CB 3.38Å; E76-R79 PolarHBondContact O-N 2.84Å; E76-R79 VanDerWaalsContact O-N 3.15Å; E76-R79 IonicContact OE1-NH2 3.76Å; E76-R79 PolarHBondContact OE1-NH2 2.8Å; R79-R81 VanDerWaalsContact C-N 3.34Å; R79-R81 PolarHBondContact O-N 3.48Å; R79-R82 PolarHBondContact O-N 2.74Å; R79-K83 WeakPolarHBondContact O-CG 3.48Å; R79-K83 PolarHBondContact O-N 3.39Å
80D87.6Confident89.4Confident68 Ų6896 Ų9636%0.36444%0.444SS..Hα-helixtrans-68.8-34.4-179.1-76.4-10.6000112.4E76 V77 I78 K83 K84E76-D80 PolarHBondContact O-N 3.44Å; V77-D80 PolarHBondContact O-N 3.45Å; I78-D80 PolarHBondContact O-N 3.19Å; D80-K83 IonicContact OD1-NZ 3.81Å; D80-K84 WeakPolarHBondContact O-CG 3.25Å; D80-K84 PolarHBondContact O-N 3.5Å; D80-K84 VanDerWaalsContact O-N 3.09Å
81R91.7Very high89.8Confident167 Ų16793 Ų9363%0.6343%0.43SS*.Hα-helixtrans-60.7-46.6169.4-73.4177.8179.8-179.72.1111.4V77 I78 R79 K83 K84 D85V77-R81 WeakPolarHBondContact O-CG 3.46Å; V77-R81 PolarHBondContact O-N 3.24Å; I78-R81 PolarHBondContact O-N 2.91Å; R79-R81 VanDerWaalsContact C-N 3.34Å; R79-R81 PolarHBondContact O-N 3.48Å; R81-K83 PolarHBondContact O-N 2.86Å; R81-K84 PolarHBondContact O-N 3.08Å; R81-D85 PolarHBondContact O-N 3.01Å
82R87.7Confident90.1Very high167 Ų16798.1 Ų98.163%0.6344%0.444SS*.Hα-helixtrans-60.9-44.6177.6-71.5-179.7-177.6-174.52.3112.6I78 R79 K84 D85 I86I78-R82 WeakPolarHBondContact O-CG 3.39Å; I78-R82 PolarHBondContact O-N 3.4Å; R79-R82 PolarHBondContact O-N 2.74Å; R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 3.17Å; R82-D85 PolarHBondContact O-N 3.49Å; R82-I86 WeakPolarHBondContact O-CB 3.32Å; R82-I86 WeakPolarHBondContact O-CG1 3.48Å; R82-I86 PolarHBondContact O-N 2.97Å
83K87Confident90.4Very high88 Ų8898.4 Ų98.438%0.38344%0.439SS..Hα-helixtrans-57.6-44.3175.3-73.2176.8179.4175.50111.7R79 D80 R81 I86 H87R79-K83 WeakPolarHBondContact O-CG 3.48Å; R79-K83 PolarHBondContact O-N 3.39Å; D80-K83 IonicContact OD1-NZ 3.81Å; R81-K83 PolarHBondContact O-N 2.86Å; K83-I86 PolarHBondContact O-N 3.39Å; K83-H87 VanDerWaalsContact O-CB 3.26Å; K83-H87 WeakPolarHBondContact O-CB 3.47Å; K83-H87 PolarHBondContact O-N 2.66Å
84K89.1Confident90.7Very high141 Ų14198.2 Ų98.261%0.61344%0.439SS*.Hα-helixtrans-64-42.1176.9-73.3174.5-179.6177.30111.9D80 R81 R82 H87 N88D80-K84 WeakPolarHBondContact O-CG 3.25Å; D80-K84 PolarHBondContact O-N 3.5Å; D80-K84 VanDerWaalsContact O-N 3.09Å; R81-K84 PolarHBondContact O-N 3.08Å; R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 3.17Å; K84-H87 PolarHBondContact O-N 3.01Å; K84-N88 VanDerWaalsContact O-CB 3.27Å; K84-N88 WeakPolarHBondContact O-CB 3.32Å; K84-N88 PolarHBondContact O-N 3.45Å; K84-N88 PolarHBondContact O-ND2 3.06Å; K84-N88 VanDerWaalsContact O-ND2 3.15Å
85D88.9Confident91.1Very high100 Ų10098.6 Ų98.654%0.53544%0.435SS..Hα-helixtrans-65.9-42.4178.7-70.9-24.9000112.2R81 R82 N88 M89R81-D85 PolarHBondContact O-N 3.01Å; R82-D85 PolarHBondContact O-N 3.49Å; D85-N88 PolarHBondContact O-N 3.43Å; D85-M89 WeakPolarHBondContact O-CB 3.29Å; D85-M89 PolarHBondContact O-N 3.47Å
86I88.4Confident91.5Very high40 Ų40100.7 Ų100.721%0.20544%0.439CS..Hα-helixtrans-64.5-47.8176-71.3168.1000110.4I11 E15 R82 K83 N88 M89 I90I11-I86 HydrophobicContact CG2-CG2 3.84Å; E15-I86 WeakPolarHBondContact OE1-CD1 3.27Å; R82-I86 WeakPolarHBondContact O-CB 3.32Å; R82-I86 WeakPolarHBondContact O-CG1 3.48Å; R82-I86 PolarHBondContact O-N 2.97Å; K83-I86 PolarHBondContact O-N 3.39Å; I86-N88 VanDerWaalsContact C-N 3.32Å; I86-N88 PolarHBondContact O-N 3.22Å; I86-M89 WeakPolarHBondContact O-CB 3.5Å; I86-M89 PolarHBondContact O-N 3.17Å; I86-M89 VanDerWaalsContact O-N 3.11Å; I86-I90 HydrophobicContact CG2-CD1 3.94Å; I86-I90 WeakPolarHBondContact O-CG1 3.43Å; I86-I90 PolarHBondContact O-N 2.86Å
87H90.9Very high91.9Very high121 Ų12198.4 Ų98.456%0.5643%0.43SS*.Hα-helixtrans-55.1-48.1174.1176.373.6000111.7K83 K84 M89 I90 E91K83-H87 VanDerWaalsContact O-CB 3.26Å; K83-H87 WeakPolarHBondContact O-CB 3.47Å; K83-H87 PolarHBondContact O-N 2.66Å; K84-H87 PolarHBondContact O-N 3.01Å; H87-M89 VanDerWaalsContact C-N 3.29Å; H87-M89 PolarHBondContact O-N 3.06Å; H87-I90 PolarHBondContact O-N 3.34Å; H87-E91 PolarHBondContact O-N 3.47Å
88N92.4Very high92.3Very high72 Ų7298.3 Ų98.339%0.38543%0.426SS..Hα-helixtrans-61.7-36.3177.7-75.4-26.1000112.6K84 D85 I86 R92K84-N88 VanDerWaalsContact O-CB 3.27Å; K84-N88 WeakPolarHBondContact O-CB 3.32Å; K84-N88 PolarHBondContact O-N 3.45Å; K84-N88 PolarHBondContact O-ND2 3.06Å; K84-N88 VanDerWaalsContact O-ND2 3.15Å; D85-N88 PolarHBondContact O-N 3.43Å; I86-N88 VanDerWaalsContact C-N 3.32Å; I86-N88 PolarHBondContact O-N 3.22Å; N88-R92 WeakPolarHBondContact O-CB 3.38Å; N88-R92 VanDerWaalsContact O-CG 3.28Å; N88-R92 WeakPolarHBondContact O-CG 3.41Å; N88-R92 PolarHBondContact O-N 3.08Å
89M93Very high92.7Very high98 Ų9897.6 Ų97.648%0.48342%0.423SS..Hα-helixtrans-68.9-45.7177.5179.4174.561.500111.5I11 D85 I86 H87 E91 R92 R93I11-M89 HydrophobicContact CD1-CE 4.48Å; D85-M89 WeakPolarHBondContact O-CB 3.29Å; D85-M89 PolarHBondContact O-N 3.47Å; I86-M89 WeakPolarHBondContact O-CB 3.5Å; I86-M89 PolarHBondContact O-N 3.17Å; I86-M89 VanDerWaalsContact O-N 3.11Å; H87-M89 VanDerWaalsContact C-N 3.29Å; H87-M89 PolarHBondContact O-N 3.06Å; M89-E91 PolarHBondContact O-N 3.43Å; M89-R92 WeakPolarHBondContact O-CB 3.45Å; M89-R92 PolarHBondContact O-N 3.42Å; M89-R93 PolarHBondContact O-N 2.69Å
90I91.1Very high93.2Very high33 Ų3397.5 Ų97.517%0.16943%0.428CS..Hα-helixtrans-59.9-47.1176.7-68.9169.6000110.2I8 I86 H87 R92 R93 R94I8-I90 HydrophobicContact CG1-CG2 4.37Å; I8-I90 HydrophobicContact CG2-CG2 4.47Å; I86-I90 HydrophobicContact CG2-CD1 3.94Å; I86-I90 WeakPolarHBondContact O-CG1 3.43Å; I86-I90 PolarHBondContact O-N 2.86Å; H87-I90 PolarHBondContact O-N 3.34Å; I90-R92 VanDerWaalsContact C-N 3.32Å; I90-R92 PolarHBondContact O-N 3.32Å; I90-R93 WeakPolarHBondContact O-CB 3.31Å; I90-R93 PolarHBondContact O-N 3.2Å; I90-R93 VanDerWaalsContact O-N 3.13Å; I90-R94 PolarHBondContact O-N 3.08Å
91E95.4Very high93.7Very high60 Ų6099.4 Ų99.428%0.2843%0.43SS..Hα-helixtrans-67.3-32.8179.7-178.154.5-154.200112.2H87 M89 R94 R95H87-E91 PolarHBondContact O-N 3.47Å; M89-E91 PolarHBondContact O-N 3.43Å; E91-R94 IonicContact OE1-NH1 3.97Å; E91-R94 PolarHBondContact OE1-NH1 3.1Å; E91-R94 WeakPolarHBondContact OE2-CD 3.36Å; E91-R94 IonicContact OE2-NH1 3.05Å; E91-R94 PolarHBondContact OE2-NH1 3.1Å; E91-R95 WeakPolarHBondContact O-CB 3.44Å; E91-R95 VanDerWaalsContact O-CG 3.31Å; E91-R95 WeakPolarHBondContact O-CG 3.43Å; E91-R95 PolarHBondContact O-N 2.88Å; E91-R95 PolarHBondContact O-NE 3.27Å; E91-R95 WeakPolarHBondContact OE1-CG 3.44Å
92R96.2Very high93.9Very high159 Ų15992.5 Ų92.560%0.641%0.405SS*.Hα-helixtrans-61.3-46170.1-81.2-178.4-124.8-160.42.5111.5N88 M89 I90 R95 Y96N88-R92 WeakPolarHBondContact O-CB 3.38Å; N88-R92 VanDerWaalsContact O-CG 3.28Å; N88-R92 WeakPolarHBondContact O-CG 3.41Å; N88-R92 PolarHBondContact O-N 3.08Å; M89-R92 WeakPolarHBondContact O-CB 3.45Å; M89-R92 PolarHBondContact O-N 3.42Å; I90-R92 VanDerWaalsContact C-N 3.32Å; I90-R92 PolarHBondContact O-N 3.32Å; R92-R95 VanDerWaalsContact CG-NH2 3.29Å; R92-R95 PolarHBondContact O-N 2.9Å; R92-Y96 PolarHBondContact O-N 3.04Å
93R95.9Very high94.2Very high81 Ų8191.2 Ų91.231%0.30640%0.404SS..Hα-helixtrans-63.7-44.1178.7-172176.6-174.5159.62.7111.7D4 M89 I90 R95 Y96 N97D4-R93 IonicContact OD1-CZ 2.83Å; D4-R93 IonicContact OD1-NE 3.49Å; D4-R93 PolarHBondContact OD1-NE 3.39Å; D4-R93 IonicContact OD1-NH2 2.85Å; D4-R93 PolarHBondContact OD1-NH2 2.75Å; M89-R93 PolarHBondContact O-N 2.69Å; I90-R93 WeakPolarHBondContact O-CB 3.31Å; I90-R93 PolarHBondContact O-N 3.2Å; I90-R93 VanDerWaalsContact O-N 3.13Å; R93-R95 PolarHBondContact O-N 2.89Å; R93-Y96 WeakPolarHBondContact O-CB 3.38Å; R93-Y96 PolarHBondContact O-N 3.44Å; R93-N97 PolarHBondContact O-N 2.8Å
94R95.9Very high94.7Very high133 Ų13391.3 Ų91.350%0.50241%0.406SS..Hα-helixtrans-57-48.3174.4179.3174.8167.5-83.6-4.9111.6I90 E91 Y96 N97 I98I90-R94 PolarHBondContact O-N 3.08Å; E91-R94 IonicContact OE1-NH1 3.97Å; E91-R94 PolarHBondContact OE1-NH1 3.1Å; E91-R94 WeakPolarHBondContact OE2-CD 3.36Å; E91-R94 IonicContact OE2-NH1 3.05Å; E91-R94 PolarHBondContact OE2-NH1 3.1Å; R94-Y96 VanDerWaalsContact C-N 3.33Å; R94-Y96 PolarHBondContact O-N 2.86Å; R94-N97 PolarHBondContact O-N 3.33Å; R94-I98 HydrophobicContact CG-CD1 4.13Å; R94-I98 WeakPolarHBondContact O-CG1 3.28Å; R94-I98 PolarHBondContact O-N 2.88Å
95R98.2Very high95.1Very high128 Ų12887.3 Ų87.348%0.48339%0.391SS..Hα-helixtrans-61.9-39.5176.5-74.7-176.9-70.4145.6-11.5112.6E91 R92 R93 N99E91-R95 WeakPolarHBondContact O-CB 3.44Å; E91-R95 VanDerWaalsContact O-CG 3.31Å; E91-R95 WeakPolarHBondContact O-CG 3.43Å; E91-R95 PolarHBondContact O-N 2.88Å; E91-R95 PolarHBondContact O-NE 3.27Å; E91-R95 WeakPolarHBondContact OE1-CG 3.44Å; R92-R95 VanDerWaalsContact CG-NH2 3.29Å; R92-R95 PolarHBondContact O-N 2.9Å; R93-R95 PolarHBondContact O-N 2.89Å; R95-N99 WeakPolarHBondContact O-CB 3.44Å; R95-N99 PolarHBondContact O-N 3.43Å; R95-N99 PolarHBondContact O-ND2 3.41Å; R95-N99 VanDerWaalsContact O-ND2 3.11Å
96Y97.2Very high95.3Very high155 Ų15583.9 Ų83.961%0.60838%0.375SS*.Hα-helixtrans-60.9-51.2175.2175.6-91.7000111.1R92 R93 R94 I98 N99 D100R92-Y96 PolarHBondContact O-N 3.04Å; R93-Y96 WeakPolarHBondContact O-CB 3.38Å; R93-Y96 PolarHBondContact O-N 3.44Å; R94-Y96 VanDerWaalsContact C-N 3.33Å; R94-Y96 PolarHBondContact O-N 2.86Å; Y96-I98 PolarHBondContact O-N 3.44Å; Y96-N99 PolarHBondContact O-N 3.07Å; Y96-N99 VanDerWaalsContact O-N 3.13Å; Y96-D100 HydrophobicContact CE1-CB 4.45Å; Y96-D100 WeakPolarHBondContact O-CB 3.47Å; Y96-D100 PolarHBondContact O-N 2.97Å
97N96.8Very high95.6Very high45 Ų4587.2 Ų87.224%0.24140%0.397CS..Hα-helixtrans-57.8-47.4179.6-176.2-73.8000111.4D4 R93 R94 N99 D100 R101D4-N97 PolarHBondContact OD2-ND2 3.18Å; R93-N97 PolarHBondContact O-N 2.8Å; R94-N97 PolarHBondContact O-N 3.33Å; N97-N99 VanDerWaalsContact C-N 3.34Å; N97-N99 PolarHBondContact O-N 3.45Å; N97-D100 PolarHBondContact O-N 3.46Å; N97-R101 WeakPolarHBondContact O-CG 3.16Å; N97-R101 PolarHBondContact O-N 2.77Å
98I98.1Very high95.8Very high71 Ų7186.7 Ų86.736%0.36440%0.398SS..Hα-helixtrans-57.2-46.8175.9-67.5169.4000111.3R94 Y96 D100 R101 I102R94-I98 HydrophobicContact CG-CD1 4.13Å; R94-I98 WeakPolarHBondContact O-CG1 3.28Å; R94-I98 PolarHBondContact O-N 2.88Å; Y96-I98 PolarHBondContact O-N 3.44Å; I98-D100 VanDerWaalsContact C-N 3.31Å; I98-D100 PolarHBondContact O-N 2.65Å; I98-R101 PolarHBondContact O-N 3.37Å; I98-I102 HydrophobicContact CG2-CD1 3.98Å; I98-I102 VanDerWaalsContact O-CG1 3.31Å; I98-I102 WeakPolarHBondContact O-CG1 3.27Å; I98-I102 PolarHBondContact O-N 3.13Å; I98-I102 VanDerWaalsContact O-N 3.07Å
99N97.4Very high95.9Very high56 Ų5684 Ų8430%0.29938%0.383SS..Hα-helixtrans-65.1-36.1179.9-71.4-30.4000112.5R95 Y96 N97 I102 K103 K121R95-N99 WeakPolarHBondContact O-CB 3.44Å; R95-N99 PolarHBondContact O-N 3.43Å; R95-N99 PolarHBondContact O-ND2 3.41Å; R95-N99 VanDerWaalsContact O-ND2 3.11Å; Y96-N99 PolarHBondContact O-N 3.07Å; Y96-N99 VanDerWaalsContact O-N 3.13Å; N97-N99 VanDerWaalsContact C-N 3.34Å; N97-N99 PolarHBondContact O-N 3.45Å; N99-I102 PolarHBondContact O-N 2.98Å; N99-K103 WeakPolarHBondContact O-CG 3.43Å; N99-K103 PolarHBondContact O-N 3.05Å; N99-K121 PolarHBondContact OD1-NZ 3.12Å
100D97.5Very high95.9Very high65 Ų6581.2 Ų81.235%0.34837%0.373SS..Hα-helixtrans-66.5-46.2178.1-167.156.3000111.2Y96 N97 I98 I102 K103 E104Y96-D100 HydrophobicContact CE1-CB 4.45Å; Y96-D100 WeakPolarHBondContact O-CB 3.47Å; Y96-D100 PolarHBondContact O-N 2.97Å; N97-D100 PolarHBondContact O-N 3.46Å; I98-D100 VanDerWaalsContact C-N 3.31Å; I98-D100 PolarHBondContact O-N 2.65Å; D100-I102 VanDerWaalsContact C-N 3.29Å; D100-I102 PolarHBondContact O-N 2.9Å; D100-K103 WeakPolarHBondContact O-CA 3.37Å; D100-K103 WeakPolarHBondContact O-CB 3.5Å; D100-K103 PolarHBondContact O-N 3.41Å; D100-E104 PolarHBondContact O-N 3.33Å
101R97.8Very high95.6Very high108 Ų10887.5 Ų87.541%0.40840%0.399SS..Hα-helixtrans-60.4-37.9173.8-61.2-51.7178.7178.4-3.2112.8N97 I98 K103 E104 L105N97-R101 WeakPolarHBondContact O-CG 3.16Å; N97-R101 PolarHBondContact O-N 2.77Å; I98-R101 PolarHBondContact O-N 3.37Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 3.03Å; R101-E104 WeakPolarHBondContact CD-OE2 3.45Å; R101-E104 IonicContact CZ-OE2 3.84Å; R101-E104 IonicContact NH1-OE1 3.57Å; R101-E104 IonicContact NH1-OE2 3.36Å; R101-E104 PolarHBondContact NH1-OE2 3.44Å; R101-E104 PolarHBondContact O-N 2.92Å; R101-L105 VanDerWaalsContact O-CG 3.32Å; R101-L105 WeakPolarHBondContact O-CG 3.46Å; R101-L105 PolarHBondContact O-N 3.2Å
102I96.8Very high94.9Very high21 Ų2188.3 Ų88.311%0.10841%0.412CS..Hα-helixtrans-63.6-39.7173.8-67.6167.9000111I98 N99 D100 S106 K121 I124 L125I98-I102 HydrophobicContact CG2-CD1 3.98Å; I98-I102 VanDerWaalsContact O-CG1 3.31Å; I98-I102 WeakPolarHBondContact O-CG1 3.27Å; I98-I102 PolarHBondContact O-N 3.13Å; I98-I102 VanDerWaalsContact O-N 3.07Å; N99-I102 PolarHBondContact O-N 2.98Å; D100-I102 VanDerWaalsContact C-N 3.29Å; D100-I102 PolarHBondContact O-N 2.9Å; I102-S106 PolarHBondContact O-N 3.11Å; I102-S106 VanDerWaalsContact O-N 3.17Å; I102-K121 HydrophobicContact CD1-CD 4.27Å; I102-K121 HydrophobicContact CG2-CB 4.4Å; I102-K121 HydrophobicContact CG2-CG 4.24Å; I102-I124 HydrophobicContact CG2-CB 4.34Å; I102-I124 HydrophobicContact CG2-CD1 3.97Å; I102-I124 HydrophobicContact CG2-CG2 4.14Å; I102-I124 WeakPolarHBondContact O-CG2 3.19Å; I102-L125 HydrophobicContact CG1-CD2 4.21Å
103K94.9Very high94Very high141 Ų14183.1 Ų83.161%0.61340%0.399SS*.Hα-helixtrans-66.5-43.4175.6-71.8174.4-178.5179.40111.8N99 D100 R101 L105 S106 T107N99-K103 WeakPolarHBondContact O-CG 3.43Å; N99-K103 PolarHBondContact O-N 3.05Å; D100-K103 WeakPolarHBondContact O-CA 3.37Å; D100-K103 WeakPolarHBondContact O-CB 3.5Å; D100-K103 PolarHBondContact O-N 3.41Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 3.03Å; K103-L105 PolarHBondContact O-N 2.92Å; K103-S106 VanDerWaalsContact O-CB 3.25Å; K103-S106 WeakPolarHBondContact O-CB 3.28Å; K103-S106 PolarHBondContact O-N 3.46Å; K103-S106 VanDerWaalsContact O-N 3.08Å; K103-T107 PolarHBondContact O-N 3.38Å
104E96.5Very high92.6Very high89 Ų8982 Ų8242%0.41640%0.401SS..Hα-helixtrans-56.8-50176.3-176.2179.8-169.500110.8D100 R101 S106 T107 L108D100-E104 PolarHBondContact O-N 3.33Å; R101-E104 WeakPolarHBondContact CD-OE2 3.45Å; R101-E104 IonicContact CZ-OE2 3.84Å; R101-E104 IonicContact NH1-OE1 3.57Å; R101-E104 IonicContact NH1-OE2 3.36Å; R101-E104 PolarHBondContact NH1-OE2 3.44Å; R101-E104 PolarHBondContact O-N 2.92Å; E104-S106 PolarHBondContact O-N 2.7Å; E104-T107 PolarHBondContact O-N 2.99Å; E104-T107 PolarHBondContact O-OG1 3.45Å; E104-L108 PolarHBondContact O-N 3.47Å
105L96.9Very high91.3Very high58 Ų5883.3 Ų83.330%0.30441%0.413SS..Hα-helixtrans-53.5-41.8174.1-73.8173.9000112.3R101 K103 T107 L108 L109 I124 L125R101-L105 VanDerWaalsContact O-CG 3.32Å; R101-L105 WeakPolarHBondContact O-CG 3.46Å; R101-L105 PolarHBondContact O-N 3.2Å; K103-L105 PolarHBondContact O-N 2.92Å; L105-T107 PolarHBondContact O-N 3.09Å; L105-L108 PolarHBondContact O-N 2.9Å; L105-L108 VanDerWaalsContact O-N 3.13Å; L105-L109 PolarHBondContact O-N 3.03Å; L105-I124 HydrophobicContact CB-CG2 4.07Å; L105-L125 HydrophobicContact CD1-CD2 4.23Å
106S93.9Very high89.5Confident27 Ų2784.9 Ų84.919%0.18943%0.426CS..Hα-helixtrans-59.4-30.1177.6-167.60000113.4I102 K103 E104I102-S106 PolarHBondContact O-N 3.11Å; I102-S106 VanDerWaalsContact O-N 3.17Å; K103-S106 VanDerWaalsContact O-CB 3.25Å; K103-S106 WeakPolarHBondContact O-CB 3.28Å; K103-S106 PolarHBondContact O-N 3.46Å; K103-S106 VanDerWaalsContact O-N 3.08Å; E104-S106 PolarHBondContact O-N 2.7Å
107T93.7Very high87.9Confident111 Ų11184 Ų8468%0.68143%0.429SS*.Hα-helixtrans-81.1-21.8-179.968.10000113.2K103 E104 L105K103-T107 PolarHBondContact O-N 3.38Å; E104-T107 PolarHBondContact O-N 2.99Å; E104-T107 PolarHBondContact O-OG1 3.45Å; L105-T107 PolarHBondContact O-N 3.09Å
108L95.9Very high87Confident110 Ų11091.8 Ų91.858%0.57646%0.461SS*.Hα-helixtrans-85.7-10.9178-62.1175.9000112.6E104 L105 Y131E104-L108 PolarHBondContact O-N 3.47Å; L105-L108 PolarHBondContact O-N 2.9Å; L105-L108 VanDerWaalsContact O-N 3.13Å; L108-Y131 VanDerWaalsContact O-CE1 3.31Å; L108-Y131 WeakPolarHBondContact O-CE1 3.31Å
109L94.3Very high86.1Confident14 Ų1490.6 Ų90.67%0.07346%0.455CS..SBendtrans-73.1149.4177.9-71.7177.9000112.1L105 L119 I124 A127 Y131L105-L109 PolarHBondContact O-N 3.03Å; L109-L119 HydrophobicContact CD1-CD1 4.31Å; L109-I124 HydrophobicContact CD1-CG2 4.44Å; L109-A127 HydrophobicContact CD1-CB 3.74Å; L109-A127 HydrophobicContact CD2-CB 4.07Å; L109-Y131 HydrophobicContact CD2-CD1 4.27Å; L109-Y131 HydrophobicContact CD2-CG 4.4Å
110P92.7Very high85.8Confident41 Ų4192.3 Ų92.327%0.26646%0.464SS..  trans-56.3141.6171.8-24.534.5000112.3S112 C113 Y131P110-S112 PolarHBondContact O-N 3.13Å; P110-S112 VanDerWaalsContact O-N 3.14Å; P110-C113 WeakPolarHBondContact O-CB 3.44Å; P110-C113 PolarHBondContact O-N 2.95Å; P110-Y131 HydrophobicContact CG-CD2 3.68Å; P110-Y131 HydrophobicContact CG-CE1 4.38Å; P110-Y131 HydrophobicContact CG-CE2 3.47Å; P110-Y131 VanDerWaalsContact CG-CE2 3.47Å; P110-Y131 HydrophobicContact CG-CG 4.25Å
111K85.4Confident85.7Confident164 Ų16494.7 Ų94.771%0.71347%0.471SS*.Hα-helixtrans-57.1-31.3-178.1-64.1-175.6-179.7-1780113.8C113 T114 E115K111-C113 PolarHBondContact O-N 2.98Å; K111-C113 VanDerWaalsContact O-N 3.17Å; K111-T114 WeakPolarHBondContact CA-OG1 3.49Å; K111-T114 PolarHBondContact O-N 3.35Å; K111-T114 PolarHBondContact O-OG1 3.4Å; K111-E115 PolarHBondContact O-N 3.25Å; K111-E115 VanDerWaalsContact O-N 3.07Å
112S81.2Confident85.5Confident78 Ų7891.8 Ų91.855%0.54547%0.474SS..Hα-helixtrans-57.5-28.6174.654.70000112.8P110P110-S112 PolarHBondContact O-N 3.13Å; P110-S112 VanDerWaalsContact O-N 3.14Å
113C75.9Confident85.4Confident49 Ų4993.1 Ų93.133%0.33148%0.484SS..Hα-helixtrans-81-28.5175.1-62.50000112.9P110 K111 L119P110-C113 WeakPolarHBondContact O-CB 3.44Å; P110-C113 PolarHBondContact O-N 2.95Å; K111-C113 PolarHBondContact O-N 2.98Å; K111-C113 VanDerWaalsContact O-N 3.17Å; C113-L119 WeakPolarHBondContact O-CD2 3.48Å
114T67.5Low85.4Confident59 Ų5987 Ų8736%0.36246%0.458SS..Hα-helixtrans-83.8-30.4-17657.20000113.3K111 L119K111-T114 WeakPolarHBondContact CA-OG1 3.49Å; K111-T114 PolarHBondContact O-N 3.35Å; K111-T114 PolarHBondContact O-OG1 3.4Å; T114-L119 HydrophobicContact CG2-CD1 3.79Å
115E68.5Low85.4Confident159 Ų15986.5 Ų86.574%0.74346%0.457SS*.Hα-helixtrans-78.7-31.9-174.8-70.6-173.7-168.100113.1K111K111-E115 PolarHBondContact O-N 3.25Å; K111-E115 VanDerWaalsContact O-N 3.07Å
116E60Low85.3Confident162 Ų16290.8 Ų90.876%0.75747%0.473SS*.Hα-helixtrans-80.6-27.9-171.1-68.2-171.1177.600114.1
117M64.9Low85.3Confident137 Ų13790.6 Ų90.668%0.67547%0.473SS*.SBendtrans-149.9135.4-175.3-64.3-172.7171.500110.4L119M117-L119 VanDerWaalsContact C-N 3.31Å; M117-L119 PolarHBondContact O-N 3.05Å
118K76.8Confident85.5Confident208 Ų20885.8 Ų85.890%0.90444%0.444SS*.  trans-49.698.9164.6-75.1176.2177.4172.10108.3N120K118-N120 PolarHBondContact O-N 2.88Å; K118-N120 VanDerWaalsContact O-N 3.1Å
119L79.4Confident85.6Confident45 Ų4583.8 Ų83.824%0.23644%0.437CS..  trans-63.4117.1-172.4-73.9-179.8000109L109 C113 T114 M117 I124L109-L119 HydrophobicContact CD1-CD1 4.31Å; C113-L119 WeakPolarHBondContact O-CD2 3.48Å; T114-L119 HydrophobicContact CG2-CD1 3.79Å; M117-L119 VanDerWaalsContact C-N 3.31Å; M117-L119 PolarHBondContact O-N 3.05Å; L119-I124 HydrophobicContact CB-CD1 4.12Å; L119-I124 HydrophobicContact CB-CG1 3.69Å; L119-I124 HydrophobicContact CD1-CG1 4.29Å; L119-I124 HydrophobicContact CG-CG1 4.5Å
120N92Very high85.7Confident92 Ų9287.8 Ų87.849%0.49246%0.455SS..  trans-88.8162.3171.567.358000109.8K118 G122 T123 I124K118-N120 PolarHBondContact O-N 2.88Å; K118-N120 VanDerWaalsContact O-N 3.1Å; N120-G122 VanDerWaalsContact C-N 3.27Å; N120-G122 PolarHBondContact O-N 2.99Å; N120-G122 PolarHBondContact OD1-N 2.83Å; N120-G122 VanDerWaalsContact OD1-N 3.12Å; N120-T123 PolarHBondContact N-OG1 3.48Å; N120-T123 WeakPolarHBondContact ND2-CG2 3.46Å; N120-T123 PolarHBondContact O-N 3.32Å; N120-T123 VanDerWaalsContact O-N 3.1Å; N120-T123 PolarHBondContact O-OG1 3.33Å; N120-T123 WeakPolarHBondContact OD1-CG2 3.18Å; N120-T123 PolarHBondContact OD1-N 3.4Å; N120-T123 PolarHBondContact OD1-OG1 2.97Å; N120-I124 WeakPolarHBondContact O-CG1 3.38Å; N120-I124 PolarHBondContact O-N 3.04Å
121K94.4Very high85.9Confident116 Ų11689.4 Ų89.450%0.50446%0.456SS..Hα-helixtrans-53.3-43.4-177.2-61.9-172.6-176.3-178.30112.7N99 I102 I124 L125N99-K121 PolarHBondContact OD1-NZ 3.12Å; I102-K121 HydrophobicContact CD1-CD 4.27Å; I102-K121 HydrophobicContact CG2-CB 4.4Å; I102-K121 HydrophobicContact CG2-CG 4.24Å; K121-I124 PolarHBondContact O-N 3.02Å; K121-L125 VanDerWaalsContact O-CG 3.28Å; K121-L125 WeakPolarHBondContact O-CG 3.42Å; K121-L125 PolarHBondContact O-N 2.92Å
122G94.8Very high86.6Confident46 Ų4685.7 Ų85.747%0.47444%0.443SS..Hα-helixtrans-63.6-44179.300000112.7N120 L125 K126N120-G122 VanDerWaalsContact C-N 3.27Å; N120-G122 PolarHBondContact O-N 2.99Å; N120-G122 PolarHBondContact OD1-N 2.83Å; N120-G122 VanDerWaalsContact OD1-N 3.12Å; G122-L125 PolarHBondContact O-N 3.32Å; G122-K126 WeakPolarHBondContact O-CB 3.3Å; G122-K126 PolarHBondContact O-N 3.42Å
123T93.2Very high87.4Confident49 Ų4988.6 Ų88.630%0.30144%0.442SS..Hα-helixtrans-67.7-3817751.50000112.5N120 K126 A127N120-T123 PolarHBondContact N-OG1 3.48Å; N120-T123 WeakPolarHBondContact ND2-CG2 3.46Å; N120-T123 PolarHBondContact O-N 3.32Å; N120-T123 VanDerWaalsContact O-N 3.1Å; N120-T123 PolarHBondContact O-OG1 3.33Å; N120-T123 WeakPolarHBondContact OD1-CG2 3.18Å; N120-T123 PolarHBondContact OD1-N 3.4Å; N120-T123 PolarHBondContact OD1-OG1 2.97Å; T123-K126 PolarHBondContact O-N 2.91Å; T123-A127 WeakPolarHBondContact O-CB 3.49Å; T123-A127 PolarHBondContact O-N 3.47Å
124I94.9Very high88.4Confident13 Ų1391 Ų917%0.06745%0.448CS..Hα-helixtrans-60.3-49.9174.8-65.6164.8000109.6I102 L105 L109 L119 N120 K121 A127 S128I102-I124 HydrophobicContact CG2-CB 4.34Å; I102-I124 HydrophobicContact CG2-CD1 3.97Å; I102-I124 HydrophobicContact CG2-CG2 4.14Å; I102-I124 WeakPolarHBondContact O-CG2 3.19Å; L105-I124 HydrophobicContact CB-CG2 4.07Å; L109-I124 HydrophobicContact CD1-CG2 4.44Å; L119-I124 HydrophobicContact CB-CD1 4.12Å; L119-I124 HydrophobicContact CB-CG1 3.69Å; L119-I124 HydrophobicContact CD1-CG1 4.29Å; L119-I124 HydrophobicContact CG-CG1 4.5Å; N120-I124 WeakPolarHBondContact O-CG1 3.38Å; N120-I124 PolarHBondContact O-N 3.04Å; K121-I124 PolarHBondContact O-N 3.02Å; I124-A127 PolarHBondContact O-N 3.49Å; I124-S128 VanDerWaalsContact O-CB 3.29Å; I124-S128 WeakPolarHBondContact O-CB 3.37Å; I124-S128 PolarHBondContact O-N 2.89Å; I124-S128 PolarHBondContact O-OG 3.35Å
125L97.3Very high89.9Confident79 Ų7991.5 Ų91.541%0.41445%0.449SS..Hα-helixtrans-61.7-47.3-179.9-68.2174.8000111.4I102 L105 K121 G122 S128 V129I102-L125 HydrophobicContact CG1-CD2 4.21Å; L105-L125 HydrophobicContact CD1-CD2 4.23Å; K121-L125 VanDerWaalsContact O-CG 3.28Å; K121-L125 WeakPolarHBondContact O-CG 3.42Å; K121-L125 PolarHBondContact O-N 2.92Å; G122-L125 PolarHBondContact O-N 3.32Å; L125-S128 PolarHBondContact O-N 3.11Å; L125-V129 WeakPolarHBondContact O-CG2 3.44Å; L125-V129 PolarHBondContact O-N 3.01Å; L125-V129 VanDerWaalsContact O-N 3.08Å
126K95.1Very high91.3Very high147 Ų14792 Ų9264%0.63944%0.444SS*.Hα-helixtrans-59.8-49.7177.8-172-179178.6-176.60111.6G122 T123 S128 V129 E130G122-K126 WeakPolarHBondContact O-CB 3.3Å; G122-K126 PolarHBondContact O-N 3.42Å; T123-K126 PolarHBondContact O-N 2.91Å; K126-S128 VanDerWaalsContact C-N 3.31Å; K126-S128 PolarHBondContact O-N 3.38Å; K126-V129 PolarHBondContact O-N 3.36Å; K126-E130 PolarHBondContact O-N 2.96Å; K126-E130 VanDerWaalsContact O-N 3.08Å
127A94.4Very high93.2Very high23 Ų2391.7 Ų91.719%0.1944%0.44CS..Hα-helixtrans-63-37.7179.200000112.1L109 T123 I124 V129 E130 Y131L109-A127 HydrophobicContact CD1-CB 3.74Å; L109-A127 HydrophobicContact CD2-CB 4.07Å; T123-A127 WeakPolarHBondContact O-CB 3.49Å; T123-A127 PolarHBondContact O-N 3.47Å; I124-A127 PolarHBondContact O-N 3.49Å; A127-V129 VanDerWaalsContact C-N 3.34Å; A127-V129 PolarHBondContact O-N 2.88Å; A127-E130 PolarHBondContact O-N 3.38Å; A127-Y131 VanDerWaalsContact O-CB 3.29Å; A127-Y131 WeakPolarHBondContact O-CB 3.27Å; A127-Y131 PolarHBondContact O-N 3.47Å
128S96.8Very high94.8Very high10 Ų1087.9 Ų87.97%0.0742%0.422CS..Hα-helixtrans-61.5-43.8176.4-58.60000111.4I124 L125 K126 Y131 I132I124-S128 VanDerWaalsContact O-CB 3.29Å; I124-S128 WeakPolarHBondContact O-CB 3.37Å; I124-S128 PolarHBondContact O-N 2.89Å; I124-S128 PolarHBondContact O-OG 3.35Å; L125-S128 PolarHBondContact O-N 3.11Å; K126-S128 VanDerWaalsContact C-N 3.31Å; K126-S128 PolarHBondContact O-N 3.38Å; S128-Y131 PolarHBondContact O-N 2.88Å; S128-I132 WeakPolarHBondContact O-CD1 3.17Å; S128-I132 VanDerWaalsContact O-CG1 3.27Å; S128-I132 WeakPolarHBondContact O-CG1 3.43Å; S128-I132 PolarHBondContact O-N 3.44Å
129V98Very high95.8Very high68 Ų6884.6 Ų84.641%0.41241%0.41SS..Hα-helixtrans-64.3-45.6177.4174.40000111.2L125 K126 A127 Y131 I132 R133L125-V129 WeakPolarHBondContact O-CG2 3.44Å; L125-V129 PolarHBondContact O-N 3.01Å; L125-V129 VanDerWaalsContact O-N 3.08Å; K126-V129 PolarHBondContact O-N 3.36Å; A127-V129 VanDerWaalsContact C-N 3.34Å; A127-V129 PolarHBondContact O-N 2.88Å; V129-Y131 VanDerWaalsContact C-N 3.34Å; V129-Y131 PolarHBondContact O-N 2.82Å; V129-I132 PolarHBondContact O-N 3.34Å; V129-R133 VanDerWaalsContact CG1-CZ 3.5Å; V129-R133 VanDerWaalsContact CG1-NH2 3.34Å; V129-R133 WeakPolarHBondContact O-CG 2.96Å; V129-R133 PolarHBondContact O-N 3.27Å
130E96.8Very high96.7Very high98 Ų9886.7 Ų86.746%0.45842%0.422SS..Hα-helixtrans-63.4-40.6176.8-64.1-49.6148.400112.2K126 A127 I132 R133 H134K126-E130 PolarHBondContact O-N 2.96Å; K126-E130 VanDerWaalsContact O-N 3.08Å; A127-E130 PolarHBondContact O-N 3.38Å; E130-I132 PolarHBondContact O-N 3.32Å; E130-R133 WeakPolarHBondContact O-CB 3.42Å; E130-R133 PolarHBondContact O-N 3.41Å; E130-R133 VanDerWaalsContact O-N 3.17Å; E130-R133 IonicContact OE1-CZ 3.8Å; E130-R133 IonicContact OE1-NH1 2.93Å; E130-R133 PolarHBondContact OE1-NH1 2.9Å; E130-R133 IonicContact OE2-NH1 2.8Å; E130-R133 PolarHBondContact OE2-NH1 3.21Å; E130-H134 PolarHBondContact O-N 3.5Å
131Y97.4Very high97Very high75 Ų7589.9 Ų89.929%0.29443%0.427SS..Hα-helixtrans-65.6-39.3180-173.4-130.5000112.1L108 L109 P110 A127 S128 V129 R133 H134 L135L108-Y131 VanDerWaalsContact O-CE1 3.31Å; L108-Y131 WeakPolarHBondContact O-CE1 3.31Å; L109-Y131 HydrophobicContact CD2-CD1 4.27Å; L109-Y131 HydrophobicContact CD2-CG 4.4Å; P110-Y131 HydrophobicContact CG-CD2 3.68Å; P110-Y131 HydrophobicContact CG-CE1 4.38Å; P110-Y131 HydrophobicContact CG-CE2 3.47Å; P110-Y131 VanDerWaalsContact CG-CE2 3.47Å; P110-Y131 HydrophobicContact CG-CG 4.25Å; A127-Y131 VanDerWaalsContact O-CB 3.29Å; A127-Y131 WeakPolarHBondContact O-CB 3.27Å; A127-Y131 PolarHBondContact O-N 3.47Å; S128-Y131 PolarHBondContact O-N 2.88Å; V129-Y131 VanDerWaalsContact C-N 3.34Å; V129-Y131 PolarHBondContact O-N 2.82Å; Y131-R133 VanDerWaalsContact C-N 3.31Å; Y131-R133 PolarHBondContact O-N 3.47Å; Y131-H134 WeakPolarHBondContact O-CB 3.23Å; Y131-H134 PolarHBondContact O-N 2.94Å; Y131-L135 HydrophobicContact CD1-CD1 3.98Å; Y131-L135 HydrophobicContact CD1-CG 4.46Å; Y131-L135 HydrophobicContact CD2-CG 4.27Å; Y131-L135 HydrophobicContact CE1-CD1 3.67Å; Y131-L135 HydrophobicContact CE1-CD2 4.46Å; Y131-L135 HydrophobicContact CE1-CG 4.17Å; Y131-L135 HydrophobicContact CE2-CD1 4.37Å; Y131-L135 HydrophobicContact CE2-CD2 3.98Å; Y131-L135 HydrophobicContact CE2-CG 3.94Å; Y131-L135 HydrophobicContact CG-CD1 4.46Å; Y131-L135 WeakPolarHBondContact O-CG 3.46Å; Y131-L135 PolarHBondContact O-N 3.49Å
132I98.5Very high97.2Very high86 Ų8690 Ų9044%0.44143%0.432SS..Hα-helixtrans-60.4-41.2173-68.8163.3000111.1S128 V129 E130 L135 R136S128-I132 WeakPolarHBondContact O-CD1 3.17Å; S128-I132 VanDerWaalsContact O-CG1 3.27Å; S128-I132 WeakPolarHBondContact O-CG1 3.43Å; S128-I132 PolarHBondContact O-N 3.44Å; V129-I132 PolarHBondContact O-N 3.34Å; E130-I132 PolarHBondContact O-N 3.32Å; I132-L135 PolarHBondContact O-N 3.21Å; I132-R136 WeakPolarHBondContact O-CG 3.26Å; I132-R136 PolarHBondContact O-N 3.47Å; I132-R136 VanDerWaalsContact O-N 3.12Å
133R98.5Very high97.4Very high139 Ų13994.8 Ų94.853%0.52544%0.437SS..Hα-helixtrans-64.1-42.1175.7-66.1-173.1-168.1116.1-0.1111.6V129 E130 Y131 R136 K137V129-R133 VanDerWaalsContact CG1-CZ 3.5Å; V129-R133 VanDerWaalsContact CG1-NH2 3.34Å; V129-R133 WeakPolarHBondContact O-CG 2.96Å; V129-R133 PolarHBondContact O-N 3.27Å; E130-R133 WeakPolarHBondContact O-CB 3.42Å; E130-R133 PolarHBondContact O-N 3.41Å; E130-R133 VanDerWaalsContact O-N 3.17Å; E130-R133 IonicContact OE1-CZ 3.8Å; E130-R133 IonicContact OE1-NH1 2.93Å; E130-R133 PolarHBondContact OE1-NH1 2.9Å; E130-R133 IonicContact OE2-NH1 2.8Å; E130-R133 PolarHBondContact OE2-NH1 3.21Å; Y131-R133 VanDerWaalsContact C-N 3.31Å; Y131-R133 PolarHBondContact O-N 3.47Å; R133-R136 PolarHBondContact O-N 3.47Å; R133-K137 PolarHBondContact O-N 3.5Å
134H97.9Very high97.7Very high99 Ų99100.4 Ų100.446%0.45845%0.453SS..Hα-helixtrans-60.1-49.1175.7-175.3-83000111.6E130 Y131 R136 K137 D138E130-H134 PolarHBondContact O-N 3.5Å; Y131-H134 WeakPolarHBondContact O-CB 3.23Å; Y131-H134 PolarHBondContact O-N 2.94Å; H134-R136 VanDerWaalsContact C-N 3.32Å; H134-R136 PolarHBondContact O-N 3.17Å; H134-K137 WeakPolarHBondContact O-CB 3.34Å; H134-K137 PolarHBondContact O-N 3.15Å; H134-K137 VanDerWaalsContact O-N 3.1Å; H134-D138 IonicContact CE1-OD1 3.31Å; H134-D138 IonicContact CE1-OD2 3.47Å; H134-D138 PolarHBondContact CE1-OD2 3.05Å; H134-D138 IonicContact ND1-OD2 3.18Å; H134-D138 PolarHBondContact ND1-OD2 3.42Å; H134-D138 IonicContact NE2-OD2 3.88Å; H134-D138 PolarHBondContact O-N 3.43Å
135L98.5Very high97.8Very high71 Ų71103.9 Ų103.937%0.37247%0.471SS..Hα-helixtrans-58.8-40179.1-74.2175.6000112.8Y131 I132 D138 Q139Y131-L135 HydrophobicContact CD1-CD1 3.98Å; Y131-L135 HydrophobicContact CD1-CG 4.46Å; Y131-L135 HydrophobicContact CD2-CG 4.27Å; Y131-L135 HydrophobicContact CE1-CD1 3.67Å; Y131-L135 HydrophobicContact CE1-CD2 4.46Å; Y131-L135 HydrophobicContact CE1-CG 4.17Å; Y131-L135 HydrophobicContact CE2-CD1 4.37Å; Y131-L135 HydrophobicContact CE2-CD2 3.98Å; Y131-L135 HydrophobicContact CE2-CG 3.94Å; Y131-L135 HydrophobicContact CG-CD1 4.46Å; Y131-L135 WeakPolarHBondContact O-CG 3.46Å; Y131-L135 PolarHBondContact O-N 3.49Å; I132-L135 PolarHBondContact O-N 3.21Å; L135-D138 PolarHBondContact O-N 2.91Å; L135-Q139 PolarHBondContact O-N 3.49Å
136R98.4Very high97.9Very high170 Ų170104.7 Ų104.764%0.64248%0.475SS*.Hα-helixtrans-62.4-43.8174.8-73.1-179.3177.8-177.2-0.5111.9I132 R133 H134 D138 Q139 D140I132-R136 WeakPolarHBondContact O-CG 3.26Å; I132-R136 PolarHBondContact O-N 3.47Å; I132-R136 VanDerWaalsContact O-N 3.12Å; R133-R136 PolarHBondContact O-N 3.47Å; H134-R136 VanDerWaalsContact C-N 3.32Å; H134-R136 PolarHBondContact O-N 3.17Å; R136-D138 VanDerWaalsContact C-N 3.3Å; R136-D138 PolarHBondContact O-N 3.48Å; R136-Q139 PolarHBondContact O-N 3.39Å; R136-D140 PolarHBondContact O-N 3.47Å; R136-D140 VanDerWaalsContact O-N 3.13Å
137K98.5Very high98.1Very high154 Ų154101.6 Ų101.667%0.6746%0.463SS*.Hα-helixtrans-63.2-38.5176.4-172.4-179179.1-177.60111.7R133 H134 D140 R141R133-K137 PolarHBondContact O-N 3.5Å; H134-K137 WeakPolarHBondContact O-CB 3.34Å; H134-K137 PolarHBondContact O-N 3.15Å; H134-K137 VanDerWaalsContact O-N 3.1Å; K137-D140 PolarHBondContact O-N 3.5Å; K137-R141 WeakPolarHBondContact O-CB 3.46Å; K137-R141 PolarHBondContact O-N 3.21Å
138D98.4Very high98.3Very high57 Ų57106.8 Ų106.831%0.30548%0.481SS..Hα-helixtrans-68.6-39.1176.5-80.6-12.3000112.6H134 L135 R136 R141 L142H134-D138 IonicContact CE1-OD1 3.31Å; H134-D138 IonicContact CE1-OD2 3.47Å; H134-D138 PolarHBondContact CE1-OD2 3.05Å; H134-D138 IonicContact ND1-OD2 3.18Å; H134-D138 PolarHBondContact ND1-OD2 3.42Å; H134-D138 IonicContact NE2-OD2 3.88Å; H134-D138 PolarHBondContact O-N 3.43Å; L135-D138 PolarHBondContact O-N 2.91Å; R136-D138 VanDerWaalsContact C-N 3.3Å; R136-D138 PolarHBondContact O-N 3.48Å; D138-R141 PolarHBondContact O-N 3.45Å; D138-L142 VanDerWaalsContact O-CB 3.29Å; D138-L142 WeakPolarHBondContact O-CB 3.5Å; D138-L142 PolarHBondContact O-N 3.09Å
139Q98.6Very high98.4Very high140 Ų140111.1 Ų111.165%0.65450%0.501SS*.Hα-helixtrans-58.5-47.9172.9-81.3-178.7-24.800111.4L135 R136 R141 L142 Y143L135-Q139 PolarHBondContact O-N 3.49Å; R136-Q139 PolarHBondContact O-N 3.39Å; Q139-R141 VanDerWaalsContact C-N 3.3Å; Q139-R141 PolarHBondContact O-N 2.95Å; Q139-L142 PolarHBondContact O-N 3.03Å; Q139-Y143 WeakPolarHBondContact O-CB 3.45Å; Q139-Y143 PolarHBondContact O-N 3.03Å
140D98.6Very high98.4Very high89 Ų89111.7 Ų111.748%0.47650%0.501SS..Hα-helixtrans-61.4-39.3176.5-76.9-12.9000112.5R136 K137 R144R136-D140 PolarHBondContact O-N 3.47Å; R136-D140 VanDerWaalsContact O-N 3.13Å; K137-D140 PolarHBondContact O-N 3.5Å; D140-R144 WeakPolarHBondContact O-CG 3.34Å; D140-R144 PolarHBondContact O-N 3.12Å; D140-R144 VanDerWaalsContact O-N 3.16Å; D140-R144 PolarHBondContact O-NE 3.31Å
141R98.6Very high98.4Very high158 Ų158110.8 Ų110.860%0.59650%0.502SS*.Hα-helixtrans-66.1-46.3176.5180-175.7173.7-155.7-1.8110.9K137 D138 Q139 Y143 R144 L145K137-R141 WeakPolarHBondContact O-CB 3.46Å; K137-R141 PolarHBondContact O-N 3.21Å; D138-R141 PolarHBondContact O-N 3.45Å; Q139-R141 VanDerWaalsContact C-N 3.3Å; Q139-R141 PolarHBondContact O-N 2.95Å; R141-Y143 VanDerWaalsContact C-N 3.32Å; R141-Y143 PolarHBondContact O-N 3.42Å; R141-R144 PolarHBondContact O-N 2.96Å; R141-L145 HydrophobicContact CG-CD1 4.19Å; R141-L145 WeakPolarHBondContact O-CG 3.31Å; R141-L145 PolarHBondContact O-N 3.18Å
142L98.7Very high98.5Very high119 Ų119111.5 Ų111.562%0.62351%0.511SS*.Hα-helixtrans-62.5-41.5179.9-175.163.1000110.9D138 Q139 R144 L145 L146D138-L142 VanDerWaalsContact O-CB 3.29Å; D138-L142 WeakPolarHBondContact O-CB 3.5Å; D138-L142 PolarHBondContact O-N 3.09Å; Q139-L142 PolarHBondContact O-N 3.03Å; L142-R144 PolarHBondContact O-N 3.48Å; L142-L145 PolarHBondContact O-N 3.41Å; L142-L146 WeakPolarHBondContact O-CB 3.44Å; L142-L146 PolarHBondContact O-N 3.49Å
143Y98.6Very high98.5Very high147 Ų147112.4 Ų112.458%0.57651%0.513SS*.Hα-helixtrans-58.6-47.1173.5-178.3-99.5000112.1Q139 R141 L145 L146 Q147Q139-Y143 WeakPolarHBondContact O-CB 3.45Å; Q139-Y143 PolarHBondContact O-N 3.03Å; R141-Y143 VanDerWaalsContact C-N 3.32Å; R141-Y143 PolarHBondContact O-N 3.42Å; Y143-L145 VanDerWaalsContact C-N 3.34Å; Y143-L145 PolarHBondContact O-N 3.16Å; Y143-L146 PolarHBondContact O-N 3.29Å; Y143-Q147 HydrophobicContact CD1-CG 4.4Å; Y143-Q147 HydrophobicContact CE1-CG 4Å; Y143-Q147 WeakPolarHBondContact O-CG 3.36Å; Y143-Q147 PolarHBondContact O-N 3.41Å
144R98.5Very high98.4Very high166 Ų166111.3 Ų111.363%0.62651%0.514SS*.Hα-helixtrans-62.2-39.1176.3-75.1179.5-113.4-103.93113D140 R141 L142 Q147 K148D140-R144 WeakPolarHBondContact O-CG 3.34Å; D140-R144 PolarHBondContact O-N 3.12Å; D140-R144 VanDerWaalsContact O-N 3.16Å; D140-R144 PolarHBondContact O-NE 3.31Å; R141-R144 PolarHBondContact O-N 2.96Å; L142-R144 PolarHBondContact O-N 3.48Å; R144-Q147 PolarHBondContact O-N 2.98Å; R144-K148 WeakPolarHBondContact O-CB 3.49Å; R144-K148 PolarHBondContact O-N 3.15Å
145L98.7Very high98.4Very high87 Ų87110.6 Ų110.646%0.45551%0.511SS..Hα-helixtrans-65.8-41.8176.8-73173.6000111.6R141 L142 Y143 K148 Q149R141-L145 HydrophobicContact CG-CD1 4.19Å; R141-L145 WeakPolarHBondContact O-CG 3.31Å; R141-L145 PolarHBondContact O-N 3.18Å; L142-L145 PolarHBondContact O-N 3.41Å; Y143-L145 VanDerWaalsContact C-N 3.34Å; Y143-L145 PolarHBondContact O-N 3.16Å; L145-K148 PolarHBondContact O-N 2.97Å; L145-Q149 WeakPolarHBondContact O-CB 3.28Å; L145-Q149 PolarHBondContact O-N 2.98Å
146L98.6Very high98.4Very high96 Ų96111.4 Ų111.450%0.50352%0.515SS..Hα-helixtrans-61.2-44.9175.5-17964.8000111.7L142 Y143 K148 Q149 L150L142-L146 WeakPolarHBondContact O-CB 3.44Å; L142-L146 PolarHBondContact O-N 3.49Å; Y143-L146 PolarHBondContact O-N 3.29Å; L146-K148 PolarHBondContact O-N 3.37Å; L146-Q149 WeakPolarHBondContact O-CB 3.37Å; L146-Q149 PolarHBondContact O-N 3.15Å; L146-L150 PolarHBondContact O-N 2.92Å
147Q98.5Very high98.3Very high81 Ų81109.5 Ų109.538%0.37951%0.512SS..Hα-helixtrans-61.2-44.4175.6-67-57.6-45.600111.7Y143 R144 Q149 L150 T151Y143-Q147 HydrophobicContact CD1-CG 4.4Å; Y143-Q147 HydrophobicContact CE1-CG 4Å; Y143-Q147 WeakPolarHBondContact O-CG 3.36Å; Y143-Q147 PolarHBondContact O-N 3.41Å; R144-Q147 PolarHBondContact O-N 2.98Å; Q147-Q149 VanDerWaalsContact C-N 3.32Å; Q147-Q149 PolarHBondContact O-N 3.25Å; Q147-L150 PolarHBondContact O-N 3.23Å; Q147-T151 PolarHBondContact O-N 3.4Å; Q147-T151 VanDerWaalsContact O-N 3.08Å; Q147-T151 PolarHBondContact O-OG1 3.23Å
148K98.5Very high98.2Very high132 Ų132107.1 Ų107.157%0.57450%0.499SS*.Hα-helixtrans-61.8-40.3176.3-172.9179.2-179.5-178.40111.9R144 L145 L146 T151 L152R144-K148 WeakPolarHBondContact O-CB 3.49Å; R144-K148 PolarHBondContact O-N 3.15Å; L145-K148 PolarHBondContact O-N 2.97Å; L146-K148 PolarHBondContact O-N 3.37Å; K148-T151 PolarHBondContact O-N 2.9Å; K148-L152 HydrophobicContact CG-CD1 4.17Å; K148-L152 WeakPolarHBondContact O-CB 3.4Å; K148-L152 VanDerWaalsContact O-CG 3.31Å; K148-L152 WeakPolarHBondContact O-CG 3.22Å; K148-L152 PolarHBondContact O-N 3.41Å
149Q98.7Very high98.1Very high102 Ų102108 Ų10848%0.47750%0.503SS..Hα-helixtrans-60.5-48.2176.4-179.6-179.4-0.900110.9L145 L146 Q147 T151 L152 E153L145-Q149 WeakPolarHBondContact O-CB 3.28Å; L145-Q149 PolarHBondContact O-N 2.98Å; L146-Q149 WeakPolarHBondContact O-CB 3.37Å; L146-Q149 PolarHBondContact O-N 3.15Å; Q147-Q149 VanDerWaalsContact C-N 3.32Å; Q147-Q149 PolarHBondContact O-N 3.25Å; Q149-T151 VanDerWaalsContact C-N 3.34Å; Q149-T151 PolarHBondContact O-N 2.95Å; Q149-L152 PolarHBondContact O-N 3.39Å; Q149-L152 VanDerWaalsContact O-N 3.14Å; Q149-E153 HydrophobicContact CG-CG 4.43Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.38Å; Q149-E153 PolarHBondContact NE2-OE1 3.37Å; Q149-E153 WeakPolarHBondContact O-CG 3.22Å; Q149-E153 PolarHBondContact O-N 2.93Å
150L98.4Very high98Very high80 Ų80107.8 Ų107.842%0.41950%0.502SS..Hα-helixtrans-58.6-44.3178.2-179.862.2000112.1L146 Q147 E153 Q154L146-L150 PolarHBondContact O-N 2.92Å; Q147-L150 PolarHBondContact O-N 3.23Å; L150-E153 PolarHBondContact O-N 2.82Å; L150-Q154 WeakPolarHBondContact O-CG 3.46Å; L150-Q154 PolarHBondContact O-N 3.39Å
151T98.2Very high97.8Very high78 Ų78108.5 Ų108.548%0.47950%0.502SS..Hα-helixtrans-62.8-42175.9-53.60000112Q147 K148 Q149 Q154 E155Q147-T151 PolarHBondContact O-N 3.4Å; Q147-T151 VanDerWaalsContact O-N 3.08Å; Q147-T151 PolarHBondContact O-OG1 3.23Å; K148-T151 PolarHBondContact O-N 2.9Å; Q149-T151 VanDerWaalsContact C-N 3.34Å; Q149-T151 PolarHBondContact O-N 2.95Å; T151-Q154 PolarHBondContact O-N 2.92Å; T151-E155 PolarHBondContact O-N 2.73Å
152L98.4Very high97.6Very high91 Ų91108.5 Ų108.548%0.47650%0.502SS..Hα-helixtrans-66.5-37.6177.7-73.3172.3000112.2K148 Q149 E155 N156K148-L152 HydrophobicContact CG-CD1 4.17Å; K148-L152 WeakPolarHBondContact O-CB 3.4Å; K148-L152 VanDerWaalsContact O-CG 3.31Å; K148-L152 WeakPolarHBondContact O-CG 3.22Å; K148-L152 PolarHBondContact O-N 3.41Å; Q149-L152 PolarHBondContact O-N 3.39Å; Q149-L152 VanDerWaalsContact O-N 3.14Å; L152-E155 PolarHBondContact O-N 2.89Å; L152-N156 VanDerWaalsContact O-CB 3.29Å; L152-N156 WeakPolarHBondContact O-CB 3.5Å; L152-N156 PolarHBondContact O-N 2.94Å; L152-N156 PolarHBondContact O-ND2 3.26Å
153E98.1Very high97.4Very high104 Ų104107.7 Ų107.749%0.48650%0.502SS..Hα-helixtrans-65.2-41175.9-74.4173.1-174.200111.5Q149 L150 N156 K157Q149-E153 HydrophobicContact CG-CG 4.43Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.38Å; Q149-E153 PolarHBondContact NE2-OE1 3.37Å; Q149-E153 WeakPolarHBondContact O-CG 3.22Å; Q149-E153 PolarHBondContact O-N 2.93Å; L150-E153 PolarHBondContact O-N 2.82Å; E153-N156 PolarHBondContact O-N 3.42Å; E153-K157 WeakPolarHBondContact O-CB 3.31Å; E153-K157 PolarHBondContact O-N 3.42Å
154Q97.7Very high97Very high117 Ų117106 Ų10655%0.54750%0.5SS..Hα-helixtrans-62.8-47.3174.4-71.9173.2-600112.2L150 T151 K157 R158L150-Q154 WeakPolarHBondContact O-CG 3.46Å; L150-Q154 PolarHBondContact O-N 3.39Å; T151-Q154 PolarHBondContact O-N 2.92Å; Q154-K157 PolarHBondContact O-N 2.82Å; Q154-R158 PolarHBondContact O-N 3.49Å
155E97.4Very high96.6Very high84 Ų84102.3 Ų102.339%0.39350%0.495SS..Hα-helixtrans-64.5-41.8177.1-77.2-59.1138.700112T151 L152 K157 R158 L159T151-E155 PolarHBondContact O-N 2.73Å; L152-E155 PolarHBondContact O-N 2.89Å; E155-K157 PolarHBondContact O-N 3.04Å; E155-R158 PolarHBondContact O-N 3Å; E155-R158 IonicContact OE1-NE 3.04Å; E155-R158 IonicContact OE2-CZ 3.16Å; E155-R158 VanDerWaalsContact OE2-CZ 3.31Å; E155-R158 IonicContact OE2-NE 3.33Å; E155-R158 PolarHBondContact OE2-NE 3.25Å; E155-R158 IonicContact OE2-NH2 2.9Å; E155-R158 PolarHBondContact OE2-NH2 3.46Å; E155-L159 WeakPolarHBondContact O-CB 3.33Å; E155-L159 VanDerWaalsContact O-CG 3.27Å; E155-L159 WeakPolarHBondContact O-CG 3.3Å; E155-L159 PolarHBondContact O-N 3.01Å
156N97.6Very high96.1Very high88 Ų88101.4 Ų101.447%0.47150%0.496SS..Hα-helixtrans-61.5-43.3175.7-83.8-58.8000111.8L152 E153 R158 L159 Q160L152-N156 VanDerWaalsContact O-CB 3.29Å; L152-N156 WeakPolarHBondContact O-CB 3.5Å; L152-N156 PolarHBondContact O-N 2.94Å; L152-N156 PolarHBondContact O-ND2 3.26Å; E153-N156 PolarHBondContact O-N 3.42Å; N156-R158 PolarHBondContact O-N 3.29Å; N156-L159 PolarHBondContact O-N 3.46Å; N156-Q160 WeakPolarHBondContact O-CG 3.17Å; N156-Q160 PolarHBondContact O-N 3.5Å
157K97.3Very high95.6Very high130 Ų130105.1 Ų105.157%0.56551%0.505SS*.Hα-helixtrans-59.4-47.5175.2-176.9-178.4176.1-174.30111.3E153 Q154 E155 L159 Q160 E161E153-K157 WeakPolarHBondContact O-CB 3.31Å; E153-K157 PolarHBondContact O-N 3.42Å; Q154-K157 PolarHBondContact O-N 2.82Å; E155-K157 PolarHBondContact O-N 3.04Å; K157-L159 VanDerWaalsContact C-N 3.29Å; K157-L159 PolarHBondContact O-N 2.83Å; K157-Q160 WeakPolarHBondContact O-CB 3.29Å; K157-Q160 PolarHBondContact O-N 3.41Å; K157-E161 VanDerWaalsContact CE-OE1 3.25Å; K157-E161 WeakPolarHBondContact CE-OE1 3.39Å; K157-E161 WeakPolarHBondContact O-CG 3.42Å; K157-E161 PolarHBondContact O-N 3.1Å
158R96.6Very high94.8Very high104 Ų104106.8 Ų106.839%0.39252%0.515SS..Hα-helixtrans-59.5-39.5176.9-171.6-170.668.281.40.2112Q154 E155 N156 R162Q154-R158 PolarHBondContact O-N 3.49Å; E155-R158 PolarHBondContact O-N 3Å; E155-R158 IonicContact OE1-NE 3.04Å; E155-R158 IonicContact OE2-CZ 3.16Å; E155-R158 VanDerWaalsContact OE2-CZ 3.31Å; E155-R158 IonicContact OE2-NE 3.33Å; E155-R158 PolarHBondContact OE2-NE 3.25Å; E155-R158 IonicContact OE2-NH2 2.9Å; E155-R158 PolarHBondContact OE2-NH2 3.46Å; N156-R158 PolarHBondContact O-N 3.29Å; R158-R162 WeakPolarHBondContact O-CG 3.5Å; R158-R162 PolarHBondContact O-N 2.94Å
159L96.3Very high93.9Very high74 Ų74105.7 Ų105.739%0.38752%0.523SS..Hα-helixtrans-68.9-40.3176.5-70.3173.2000112.1E155 N156 K157 E161 R162 V163E155-L159 WeakPolarHBondContact O-CB 3.33Å; E155-L159 VanDerWaalsContact O-CG 3.27Å; E155-L159 WeakPolarHBondContact O-CG 3.3Å; E155-L159 PolarHBondContact O-N 3.01Å; N156-L159 PolarHBondContact O-N 3.46Å; K157-L159 VanDerWaalsContact C-N 3.29Å; K157-L159 PolarHBondContact O-N 2.83Å; L159-E161 VanDerWaalsContact C-N 3.35Å; L159-E161 PolarHBondContact O-N 3Å; L159-R162 PolarHBondContact O-N 3.21Å; L159-V163 WeakPolarHBondContact O-CG2 3.21Å; L159-V163 PolarHBondContact O-N 3.23Å
160Q95.9Very high92.3Very high137 Ų137110.8 Ų110.864%0.6455%0.547SS*.Hα-helixtrans-61.1-42.5174.7-74.8174.6-12.600111.9N156 K157 R162 V163 H164N156-Q160 WeakPolarHBondContact O-CG 3.17Å; N156-Q160 PolarHBondContact O-N 3.5Å; K157-Q160 WeakPolarHBondContact O-CB 3.29Å; K157-Q160 PolarHBondContact O-N 3.41Å; Q160-R162 VanDerWaalsContact C-N 3.33Å; Q160-R162 PolarHBondContact O-N 3.42Å; Q160-V163 PolarHBondContact O-N 2.99Å; Q160-H164 WeakPolarHBondContact O-CB 3.23Å; Q160-H164 PolarHBondContact O-N 3.11Å
161E94.9Very high92Very high104 Ų104112.4 Ų112.449%0.48655%0.553SS.*Hα-helixtrans-60.4-42.2174.6-71.7169.6-175.600111.5K157 L159 H164 V165K157-E161 VanDerWaalsContact CE-OE1 3.25Å; K157-E161 WeakPolarHBondContact CE-OE1 3.39Å; K157-E161 WeakPolarHBondContact O-CG 3.42Å; K157-E161 PolarHBondContact O-N 3.1Å; L159-E161 VanDerWaalsContact C-N 3.35Å; L159-E161 PolarHBondContact O-N 3Å; E161-H164 PolarHBondContact O-N 2.92Å; E161-V165 WeakPolarHBondContact O-CG2 3.43Å; E161-V165 PolarHBondContact O-N 3.48Å
162R94Very high91.7Very high157 Ų157114.2 Ų114.259%0.59256%0.557SS**Hα-helixtrans-63.5-41.9176.2-73179.865.6-1621.5113R158 L159 Q160 S166R158-R162 WeakPolarHBondContact O-CG 3.5Å; R158-R162 PolarHBondContact O-N 2.94Å; L159-R162 PolarHBondContact O-N 3.21Å; Q160-R162 VanDerWaalsContact C-N 3.33Å; Q160-R162 PolarHBondContact O-N 3.42Å; R162-S166 PolarHBondContact O-N 3.35Å; R162-S166 VanDerWaalsContact O-N 3.09Å
163V93.8Very high91.3Very high103 Ų103115.4 Ų115.462%0.62456%0.562SS**Hα-helixtrans-66.4-42.6176.9172.70000110.5L159 Q160 S166 Y167L159-V163 WeakPolarHBondContact O-CG2 3.21Å; L159-V163 PolarHBondContact O-N 3.23Å; Q160-V163 PolarHBondContact O-N 2.99Å; V163-S166 WeakPolarHBondContact O-CB 3.38Å; V163-S166 PolarHBondContact O-N 3.43Å; V163-Y167 PolarHBondContact O-N 2.86Å
164H91.7Very high90.9Very high112 Ų112116.1 Ų116.152%0.51957%0.566SS.*Hα-helixtrans-62.4-44.5178.4-175.760.8000112.4Q160 E161 S166 Y167 L168Q160-H164 WeakPolarHBondContact O-CB 3.23Å; Q160-H164 PolarHBondContact O-N 3.11Å; E161-H164 PolarHBondContact O-N 2.92Å; H164-S166 VanDerWaalsContact C-N 3.34Å; H164-S166 PolarHBondContact O-N 3.46Å; H164-Y167 PolarHBondContact O-N 2.67Å; H164-L168 PolarHBondContact O-N 3.16Å; H164-L168 VanDerWaalsContact O-N 3.14Å
165V90.2Very high90.5Very high87 Ų87116.1 Ų116.153%0.52757%0.568SS.*Hα-helixtrans-62.7-40.3175172.60000111.5E161 Y167 L168 C169E161-V165 WeakPolarHBondContact O-CG2 3.43Å; E161-V165 PolarHBondContact O-N 3.48Å; V165-Y167 VanDerWaalsContact C-N 3.31Å; V165-Y167 PolarHBondContact O-N 2.94Å; V165-L168 PolarHBondContact O-N 3.17Å; V165-C169 PolarHBondContact O-N 3.19Å; V165-C169 PolarHBondContact O-SG 3.21Å; V165-C169 VanDerWaalsContact O-SG 3.37Å
166S88.3Confident90Very high69 Ų69118.2 Ų118.248%0.48358%0.579SS.*Hα-helixtrans-60.5-41.4176.2-163.80000112.1R162 V163 H164 C169R162-S166 PolarHBondContact O-N 3.35Å; R162-S166 VanDerWaalsContact O-N 3.09Å; V163-S166 WeakPolarHBondContact O-CB 3.38Å; V163-S166 PolarHBondContact O-N 3.43Å; H164-S166 VanDerWaalsContact C-N 3.34Å; H164-S166 PolarHBondContact O-N 3.46Å; S166-C169 PolarHBondContact O-N 3.29Å
167Y87.8Confident89.5Confident174 Ų174120.4 Ų120.468%0.68259%0.587SS**Hα-helixtrans-69.1-30179.2-176.1-97.8000113.4V163 H164 V165V163-Y167 PolarHBondContact O-N 2.86Å; H164-Y167 PolarHBondContact O-N 2.67Å; V165-Y167 VanDerWaalsContact C-N 3.31Å; V165-Y167 PolarHBondContact O-N 2.94Å
168L81.7Confident88.9Confident115 Ų115119.6 Ų119.660%0.60259%0.589SS**Hα-helixtrans-78.9-17.3177.1-71.9175.5000114H164 V165H164-L168 PolarHBondContact O-N 3.16Å; H164-L168 VanDerWaalsContact O-N 3.14Å; V165-L168 PolarHBondContact O-N 3.17Å
169C78.1Confident88.2Confident109 Ų109120.9 Ų120.974%0.73661%0.605SS**THydrogen-bonded Turntrans-92-5.1179-69.80000113.4V165 S166V165-C169 PolarHBondContact O-N 3.19Å; V165-C169 PolarHBondContact O-SG 3.21Å; V165-C169 VanDerWaalsContact O-SG 3.37Å; S166-C169 PolarHBondContact O-N 3.29Å
170E65.9Low87.5Confident210 Ų210125.2 Ų125.298%0.98163%0.625SS**  trans-97.70173.2-70178.4-17500110.8

Retrieved 170 of 170 residues in 220.4 ms (Link to these results)

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