A0A096NHV9_PAPAN Loading...

Cardiotrophin-1

Induces cardiac myocyte hypertrophy in vitro. Binds to and activates the ILST/gp130 receptor.

AlphaFold DB (A0A5F8ATV1), UniProt , Accession A0A096NHV9, Species PAPAN (Papio anubis, Olive baboon), Gene CTF1, Length 201 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.6Very low47Very low239 Ų239156.5 Ų156.5100%1.17780%0.8SS**  0101.90-68.7-70.8176.900108
2S43Very low47.1Very low133 Ų133156.2 Ų156.293%0.9379%0.793SS**  trans-172.3135.1141.5-101.40000110.9
3R44.3Very low47Very low215 Ų215148.8 Ų148.881%0.81177%0.77SS**  trans-59141.1-160.4-78.5168.2167.7176-4.2115.1
4R55.8Low46.8Very low245 Ų245147.1 Ų147.193%0.92576%0.763SS**  trans-67.6129146.1-74.5172.7170165.3-4.6108.1
5E46.2Very low47Very low165 Ų165141.9 Ų141.977%0.77175%0.745SS**  trans-129.292.9156-71.6-174.8139.900106.7N7E5-N7 PolarHBondContact O-N 3.15Å
6G42.7Very low47.2Very low65 Ų65137.1 Ų137.167%0.6773%0.726SS**  trans-77.8111.2165.700000107.4L8G6-L8 PolarHBondContact O-N 3.46Å; G6-L8 VanDerWaalsContact O-N 3.13Å
7N45.3Very low47.7Very low128 Ų128135.1 Ų135.168%0.68472%0.72SS**  trans-65.3103.1168.1-163.534.9000107.5E5 E9E5-N7 PolarHBondContact O-N 3.15Å; N7-E9 VanDerWaalsContact C-N 3.27Å; N7-E9 PolarHBondContact ND2-OE2 3.49Å; N7-E9 PolarHBondContact O-N 3.29Å; N7-E9 VanDerWaalsContact O-N 3.13Å
8L48Very low48.3Very low162 Ų162132.7 Ų132.785%0.84872%0.716SS**  trans-76.687.8163.8-85.9102.3000107G6 D10G6-L8 PolarHBondContact O-N 3.46Å; G6-L8 VanDerWaalsContact O-N 3.13Å; L8-D10 PolarHBondContact O-N 2.88Å
9E50Low49.3Very low150 Ų150131.5 Ų131.570%0.70171%0.708SS**  trans-66.6119.3158.4-85.4157.683.500107.8N7 P11N7-E9 VanDerWaalsContact C-N 3.27Å; N7-E9 PolarHBondContact ND2-OE2 3.49Å; N7-E9 PolarHBondContact O-N 3.29Å; N7-E9 VanDerWaalsContact O-N 3.13Å; E9-P11 WeakPolarHBondContact O-CD 3.45Å
10D44.9Very low50.4Low123 Ų123130.8 Ų130.866%0.65870%0.704SS**  trans-70.6107.7177-103.2-49.4000110.1L8 Q12L8-D10 PolarHBondContact O-N 2.88Å; D10-Q12 PolarHBondContact O-N 3.25Å
11P51.3Low51.8Low96 Ų96128.4 Ų128.462%0.62370%0.695SS**Hα-helixtrans-70-4.5179.429.3-34.8000113.6E9 S15E9-P11 WeakPolarHBondContact O-CD 3.45Å; P11-S15 PolarHBondContact O-OG 3.3Å; P11-S15 VanDerWaalsContact O-OG 3.04Å
12Q48.2Very low53.6Low153 Ų153123.1 Ų123.172%0.71567%0.667SS**Hα-helixtrans-81.2-27.9-175.9-164.6160.2-87.900112.8D10 S16D10-Q12 PolarHBondContact O-N 3.25Å; Q12-S16 PolarHBondContact O-N 3.45Å; Q12-S16 PolarHBondContact O-OG 3.21Å
13A46.2Very low55.7Low60 Ų60118.1 Ų118.150%0.49663%0.63SS.*Hα-helixtrans-71.7-46.3177.300000111.8S15 S16 V17A13-S15 PolarHBondContact O-N 2.94Å; A13-S16 PolarHBondContact O-N 3.04Å; A13-V17 WeakPolarHBondContact O-CG2 3.4Å; A13-V17 PolarHBondContact O-N 3.21Å
14D44.3Very low57.8Low125 Ų125112.1 Ų112.167%0.66861%0.611SS**Hα-helixtrans-68-33.3-179.4-74.3-31.9000113.1S16 V17 S18D14-S16 VanDerWaalsContact C-N 3.32Å; D14-S16 PolarHBondContact O-N 3.49Å; D14-V17 PolarHBondContact O-N 2.77Å; D14-S18 PolarHBondContact O-N 2.86Å
15S50.1Low59.5Low70 Ų70103 Ų10349%0.4959%0.589SS.*Hα-helixtrans-65.5-35.3174.2-63.10000112.3P11 A13 L19P11-S15 PolarHBondContact O-OG 3.3Å; P11-S15 VanDerWaalsContact O-OG 3.04Å; A13-S15 PolarHBondContact O-N 2.94Å; S15-L19 VanDerWaalsContact O-CD1 3.27Å; S15-L19 WeakPolarHBondContact O-CD1 3.49Å; S15-L19 WeakPolarHBondContact O-CG 3.47Å; S15-L19 PolarHBondContact O-N 3.47Å
16S50.1Low61.7Low65 Ų6597.3 Ų97.346%0.45556%0.561SS.*Hα-helixtrans-72.9-32.5-178.8-59.80000112Q12 A13 D14Q12-S16 PolarHBondContact O-N 3.45Å; Q12-S16 PolarHBondContact O-OG 3.21Å; A13-S16 PolarHBondContact O-N 3.04Å; D14-S16 VanDerWaalsContact C-N 3.32Å; D14-S16 PolarHBondContact O-N 3.49Å
17V54.6Low64.1Low103 Ų10394.9 Ų94.962%0.62453%0.533SS*.Hα-helixtrans-71.8-32.3178.5176.70000112A13 D14 P21A13-V17 WeakPolarHBondContact O-CG2 3.4Å; A13-V17 PolarHBondContact O-N 3.21Å; D14-V17 PolarHBondContact O-N 2.77Å; V17-P21 VanDerWaalsContact O-CD 3.25Å; V17-P21 WeakPolarHBondContact O-CD 3.32Å
18S60Low66.4Low92 Ų9295.6 Ų95.664%0.64353%0.526SS*.Hα-helixtrans-77.2-25.9177.6-163.30000113.7D14D14-S18 PolarHBondContact O-N 2.86Å
19L65.9Low68.7Low109 Ų10994.7 Ų94.757%0.57152%0.517SS*.Hα-helixtrans-77.3-31.5-176.2-73.3165.9000113.8S15 H22 L23S15-L19 VanDerWaalsContact O-CD1 3.27Å; S15-L19 WeakPolarHBondContact O-CD1 3.49Å; S15-L19 WeakPolarHBondContact O-CG 3.47Å; S15-L19 PolarHBondContact O-N 3.47Å; L19-H22 PolarHBondContact O-N 3.44Å; L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 PolarHBondContact O-N 3.38Å
20L71.8Confident70.9Confident118 Ų11887.8 Ų87.862%0.61849%0.485SS*.Hα-helixtrans-64.5-50.1-176.3-79.7165.5000113.2H22 L23 E24L20-H22 VanDerWaalsContact C-N 3.3Å; L20-H22 PolarHBondContact O-N 3.02Å; L20-L23 PolarHBondContact O-N 3.18Å; L20-E24 PolarHBondContact O-N 3.07Å
21P79.9Confident73.4Confident81 Ų8184 Ų8453%0.52646%0.464SS..Hα-helixtrans-63.2-35.2176.1-22.633.6000113V17 A25V17-P21 VanDerWaalsContact O-CD 3.25Å; V17-P21 WeakPolarHBondContact O-CD 3.32Å; P21-A25 WeakPolarHBondContact O-CB 3.42Å; P21-A25 PolarHBondContact O-N 3.44Å
22H83.7Confident75.6Confident127 Ų12783 Ų8359%0.58846%0.459SS*.Hα-helixtrans-67.7-42.7178-176.371.6000111.8L19 L20 A25 K26L19-H22 PolarHBondContact O-N 3.44Å; L20-H22 VanDerWaalsContact C-N 3.3Å; L20-H22 PolarHBondContact O-N 3.02Å; H22-A25 PolarHBondContact O-N 3.49Å; H22-K26 WeakPolarHBondContact O-CB 3.38Å; H22-K26 PolarHBondContact O-N 3.11Å
23L86.6Confident77.9Confident29 Ų2978.7 Ų78.715%0.15244%0.44CS..Hα-helixtrans-63.5-44.9175.2177.959.3000111.3L19 L20 A25 K26 I27 L139 A142 L143L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 PolarHBondContact O-N 3.38Å; L20-L23 PolarHBondContact O-N 3.18Å; L23-A25 PolarHBondContact O-N 2.97Å; L23-K26 WeakPolarHBondContact O-CB 3.45Å; L23-K26 PolarHBondContact O-N 3.1Å; L23-K26 VanDerWaalsContact O-N 3.14Å; L23-I27 HydrophobicContact CD1-CD1 4.31Å; L23-I27 HydrophobicContact CD1-CG1 4.36Å; L23-I27 HydrophobicContact CG-CD1 4.06Å; L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.09Å; L23-I27 PolarHBondContact O-N 3.43Å; L23-L139 HydrophobicContact CD1-CD2 4.02Å; L23-A142 HydrophobicContact CD1-CB 3.87Å; L23-L143 HydrophobicContact CD2-CD2 3.88Å
24E89.3Confident80.4Confident89 Ų8975.9 Ų75.942%0.41642%0.417SS..Hα-helixtrans-60.3-45177-165.7-169.1153.100111.7L20 K26 I27 R28L20-E24 PolarHBondContact O-N 3.07Å; E24-K26 VanDerWaalsContact C-N 3.28Å; E24-K26 PolarHBondContact O-N 3.18Å; E24-I27 PolarHBondContact O-N 3.33Å; E24-R28 WeakPolarHBondContact O-CG 3.39Å; E24-R28 PolarHBondContact O-N 3.07Å; E24-R28 IonicContact OE1-CZ 2.84Å; E24-R28 VanDerWaalsContact OE1-CZ 3.26Å; E24-R28 IonicContact OE1-NE 3.15Å; E24-R28 PolarHBondContact OE1-NE 2.86Å; E24-R28 IonicContact OE1-NH2 3.21Å; E24-R28 PolarHBondContact OE1-NH2 3.28Å
25A90.2Very high83Confident54 Ų5473.3 Ų73.345%0.44640%0.401SS..Hα-helixtrans-58.6-41174.800000111.8P21 H22 L23 R28 Q29P21-A25 WeakPolarHBondContact O-CB 3.42Å; P21-A25 PolarHBondContact O-N 3.44Å; H22-A25 PolarHBondContact O-N 3.49Å; L23-A25 PolarHBondContact O-N 2.97Å; A25-R28 PolarHBondContact O-N 3.47Å; A25-Q29 WeakPolarHBondContact O-CB 3.48Å; A25-Q29 PolarHBondContact O-N 3.3Å
26K92.2Very high85.3Confident44 Ų4473.3 Ų73.319%0.19140%0.395CS..Hα-helixtrans-66.8-38.4176.8-165.1173.1-177.3-71.20112.3H22 L23 E24 T30 A135 A138 L139H22-K26 WeakPolarHBondContact O-CB 3.38Å; H22-K26 PolarHBondContact O-N 3.11Å; L23-K26 WeakPolarHBondContact O-CB 3.45Å; L23-K26 PolarHBondContact O-N 3.1Å; L23-K26 VanDerWaalsContact O-N 3.14Å; E24-K26 VanDerWaalsContact C-N 3.28Å; E24-K26 PolarHBondContact O-N 3.18Å; K26-T30 WeakPolarHBondContact O-CB 3.41Å; K26-T30 PolarHBondContact O-N 3.31Å; K26-T30 PolarHBondContact O-OG1 2.97Å; K26-A135 PolarHBondContact NZ-O 2.8Å; K26-A138 VanDerWaalsContact NZ-C 3.29Å; K26-L139 HydrophobicContact CB-CD2 3.97Å; K26-L139 HydrophobicContact CD-CD2 3.99Å; K26-L139 HydrophobicContact CG-CD2 3.69Å; K26-L139 HydrophobicContact CG-CG 4.42Å
27I92.8Very high87.6Confident14 Ų1470.4 Ų70.47%0.07237%0.374CS..Hα-helixtrans-63.5-49.1174.5-64.2164.9000109.3L23 E24 Q29 T30 H31 L139 L195 L196L23-I27 HydrophobicContact CD1-CD1 4.31Å; L23-I27 HydrophobicContact CD1-CG1 4.36Å; L23-I27 HydrophobicContact CG-CD1 4.06Å; L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.09Å; L23-I27 PolarHBondContact O-N 3.43Å; E24-I27 PolarHBondContact O-N 3.33Å; I27-Q29 PolarHBondContact O-N 3.25Å; I27-T30 PolarHBondContact O-N 3.26Å; I27-H31 WeakPolarHBondContact O-CB 3.38Å; I27-H31 PolarHBondContact O-N 3.47Å; I27-L139 HydrophobicContact CG1-CD1 4.41Å; I27-L139 HydrophobicContact CG1-CD2 3.7Å; I27-L195 HydrophobicContact CD1-CB 4.46Å; I27-L195 HydrophobicContact CD1-CD1 4.44Å; I27-L195 HydrophobicContact CG1-CD1 4.5Å; I27-L195 HydrophobicContact CG2-CB 3.88Å; I27-L195 HydrophobicContact CG2-CD1 4.38Å; I27-L196 HydrophobicContact CB-CD2 4.1Å; I27-L196 HydrophobicContact CG2-CD2 3.5Å; I27-L196 HydrophobicContact CG2-CG 3.78Å
28R95.3Very high89.6Confident144 Ų14466.4 Ų66.454%0.54335%0.35SS..Hα-helixtrans-57.4-48177.4-71.6178.4-176.3-117.34.4111.7E24 A25 T30 H31 S32 L196E24-R28 WeakPolarHBondContact O-CG 3.39Å; E24-R28 PolarHBondContact O-N 3.07Å; E24-R28 IonicContact OE1-CZ 2.84Å; E24-R28 VanDerWaalsContact OE1-CZ 3.26Å; E24-R28 IonicContact OE1-NE 3.15Å; E24-R28 PolarHBondContact OE1-NE 2.86Å; E24-R28 IonicContact OE1-NH2 3.21Å; E24-R28 PolarHBondContact OE1-NH2 3.28Å; A25-R28 PolarHBondContact O-N 3.47Å; R28-T30 PolarHBondContact O-N 3.15Å; R28-H31 PolarHBondContact O-N 3.47Å; R28-S32 PolarHBondContact O-N 3.12Å; R28-S32 PolarHBondContact O-OG 3.46Å; R28-L196 HydrophobicContact CB-CD2 4.33Å; R28-L196 HydrophobicContact CG-CD1 4.42Å; R28-L196 HydrophobicContact CG-CD2 3.41Å; R28-L196 VanDerWaalsContact CG-CD2 3.41Å
29Q95.5Very high91.4Very high142 Ų14266.9 Ų66.966%0.66434%0.341SS*.Hα-helixtrans-59.6-46.6178-176.1-175.614.500111.8A25 I27 S32 L33A25-Q29 WeakPolarHBondContact O-CB 3.48Å; A25-Q29 PolarHBondContact O-N 3.3Å; I27-Q29 PolarHBondContact O-N 3.25Å; Q29-S32 PolarHBondContact O-N 2.86Å; Q29-L33 PolarHBondContact O-N 2.91Å
30T96.6Very high93Very high5 Ų566.1 Ų66.13%0.03133%0.331CS..Hα-helixtrans-67.1-39.3-178.7-50.50000111K26 I27 R28 L33 A34 L132 A135 V136 L139 L192K26-T30 WeakPolarHBondContact O-CB 3.41Å; K26-T30 PolarHBondContact O-N 3.31Å; K26-T30 PolarHBondContact O-OG1 2.97Å; I27-T30 PolarHBondContact O-N 3.26Å; R28-T30 PolarHBondContact O-N 3.15Å; T30-L33 PolarHBondContact O-N 2.96Å; T30-A34 PolarHBondContact O-N 3.16Å; T30-L132 HydrophobicContact CG2-CD1 3.86Å; T30-A135 HydrophobicContact CG2-CB 3.81Å; T30-V136 HydrophobicContact CG2-CG2 4.21Å; T30-L139 HydrophobicContact CG2-CD1 3.83Å; T30-L192 HydrophobicContact CG2-CD1 3.82Å; T30-L192 HydrophobicContact CG2-CD2 4.28Å
31H97.5Very high94.2Very high45 Ų4560.5 Ų60.521%0.20830%0.301CS..Hα-helixtrans-62.3-47173.6175.9-92.6000112I27 R28 L33 A34 H35 E189 L192 G193 L196I27-H31 WeakPolarHBondContact O-CB 3.38Å; I27-H31 PolarHBondContact O-N 3.47Å; R28-H31 PolarHBondContact O-N 3.47Å; H31-L33 VanDerWaalsContact C-N 3.29Å; H31-L33 PolarHBondContact O-N 2.9Å; H31-A34 PolarHBondContact O-N 2.71Å; H31-H35 WeakPolarHBondContact O-CB 3.39Å; H31-H35 PolarHBondContact O-N 3.4Å; H31-E189 PolarHBondContact CD2-O 3.36Å; H31-L192 HydrophobicContact CB-CB 4.07Å; H31-G193 PolarHBondContact CD2-N 3.13Å; H31-L196 HydrophobicContact CB-CD1 3.85Å
32S97.3Very high95.1Very high74 Ų7461 Ų6152%0.51730%0.297SS..Hα-helixtrans-60.6-38.8176.5-66.50000112.4R28 Q29 L36R28-S32 PolarHBondContact O-N 3.12Å; R28-S32 PolarHBondContact O-OG 3.46Å; Q29-S32 PolarHBondContact O-N 2.86Å; S32-L36 PolarHBondContact O-N 2.81Å; S32-L36 VanDerWaalsContact O-N 3.08Å
33L97.1Very high95.7Very high63 Ų6358.8 Ų58.833%0.3329%0.287SS..Hα-helixtrans-62.3-51.4172.3177.262000110.7Q29 T30 H31 H35 L36 L37 L132Q29-L33 PolarHBondContact O-N 2.91Å; T30-L33 PolarHBondContact O-N 2.96Å; H31-L33 VanDerWaalsContact C-N 3.29Å; H31-L33 PolarHBondContact O-N 2.9Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 3.06Å; L33-L36 WeakPolarHBondContact O-CB 3.42Å; L33-L36 PolarHBondContact O-N 3.02Å; L33-L36 VanDerWaalsContact O-N 3.15Å; L33-L37 HydrophobicContact CD1-CD1 4.02Å; L33-L37 HydrophobicContact CD1-CD2 4.3Å; L33-L37 HydrophobicContact CD1-CG 3.98Å; L33-L37 HydrophobicContact CG-CD1 4.01Å; L33-L37 HydrophobicContact CG-CG 4.31Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.19Å; L33-L132 HydrophobicContact CD2-CD1 4.08Å; L33-L132 HydrophobicContact CG-CD1 4.22Å
34A97.8Very high96.3Very high0 Ų057.6 Ų57.60%028%0.28CS..Hα-helixtrans-55.1-46.9178.800000111.8T30 H31 L36 L37 T38 L132 E189 L192T30-A34 PolarHBondContact O-N 3.16Å; H31-A34 PolarHBondContact O-N 2.71Å; A34-L36 PolarHBondContact O-N 3.04Å; A34-L37 PolarHBondContact O-N 3.37Å; A34-L37 VanDerWaalsContact O-N 3.14Å; A34-T38 PolarHBondContact O-N 3.29Å; A34-T38 PolarHBondContact O-OG1 3.24Å; A34-L132 HydrophobicContact CB-CD1 4.06Å; A34-L132 HydrophobicContact CB-CD2 4.06Å; A34-E189 HydrophobicContact CB-CB 3.99Å; A34-L192 HydrophobicContact CB-CD1 3.96Å
35H98.1Very high96.6Very high71 Ų7154.3 Ų54.333%0.32927%0.265SS..Hα-helixtrans-58.5-43.7176.7-178.171.6000113.1H31 L33 L37 T38 K39 E189H31-H35 WeakPolarHBondContact O-CB 3.39Å; H31-H35 PolarHBondContact O-N 3.4Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 3.06Å; H35-L37 VanDerWaalsContact C-N 3.35Å; H35-T38 PolarHBondContact O-N 2.97Å; H35-K39 WeakPolarHBondContact NE2-CE 3.35Å; H35-K39 PolarHBondContact NE2-NZ 3.41Å; H35-K39 PolarHBondContact O-N 2.89Å; H35-E189 HydrophobicContact CB-CG 4.26Å; H35-E189 IonicContact CE1-OE1 3.26Å; H35-E189 IonicContact CG-OE1 2.99Å; H35-E189 IonicContact ND1-OE1 2.69Å; H35-E189 PolarHBondContact ND1-OE1 2.88Å
36L98.3Very high96.9Very high71 Ų7156.4 Ų56.437%0.37227%0.266SS..Hα-helixtrans-62.5-44.4175.5-179.463.5000111.2S32 L33 A34 T38 K39 Y40S32-L36 PolarHBondContact O-N 2.81Å; S32-L36 VanDerWaalsContact O-N 3.08Å; L33-L36 WeakPolarHBondContact O-CB 3.42Å; L33-L36 PolarHBondContact O-N 3.02Å; L33-L36 VanDerWaalsContact O-N 3.15Å; A34-L36 PolarHBondContact O-N 3.04Å; L36-T38 PolarHBondContact O-N 3.14Å; L36-K39 WeakPolarHBondContact O-CB 3.4Å; L36-K39 PolarHBondContact O-N 3.34Å; L36-Y40 HydrophobicContact CD1-CE1 3.99Å; L36-Y40 HydrophobicContact CD1-CE2 3.97Å; L36-Y40 HydrophobicContact CD2-CE2 3.94Å; L36-Y40 HydrophobicContact CG-CD2 4.23Å; L36-Y40 HydrophobicContact CG-CE2 3.67Å; L36-Y40 PolarHBondContact O-N 3.33Å
37L98.3Very high97.1Very high3 Ų355.6 Ų55.62%0.01626%0.263CS..Hα-helixtrans-66.9-35.3-179.2-64.6-175.1000112.2L33 A34 H35 K39 Y40 A41 Q128 L132 L185L33-L37 HydrophobicContact CD1-CD1 4.02Å; L33-L37 HydrophobicContact CD1-CD2 4.3Å; L33-L37 HydrophobicContact CD1-CG 3.98Å; L33-L37 HydrophobicContact CG-CD1 4.01Å; L33-L37 HydrophobicContact CG-CG 4.31Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.19Å; A34-L37 PolarHBondContact O-N 3.37Å; A34-L37 VanDerWaalsContact O-N 3.14Å; H35-L37 VanDerWaalsContact C-N 3.35Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 2.85Å; L37-Y40 HydrophobicContact CD2-CD2 4.12Å; L37-Y40 PolarHBondContact O-N 3.39Å; L37-Y40 VanDerWaalsContact O-N 3.15Å; L37-A41 WeakPolarHBondContact O-CB 3.38Å; L37-A41 PolarHBondContact O-N 3.12Å; L37-Q128 HydrophobicContact CD1-CB 3.94Å; L37-Q128 HydrophobicContact CD2-CB 3.69Å; L37-Q128 VanDerWaalsContact CD2-CD 3.41Å; L37-Q128 HydrophobicContact CD2-CG 3.58Å; L37-Q128 HydrophobicContact CG-CB 4.44Å; L37-L132 HydrophobicContact CD1-CB 3.98Å; L37-L132 HydrophobicContact CD1-CD2 4.19Å; L37-L185 HydrophobicContact CB-CD1 3.87Å; L37-L185 HydrophobicContact CB-CD2 4.01Å; L37-L185 HydrophobicContact CD1-CD2 4.3Å
38T97.9Very high97.2Very high20 Ų2055 Ų5512%0.12326%0.26CS..Hα-helixtrans-55-45.5172.4-63.40000111.2A34 H35 L36 Y40 A41 E42 S186 E189A34-T38 PolarHBondContact O-N 3.29Å; A34-T38 PolarHBondContact O-OG1 3.24Å; H35-T38 PolarHBondContact O-N 2.97Å; L36-T38 PolarHBondContact O-N 3.14Å; T38-Y40 PolarHBondContact O-N 3.44Å; T38-A41 PolarHBondContact O-N 3.03Å; T38-E42 PolarHBondContact O-N 3.5Å; T38-S186 VanDerWaalsContact CG2-OG 3.26Å; T38-S186 WeakPolarHBondContact CG2-OG 3.31Å; T38-E189 VanDerWaalsContact CB-OE2 3.28Å; T38-E189 WeakPolarHBondContact CB-OE2 3.39Å; T38-E189 PolarHBondContact OG1-OE2 3.43Å
39K97.9Very high97.2Very high102 Ų10249.7 Ų49.744%0.44324%0.243SC..Hα-helixtrans-64-41.8176.9-64.3178.1-175.91720112H35 L36 L37 E42 Q43H35-K39 WeakPolarHBondContact NE2-CE 3.35Å; H35-K39 PolarHBondContact NE2-NZ 3.41Å; H35-K39 PolarHBondContact O-N 2.89Å; L36-K39 WeakPolarHBondContact O-CB 3.4Å; L36-K39 PolarHBondContact O-N 3.34Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 2.85Å; K39-E42 PolarHBondContact O-N 3.34Å; K39-Q43 WeakPolarHBondContact O-CG 3.38Å; K39-Q43 PolarHBondContact O-N 3.08Å; K39-Q43 VanDerWaalsContact O-N 3.16Å
40Y98.1Very high97.1Very high92 Ų9250 Ų5036%0.36125%0.245SC..Hα-helixtrans-67.9-35.2177.4-66.3-18.4000112.7L36 L37 T38 Q43 L44L36-Y40 HydrophobicContact CD1-CE1 3.99Å; L36-Y40 HydrophobicContact CD1-CE2 3.97Å; L36-Y40 HydrophobicContact CD2-CE2 3.94Å; L36-Y40 HydrophobicContact CG-CD2 4.23Å; L36-Y40 HydrophobicContact CG-CE2 3.67Å; L36-Y40 PolarHBondContact O-N 3.33Å; L37-Y40 HydrophobicContact CD2-CD2 4.12Å; L37-Y40 PolarHBondContact O-N 3.39Å; L37-Y40 VanDerWaalsContact O-N 3.15Å; T38-Y40 PolarHBondContact O-N 3.44Å; Y40-Q43 PolarHBondContact O-N 3.32Å; Y40-L44 WeakPolarHBondContact O-CB 3.32Å; Y40-L44 PolarHBondContact O-N 2.89Å
41A98.1Very high97Very high0 Ų053 Ų530%026%0.26CS..Hα-helixtrans-66.6-39.2175.900000112.2L37 T38 L44 L45 Y181 R182 L185L37-A41 WeakPolarHBondContact O-CB 3.38Å; L37-A41 PolarHBondContact O-N 3.12Å; T38-A41 PolarHBondContact O-N 3.03Å; A41-L44 PolarHBondContact O-N 3.15Å; A41-L45 PolarHBondContact O-N 3.36Å; A41-Y181 HydrophobicContact CB-CD1 3.56Å; A41-Y181 HydrophobicContact CB-CE1 3.43Å; A41-Y181 VanDerWaalsContact CB-CE1 3.43Å; A41-R182 HydrophobicContact CB-CB 3.91Å; A41-R182 HydrophobicContact CB-CG 4.16Å; A41-L185 HydrophobicContact CB-CD1 3.61Å
42E97.9Very high96.8Very high92 Ų9251.1 Ų51.143%0.4325%0.252SS..Hα-helixtrans-61.3-47.3172.7-177171.7-160.400111.6T38 K39 L44 L45 Q46T38-E42 PolarHBondContact O-N 3.5Å; K39-E42 PolarHBondContact O-N 3.34Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 2.93Å; E42-L45 PolarHBondContact O-N 3.24Å; E42-Q46 WeakPolarHBondContact O-CG 3.48Å; E42-Q46 PolarHBondContact O-N 3.13Å
43Q97.4Very high96.5Very high80 Ų8049 Ų4937%0.37424%0.242SC..Hα-helixtrans-61.2-41.8176.2-67.8174.710.700112.5K39 Y40 L45 Q46 E47K39-Q43 WeakPolarHBondContact O-CG 3.38Å; K39-Q43 PolarHBondContact O-N 3.08Å; K39-Q43 VanDerWaalsContact O-N 3.16Å; Y40-Q43 PolarHBondContact O-N 3.32Å; Q43-L45 VanDerWaalsContact C-N 3.35Å; Q43-Q46 PolarHBondContact O-N 3.1Å; Q43-E47 VanDerWaalsContact O-CB 3.3Å; Q43-E47 WeakPolarHBondContact O-CB 3.3Å; Q43-E47 PolarHBondContact O-N 3.28Å
44L98.2Very high96.1Very high4 Ų452 Ų522%0.02126%0.258CS..Hα-helixtrans-59.9-45.7176.2169.561.7000111.1Y40 A41 E42 E47 Y48 L118 R121 L122 A125 Y181Y40-L44 WeakPolarHBondContact O-CB 3.32Å; Y40-L44 PolarHBondContact O-N 2.89Å; A41-L44 PolarHBondContact O-N 3.15Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 2.93Å; L44-E47 PolarHBondContact O-N 2.94Å; L44-Y48 VanDerWaalsContact O-CB 3.29Å; L44-Y48 WeakPolarHBondContact O-CB 3.36Å; L44-Y48 PolarHBondContact O-N 2.73Å; L44-L118 HydrophobicContact CD1-CD1 3.67Å; L44-R121 HydrophobicContact CD1-CB 3.95Å; L44-L122 HydrophobicContact CD1-CD2 3.93Å; L44-L122 HydrophobicContact CD1-CG 4.06Å; L44-L122 HydrophobicContact CD2-CD2 4.2Å; L44-A125 HydrophobicContact CD2-CB 3.75Å; L44-Y181 HydrophobicContact CD2-CD1 4.08Å; L44-Y181 HydrophobicContact CD2-CE1 4.18Å
45L96.9Very high95.9Very high20 Ų2054 Ų5411%0.10527%0.272CS..Hα-helixtrans-64-44.8179.318064.3000111.7A41 E42 Q43 Y48 V49 L175 C178A41-L45 PolarHBondContact O-N 3.36Å; E42-L45 PolarHBondContact O-N 3.24Å; Q43-L45 VanDerWaalsContact C-N 3.35Å; L45-Y48 PolarHBondContact O-N 3.36Å; L45-V49 HydrophobicContact CD1-CG2 4.48Å; L45-V49 WeakPolarHBondContact O-CG2 3.48Å; L45-V49 PolarHBondContact O-N 2.83Å; L45-L175 HydrophobicContact CD1-CD1 3.72Å; L45-C178 HydrophobicContact CB-CB 4.46Å; L45-C178 HydrophobicContact CD1-CB 3.68Å
46Q95.4Very high95.5Very high99 Ų9951.4 Ų51.446%0.46326%0.259SS..Hα-helixtrans-60.4-47.6176.5-71.6175.30.300111.4E42 Q43 Y48 V49 Q50E42-Q46 WeakPolarHBondContact O-CG 3.48Å; E42-Q46 PolarHBondContact O-N 3.13Å; Q43-Q46 PolarHBondContact O-N 3.1Å; Q46-Y48 VanDerWaalsContact C-N 3.33Å; Q46-Y48 PolarHBondContact O-N 2.88Å; Q46-V49 PolarHBondContact O-N 3.49Å; Q46-Q50 WeakPolarHBondContact O-CG 3.32Å; Q46-Q50 PolarHBondContact O-N 3.12Å
47E95.9Very high95Very high27 Ų2750.1 Ų50.113%0.12626%0.264CS..Hα-helixtrans-63.3-39.9178.3-174.1168160.900111.7Q43 L44 Q50 L51 R117 R121Q43-E47 VanDerWaalsContact O-CB 3.3Å; Q43-E47 WeakPolarHBondContact O-CB 3.3Å; Q43-E47 PolarHBondContact O-N 3.28Å; L44-E47 PolarHBondContact O-N 2.94Å; E47-Q50 PolarHBondContact O-N 2.92Å; E47-L51 WeakPolarHBondContact O-CB 3.12Å; E47-L51 PolarHBondContact O-N 3.38Å; E47-R117 VanDerWaalsContact CD-NE 3.28Å; E47-R117 VanDerWaalsContact OE1-CD 3.3Å; E47-R117 WeakPolarHBondContact OE1-CD 3.31Å; E47-R117 VanDerWaalsContact OE1-CG 3.22Å; E47-R117 WeakPolarHBondContact OE1-CG 3.45Å; E47-R117 IonicContact OE1-CZ 2.71Å; E47-R117 IonicContact OE1-NE 3.75Å; E47-R117 PolarHBondContact OE1-NE 3.09Å; E47-R117 IonicContact OE2-CZ 3.57Å; E47-R117 IonicContact OE2-NE 3.7Å; E47-R117 PolarHBondContact OE2-NE 2.96Å; E47-R117 IonicContact OE2-NH2 3.56Å; E47-R117 PolarHBondContact OE2-NH2 3.34Å; E47-R121 WeakPolarHBondContact OE2-CD 3.36Å; E47-R121 IonicContact OE2-CZ 3.69Å; E47-R121 IonicContact OE2-NE 3.65Å; E47-R121 PolarHBondContact OE2-NE 3.08Å
48Y96.7Very high94.7Very high0 Ų053.5 Ų53.50%028%0.281CS..Hα-helixtrans-59.7-49.6175.1-175.6-85.6000111.4L44 L45 Q46 L51 Q52 V104 Q108 L118 K171 G174 L175L44-Y48 VanDerWaalsContact O-CB 3.29Å; L44-Y48 WeakPolarHBondContact O-CB 3.36Å; L44-Y48 PolarHBondContact O-N 2.73Å; L45-Y48 PolarHBondContact O-N 3.36Å; Q46-Y48 VanDerWaalsContact C-N 3.33Å; Q46-Y48 PolarHBondContact O-N 2.88Å; Y48-L51 PolarHBondContact O-N 3.2Å; Y48-Q52 HydrophobicContact CD1-CG 3.95Å; Y48-Q52 HydrophobicContact CE1-CG 3.52Å; Y48-Q52 VanDerWaalsContact O-CG 3.29Å; Y48-Q52 WeakPolarHBondContact O-CG 3.49Å; Y48-Q52 PolarHBondContact O-N 3.36Å; Y48-Q52 VanDerWaalsContact O-N 3.13Å; Y48-Q52 PolarHBondContact O-NE2 3.39Å; Y48-V104 HydrophobicContact CE2-CG1 3.83Å; Y48-Q108 HydrophobicContact CE2-CG 3.9Å; Y48-Q108 PolarHBondContact OH-NE2 3.33Å; Y48-L118 HydrophobicContact CD2-CD1 4.3Å; Y48-L118 HydrophobicContact CD2-CD2 4.07Å; Y48-K171 WeakPolarHBondContact CE1-O 3.26Å; Y48-K171 WeakPolarHBondContact OH-CA 3.28Å; Y48-K171 PolarHBondContact OH-O 2.75Å; Y48-G174 VanDerWaalsContact CZ-C 3.46Å; Y48-G174 WeakPolarHBondContact OH-CA 3.48Å; Y48-L175 HydrophobicContact CD1-CB 4.34Å; Y48-L175 HydrophobicContact CD1-CD1 4.32Å; Y48-L175 HydrophobicContact CE1-CB 3.9Å
49V94.9Very high94.1Very high33 Ų3359.1 Ų59.120%0.232%0.318CS..Hα-helixtrans-59.8-48.7179167.40000111.1L45 Q46 L51 Q52 G53 F56 L175L45-V49 HydrophobicContact CD1-CG2 4.48Å; L45-V49 WeakPolarHBondContact O-CG2 3.48Å; L45-V49 PolarHBondContact O-N 2.83Å; Q46-V49 PolarHBondContact O-N 3.49Å; V49-L51 VanDerWaalsContact C-N 3.3Å; V49-L51 PolarHBondContact O-N 3.41Å; V49-Q52 PolarHBondContact O-N 3.05Å; V49-Q52 VanDerWaalsContact O-N 3.14Å; V49-G53 PolarHBondContact O-N 3.38Å; V49-F56 HydrophobicContact CG1-CB 4.47Å; V49-F56 VanDerWaalsContact CG1-O 3.24Å; V49-F56 WeakPolarHBondContact CG1-O 3.4Å; V49-L175 HydrophobicContact CG2-CD1 3.4Å; V49-L175 VanDerWaalsContact CG2-CD1 3.4Å
50Q93.1Very high93.6Very high150 Ų15059.3 Ų59.370%0.70133%0.332SS*.Hα-helixtrans-58-43.3179.4-74.5177.13.800111.8Q46 E47 Q52 G53Q46-Q50 WeakPolarHBondContact O-CG 3.32Å; Q46-Q50 PolarHBondContact O-N 3.12Å; E47-Q50 PolarHBondContact O-N 2.92Å; Q50-Q52 VanDerWaalsContact C-N 3.33Å; Q50-Q52 PolarHBondContact O-N 3.36Å; Q50-G53 PolarHBondContact O-N 3.46Å
51L93.8Very high93.2Very high67 Ų6757.2 Ų57.235%0.35133%0.325SS..Hα-helixtrans-69-30.2179.8-167.477.7000112.9E47 Y48 V49 G53 N112 A115 L118E47-L51 WeakPolarHBondContact O-CB 3.12Å; E47-L51 PolarHBondContact O-N 3.38Å; Y48-L51 PolarHBondContact O-N 3.2Å; V49-L51 VanDerWaalsContact C-N 3.3Å; V49-L51 PolarHBondContact O-N 3.41Å; L51-G53 PolarHBondContact O-N 3.45Å; L51-N112 HydrophobicContact CD2-CB 3.93Å; L51-A115 HydrophobicContact CD1-CB 3.97Å; L51-A115 HydrophobicContact CD2-CB 3.36Å; L51-A115 HydrophobicContact CG-CB 4.31Å; L51-L118 HydrophobicContact CD2-CB 4.39Å; L51-L118 HydrophobicContact CD2-CD2 3.33Å; L51-L118 HydrophobicContact CD2-CG 4.47Å
52Q93.3Very high92.7Very high5 Ų562.2 Ų62.22%0.02336%0.36CS..Hα-helixtrans-70.4-23.3179.9-64.5-28.5-66.900113Y48 V49 Q50 F56 Q108 K171Y48-Q52 HydrophobicContact CD1-CG 3.95Å; Y48-Q52 HydrophobicContact CE1-CG 3.52Å; Y48-Q52 VanDerWaalsContact O-CG 3.29Å; Y48-Q52 WeakPolarHBondContact O-CG 3.49Å; Y48-Q52 PolarHBondContact O-N 3.36Å; Y48-Q52 VanDerWaalsContact O-N 3.13Å; Y48-Q52 PolarHBondContact O-NE2 3.39Å; V49-Q52 PolarHBondContact O-N 3.05Å; V49-Q52 VanDerWaalsContact O-N 3.14Å; Q50-Q52 VanDerWaalsContact C-N 3.33Å; Q50-Q52 PolarHBondContact O-N 3.36Å; Q52-F56 HydrophobicContact CB-CB 3.89Å; Q52-F56 HydrophobicContact CB-CD1 4.38Å; Q52-F56 HydrophobicContact CB-CD2 3.63Å; Q52-F56 HydrophobicContact CB-CE2 4.3Å; Q52-F56 HydrophobicContact CB-CG 3.7Å; Q52-F56 HydrophobicContact CG-CG 4.37Å; Q52-Q108 VanDerWaalsContact NE2-OE1 3.17Å; Q52-K171 HydrophobicContact CB-CD 4.34Å; Q52-K171 HydrophobicContact CG-CB 4.45Å; Q52-K171 HydrophobicContact CG-CD 4.34Å; Q52-K171 HydrophobicContact CG-CG 4.48Å; Q52-K171 PolarHBondContact O-NZ 3.14Å; Q52-K171 VanDerWaalsContact O-NZ 3.15Å; Q52-K171 VanDerWaalsContact OE1-CD 3.23Å
53G90.5Very high92.1Very high31 Ų3160.1 Ų60.132%0.3236%0.355SS..  trans68-163.8-177.200000112.7V49 Q50 L51 F56 G57V49-G53 PolarHBondContact O-N 3.38Å; Q50-G53 PolarHBondContact O-N 3.46Å; L51-G53 PolarHBondContact O-N 3.45Å; G53-F56 WeakPolarHBondContact O-CA 3.5Å; G53-F56 VanDerWaalsContact O-CB 3.3Å; G53-F56 WeakPolarHBondContact O-CB 3.43Å; G53-F56 PolarHBondContact O-N 3.13Å; G53-G57 PolarHBondContact O-N 2.65Å
54D90.5Very high91.6Very high124 Ų12459.5 Ų59.566%0.66336%0.357SS*.THydrogen-bonded Turntrans-64.1141.8177-69.3-18.1000111.5L58D54-L58 WeakPolarHBondContact OD1-CD2 3.38Å
55P92.1Very high90.8Very high44 Ų4470.7 Ų70.729%0.28640%0.399SS..THydrogen-bonded Turncis-86.70.24.535.7-37.9000114.8G57 L58 F61 F168P55-G57 VanDerWaalsContact C-N 3.28Å; P55-G57 PolarHBondContact O-N 3Å; P55-L58 HydrophobicContact CB-CD1 4.21Å; P55-L58 WeakPolarHBondContact O-CB 3.37Å; P55-L58 PolarHBondContact O-N 3.14Å; P55-L58 VanDerWaalsContact O-N 3.1Å; P55-F61 HydrophobicContact CB-CB 4.28Å; P55-F61 HydrophobicContact CB-CD1 4.38Å; P55-F61 HydrophobicContact CB-CD2 3.6Å; P55-F61 HydrophobicContact CB-CE2 3.94Å; P55-F61 HydrophobicContact CB-CG 3.83Å; P55-F61 HydrophobicContact CB-CZ 4.45Å; P55-F61 HydrophobicContact CG-CD1 4.4Å; P55-F61 HydrophobicContact CG-CD2 3.74Å; P55-F61 HydrophobicContact CG-CE1 4.18Å; P55-F61 HydrophobicContact CG-CE2 3.51Å; P55-F61 HydrophobicContact CG-CG 4.18Å; P55-F61 HydrophobicContact CG-CZ 3.74Å; P55-F61 WeakPolarHBondContact O-CB 3.42Å; P55-F61 WeakPolarHBondContact O-CD1 3.47Å; P55-F61 WeakPolarHBondContact O-CG 3.4Å; P55-F168 HydrophobicContact CG-CE2 4.31Å
56F91.3Very high90.1Very high15 Ų1572.2 Ų72.27%0.06641%0.407CS..THydrogen-bonded Turntrans-64-30.3-171-62.4-95.3000113.9V49 Q52 G53 L58 F61 F168 K171 V172 L175V49-F56 HydrophobicContact CG1-CB 4.47Å; V49-F56 VanDerWaalsContact CG1-O 3.24Å; V49-F56 WeakPolarHBondContact CG1-O 3.4Å; Q52-F56 HydrophobicContact CB-CB 3.89Å; Q52-F56 HydrophobicContact CB-CD1 4.38Å; Q52-F56 HydrophobicContact CB-CD2 3.63Å; Q52-F56 HydrophobicContact CB-CE2 4.3Å; Q52-F56 HydrophobicContact CB-CG 3.7Å; Q52-F56 HydrophobicContact CG-CG 4.37Å; G53-F56 WeakPolarHBondContact O-CA 3.5Å; G53-F56 VanDerWaalsContact O-CB 3.3Å; G53-F56 WeakPolarHBondContact O-CB 3.43Å; G53-F56 PolarHBondContact O-N 3.13Å; F56-L58 VanDerWaalsContact C-N 3.34Å; F56-F61 AromaticContact CD1-CE1 3.8Å; F56-F61 HydrophobicContact CD1-CE1 3.8Å; F56-F61 HydrophobicContact CE1-CE1 4.04Å; F56-F61 HydrophobicContact CE1-CZ 4.48Å; F56-F61 HydrophobicContact CG-CE1 4.15Å; F56-F168 HydrophobicContact CE2-CD2 4.1Å; F56-F168 HydrophobicContact CE2-CE2 4.03Å; F56-F168 AromaticContact CZ-CD2 3.92Å; F56-F168 HydrophobicContact CZ-CD2 3.92Å; F56-F168 AromaticContact CZ-CE2 3.77Å; F56-F168 HydrophobicContact CZ-CE2 3.77Å; F56-K171 HydrophobicContact CE1-CB 4.06Å; F56-K171 HydrophobicContact CE2-CB 3.98Å; F56-K171 HydrophobicContact CE2-CD 3.87Å; F56-K171 HydrophobicContact CZ-CB 3.46Å; F56-K171 VanDerWaalsContact CZ-CB 3.46Å; F56-K171 HydrophobicContact CZ-CD 4.24Å; F56-V172 HydrophobicContact CE1-CG2 3.87Å; F56-V172 HydrophobicContact CZ-CG2 3.94Å; F56-L175 HydrophobicContact CD1-CD2 4.12Å; F56-L175 HydrophobicContact CE1-CD2 4.5Å
57G87.5Confident89.6Confident45 Ų4573.1 Ų73.146%0.46442%0.422SS..THydrogen-bonded Turntrans-81.2-8.3177.300000115G53 P55G53-G57 PolarHBondContact O-N 2.65Å; P55-G57 VanDerWaalsContact C-N 3.28Å; P55-G57 PolarHBondContact O-N 3Å
58L90.8Very high89.2Confident74 Ų7472.5 Ų72.539%0.38742%0.42SS..  trans-81.2131.6-176.1-60.3176.7000110.9D54 P55 F56 S60 F61D54-L58 WeakPolarHBondContact OD1-CD2 3.38Å; P55-L58 HydrophobicContact CB-CD1 4.21Å; P55-L58 WeakPolarHBondContact O-CB 3.37Å; P55-L58 PolarHBondContact O-N 3.14Å; P55-L58 VanDerWaalsContact O-N 3.1Å; F56-L58 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.03Å; L58-S60 VanDerWaalsContact O-N 3.16Å; L58-F61 HydrophobicContact CB-CB 4.13Å; L58-F61 WeakPolarHBondContact O-CB 3.22Å; L58-F61 PolarHBondContact O-N 3.44Å
59P85.1Confident88.5Confident138 Ų13874.5 Ų74.590%0.89644%0.436SS*.THydrogen-bonded Turntrans-60-27.4178.6-2433000114.3
60S88.7Confident87.8Confident106 Ų10676.1 Ų76.174%0.74146%0.46SS*.THydrogen-bonded Turntrans-84.4-10.4179.554.40000113.5L58 S62L58-S60 PolarHBondContact O-N 3.03Å; L58-S60 VanDerWaalsContact O-N 3.16Å; S60-S62 PolarHBondContact O-N 2.93Å
61F89.1Confident87.7Confident47 Ų4769.5 Ų69.521%0.20643%0.429CS..  trans-76.1116.4-177.8178.2-115.8000110.9P55 F56 L58 P63 F168P55-F61 HydrophobicContact CB-CB 4.28Å; P55-F61 HydrophobicContact CB-CD1 4.38Å; P55-F61 HydrophobicContact CB-CD2 3.6Å; P55-F61 HydrophobicContact CB-CE2 3.94Å; P55-F61 HydrophobicContact CB-CG 3.83Å; P55-F61 HydrophobicContact CB-CZ 4.45Å; P55-F61 HydrophobicContact CG-CD1 4.4Å; P55-F61 HydrophobicContact CG-CD2 3.74Å; P55-F61 HydrophobicContact CG-CE1 4.18Å; P55-F61 HydrophobicContact CG-CE2 3.51Å; P55-F61 HydrophobicContact CG-CG 4.18Å; P55-F61 HydrophobicContact CG-CZ 3.74Å; P55-F61 WeakPolarHBondContact O-CB 3.42Å; P55-F61 WeakPolarHBondContact O-CD1 3.47Å; P55-F61 WeakPolarHBondContact O-CG 3.4Å; F56-F61 AromaticContact CD1-CE1 3.8Å; F56-F61 HydrophobicContact CD1-CE1 3.8Å; F56-F61 HydrophobicContact CE1-CE1 4.04Å; F56-F61 HydrophobicContact CE1-CZ 4.48Å; F56-F61 HydrophobicContact CG-CE1 4.15Å; L58-F61 HydrophobicContact CB-CB 4.13Å; L58-F61 WeakPolarHBondContact O-CB 3.22Å; L58-F61 PolarHBondContact O-N 3.44Å; F61-P63 HydrophobicContact CD1-CB 4.44Å; F61-P63 HydrophobicContact CE1-CB 3.71Å; F61-P63 HydrophobicContact CE1-CG 4.4Å; F61-P63 HydrophobicContact CZ-CB 4.02Å; F61-P63 WeakPolarHBondContact O-CD 3.48Å; F61-F168 HydrophobicContact CE2-CZ 4.34Å; F61-F168 HydrophobicContact CZ-CE2 4.07Å; F61-F168 AromaticContact CZ-CZ 3.93Å; F61-F168 HydrophobicContact CZ-CZ 3.93Å
62S87.6Confident87.5Confident106 Ų10670.7 Ų70.774%0.74144%0.443SS*.  trans-101.6101.6170.3-69.70000109S60S60-S62 PolarHBondContact O-N 2.93Å
63P85.4Confident87.4Confident48 Ų4872.1 Ų72.131%0.31246%0.456SS..  trans-62.8146.2179.926.5-35.8000110.9F61 R65 V172 L175F61-P63 HydrophobicContact CD1-CB 4.44Å; F61-P63 HydrophobicContact CE1-CB 3.71Å; F61-P63 HydrophobicContact CE1-CG 4.4Å; F61-P63 HydrophobicContact CZ-CB 4.02Å; F61-P63 WeakPolarHBondContact O-CD 3.48Å; P63-R65 PolarHBondContact O-N 3.24Å; P63-V172 HydrophobicContact CB-CG1 4.34Å; P63-L175 HydrophobicContact CB-CD2 3.82Å; P63-L175 HydrophobicContact CG-CD2 3.58Å
64P86.8Confident87.3Confident66 Ų6671.7 Ų71.743%0.42945%0.447SS..  trans-54.6138172.2-24.833.5000111.6L66 F168 V172P64-L66 PolarHBondContact O-N 3.48Å; P64-F168 HydrophobicContact CG-CE1 4.23Å; P64-V172 VanDerWaalsContact O-CG1 3.31Å; P64-V172 WeakPolarHBondContact O-CG1 3.49Å
65R81.7Confident87.3Confident239 Ų23968 Ų6890%0.90243%0.434SS*.  trans-77.590.7175.1-66-168.3-174.9-1582.7109.7P63P63-R65 PolarHBondContact O-N 3.24Å
66L83.1Confident87Confident53 Ų5372 Ų7228%0.27746%0.46SS..  trans-79.9130.6172.7-64.1180000110.3P64 V172P64-L66 PolarHBondContact O-N 3.48Å; L66-V172 HydrophobicContact CD1-CB 3.76Å; L66-V172 HydrophobicContact CD1-CG1 3.53Å; L66-V172 HydrophobicContact CG-CG1 3.78Å
67P84.6Confident86.8Confident118 Ų11875.3 Ų75.377%0.76649%0.485SS*.  trans-66.6136.8171.628.7-32.7000109.4
68V86.5Confident86.8Confident13 Ų1373.4 Ų73.48%0.07946%0.464CS..  trans-104.2113.7171.6-179.30000106.9G70 L71 L100 L173 R176 V177 L180V68-G70 PolarHBondContact O-N 3.01Å; V68-L71 HydrophobicContact CG1-CB 4.41Å; V68-L71 PolarHBondContact O-N 3.11Å; V68-L100 HydrophobicContact CG1-CD1 3.63Å; V68-L100 HydrophobicContact CG1-CD2 3.72Å; V68-L100 HydrophobicContact CG1-CG 4.28Å; V68-L173 HydrophobicContact CG2-CD1 4.04Å; V68-R176 HydrophobicContact CG2-CB 4.31Å; V68-R176 HydrophobicContact CG2-CG 3.55Å; V68-V177 HydrophobicContact CG1-CG2 4.28Å; V68-V177 HydrophobicContact CG2-CG2 4.29Å; V68-L180 HydrophobicContact CB-CD1 3.95Å; V68-L180 HydrophobicContact CG1-CD1 4.36Å; V68-L180 HydrophobicContact CG2-CD1 3.83Å
69A82.8Confident86.6Confident43 Ų4372.5 Ų72.536%0.35547%0.467SS..THydrogen-bonded Turntrans-60130.2-177.400000110.8L71 S160A69-L71 VanDerWaalsContact C-N 3.27Å; A69-L71 PolarHBondContact O-N 3.38Å; A69-S160 WeakPolarHBondContact CB-O 3.4Å
70G80.3Confident86.7Confident67 Ų6769.5 Ų69.569%0.69146%0.461SS*.THydrogen-bonded Turntrans77.80179.400000115.6V68V68-G70 PolarHBondContact O-N 3.01Å
71L90.6Very high86.8Confident11 Ų1166.9 Ų66.96%0.05844%0.439CS..  trans-146.9119.1177.5-170.564.3000112.6V68 A69 A93 A96 L97 L100 L180V68-L71 HydrophobicContact CG1-CB 4.41Å; V68-L71 PolarHBondContact O-N 3.11Å; A69-L71 VanDerWaalsContact C-N 3.27Å; A69-L71 PolarHBondContact O-N 3.38Å; L71-A93 HydrophobicContact CD1-CB 3.83Å; L71-A96 HydrophobicContact CD1-CB 4.34Å; L71-L97 HydrophobicContact CD2-CD2 3.47Å; L71-L97 VanDerWaalsContact CD2-CD2 3.47Å; L71-L97 HydrophobicContact CD2-CG 3.72Å; L71-L100 HydrophobicContact CB-CD1 3.86Å; L71-L100 HydrophobicContact CD2-CD1 3.7Å; L71-L100 HydrophobicContact CG-CD1 4.45Å; L71-L180 HydrophobicContact CD2-CB 4.16Å; L71-L180 HydrophobicContact CD2-CD1 4.18Å; L71-L180 HydrophobicContact CG-CD1 4.29Å
72S90.2Very high86.8Confident92 Ų9267.7 Ų67.764%0.64345%0.448SS*.  trans-104.7164.3171.4-68.30000110.9W184S72-W184 PolarHBondContact O-NE1 3.32Å
73A89.8Confident86.9Confident35 Ų3564.8 Ų64.829%0.28943%0.426SS..PPolyproline II helixtrans-65.9152.4168.400000110A75 L180 E183A73-A75 PolarHBondContact O-N 3.11Å; A73-L180 HydrophobicContact CB-CD2 3.88Å; A73-E183 VanDerWaalsContact CB-OE2 3.25Å; A73-E183 WeakPolarHBondContact CB-OE2 3.32Å
74P89.3Confident87Confident21 Ų2167 Ų6714%0.13643%0.432CS..PPolyproline II helixtrans-55.2123.5174.3-21.730.5000110.9W184 R187P74-W184 HydrophobicContact CB-CH2 4.24Å; P74-W184 HydrophobicContact CB-CZ2 4.33Å; P74-W184 HydrophobicContact CB-CZ3 4.39Å; P74-W184 HydrophobicContact CG-CD2 3.73Å; P74-W184 HydrophobicContact CG-CE3 3.92Å; P74-W184 HydrophobicContact CG-CG 4.27Å; P74-W184 HydrophobicContact CG-CH2 4.16Å; P74-W184 HydrophobicContact CG-CZ2 3.97Å; P74-W184 HydrophobicContact CG-CZ3 4.13Å; P74-R187 HydrophobicContact CB-CG 4.35Å; P74-R187 HydrophobicContact CG-CB 4.17Å; P74-R187 HydrophobicContact CG-CG 4.41Å
75A89.4Confident87.2Confident47 Ų4768 Ų6839%0.38843%0.431SS..PPolyproline II helixtrans-65.5151.3179.600000111.3A73 S77 H78A73-A75 PolarHBondContact O-N 3.11Å; A75-S77 PolarHBondContact O-N 3.39Å; A75-H78 WeakPolarHBondContact O-CB 3.48Å; A75-H78 PolarHBondContact O-N 2.92Å
76P87.4Confident87.8Confident127 Ų12757.3 Ų57.383%0.82539%0.391SS*.G310 helixtrans-57.5-34.3174.6-25.334.6000113.2H78P76-H78 PolarHBondContact O-N 2.87Å
77S86.6Confident88.3Confident86 Ų8654.8 Ų54.860%0.60138%0.378SS*.G310 helixtrans-66-14.1175.853.20000113.9A75 A79 G80A75-S77 PolarHBondContact O-N 3.39Å; S77-A79 VanDerWaalsContact C-N 3.25Å; S77-A79 PolarHBondContact O-N 3.36Å; S77-G80 PolarHBondContact O-N 3.45Å
78H87.4Confident88.8Confident5 Ų557.4 Ų57.42%0.02337%0.372CS..G310 helixtrans-54.5-42.2-179.9-171.3-117.2000112.1A75 P76 G80 L81 R86 D90 R187 D191A75-H78 WeakPolarHBondContact O-CB 3.48Å; A75-H78 PolarHBondContact O-N 2.92Å; P76-H78 PolarHBondContact O-N 2.87Å; H78-G80 PolarHBondContact O-N 3.3Å; H78-L81 WeakPolarHBondContact O-CB 3.29Å; H78-L81 PolarHBondContact O-N 3.4Å; H78-L81 VanDerWaalsContact O-N 3.14Å; H78-R86 WeakPolarHBondContact NE2-CA 3.47Å; H78-R86 WeakPolarHBondContact O-CD 3.45Å; H78-R86 WeakPolarHBondContact O-CG 3.4Å; H78-D90 IonicContact CE1-OD1 3.03Å; H78-R187 VanDerWaalsContact CE1-CG 3.47Å; H78-R187 WeakPolarHBondContact CE1-CG 3.42Å; H78-R187 WeakPolarHBondContact ND1-CD 3.49Å; H78-R187 WeakPolarHBondContact ND1-CG 3.29Å; H78-R187 PolarHBondContact ND1-NE 3.15Å; H78-D191 IonicContact CE1-OD2 2.65Å; H78-D191 PolarHBondContact CE1-OD2 2.89Å; H78-D191 IonicContact ND1-OD2 3.92Å
79A86.6Confident89.2Confident55 Ų5560.6 Ų60.646%0.45539%0.388SS..G310 helixtrans-64.7-24.3-178.800000113.7S77 L81 R86S77-A79 VanDerWaalsContact C-N 3.25Å; S77-A79 PolarHBondContact O-N 3.36Å; A79-L81 VanDerWaalsContact C-N 3.34Å; A79-R86 PolarHBondContact O-NH1 3.45Å
80G87.5Confident89.8Confident74 Ų7458.6 Ų58.676%0.76337%0.371SS*.G310 helixtrans-82.2-9.9178.200000114.2S77 H78S77-G80 PolarHBondContact O-N 3.45Å; H78-G80 PolarHBondContact O-N 3.3Å
81L89.8Confident90.5Very high52 Ų5255.6 Ų55.627%0.27234%0.34SS..SBendtrans-76.4153.3179.1-60.5174.2000111.2H78 A79 E85 R86 L89H78-L81 WeakPolarHBondContact O-CB 3.29Å; H78-L81 PolarHBondContact O-N 3.4Å; H78-L81 VanDerWaalsContact O-N 3.14Å; A79-L81 VanDerWaalsContact C-N 3.34Å; L81-E85 HydrophobicContact CB-CB 4.35Å; L81-R86 HydrophobicContact CB-CG 3.68Å; L81-R86 WeakPolarHBondContact O-CD 3.46Å; L81-R86 PolarHBondContact O-NH1 3.32Å; L81-L89 HydrophobicContact CD1-CD1 3.47Å; L81-L89 VanDerWaalsContact CD1-CD1 3.47Å
82P90.4Very high90.7Very high63 Ų6357.9 Ų57.941%0.40936%0.361SS..  trans-55.8144.6168.8-23.533.9000112.1H84 E85 R86P82-H84 WeakPolarHBondContact CB-CE1 3.3Å; P82-H84 WeakPolarHBondContact CB-ND1 3.22Å; P82-H84 PolarHBondContact O-N 2.94Å; P82-H84 VanDerWaalsContact O-N 3.1Å; P82-E85 HydrophobicContact CB-CG 4.34Å; P82-E85 WeakPolarHBondContact CD-OE2 3.35Å; P82-E85 HydrophobicContact CG-CG 4.36Å; P82-E85 WeakPolarHBondContact O-CB 3.49Å; P82-E85 PolarHBondContact O-N 3.47Å; P82-R86 PolarHBondContact O-N 2.97Å
83V89.5Confident91Very high45 Ų4553.8 Ų53.827%0.27333%0.332SS..Hα-helixtrans-54.6-36.4-174.967.50000113.7R86 L87 L195V83-R86 PolarHBondContact O-N 3.43Å; V83-L87 HydrophobicContact CG2-CD1 4.18Å; V83-L87 HydrophobicContact CG2-CG 4.46Å; V83-L87 VanDerWaalsContact O-CG 3.32Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 3.49Å; V83-L195 HydrophobicContact CB-CD2 4.37Å; V83-L195 HydrophobicContact CG1-CD2 3.88Å; V83-L195 HydrophobicContact CG2-CD2 3.58Å; V83-L195 HydrophobicContact CG2-CG 3.81Å
84H87.4Confident91.3Very high96 Ų9652.1 Ų52.144%0.44432%0.319SS..Hα-helixtrans-68.4-34.8177.968.5-89.8000112.6P82 R88P82-H84 WeakPolarHBondContact CB-CE1 3.3Å; P82-H84 WeakPolarHBondContact CB-ND1 3.22Å; P82-H84 PolarHBondContact O-N 2.94Å; P82-H84 VanDerWaalsContact O-N 3.1Å; H84-R88 VanDerWaalsContact O-CG 3.31Å; H84-R88 WeakPolarHBondContact O-CG 3.45Å; H84-R88 PolarHBondContact O-N 3.41Å
85E91.1Very high91.6Very high85 Ų8554 Ų5440%0.39734%0.336SS..Hα-helixtrans-72-40.6174.9-62-169.5169.200110.9L81 P82 R88 L89L81-E85 HydrophobicContact CB-CB 4.35Å; P82-E85 HydrophobicContact CB-CG 4.34Å; P82-E85 WeakPolarHBondContact CD-OE2 3.35Å; P82-E85 HydrophobicContact CG-CG 4.36Å; P82-E85 WeakPolarHBondContact O-CB 3.49Å; P82-E85 PolarHBondContact O-N 3.47Å; E85-R88 WeakPolarHBondContact O-CB 3.38Å; E85-R88 PolarHBondContact O-N 2.9Å; E85-L89 WeakPolarHBondContact O-CG 3.33Å; E85-L89 PolarHBondContact O-N 3.26Å
86R93.8Very high91.9Very high16 Ų1652.5 Ų52.56%0.0632%0.324CS..Hα-helixtrans-58-50.2175-63.3-168.8-49.9-121.95.4111.6H78 A79 L81 P82 V83 R88 L89 D90 D191 Q194H78-R86 WeakPolarHBondContact NE2-CA 3.47Å; H78-R86 WeakPolarHBondContact O-CD 3.45Å; H78-R86 WeakPolarHBondContact O-CG 3.4Å; A79-R86 PolarHBondContact O-NH1 3.45Å; L81-R86 HydrophobicContact CB-CG 3.68Å; L81-R86 WeakPolarHBondContact O-CD 3.46Å; L81-R86 PolarHBondContact O-NH1 3.32Å; P82-R86 PolarHBondContact O-N 2.97Å; V83-R86 PolarHBondContact O-N 3.43Å; R86-R88 VanDerWaalsContact C-N 3.25Å; R86-R88 PolarHBondContact O-N 3.48Å; R86-L89 WeakPolarHBondContact O-CB 3.42Å; R86-L89 PolarHBondContact O-N 2.94Å; R86-D90 PolarHBondContact O-N 3.44Å; R86-D191 WeakPolarHBondContact CD-OD1 3.48Å; R86-D191 IonicContact CZ-OD1 3.5Å; R86-D191 IonicContact NE-OD1 2.81Å; R86-D191 PolarHBondContact NE-OD1 2.9Å; R86-D191 IonicContact NH2-OD1 2.99Å; R86-D191 PolarHBondContact NH2-OD1 3.28Å; R86-Q194 VanDerWaalsContact NH2-CD 3.28Å
87L94.3Very high92.4Very high0 Ų046.5 Ų46.50%029%0.285CS..Hα-helixtrans-63.7-29.1178.3-69173.5000113.2V83 A91 V136 L140 D191 L192 L195V83-L87 HydrophobicContact CG2-CD1 4.18Å; V83-L87 HydrophobicContact CG2-CG 4.46Å; V83-L87 VanDerWaalsContact O-CG 3.32Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 3.49Å; L87-A91 WeakPolarHBondContact O-CB 3.41Å; L87-A91 PolarHBondContact O-N 2.99Å; L87-V136 HydrophobicContact CB-CG1 4.13Å; L87-V136 HydrophobicContact CD2-CG1 4.17Å; L87-V136 WeakPolarHBondContact O-CG1 3.39Å; L87-L140 HydrophobicContact CB-CD1 4.27Å; L87-L140 HydrophobicContact CB-CD2 3.84Å; L87-L140 HydrophobicContact CB-CG 4.1Å; L87-D191 HydrophobicContact CD2-CB 4.1Å; L87-L192 HydrophobicContact CD2-CD2 3.96Å; L87-L192 HydrophobicContact CD2-CG 4.18Å; L87-L195 HydrophobicContact CD1-CD1 3.53Å; L87-L195 HydrophobicContact CD1-CG 4.3Å
88R94.3Very high92.9Very high173 Ų17342.5 Ų42.565%0.65326%0.257SS*.Hα-helixtrans-68.5-41.2172.6-75.8177.978169.95.7111.6H84 E85 R86 A92 L140H84-R88 VanDerWaalsContact O-CG 3.31Å; H84-R88 WeakPolarHBondContact O-CG 3.45Å; H84-R88 PolarHBondContact O-N 3.41Å; E85-R88 WeakPolarHBondContact O-CB 3.38Å; E85-R88 PolarHBondContact O-N 2.9Å; R86-R88 VanDerWaalsContact C-N 3.25Å; R86-R88 PolarHBondContact O-N 3.48Å; R88-A92 WeakPolarHBondContact O-CB 3.21Å; R88-A92 PolarHBondContact O-N 3.02Å; R88-A92 VanDerWaalsContact O-N 3.07Å; R88-L140 HydrophobicContact CB-CD1 4.37Å; R88-L140 HydrophobicContact CG-CD1 3.69Å; R88-L140 HydrophobicContact CG-CD2 3.98Å; R88-L140 HydrophobicContact CG-CG 4.48Å
89L94.1Very high93.3Very high80 Ų8044.6 Ų44.642%0.41927%0.271SS..Hα-helixtrans-67-41.4175.4-66.4173.2000111.2L81 E85 R86 A92 A93L81-L89 HydrophobicContact CD1-CD1 3.47Å; L81-L89 VanDerWaalsContact CD1-CD1 3.47Å; E85-L89 WeakPolarHBondContact O-CG 3.33Å; E85-L89 PolarHBondContact O-N 3.26Å; R86-L89 WeakPolarHBondContact O-CB 3.42Å; R86-L89 PolarHBondContact O-N 2.94Å; L89-A92 PolarHBondContact O-N 3.43Å; L89-A93 WeakPolarHBondContact O-CB 3.46Å; L89-A93 PolarHBondContact O-N 3.36Å
90D95.8Very high93.7Very high0 Ų042.1 Ų42.10%025%0.25CC..Hα-helixtrans-56.3-51.4172.8-71.6-25.8000111.5H78 R86 A92 A93 L94 T188H78-D90 IonicContact CE1-OD1 3.03Å; R86-D90 PolarHBondContact O-N 3.44Å; D90-A92 VanDerWaalsContact C-N 3.34Å; D90-A92 PolarHBondContact O-N 3.32Å; D90-A93 PolarHBondContact O-N 3.48Å; D90-L94 WeakPolarHBondContact O-CB 3.29Å; D90-L94 VanDerWaalsContact O-CG 3.25Å; D90-L94 WeakPolarHBondContact O-CG 3.33Å; D90-L94 PolarHBondContact O-N 2.86Å; D90-T188 HydrophobicContact CB-CG2 4.21Å; D90-T188 WeakPolarHBondContact CB-OG1 3.31Å; D90-T188 VanDerWaalsContact CG-OG1 3.31Å; D90-T188 PolarHBondContact OD1-OG1 3.39Å; D90-T188 WeakPolarHBondContact OD2-CA 3.27Å
91A95.5Very high94.2Very high4 Ų438.6 Ų38.63%0.03321%0.213CC..Hα-helixtrans-58.3-44.8178.200000112.1L87 A93 L94 A95 V136 E137 L140L87-A91 WeakPolarHBondContact O-CB 3.41Å; L87-A91 PolarHBondContact O-N 2.99Å; A91-A93 PolarHBondContact O-N 3.4Å; A91-L94 PolarHBondContact O-N 3.1Å; A91-A95 WeakPolarHBondContact O-CB 3.24Å; A91-A95 PolarHBondContact O-N 2.8Å; A91-V136 HydrophobicContact CB-CG1 4.1Å; A91-E137 HydrophobicContact CB-CG 3.79Å; A91-L140 HydrophobicContact CB-CD1 4.45Å
92A94.6Very high94.5Very high60 Ų6038 Ų3850%0.49621%0.21SC..Hα-helixtrans-62.7-42.2177.800000112.2R88 L89 D90 A95 A96R88-A92 WeakPolarHBondContact O-CB 3.21Å; R88-A92 PolarHBondContact O-N 3.02Å; R88-A92 VanDerWaalsContact O-N 3.07Å; L89-A92 PolarHBondContact O-N 3.43Å; D90-A92 VanDerWaalsContact C-N 3.34Å; D90-A92 PolarHBondContact O-N 3.32Å; A92-A95 PolarHBondContact O-N 2.89Å; A92-A96 PolarHBondContact O-N 2.87Å; A92-A96 VanDerWaalsContact O-N 3.11Å
93A96Very high94.7Very high5 Ų536.9 Ų36.94%0.04120%0.202CC..Hα-helixtrans-65.7-44176.200000112.2L71 L89 D90 A91 A95 A96 L97 W184L71-A93 HydrophobicContact CD1-CB 3.83Å; L89-A93 WeakPolarHBondContact O-CB 3.46Å; L89-A93 PolarHBondContact O-N 3.36Å; D90-A93 PolarHBondContact O-N 3.48Å; A91-A93 PolarHBondContact O-N 3.4Å; A93-A95 VanDerWaalsContact C-N 3.28Å; A93-A95 PolarHBondContact O-N 3.29Å; A93-A96 PolarHBondContact O-N 3.25Å; A93-A96 VanDerWaalsContact O-N 3.11Å; A93-L97 WeakPolarHBondContact O-CG 3.33Å; A93-L97 PolarHBondContact O-N 3.25Å; A93-L97 VanDerWaalsContact O-N 3.15Å; A93-W184 HydrophobicContact CB-CD2 3.25Å; A93-W184 VanDerWaalsContact CB-CE2 3.4Å; A93-W184 HydrophobicContact CB-CE3 3.47Å; A93-W184 VanDerWaalsContact CB-CE3 3.47Å; A93-W184 HydrophobicContact CB-CG 3.75Å; A93-W184 HydrophobicContact CB-CH2 3.96Å; A93-W184 HydrophobicContact CB-CZ2 3.78Å; A93-W184 HydrophobicContact CB-CZ3 3.82Å
94L97.2Very high95Very high0 Ų035 Ų350%019%0.191CC..Hα-helixtrans-62-33.8175.6-70.8170000112.4D90 A91 L97 P98 L132 V136 L185 T188D90-L94 WeakPolarHBondContact O-CB 3.29Å; D90-L94 VanDerWaalsContact O-CG 3.25Å; D90-L94 WeakPolarHBondContact O-CG 3.33Å; D90-L94 PolarHBondContact O-N 2.86Å; A91-L94 PolarHBondContact O-N 3.1Å; L94-L97 HydrophobicContact CD2-CD1 4.23Å; L94-P98 WeakPolarHBondContact O-CD 3.44Å; L94-L132 HydrophobicContact CD1-CB 4.35Å; L94-L132 HydrophobicContact CD1-CD2 3.91Å; L94-L132 HydrophobicContact CD1-CG 3.88Å; L94-L132 HydrophobicContact CD2-CD2 4.17Å; L94-V136 HydrophobicContact CD1-CG2 4.4Å; L94-L185 HydrophobicContact CD2-CD2 3.93Å; L94-T188 HydrophobicContact CD1-CG2 4.14Å
95A95.4Very high95.5Very high60 Ų6033.9 Ų33.950%0.49618%0.183SC..Hα-helixtrans-71.6-30.7173.600000113.2A91 A92 A93 P98A91-A95 WeakPolarHBondContact O-CB 3.24Å; A91-A95 PolarHBondContact O-N 2.8Å; A92-A95 PolarHBondContact O-N 2.89Å; A93-A95 VanDerWaalsContact C-N 3.28Å; A93-A95 PolarHBondContact O-N 3.29Å; A95-P98 WeakPolarHBondContact O-CD 3.5Å
96A95.8Very high95.7Very high17 Ų1736.6 Ų36.614%0.1419%0.19CC..Hα-helixtrans-79.1-22.317900000113.8L71 A92 A93 P99 L100L71-A96 HydrophobicContact CD1-CB 4.34Å; A92-A96 PolarHBondContact O-N 2.87Å; A92-A96 VanDerWaalsContact O-N 3.11Å; A93-A96 PolarHBondContact O-N 3.25Å; A93-A96 VanDerWaalsContact O-N 3.11Å; A96-P99 WeakPolarHBondContact O-CD 3.32Å; A96-P99 WeakPolarHBondContact O-CG 3.16Å; A96-L100 WeakPolarHBondContact O-CG 3.32Å
97L96.6Very high95.7Very high0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-68.6-43.8-175.1-82.4160.3000115.9L71 A93 L94 L100 L101 A129 Y181 W184L71-L97 HydrophobicContact CD2-CD2 3.47Å; L71-L97 VanDerWaalsContact CD2-CD2 3.47Å; L71-L97 HydrophobicContact CD2-CG 3.72Å; A93-L97 WeakPolarHBondContact O-CG 3.33Å; A93-L97 PolarHBondContact O-N 3.25Å; A93-L97 VanDerWaalsContact O-N 3.15Å; L94-L97 HydrophobicContact CD2-CD1 4.23Å; L97-L100 WeakPolarHBondContact O-CB 3.3Å; L97-L100 PolarHBondContact O-N 3.43Å; L97-L100 VanDerWaalsContact O-N 3.12Å; L97-L101 HydrophobicContact CB-CD1 4.42Å; L97-L101 WeakPolarHBondContact O-CG 3.46Å; L97-L101 PolarHBondContact O-N 2.97Å; L97-A129 HydrophobicContact CB-CB 4.11Å; L97-Y181 HydrophobicContact CD1-CD2 4.12Å; L97-Y181 HydrophobicContact CD2-CD2 4.48Å; L97-W184 HydrophobicContact CD1-CB 4.16Å
98P97.5Very high95.8Very high2 Ų240 Ų401%0.01320%0.203CC..Hα-helixtrans-52.5-51.4-177.3-25.931.2000115.2L94 A95 L100 L101 D102 A126 A129 R130L94-P98 WeakPolarHBondContact O-CD 3.44Å; A95-P98 WeakPolarHBondContact O-CD 3.5Å; P98-L100 VanDerWaalsContact C-N 3.25Å; P98-L100 PolarHBondContact O-N 3.39Å; P98-L101 PolarHBondContact O-N 2.96Å; P98-D102 PolarHBondContact O-N 3.3Å; P98-A126 HydrophobicContact CB-CB 4.18Å; P98-A126 WeakPolarHBondContact CG-O 3.4Å; P98-A129 HydrophobicContact CG-CB 4.21Å; P98-R130 HydrophobicContact CG-CB 4.09Å
99P96Very high95.8Very high49 Ų4933.9 Ų33.932%0.31819%0.188SC..Hα-helixtrans-63.2-31.9179.525-34.7000112.8A96 D102 V103 A159A96-P99 WeakPolarHBondContact O-CD 3.32Å; A96-P99 WeakPolarHBondContact O-CG 3.16Å; P99-D102 PolarHBondContact O-N 2.86Å; P99-V103 WeakPolarHBondContact O-CG2 3.48Å; P99-V103 PolarHBondContact O-N 3.44Å; P99-V103 VanDerWaalsContact O-N 3.11Å; P99-A159 HydrophobicContact CG-CB 4.28Å
100L95.8Very high95.8Very high3 Ų336 Ų362%0.01620%0.196CC..Hα-helixtrans-68.3-45.8176.2-61.8171.6000111.3V68 L71 A96 L97 P98 D102 V103 V104 A161 V177V68-L100 HydrophobicContact CG1-CD1 3.63Å; V68-L100 HydrophobicContact CG1-CD2 3.72Å; V68-L100 HydrophobicContact CG1-CG 4.28Å; L71-L100 HydrophobicContact CB-CD1 3.86Å; L71-L100 HydrophobicContact CD2-CD1 3.7Å; L71-L100 HydrophobicContact CG-CD1 4.45Å; A96-L100 WeakPolarHBondContact O-CG 3.32Å; L97-L100 WeakPolarHBondContact O-CB 3.3Å; L97-L100 PolarHBondContact O-N 3.43Å; L97-L100 VanDerWaalsContact O-N 3.12Å; P98-L100 VanDerWaalsContact C-N 3.25Å; P98-L100 PolarHBondContact O-N 3.39Å; L100-D102 VanDerWaalsContact C-N 3.28Å; L100-D102 PolarHBondContact O-N 2.9Å; L100-V103 WeakPolarHBondContact O-CB 3.21Å; L100-V103 PolarHBondContact O-N 2.98Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.49Å; L100-V104 VanDerWaalsContact O-N 3.08Å; L100-A161 HydrophobicContact CD2-CB 4.08Å; L100-V177 HydrophobicContact CB-CG1 3.88Å; L100-V177 HydrophobicContact CB-CG2 4.22Å
101L97.5Very high95.6Very high0 Ų038.6 Ų38.60%021%0.21CC..Hα-helixtrans-61.3-37.8175.8-71.9164.2000111.6L97 P98 V104 R105 L122 A125 A126 V177 Y181L97-L101 HydrophobicContact CB-CD1 4.42Å; L97-L101 WeakPolarHBondContact O-CG 3.46Å; L97-L101 PolarHBondContact O-N 2.97Å; P98-L101 PolarHBondContact O-N 2.96Å; L101-V104 PolarHBondContact O-N 3.45Å; L101-R105 WeakPolarHBondContact O-CB 3.47Å; L101-R105 PolarHBondContact O-N 3.35Å; L101-L122 HydrophobicContact CD2-CD2 4.15Å; L101-A125 HydrophobicContact CD1-CB 3.95Å; L101-A125 HydrophobicContact CD2-CB 4.36Å; L101-A126 HydrophobicContact CB-CB 4.01Å; L101-A126 HydrophobicContact CD1-CB 4.29Å; L101-V177 HydrophobicContact CD2-CG1 3.94Å; L101-V177 HydrophobicContact CG-CG1 4.18Å; L101-Y181 HydrophobicContact CD1-CD2 4.16Å; L101-Y181 HydrophobicContact CD1-CE2 4.49Å; L101-Y181 HydrophobicContact CD1-CG 4.42Å
102D96.4Very high95.5Very high39 Ų3940.3 Ų40.321%0.20922%0.219CC..Hα-helixtrans-66.5-34.3175-81-38.4000113.5P98 P99 L100 R105 R106P98-D102 PolarHBondContact O-N 3.3Å; P99-D102 PolarHBondContact O-N 2.86Å; L100-D102 VanDerWaalsContact C-N 3.28Å; L100-D102 PolarHBondContact O-N 2.9Å; D102-R105 IonicContact OD1-NE 3.59Å; D102-R106 WeakPolarHBondContact O-CG 3.44Å; D102-R106 PolarHBondContact O-N 2.81Å; D102-R106 PolarHBondContact O-NE 2.97Å
103V94.8Very high95.4Very high40 Ų4041.2 Ų41.224%0.24222%0.219CC..Hα-helixtrans-64.9-46.6172.1168.30000110.1P99 L100 R105 R106 R107 A161P99-V103 WeakPolarHBondContact O-CG2 3.48Å; P99-V103 PolarHBondContact O-N 3.44Å; P99-V103 VanDerWaalsContact O-N 3.11Å; L100-V103 WeakPolarHBondContact O-CB 3.21Å; L100-V103 PolarHBondContact O-N 2.98Å; V103-R105 VanDerWaalsContact C-N 3.34Å; V103-R105 PolarHBondContact O-N 2.92Å; V103-R106 PolarHBondContact O-N 2.84Å; V103-R107 WeakPolarHBondContact O-CG 3.39Å; V103-R107 PolarHBondContact O-N 3.32Å; V103-A161 HydrophobicContact CG1-CB 4.22Å; V103-A161 HydrophobicContact CG2-CB 4.24Å
104V95.9Very high95.4Very high5 Ų552.1 Ų52.13%0.0326%0.259CS..Hα-helixtrans-61.3-44.2177.7178.60000111Y48 L100 L101 R106 R107 Q108 L122 V177Y48-V104 HydrophobicContact CE2-CG1 3.83Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.49Å; L100-V104 VanDerWaalsContact O-N 3.08Å; L101-V104 PolarHBondContact O-N 3.45Å; V104-R106 PolarHBondContact O-N 3.2Å; V104-R107 PolarHBondContact O-N 3.4Å; V104-Q108 HydrophobicContact CG1-CG 4.26Å; V104-Q108 WeakPolarHBondContact O-CB 3.31Å; V104-Q108 WeakPolarHBondContact O-CG 3.25Å; V104-Q108 PolarHBondContact O-N 3.4Å; V104-L122 HydrophobicContact CG1-CD1 4.08Å; V104-L122 HydrophobicContact CG1-CD2 4.05Å; V104-V177 HydrophobicContact CG2-CB 3.83Å; V104-V177 HydrophobicContact CG2-CG1 3.96Å; V104-V177 HydrophobicContact CG2-CG2 4.02Å
105R97.1Very high95.3Very high73 Ų7352.9 Ų52.928%0.27527%0.265SS..Hα-helixtrans-57.3-48.7176.6-171.1-178.369.4102.811.5111.9L101 D102 V103 R107 Q108 A109 L119 L122 E123L101-R105 WeakPolarHBondContact O-CB 3.47Å; L101-R105 PolarHBondContact O-N 3.35Å; D102-R105 IonicContact OD1-NE 3.59Å; V103-R105 VanDerWaalsContact C-N 3.34Å; V103-R105 PolarHBondContact O-N 2.92Å; R105-R107 PolarHBondContact O-N 2.84Å; R105-Q108 PolarHBondContact O-N 2.94Å; R105-A109 PolarHBondContact O-N 2.99Å; R105-L119 WeakPolarHBondContact CD-O 3.33Å; R105-L119 HydrophobicContact CG-CB 4.44Å; R105-L119 HydrophobicContact CG-CD2 4.19Å; R105-L119 WeakPolarHBondContact O-CD2 3.43Å; R105-L122 HydrophobicContact CB-CB 3.94Å; R105-L122 HydrophobicContact CB-CD1 4.18Å; R105-L122 HydrophobicContact CG-CB 4.14Å; R105-E123 IonicContact CZ-OE2 3.61Å; R105-E123 IonicContact NH1-OE2 3.44Å; R105-E123 PolarHBondContact NH1-OE2 3.37Å
106R95.9Very high95.3Very high143 Ų14354.9 Ų54.954%0.5426%0.264SS..Hα-helixtrans-60.2-44.6178.2-78-177.7-89.7-164.5-4.2112D102 V103 V104 Q108 A109 E110D102-R106 WeakPolarHBondContact O-CG 3.44Å; D102-R106 PolarHBondContact O-N 2.81Å; D102-R106 PolarHBondContact O-NE 2.97Å; V103-R106 PolarHBondContact O-N 2.84Å; V104-R106 PolarHBondContact O-N 3.2Å; R106-Q108 PolarHBondContact O-N 3.05Å; R106-A109 WeakPolarHBondContact O-CB 3.39Å; R106-A109 PolarHBondContact O-N 3.04Å; R106-E110 PolarHBondContact O-N 3.07Å
107R93.9Very high95.4Very high87 Ų8761.3 Ų61.333%0.32829%0.285SS..Hα-helixtrans-63.6-40.7175.5-67.9-58.2-171.3-168.52.1112.9V103 V104 R105 A109 E110 L111V103-R107 WeakPolarHBondContact O-CG 3.39Å; V103-R107 PolarHBondContact O-N 3.32Å; V104-R107 PolarHBondContact O-N 3.4Å; R105-R107 PolarHBondContact O-N 2.84Å; R107-A109 VanDerWaalsContact C-N 3.28Å; R107-A109 PolarHBondContact O-N 2.83Å; R107-E110 WeakPolarHBondContact CD-OE2 3.5Å; R107-E110 IonicContact CZ-OE2 3.9Å; R107-E110 IonicContact NH1-OE1 3.78Å; R107-E110 IonicContact NH1-OE2 2.88Å; R107-E110 PolarHBondContact NH1-OE2 3.38Å; R107-E110 WeakPolarHBondContact O-CB 3.38Å; R107-E110 PolarHBondContact O-N 3.36Å; R107-L111 WeakPolarHBondContact O-CB 3.46Å; R107-L111 WeakPolarHBondContact O-CG 3.25Å; R107-L111 PolarHBondContact O-N 2.86Å
108Q95.2Very high95.4Very high1 Ų161.4 Ų61.41%0.00529%0.286CS..Hα-helixtrans-68.9-28.4176.6-71.1-63.5-43.900112.2Y48 Q52 V104 R105 R106 E110 N112 L118 L119 L122Y48-Q108 HydrophobicContact CE2-CG 3.9Å; Y48-Q108 PolarHBondContact OH-NE2 3.33Å; Q52-Q108 VanDerWaalsContact NE2-OE1 3.17Å; V104-Q108 HydrophobicContact CG1-CG 4.26Å; V104-Q108 WeakPolarHBondContact O-CB 3.31Å; V104-Q108 WeakPolarHBondContact O-CG 3.25Å; V104-Q108 PolarHBondContact O-N 3.4Å; R105-Q108 PolarHBondContact O-N 2.94Å; R106-Q108 PolarHBondContact O-N 3.05Å; Q108-E110 VanDerWaalsContact C-N 3.33Å; Q108-N112 CarbonylContact O-C 3.58Å; Q108-N112 VanDerWaalsContact O-C 3.24Å; Q108-N112 VanDerWaalsContact O-CA 3.3Å; Q108-N112 WeakPolarHBondContact O-CA 3.38Å; Q108-N112 PolarHBondContact O-N 3.47Å; Q108-N112 PolarHBondContact OE1-ND2 2.88Å; Q108-L118 HydrophobicContact CB-CD2 4.47Å; Q108-L118 HydrophobicContact CG-CD2 4.15Å; Q108-L119 HydrophobicContact CB-CD2 3.71Å; Q108-L122 HydrophobicContact CB-CD1 4.42Å; Q108-L122 HydrophobicContact CG-CD1 4.28Å
109A95.5Very high95.4Very high43 Ų4362.2 Ų62.236%0.35529%0.29SS..Hα-helixtrans-67.5-35.417300000111.8R105 R106 R107 P113 L119R105-A109 PolarHBondContact O-N 2.99Å; R106-A109 WeakPolarHBondContact O-CB 3.39Å; R106-A109 PolarHBondContact O-N 3.04Å; R107-A109 VanDerWaalsContact C-N 3.28Å; R107-A109 PolarHBondContact O-N 2.83Å; A109-P113 WeakPolarHBondContact O-CA 3.49Å; A109-P113 WeakPolarHBondContact O-CB 3.34Å; A109-L119 HydrophobicContact CB-CD1 4.03Å; A109-L119 HydrophobicContact CB-CD2 4.1Å
110E94Very high95.5Very high125 Ų12567.9 Ų67.958%0.58431%0.305SS*.Hα-helixtrans-70.5-46.2173.5-66.1166.6-17400111.8R106 R107 Q108R106-E110 PolarHBondContact O-N 3.07Å; R107-E110 WeakPolarHBondContact CD-OE2 3.5Å; R107-E110 IonicContact CZ-OE2 3.9Å; R107-E110 IonicContact NH1-OE1 3.78Å; R107-E110 IonicContact NH1-OE2 2.88Å; R107-E110 PolarHBondContact NH1-OE2 3.38Å; R107-E110 WeakPolarHBondContact O-CB 3.38Å; R107-E110 PolarHBondContact O-N 3.36Å; Q108-E110 VanDerWaalsContact C-N 3.33Å
111L91.9Very high95.6Very high55 Ų5570.7 Ų70.729%0.28832%0.315SS..Hα-helixtrans-80-38.5-174.1-66.1175.7000113.4R107 V167 K171R107-L111 WeakPolarHBondContact O-CB 3.46Å; R107-L111 WeakPolarHBondContact O-CG 3.25Å; R107-L111 PolarHBondContact O-N 2.86Å; L111-V167 HydrophobicContact CD1-CG1 4.38Å; L111-V167 HydrophobicContact CD2-CB 4.4Å; L111-V167 HydrophobicContact CD2-CG1 3.84Å; L111-V167 HydrophobicContact CD2-CG2 4Å; L111-K171 HydrophobicContact CD1-CG 4.29Å
112N92.9Very high95.7Very high40 Ų4070.7 Ų70.721%0.21432%0.315CS..  trans-135.962.7-171.6-62.7-61.5000110.6L51 Q108 R114 A115L51-N112 HydrophobicContact CD2-CB 3.93Å; Q108-N112 CarbonylContact O-C 3.58Å; Q108-N112 VanDerWaalsContact O-C 3.24Å; Q108-N112 VanDerWaalsContact O-CA 3.3Å; Q108-N112 WeakPolarHBondContact O-CA 3.38Å; Q108-N112 PolarHBondContact O-N 3.47Å; Q108-N112 PolarHBondContact OE1-ND2 2.88Å; N112-R114 PolarHBondContact O-N 3.47Å; N112-A115 HydrophobicContact CB-CB 3.91Å; N112-A115 VanDerWaalsContact O-CB 3.32Å; N112-A115 WeakPolarHBondContact O-CB 3.44Å; N112-A115 PolarHBondContact O-N 2.89Å
113P93Very high95.8Very high78 Ų7872 Ų7251%0.50632%0.32SS..THydrogen-bonded Turntrans-60.4-22.8-173.622.7-34.3000114A109 Q116A109-P113 WeakPolarHBondContact O-CA 3.49Å; A109-P113 WeakPolarHBondContact O-CB 3.34Å; P113-Q116 PolarHBondContact O-NE2 3.43Å
114R94.8Very high95.9Very high235 Ų23573 Ų7389%0.88732%0.324SS*.THydrogen-bonded Turntrans-82.5-11.3177.4-63.7-178.1-178.9159.80.2113.4N112 Q116N112-R114 PolarHBondContact O-N 3.47Å; R114-Q116 PolarHBondContact O-N 3.39Å
115A95.3Very high96.1Very high15 Ų1572.9 Ų72.912%0.12432%0.324CS..  trans-80.751.9-17900000112.7L51 N112 R117 L118 L119L51-A115 HydrophobicContact CD1-CB 3.97Å; L51-A115 HydrophobicContact CD2-CB 3.36Å; L51-A115 HydrophobicContact CG-CB 4.31Å; N112-A115 HydrophobicContact CB-CB 3.91Å; N112-A115 VanDerWaalsContact O-CB 3.32Å; N112-A115 WeakPolarHBondContact O-CB 3.44Å; N112-A115 PolarHBondContact O-N 2.89Å; A115-R117 PolarHBondContact O-N 3.07Å; A115-R117 VanDerWaalsContact O-N 3.14Å; A115-L118 HydrophobicContact CB-CB 4.26Å; A115-L118 PolarHBondContact O-N 3.25Å; A115-L119 WeakPolarHBondContact O-CG 3.39Å; A115-L119 PolarHBondContact O-N 3.24Å; A115-L119 VanDerWaalsContact O-N 3.12Å
116Q96.1Very high96.1Very high102 Ų10269.6 Ų69.648%0.47731%0.312SS..Hα-helixtrans-55.2-36-173.9-67.3-65.9-40.800113.1P113 R114 L119 R120P113-Q116 PolarHBondContact O-NE2 3.43Å; R114-Q116 PolarHBondContact O-N 3.39Å; Q116-L119 PolarHBondContact O-N 3.26Å; Q116-R120 WeakPolarHBondContact O-CG 3.42Å; Q116-R120 PolarHBondContact O-N 2.98Å
117R96.8Very high96.2Very high153 Ų15368.3 Ų68.358%0.57731%0.307SS*.Hα-helixtrans-64-46.2177-174.3-178.5144.1166.4-3.9112.1E47 A115 R120 R121E47-R117 VanDerWaalsContact CD-NE 3.28Å; E47-R117 VanDerWaalsContact OE1-CD 3.3Å; E47-R117 WeakPolarHBondContact OE1-CD 3.31Å; E47-R117 VanDerWaalsContact OE1-CG 3.22Å; E47-R117 WeakPolarHBondContact OE1-CG 3.45Å; E47-R117 IonicContact OE1-CZ 2.71Å; E47-R117 IonicContact OE1-NE 3.75Å; E47-R117 PolarHBondContact OE1-NE 3.09Å; E47-R117 IonicContact OE2-CZ 3.57Å; E47-R117 IonicContact OE2-NE 3.7Å; E47-R117 PolarHBondContact OE2-NE 2.96Å; E47-R117 IonicContact OE2-NH2 3.56Å; E47-R117 PolarHBondContact OE2-NH2 3.34Å; A115-R117 PolarHBondContact O-N 3.07Å; A115-R117 VanDerWaalsContact O-N 3.14Å; R117-R120 PolarHBondContact O-N 3.22Å; R117-R121 VanDerWaalsContact NH2-NH2 3.17Å; R117-R121 WeakPolarHBondContact O-CG 3.01Å; R117-R121 PolarHBondContact O-N 2.91Å
118L97.3Very high96.5Very high2 Ų266.5 Ų66.51%0.0130%0.302CS..Hα-helixtrans-62.5-44.4176.6177.264.4000111.1L44 Y48 L51 Q108 A115 R120 R121 L122L44-L118 HydrophobicContact CD1-CD1 3.67Å; Y48-L118 HydrophobicContact CD2-CD1 4.3Å; Y48-L118 HydrophobicContact CD2-CD2 4.07Å; L51-L118 HydrophobicContact CD2-CB 4.39Å; L51-L118 HydrophobicContact CD2-CD2 3.33Å; L51-L118 HydrophobicContact CD2-CG 4.47Å; Q108-L118 HydrophobicContact CB-CD2 4.47Å; Q108-L118 HydrophobicContact CG-CD2 4.15Å; A115-L118 HydrophobicContact CB-CB 4.26Å; A115-L118 PolarHBondContact O-N 3.25Å; L118-R120 VanDerWaalsContact C-N 3.32Å; L118-R120 PolarHBondContact O-N 2.89Å; L118-R121 PolarHBondContact O-N 3.47Å; L118-L122 HydrophobicContact CD1-CD1 4.22Å; L118-L122 HydrophobicContact CD1-CG 4.24Å; L118-L122 HydrophobicContact CG-CD1 3.96Å; L118-L122 HydrophobicContact CG-CG 4.43Å; L118-L122 WeakPolarHBondContact O-CG 3.28Å; L118-L122 PolarHBondContact O-N 3.08Å
119L97.8Very high96.6Very high19 Ų1966.5 Ų66.510%0.09930%0.302CS..Hα-helixtrans-59.8-43.4179.8-60.7-179.8000111.8R105 Q108 A109 A115 Q116 L122 E123R105-L119 WeakPolarHBondContact CD-O 3.33Å; R105-L119 HydrophobicContact CG-CB 4.44Å; R105-L119 HydrophobicContact CG-CD2 4.19Å; R105-L119 WeakPolarHBondContact O-CD2 3.43Å; Q108-L119 HydrophobicContact CB-CD2 3.71Å; A109-L119 HydrophobicContact CB-CD1 4.03Å; A109-L119 HydrophobicContact CB-CD2 4.1Å; A115-L119 WeakPolarHBondContact O-CG 3.39Å; A115-L119 PolarHBondContact O-N 3.24Å; A115-L119 VanDerWaalsContact O-N 3.12Å; Q116-L119 PolarHBondContact O-N 3.26Å; L119-L122 PolarHBondContact O-N 3.04Å; L119-E123 PolarHBondContact O-N 3.16Å; L119-E123 VanDerWaalsContact O-N 3.16Å
120R98.1Very high96.7Very high167 Ų16770.9 Ų70.963%0.6331%0.309SS*.Hα-helixtrans-63.1-46.1174.7-71.1175.5-170.9-1741.8111.7Q116 R117 L118 L122 E123 D124Q116-R120 WeakPolarHBondContact O-CG 3.42Å; Q116-R120 PolarHBondContact O-N 2.98Å; R117-R120 PolarHBondContact O-N 3.22Å; L118-R120 VanDerWaalsContact C-N 3.32Å; L118-R120 PolarHBondContact O-N 2.89Å; R120-L122 VanDerWaalsContact C-N 3.33Å; R120-L122 PolarHBondContact O-N 3.29Å; R120-E123 WeakPolarHBondContact O-CB 3.49Å; R120-E123 PolarHBondContact O-N 3.18Å; R120-E123 VanDerWaalsContact O-N 3.12Å; R120-D124 PolarHBondContact O-N 2.81Å
121R97.9Very high96.9Very high63 Ų6367.6 Ų67.624%0.23830%0.304CS..Hα-helixtrans-62-37.5178.6-74.4-178.1174.3-111.32.6113.1L44 E47 R117 L118 E123 D124 A125L44-R121 HydrophobicContact CD1-CB 3.95Å; E47-R121 WeakPolarHBondContact OE2-CD 3.36Å; E47-R121 IonicContact OE2-CZ 3.69Å; E47-R121 IonicContact OE2-NE 3.65Å; E47-R121 PolarHBondContact OE2-NE 3.08Å; R117-R121 VanDerWaalsContact NH2-NH2 3.17Å; R117-R121 WeakPolarHBondContact O-CG 3.01Å; R117-R121 PolarHBondContact O-N 2.91Å; L118-R121 PolarHBondContact O-N 3.47Å; R121-E123 VanDerWaalsContact C-N 3.33Å; R121-D124 PolarHBondContact O-N 3.15Å; R121-A125 VanDerWaalsContact O-CB 3.29Å; R121-A125 WeakPolarHBondContact O-CB 3.31Å; R121-A125 PolarHBondContact O-N 3.14Å
122L98.4Very high97.2Very high0 Ų065 Ų650%029%0.29CS..Hα-helixtrans-65.4-38.9174.9-73.7165.9000111.6L44 L101 V104 R105 Q108 L118 L119 R120 A126L44-L122 HydrophobicContact CD1-CD2 3.93Å; L44-L122 HydrophobicContact CD1-CG 4.06Å; L44-L122 HydrophobicContact CD2-CD2 4.2Å; L101-L122 HydrophobicContact CD2-CD2 4.15Å; V104-L122 HydrophobicContact CG1-CD1 4.08Å; V104-L122 HydrophobicContact CG1-CD2 4.05Å; R105-L122 HydrophobicContact CB-CB 3.94Å; R105-L122 HydrophobicContact CB-CD1 4.18Å; R105-L122 HydrophobicContact CG-CB 4.14Å; Q108-L122 HydrophobicContact CB-CD1 4.42Å; Q108-L122 HydrophobicContact CG-CD1 4.28Å; L118-L122 HydrophobicContact CD1-CD1 4.22Å; L118-L122 HydrophobicContact CD1-CG 4.24Å; L118-L122 HydrophobicContact CG-CD1 3.96Å; L118-L122 HydrophobicContact CG-CG 4.43Å; L118-L122 WeakPolarHBondContact O-CG 3.28Å; L118-L122 PolarHBondContact O-N 3.08Å; L119-L122 PolarHBondContact O-N 3.04Å; R120-L122 VanDerWaalsContact C-N 3.33Å; R120-L122 PolarHBondContact O-N 3.29Å; L122-A126 PolarHBondContact O-N 3.25Å; L122-A126 VanDerWaalsContact O-N 3.09Å
123E98.4Very high97.4Very high66 Ų6663.3 Ų63.331%0.30828%0.282SS..Hα-helixtrans-68.4-43.2175.9-157-177127.400112.2R105 L119 R120 R121 A125 A126 R127R105-E123 IonicContact CZ-OE2 3.61Å; R105-E123 IonicContact NH1-OE2 3.44Å; R105-E123 PolarHBondContact NH1-OE2 3.37Å; L119-E123 PolarHBondContact O-N 3.16Å; L119-E123 VanDerWaalsContact O-N 3.16Å; R120-E123 WeakPolarHBondContact O-CB 3.49Å; R120-E123 PolarHBondContact O-N 3.18Å; R120-E123 VanDerWaalsContact O-N 3.12Å; R121-E123 VanDerWaalsContact C-N 3.33Å; E123-A125 VanDerWaalsContact C-N 3.35Å; E123-A126 PolarHBondContact O-N 3.17Å; E123-R127 PolarHBondContact O-N 3.32Å; E123-R127 VanDerWaalsContact O-N 3.1Å; E123-R127 IonicContact OE1-CZ 2.73Å; E123-R127 IonicContact OE1-NH1 3.7Å; E123-R127 PolarHBondContact OE1-NH1 3.5Å; E123-R127 IonicContact OE1-NH2 3.49Å
124D98.5Very high97.5Very high62 Ų6262.3 Ų62.333%0.33228%0.28SS..Hα-helixtrans-59.5-45.9173.2-72.5-36.4000110.9R120 R121 A126 R127 Q128R120-D124 PolarHBondContact O-N 2.81Å; R121-D124 PolarHBondContact O-N 3.15Å; D124-A126 VanDerWaalsContact C-N 3.3Å; D124-A126 PolarHBondContact O-N 3.45Å; D124-R127 WeakPolarHBondContact O-CB 3.3Å; D124-R127 PolarHBondContact O-N 3.38Å; D124-R127 VanDerWaalsContact O-N 3.13Å; D124-R127 IonicContact OD1-CZ 3.73Å; D124-R127 IonicContact OD1-NE 2.96Å; D124-R127 IonicContact OD1-NH2 2.71Å; D124-R127 PolarHBondContact OD1-NH2 3.16Å; D124-Q128 WeakPolarHBondContact O-CB 3.37Å; D124-Q128 WeakPolarHBondContact O-CG 3.5Å; D124-Q128 PolarHBondContact O-N 3.43Å
125A98.5Very high97.6Very high2 Ų252.2 Ų52.22%0.01725%0.247CC..Hα-helixtrans-58.8-40.9176.900000112.1L44 L101 R121 E123 R127 Q128 A129 Y181L44-A125 HydrophobicContact CD2-CB 3.75Å; L101-A125 HydrophobicContact CD1-CB 3.95Å; L101-A125 HydrophobicContact CD2-CB 4.36Å; R121-A125 VanDerWaalsContact O-CB 3.29Å; R121-A125 WeakPolarHBondContact O-CB 3.31Å; R121-A125 PolarHBondContact O-N 3.14Å; E123-A125 VanDerWaalsContact C-N 3.35Å; A125-R127 VanDerWaalsContact C-N 3.35Å; A125-R127 PolarHBondContact O-N 2.94Å; A125-Q128 PolarHBondContact O-N 3.5Å; A125-A129 WeakPolarHBondContact O-CB 3.5Å; A125-A129 PolarHBondContact O-N 2.97Å; A125-Y181 HydrophobicContact CB-CD1 4.27Å; A125-Y181 HydrophobicContact CB-CE1 3.63Å; A125-Y181 HydrophobicContact CB-CE2 4.41Å
126A98.2Very high97.7Very high3 Ų351.5 Ų51.53%0.02524%0.241CC..Hα-helixtrans-64.2-39.4176.400000112P98 L101 L122 E123 D124 R130P98-A126 HydrophobicContact CB-CB 4.18Å; P98-A126 WeakPolarHBondContact CG-O 3.4Å; L101-A126 HydrophobicContact CB-CB 4.01Å; L101-A126 HydrophobicContact CD1-CB 4.29Å; L122-A126 PolarHBondContact O-N 3.25Å; L122-A126 VanDerWaalsContact O-N 3.09Å; E123-A126 PolarHBondContact O-N 3.17Å; D124-A126 VanDerWaalsContact C-N 3.3Å; D124-A126 PolarHBondContact O-N 3.45Å; A126-R130 PolarHBondContact O-N 3.04Å
127R98.4Very high97.6Very high116 Ų11650.6 Ų50.644%0.43824%0.237SC..Hα-helixtrans-67.1-45.2173.7-74-171.8-76.2-93.51.7112.2E123 D124 A125 R130 A131E123-R127 PolarHBondContact O-N 3.32Å; E123-R127 VanDerWaalsContact O-N 3.1Å; E123-R127 IonicContact OE1-CZ 2.73Å; E123-R127 IonicContact OE1-NH1 3.7Å; E123-R127 PolarHBondContact OE1-NH1 3.5Å; E123-R127 IonicContact OE1-NH2 3.49Å; D124-R127 WeakPolarHBondContact O-CB 3.3Å; D124-R127 PolarHBondContact O-N 3.38Å; D124-R127 VanDerWaalsContact O-N 3.13Å; D124-R127 IonicContact OD1-CZ 3.73Å; D124-R127 IonicContact OD1-NE 2.96Å; D124-R127 IonicContact OD1-NH2 2.71Å; D124-R127 PolarHBondContact OD1-NH2 3.16Å; A125-R127 VanDerWaalsContact C-N 3.35Å; A125-R127 PolarHBondContact O-N 2.94Å; R127-R130 PolarHBondContact O-N 3.23Å; R127-A131 WeakPolarHBondContact O-CB 3.46Å; R127-A131 PolarHBondContact O-N 3.37Å
128Q98.4Very high97.3Very high50 Ų5045.3 Ų45.323%0.23423%0.226CC..Hα-helixtrans-63.4-44.6-178.5-73.8167.8-8.600111.7L37 D124 A125 R130 A131 L132 Y181L37-Q128 HydrophobicContact CD1-CB 3.94Å; L37-Q128 HydrophobicContact CD2-CB 3.69Å; L37-Q128 VanDerWaalsContact CD2-CD 3.41Å; L37-Q128 HydrophobicContact CD2-CG 3.58Å; L37-Q128 HydrophobicContact CG-CB 4.44Å; D124-Q128 WeakPolarHBondContact O-CB 3.37Å; D124-Q128 WeakPolarHBondContact O-CG 3.5Å; D124-Q128 PolarHBondContact O-N 3.43Å; A125-Q128 PolarHBondContact O-N 3.5Å; Q128-R130 VanDerWaalsContact C-N 3.34Å; Q128-R130 PolarHBondContact O-N 2.98Å; Q128-A131 PolarHBondContact O-N 3.18Å; Q128-L132 PolarHBondContact O-N 3.24Å; Q128-Y181 PolarHBondContact OE1-OH 3.43Å
129A98.1Very high97.1Very high0 Ų045.2 Ų45.20%023%0.226CC..Hα-helixtrans-57-47174.600000111.5L97 P98 A125 L132 G133 Y181L97-A129 HydrophobicContact CB-CB 4.11Å; P98-A129 HydrophobicContact CG-CB 4.21Å; A125-A129 WeakPolarHBondContact O-CB 3.5Å; A125-A129 PolarHBondContact O-N 2.97Å; A129-L132 PolarHBondContact O-N 2.98Å; A129-G133 PolarHBondContact O-N 2.95Å; A129-Y181 HydrophobicContact CB-CD2 4.44Å; A129-Y181 HydrophobicContact CB-CE2 3.96Å
130R98.1Very high96.7Very high135 Ų13545.9 Ų45.951%0.50923%0.229SC..Hα-helixtrans-62.3-44.8177.5-172.6-178.8-67.2104.6-3.3112P98 A126 R127 Q128 G133 A134P98-R130 HydrophobicContact CG-CB 4.09Å; A126-R130 PolarHBondContact O-N 3.04Å; R127-R130 PolarHBondContact O-N 3.23Å; Q128-R130 VanDerWaalsContact C-N 3.34Å; Q128-R130 PolarHBondContact O-N 2.98Å; R130-G133 PolarHBondContact O-N 2.86Å; R130-A134 WeakPolarHBondContact O-CB 3.03Å; R130-A134 PolarHBondContact O-N 2.91Å
131A97.8Very high96.3Very high57 Ų5739.8 Ų39.847%0.47121%0.214SC..Hα-helixtrans-64.3-44.6-179.900000112R127 Q128 A134 A135R127-A131 WeakPolarHBondContact O-CB 3.46Å; R127-A131 PolarHBondContact O-N 3.37Å; Q128-A131 PolarHBondContact O-N 3.18Å; A131-A134 PolarHBondContact O-N 3.15Å; A131-A135 PolarHBondContact O-N 3.21Å
132L98.3Very high95.7Very high0 Ų038.6 Ų38.60%022%0.218CC..Hα-helixtrans-65.7-43.7176.1-177.265.9000111.4T30 L33 A34 L37 L94 Q128 A129 A134 A135 V136 L185 T188T30-L132 HydrophobicContact CG2-CD1 3.86Å; L33-L132 HydrophobicContact CD2-CD1 4.08Å; L33-L132 HydrophobicContact CG-CD1 4.22Å; A34-L132 HydrophobicContact CB-CD1 4.06Å; A34-L132 HydrophobicContact CB-CD2 4.06Å; L37-L132 HydrophobicContact CD1-CB 3.98Å; L37-L132 HydrophobicContact CD1-CD2 4.19Å; L94-L132 HydrophobicContact CD1-CB 4.35Å; L94-L132 HydrophobicContact CD1-CD2 3.91Å; L94-L132 HydrophobicContact CD1-CG 3.88Å; L94-L132 HydrophobicContact CD2-CD2 4.17Å; Q128-L132 PolarHBondContact O-N 3.24Å; A129-L132 PolarHBondContact O-N 2.98Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-A134 PolarHBondContact O-N 3.47Å; L132-A135 WeakPolarHBondContact O-CB 3.42Å; L132-A135 PolarHBondContact O-N 3.05Å; L132-A135 VanDerWaalsContact O-N 3.08Å; L132-V136 HydrophobicContact CD1-CG2 4.45Å; L132-V136 HydrophobicContact CG-CG2 4.43Å; L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 3.41Å; L132-L185 HydrophobicContact CD2-CD2 3.34Å; L132-T188 HydrophobicContact CD2-CG2 4.24Å
133G96.9Very high95Very high4 Ų441 Ų414%0.04123%0.231CC..Hα-helixtrans-56-47.9176.300000111.9A129 R130 A135 V136 E137A129-G133 PolarHBondContact O-N 2.95Å; R130-G133 PolarHBondContact O-N 2.86Å; G133-A135 VanDerWaalsContact C-N 3.32Å; G133-A135 PolarHBondContact O-N 3.4Å; G133-V136 PolarHBondContact O-N 3.03Å; G133-E137 WeakPolarHBondContact O-CG 3.42Å; G133-E137 PolarHBondContact O-N 2.85Å
134A96Very high94Very high57 Ų5739.6 Ų39.647%0.47123%0.234SC..Hα-helixtrans-61.5-38.217500000112.7R130 A131 L132 E137 A138R130-A134 WeakPolarHBondContact O-CB 3.03Å; R130-A134 PolarHBondContact O-N 2.91Å; A131-A134 PolarHBondContact O-N 3.15Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-A134 PolarHBondContact O-N 3.47Å; A134-E137 PolarHBondContact O-N 3.08Å; A134-A138 WeakPolarHBondContact O-CB 3.2Å; A134-A138 PolarHBondContact O-N 2.94Å
135A96.6Very high92.1Very high23 Ų2340.4 Ų40.419%0.1925%0.249CC..Hα-helixtrans-64.7-41.7176.600000112.2K26 T30 A131 L132 G133 A138 L139K26-A135 PolarHBondContact NZ-O 2.8Å; T30-A135 HydrophobicContact CG2-CB 3.81Å; A131-A135 PolarHBondContact O-N 3.21Å; L132-A135 WeakPolarHBondContact O-CB 3.42Å; L132-A135 PolarHBondContact O-N 3.05Å; L132-A135 VanDerWaalsContact O-N 3.08Å; G133-A135 VanDerWaalsContact C-N 3.32Å; G133-A135 PolarHBondContact O-N 3.4Å; A135-A138 PolarHBondContact O-N 3.34Å; A135-L139 PolarHBondContact O-N 2.93Å
136V96Very high90.2Very high0 Ų044.1 Ų44.10%028%0.28CS..Hα-helixtrans-66.1-44.2175.3174.90000111.2T30 L87 A91 L94 L132 G133 A138 L139 L140 T188T30-V136 HydrophobicContact CG2-CG2 4.21Å; L87-V136 HydrophobicContact CB-CG1 4.13Å; L87-V136 HydrophobicContact CD2-CG1 4.17Å; L87-V136 WeakPolarHBondContact O-CG1 3.39Å; A91-V136 HydrophobicContact CB-CG1 4.1Å; L94-V136 HydrophobicContact CD1-CG2 4.4Å; L132-V136 HydrophobicContact CD1-CG2 4.45Å; L132-V136 HydrophobicContact CG-CG2 4.43Å; L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 3.41Å; G133-V136 PolarHBondContact O-N 3.03Å; V136-A138 VanDerWaalsContact C-N 3.29Å; V136-A138 PolarHBondContact O-N 2.88Å; V136-L139 WeakPolarHBondContact O-CB 3.49Å; V136-L139 PolarHBondContact O-N 2.84Å; V136-L140 HydrophobicContact CG1-CD1 4.37Å; V136-L140 PolarHBondContact O-N 3.49Å; V136-T188 HydrophobicContact CG2-CG2 3.82Å
137E94.1Very high88.1Confident83 Ų8350.9 Ų50.939%0.38832%0.315SS..Hα-helixtrans-60.2-40.6174.3-74.5-171.2-178.200112.3A91 G133 A134 L139 L140 A141A91-E137 HydrophobicContact CB-CG 3.79Å; G133-E137 WeakPolarHBondContact O-CG 3.42Å; G133-E137 PolarHBondContact O-N 2.85Å; A134-E137 PolarHBondContact O-N 3.08Å; E137-L139 VanDerWaalsContact C-N 3.29Å; E137-L139 PolarHBondContact O-N 3.14Å; E137-L140 WeakPolarHBondContact O-CB 3.21Å; E137-L140 PolarHBondContact O-N 3.45Å; E137-A141 WeakPolarHBondContact O-CB 3.3Å; E137-A141 PolarHBondContact O-N 3.07Å
138A92.2Very high85.6Confident42 Ų4256.3 Ų56.335%0.34734%0.336SS..Hα-helixtrans-67.5-30.7175.700000112K26 A134 A135 V136 A142K26-A138 VanDerWaalsContact NZ-C 3.29Å; A134-A138 WeakPolarHBondContact O-CB 3.2Å; A134-A138 PolarHBondContact O-N 2.94Å; A135-A138 PolarHBondContact O-N 3.34Å; V136-A138 VanDerWaalsContact C-N 3.29Å; V136-A138 PolarHBondContact O-N 2.88Å; A138-A142 WeakPolarHBondContact O-CB 3.44Å; A138-A142 PolarHBondContact O-N 3.25Å; A138-A142 VanDerWaalsContact O-N 3.08Å
139L92.3Very high83.2Confident0 Ų057.1 Ų57.10%036%0.358CS..Hα-helixtrans-68.5-46.5170.9-78.7176.3000111.4L23 K26 I27 T30 A135 V136 E137 A141 A142 L143 L192L23-L139 HydrophobicContact CD1-CD2 4.02Å; K26-L139 HydrophobicContact CB-CD2 3.97Å; K26-L139 HydrophobicContact CD-CD2 3.99Å; K26-L139 HydrophobicContact CG-CD2 3.69Å; K26-L139 HydrophobicContact CG-CG 4.42Å; I27-L139 HydrophobicContact CG1-CD1 4.41Å; I27-L139 HydrophobicContact CG1-CD2 3.7Å; T30-L139 HydrophobicContact CG2-CD1 3.83Å; A135-L139 PolarHBondContact O-N 2.93Å; V136-L139 WeakPolarHBondContact O-CB 3.49Å; V136-L139 PolarHBondContact O-N 2.84Å; E137-L139 VanDerWaalsContact C-N 3.29Å; E137-L139 PolarHBondContact O-N 3.14Å; L139-A141 VanDerWaalsContact C-N 3.27Å; L139-A141 PolarHBondContact O-N 3.36Å; L139-A142 PolarHBondContact O-N 2.98Å; L139-A142 VanDerWaalsContact O-N 3.14Å; L139-L143 WeakPolarHBondContact O-CB 3.47Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.48Å; L139-L143 PolarHBondContact O-N 3.37Å; L139-L192 HydrophobicContact CD1-CD2 3.61Å
140L90.1Very high80.6Confident34 Ų3464 Ų6418%0.17840%0.402CS..Hα-helixtrans-57.2-41.8174.5-78166.7000111.8L87 R88 A91 V136 E137 L143 G144L87-L140 HydrophobicContact CB-CD1 4.27Å; L87-L140 HydrophobicContact CB-CD2 3.84Å; L87-L140 HydrophobicContact CB-CG 4.1Å; R88-L140 HydrophobicContact CB-CD1 4.37Å; R88-L140 HydrophobicContact CG-CD1 3.69Å; R88-L140 HydrophobicContact CG-CD2 3.98Å; R88-L140 HydrophobicContact CG-CG 4.48Å; A91-L140 HydrophobicContact CB-CD1 4.45Å; V136-L140 HydrophobicContact CG1-CD1 4.37Å; V136-L140 PolarHBondContact O-N 3.49Å; E137-L140 WeakPolarHBondContact O-CB 3.21Å; E137-L140 PolarHBondContact O-N 3.45Å; L140-L143 PolarHBondContact O-N 2.88Å; L140-G144 PolarHBondContact O-N 2.71Å
141A88.4Confident78.2Confident38 Ų3865.6 Ų65.631%0.31441%0.408SS..Hα-helixtrans-63.9-42.8175.900000111.9E137 L139 G144 A145E137-A141 WeakPolarHBondContact O-CB 3.3Å; E137-A141 PolarHBondContact O-N 3.07Å; L139-A141 VanDerWaalsContact C-N 3.27Å; L139-A141 PolarHBondContact O-N 3.36Å; A141-G144 PolarHBondContact O-N 2.95Å; A141-A145 WeakPolarHBondContact O-CB 3.43Å; A141-A145 PolarHBondContact O-N 2.69Å
142A86.3Confident75.6Confident38 Ų3867.1 Ų67.131%0.31442%0.421SS..Hα-helixtrans-66.7-42177.300000112.2L23 A138 L139 A146L23-A142 HydrophobicContact CD1-CB 3.87Å; A138-A142 WeakPolarHBondContact O-CB 3.44Å; A138-A142 PolarHBondContact O-N 3.25Å; A138-A142 VanDerWaalsContact O-N 3.08Å; L139-A142 PolarHBondContact O-N 2.98Å; L139-A142 VanDerWaalsContact O-N 3.14Å; A142-A146 WeakPolarHBondContact O-CB 3.38Å; A142-A146 PolarHBondContact O-N 2.97Å
143L83.2Confident72.6Confident51 Ų5176.2 Ų76.227%0.26746%0.464SS..Hα-helixtrans-64.7-38.1174.5-69.9167.6000112L23 L139 L140 L195L23-L143 HydrophobicContact CD2-CD2 3.88Å; L139-L143 WeakPolarHBondContact O-CB 3.47Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.48Å; L139-L143 PolarHBondContact O-N 3.37Å; L140-L143 PolarHBondContact O-N 2.88Å; L143-L195 HydrophobicContact CD1-CD1 4.23Å
144G77.6Confident70.1Confident36 Ų3680.3 Ų80.337%0.37149%0.489SS..Hα-helixtrans-73.4-40.6176.600000113.3L140 A141 A146 N147 R148L140-G144 PolarHBondContact O-N 2.71Å; A141-G144 PolarHBondContact O-N 2.95Å; G144-A146 PolarHBondContact O-N 3.15Å; G144-N147 CarbonylContact O-C 3.24Å; G144-N147 WeakPolarHBondContact O-CA 3.46Å; G144-N147 PolarHBondContact O-N 3.16Å; G144-R148 PolarHBondContact O-N 2.86Å
145A59.2Low67.4Low80 Ų8083.5 Ų83.566%0.66151%0.506SS*.Hα-helixtrans-63.1-31.3174.100000112A141 N147A141-A145 WeakPolarHBondContact O-CB 3.43Å; A141-A145 PolarHBondContact O-N 2.69Å; A145-N147 PolarHBondContact O-N 3.35Å
146A57.2Low64.6Low79 Ų7989 Ų8965%0.65354%0.537SS*.THydrogen-bonded Turntrans-67.6-16169.300000113.5A142 G144A142-A146 WeakPolarHBondContact O-CB 3.38Å; A142-A146 PolarHBondContact O-N 2.97Å; G144-A146 PolarHBondContact O-N 3.15Å
147N55.6Low62.3Low145 Ų14593.7 Ų93.778%0.77558%0.576SS**THydrogen-bonded Turntrans-113-24.5-174-113.11.7000116.1G144 A145G144-N147 CarbonylContact O-C 3.24Å; G144-N147 WeakPolarHBondContact O-CA 3.46Å; G144-N147 PolarHBondContact O-N 3.16Å; A145-N147 PolarHBondContact O-N 3.35Å
148R46.3Very low60Low230 Ų23096.1 Ų96.187%0.86860%0.597SS**  trans164.5162.9158-102.2178.1-173.5148.12.9112.4G144G144-R148 PolarHBondContact O-N 2.86Å
149G46.2Very low57.8Low68 Ų6895.3 Ų95.370%0.70159%0.59SS**  trans-63.3-158.6-172.700000119.6
150P44.9Very low55.7Low143 Ų14399.7 Ų99.793%0.92962%0.62SS**PPolyproline II helix-74.4151.4-115.929.5-35.1000116.4
151R46.9Very low53.8Low169 Ų16999.3 Ų99.364%0.63862%0.622SS**PPolyproline II helixtrans-85.1139.1-157177.5173.5-179.7167.1-1.5113.9
152A42.5Very low51.9Low90 Ų90101 Ų10174%0.74464%0.636SS**PPolyproline II helixtrans-82.8141.2163.900000111.2
153E36Very low50.3Low191 Ų191104 Ų10489%0.89366%0.655SS**PPolyproline II helixtrans-69.9142.3178.5-75.1-144133.700112.9
154P44.3Very low49.3Very low89 Ų89102.6 Ų102.658%0.57865%0.651SS**PPolyproline II helixtrans-88.8152.6174.934.4-30.5000112.4
155P39.2Very low48.8Very low125 Ų125104.9 Ų104.981%0.81267%0.666SS**PPolyproline II helixtrans-79.8145.3178.832.4-32.8000112.1A157P155-A157 PolarHBondContact O-N 2.92Å
156T38.5Very low49.9Very low139 Ų139103.5 Ų103.585%0.85366%0.66SS**  trans-77.8106.8175.5-24.10000110.1
157A47.5Very low51.4Low98 Ų98103.8 Ų103.881%0.8165%0.653SS**  trans-92113.1169.900000110P155 A159P155-A157 PolarHBondContact O-N 2.92Å; A157-A159 PolarHBondContact O-N 3.46Å
158T44.5Very low53.1Low134 Ų134101.1 Ų101.182%0.82263%0.634SS**  trans-81.8108169.438.80000110S160T158-S160 PolarHBondContact O-N 3.38Å
159A47.4Very low55.2Low25 Ų2592.3 Ų92.321%0.20761%0.607CS.*  trans-73.7118.9167.300000109.5P99 A157P99-A159 HydrophobicContact CG-CB 4.28Å; A157-A159 PolarHBondContact O-N 3.46Å
160S47.9Very low57.3Low91 Ų9189.5 Ų89.564%0.63658%0.578SS**  trans-113.9113.9173.71730000109A69 T158 A162A69-S160 WeakPolarHBondContact CB-O 3.4Å; T158-S160 PolarHBondContact O-N 3.38Å; S160-A162 PolarHBondContact O-N 3.25Å
161A49.3Very low59.7Low26 Ų2684.8 Ų84.822%0.21554%0.542CS..  trans-67.3125.8172.500000109.8L100 V103 S163L100-A161 HydrophobicContact CD2-CB 4.08Å; V103-A161 HydrophobicContact CG1-CB 4.22Å; V103-A161 HydrophobicContact CG2-CB 4.24Å; A161-S163 PolarHBondContact O-N 2.99Å
162A49.8Very low61.9Low75 Ų7576.8 Ų76.862%0.6251%0.513SS*.  trans-58.7137168.200000109.5S160 A164S160-A162 PolarHBondContact O-N 3.25Å; A162-A164 PolarHBondContact O-N 3.35Å
163S52.8Low64.4Low100 Ų10073.3 Ų73.370%0.69948%0.481SS*.  trans-59.8107.8177.5172.20000110.2A161 A165A161-S163 PolarHBondContact O-N 2.99Å; S163-A165 PolarHBondContact O-N 3.37Å; S163-A165 VanDerWaalsContact O-N 3.15Å
164A60.8Low67.2Low22 Ų2264.2 Ų64.218%0.18244%0.439CS..  trans-70.2105.1166.100000108.2A162 G166 P169 A170 L173A162-A164 PolarHBondContact O-N 3.35Å; A164-G166 PolarHBondContact O-N 2.89Å; A164-P169 HydrophobicContact CB-CB 4.12Å; A164-A170 HydrophobicContact CB-CB 4.4Å; A164-L173 HydrophobicContact CB-CD2 4.16Å
165A67.9Low69.6Low84 Ų8461.2 Ų61.269%0.69442%0.418SS*.  trans-75.9121.3173.800000109.7S163 P169S163-A165 PolarHBondContact O-N 3.37Å; S163-A165 VanDerWaalsContact O-N 3.15Å; A165-P169 WeakPolarHBondContact O-CG 3.5Å
166G82.1Confident72.3Confident51 Ų5159 Ų5953%0.52639%0.393SS..SBendtrans96.9158.2176.700000115.1A164 A170A164-G166 PolarHBondContact O-N 2.89Å; G166-A170 WeakPolarHBondContact O-CB 3.39Å; G166-A170 PolarHBondContact O-N 3.38Å
167V89.9Confident75.1Confident84 Ų8452.5 Ų52.551%0.50935%0.353SS..Hα-helixtrans-64.4-49-172.7177.90000112L111 A170 K171L111-V167 HydrophobicContact CD1-CG1 4.38Å; L111-V167 HydrophobicContact CD2-CB 4.4Å; L111-V167 HydrophobicContact CD2-CG1 3.84Å; L111-V167 HydrophobicContact CD2-CG2 4Å; V167-A170 PolarHBondContact O-N 3.08Å; V167-K171 HydrophobicContact CG1-CD 4.43Å; V167-K171 HydrophobicContact CG1-CG 4.48Å; V167-K171 WeakPolarHBondContact O-CG 3.21Å; V167-K171 PolarHBondContact O-N 3.4Å
168F90.9Very high77.4Confident89 Ų8947.8 Ų47.839%0.3932%0.315SS..Hα-helixtrans-64.8-49.1-176.5177.1-95.7000112.8P55 F56 F61 P64 A170 K171 V172P55-F168 HydrophobicContact CG-CE2 4.31Å; F56-F168 HydrophobicContact CE2-CD2 4.1Å; F56-F168 HydrophobicContact CE2-CE2 4.03Å; F56-F168 AromaticContact CZ-CD2 3.92Å; F56-F168 HydrophobicContact CZ-CD2 3.92Å; F56-F168 AromaticContact CZ-CE2 3.77Å; F56-F168 HydrophobicContact CZ-CE2 3.77Å; F61-F168 HydrophobicContact CE2-CZ 4.34Å; F61-F168 HydrophobicContact CZ-CE2 4.07Å; F61-F168 AromaticContact CZ-CZ 3.93Å; F61-F168 HydrophobicContact CZ-CZ 3.93Å; P64-F168 HydrophobicContact CG-CE1 4.23Å; F168-A170 VanDerWaalsContact C-N 3.28Å; F168-A170 PolarHBondContact O-N 2.9Å; F168-K171 WeakPolarHBondContact O-CB 3.36Å; F168-K171 PolarHBondContact O-N 3.44Å; F168-K171 VanDerWaalsContact O-N 3.1Å; F168-V172 HydrophobicContact CD1-CG2 4.17Å; F168-V172 HydrophobicContact CE1-CG2 3.78Å; F168-V172 HydrophobicContact CE2-CG2 4.21Å; F168-V172 HydrophobicContact CZ-CG2 3.81Å; F168-V172 WeakPolarHBondContact O-CG2 3.49Å; F168-V172 PolarHBondContact O-N 3.23Å
169P90.1Very high79.9Confident45 Ų4541.8 Ų41.829%0.29228%0.279SS..Hα-helixtrans-58.1-36.3172.9-28.638.4000113.7A164 A165 V172 L173A164-P169 HydrophobicContact CB-CB 4.12Å; A165-P169 WeakPolarHBondContact O-CG 3.5Å; P169-V172 PolarHBondContact O-N 3.18Å; P169-L173 WeakPolarHBondContact O-CB 3.36Å; P169-L173 PolarHBondContact O-N 3.15Å
170A90.8Very high82.2Confident10 Ų1040.6 Ų40.68%0.08327%0.27CS..Hα-helixtrans-65-40.1174.800000112.2A164 G166 V167 F168 L173 G174A164-A170 HydrophobicContact CB-CB 4.4Å; G166-A170 WeakPolarHBondContact O-CB 3.39Å; G166-A170 PolarHBondContact O-N 3.38Å; V167-A170 PolarHBondContact O-N 3.08Å; F168-A170 VanDerWaalsContact C-N 3.28Å; F168-A170 PolarHBondContact O-N 2.9Å; A170-L173 PolarHBondContact O-N 3.48Å; A170-G174 PolarHBondContact O-N 2.87Å; A170-G174 VanDerWaalsContact O-N 3.07Å
171K94.4Very high84.6Confident43 Ų4336.3 Ų36.319%0.18724%0.239CC..Hα-helixtrans-64.2-43.8174-69.3-171.3170.6-170.90112Y48 Q52 F56 L111 V167 F168 G174 L175Y48-K171 WeakPolarHBondContact CE1-O 3.26Å; Y48-K171 WeakPolarHBondContact OH-CA 3.28Å; Y48-K171 PolarHBondContact OH-O 2.75Å; Q52-K171 HydrophobicContact CB-CD 4.34Å; Q52-K171 HydrophobicContact CG-CB 4.45Å; Q52-K171 HydrophobicContact CG-CD 4.34Å; Q52-K171 HydrophobicContact CG-CG 4.48Å; Q52-K171 PolarHBondContact O-NZ 3.14Å; Q52-K171 VanDerWaalsContact O-NZ 3.15Å; Q52-K171 VanDerWaalsContact OE1-CD 3.23Å; F56-K171 HydrophobicContact CE1-CB 4.06Å; F56-K171 HydrophobicContact CE2-CB 3.98Å; F56-K171 HydrophobicContact CE2-CD 3.87Å; F56-K171 HydrophobicContact CZ-CB 3.46Å; F56-K171 VanDerWaalsContact CZ-CB 3.46Å; F56-K171 HydrophobicContact CZ-CD 4.24Å; L111-K171 HydrophobicContact CD1-CG 4.29Å; V167-K171 HydrophobicContact CG1-CD 4.43Å; V167-K171 HydrophobicContact CG1-CG 4.48Å; V167-K171 WeakPolarHBondContact O-CG 3.21Å; V167-K171 PolarHBondContact O-N 3.4Å; F168-K171 WeakPolarHBondContact O-CB 3.36Å; F168-K171 PolarHBondContact O-N 3.44Å; F168-K171 VanDerWaalsContact O-N 3.1Å; K171-G174 PolarHBondContact O-N 3.36Å; K171-L175 PolarHBondContact O-N 2.73Å
172V94.4Very high87Confident2 Ų239.1 Ų39.11%0.01224%0.244CC..Hα-helixtrans-64-40.3176.4176.50000111.3F56 P63 P64 L66 F168 P169 G174 L175 R176F56-V172 HydrophobicContact CE1-CG2 3.87Å; F56-V172 HydrophobicContact CZ-CG2 3.94Å; P63-V172 HydrophobicContact CB-CG1 4.34Å; P64-V172 VanDerWaalsContact O-CG1 3.31Å; P64-V172 WeakPolarHBondContact O-CG1 3.49Å; L66-V172 HydrophobicContact CD1-CB 3.76Å; L66-V172 HydrophobicContact CD1-CG1 3.53Å; L66-V172 HydrophobicContact CG-CG1 3.78Å; F168-V172 HydrophobicContact CD1-CG2 4.17Å; F168-V172 HydrophobicContact CE1-CG2 3.78Å; F168-V172 HydrophobicContact CE2-CG2 4.21Å; F168-V172 HydrophobicContact CZ-CG2 3.81Å; F168-V172 WeakPolarHBondContact O-CG2 3.49Å; F168-V172 PolarHBondContact O-N 3.23Å; P169-V172 PolarHBondContact O-N 3.18Å; V172-G174 PolarHBondContact O-N 3.1Å; V172-L175 WeakPolarHBondContact O-CB 3.36Å; V172-L175 PolarHBondContact O-N 2.9Å; V172-R176 WeakPolarHBondContact O-CB 3.49Å; V172-R176 PolarHBondContact O-N 3.04Å
173L93.1Very high89.2Confident17 Ų1738.5 Ų38.59%0.08923%0.229CC..Hα-helixtrans-58.9-48.3174.6176.264.8000111.1V68 A164 P169 A170 L175 R176 V177V68-L173 HydrophobicContact CG2-CD1 4.04Å; A164-L173 HydrophobicContact CB-CD2 4.16Å; P169-L173 WeakPolarHBondContact O-CB 3.36Å; P169-L173 PolarHBondContact O-N 3.15Å; A170-L173 PolarHBondContact O-N 3.48Å; L173-L175 VanDerWaalsContact C-N 3.33Å; L173-L175 PolarHBondContact O-N 3.48Å; L173-R176 PolarHBondContact O-N 3.21Å; L173-R176 VanDerWaalsContact O-N 3.15Å; L173-V177 HydrophobicContact CD1-CG2 4.14Å; L173-V177 HydrophobicContact CG-CG2 4.46Å; L173-V177 WeakPolarHBondContact O-CG2 3.43Å; L173-V177 PolarHBondContact O-N 3.25Å
174G95.3Very high91.4Very high0 Ų034.7 Ų34.70%020%0.199CC..Hα-helixtrans-64.6-36.8178.900000113.2Y48 A170 K171 V172 R176 V177 C178Y48-G174 VanDerWaalsContact CZ-C 3.46Å; Y48-G174 WeakPolarHBondContact OH-CA 3.48Å; A170-G174 PolarHBondContact O-N 2.87Å; A170-G174 VanDerWaalsContact O-N 3.07Å; K171-G174 PolarHBondContact O-N 3.36Å; V172-G174 PolarHBondContact O-N 3.1Å; G174-R176 VanDerWaalsContact C-N 3.32Å; G174-R176 PolarHBondContact O-N 3.45Å; G174-V177 PolarHBondContact O-N 2.92Å; G174-C178 WeakPolarHBondContact O-CB 3.35Å; G174-C178 PolarHBondContact O-N 3.16Å; G174-C178 PolarHBondContact O-SG 3.49Å
175L95.6Very high93.1Very high26 Ų2633.6 Ų33.614%0.13619%0.19CC..Hα-helixtrans-59.3-46.6171.6-179.370.9000110.9L45 Y48 V49 F56 P63 K171 V172 L173 C178 G179L45-L175 HydrophobicContact CD1-CD1 3.72Å; Y48-L175 HydrophobicContact CD1-CB 4.34Å; Y48-L175 HydrophobicContact CD1-CD1 4.32Å; Y48-L175 HydrophobicContact CE1-CB 3.9Å; V49-L175 HydrophobicContact CG2-CD1 3.4Å; V49-L175 VanDerWaalsContact CG2-CD1 3.4Å; F56-L175 HydrophobicContact CD1-CD2 4.12Å; F56-L175 HydrophobicContact CE1-CD2 4.5Å; P63-L175 HydrophobicContact CB-CD2 3.82Å; P63-L175 HydrophobicContact CG-CD2 3.58Å; K171-L175 PolarHBondContact O-N 2.73Å; V172-L175 WeakPolarHBondContact O-CB 3.36Å; V172-L175 PolarHBondContact O-N 2.9Å; L173-L175 VanDerWaalsContact C-N 3.33Å; L173-L175 PolarHBondContact O-N 3.48Å; L175-C178 PolarHBondContact O-N 3.38Å; L175-G179 PolarHBondContact O-N 3.04Å
176R95.3Very high94.5Very high78 Ų7832.1 Ų32.129%0.29417%0.174SC..Hα-helixtrans-63.8-44-179.1-177.258.9175.9165.45.2111.9V68 V172 L173 G174 G179 L180V68-R176 HydrophobicContact CG2-CB 4.31Å; V68-R176 HydrophobicContact CG2-CG 3.55Å; V172-R176 WeakPolarHBondContact O-CB 3.49Å; V172-R176 PolarHBondContact O-N 3.04Å; L173-R176 PolarHBondContact O-N 3.21Å; L173-R176 VanDerWaalsContact O-N 3.15Å; G174-R176 VanDerWaalsContact C-N 3.32Å; G174-R176 PolarHBondContact O-N 3.45Å; R176-G179 PolarHBondContact O-N 3.43Å; R176-L180 HydrophobicContact CG-CD1 4.25Å; R176-L180 WeakPolarHBondContact O-CG 3.33Å; R176-L180 PolarHBondContact O-N 3.37Å
177V96.6Very high95.2Very high2 Ų233.7 Ų33.71%0.01217%0.165CC..Hα-helixtrans-65.6-44.5178.3171.10000111.3V68 L100 L101 V104 L173 G174 G179 L180 Y181V68-V177 HydrophobicContact CG1-CG2 4.28Å; V68-V177 HydrophobicContact CG2-CG2 4.29Å; L100-V177 HydrophobicContact CB-CG1 3.88Å; L100-V177 HydrophobicContact CB-CG2 4.22Å; L101-V177 HydrophobicContact CD2-CG1 3.94Å; L101-V177 HydrophobicContact CG-CG1 4.18Å; V104-V177 HydrophobicContact CG2-CB 3.83Å; V104-V177 HydrophobicContact CG2-CG1 3.96Å; V104-V177 HydrophobicContact CG2-CG2 4.02Å; L173-V177 HydrophobicContact CD1-CG2 4.14Å; L173-V177 HydrophobicContact CG-CG2 4.46Å; L173-V177 WeakPolarHBondContact O-CG2 3.43Å; L173-V177 PolarHBondContact O-N 3.25Å; G174-V177 PolarHBondContact O-N 2.92Å; V177-G179 VanDerWaalsContact C-N 3.28Å; V177-G179 PolarHBondContact O-N 3.42Å; V177-L180 PolarHBondContact O-N 3.34Å; V177-Y181 WeakPolarHBondContact O-CB 3.43Å; V177-Y181 PolarHBondContact O-N 3.2Å
178C97.3Very high95.6Very high0 Ų029.7 Ų29.70%014%0.14CC..Hα-helixtrans-61.3-37.9174.5-69.50000111.9L45 G174 L175 R182L45-C178 HydrophobicContact CB-CB 4.46Å; L45-C178 HydrophobicContact CD1-CB 3.68Å; G174-C178 WeakPolarHBondContact O-CB 3.35Å; G174-C178 PolarHBondContact O-N 3.16Å; G174-C178 PolarHBondContact O-SG 3.49Å; L175-C178 PolarHBondContact O-N 3.38Å; C178-R182 PolarHBondContact O-N 2.93Å
179G96.4Very high95.9Very high8 Ų827.2 Ų27.28%0.08213%0.13CC..Hα-helixtrans-63.6-48.5173.900000112.7L175 R176 V177 Y181 R182 E183L175-G179 PolarHBondContact O-N 3.04Å; R176-G179 PolarHBondContact O-N 3.43Å; V177-G179 VanDerWaalsContact C-N 3.28Å; V177-G179 PolarHBondContact O-N 3.42Å; G179-Y181 VanDerWaalsContact C-N 3.34Å; G179-Y181 PolarHBondContact O-N 3.46Å; G179-R182 PolarHBondContact O-N 3.42Å; G179-E183 WeakPolarHBondContact O-CG 2.98Å; G179-E183 PolarHBondContact O-N 3.42Å
180L96.8Very high96.1Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-61.4-40.9176.8-73.4171.6000112V68 L71 A73 R176 V177 R182 E183 W184V68-L180 HydrophobicContact CB-CD1 3.95Å; V68-L180 HydrophobicContact CG1-CD1 4.36Å; V68-L180 HydrophobicContact CG2-CD1 3.83Å; L71-L180 HydrophobicContact CD2-CB 4.16Å; L71-L180 HydrophobicContact CD2-CD1 4.18Å; L71-L180 HydrophobicContact CG-CD1 4.29Å; A73-L180 HydrophobicContact CB-CD2 3.88Å; R176-L180 HydrophobicContact CG-CD1 4.25Å; R176-L180 WeakPolarHBondContact O-CG 3.33Å; R176-L180 PolarHBondContact O-N 3.37Å; V177-L180 PolarHBondContact O-N 3.34Å; L180-R182 VanDerWaalsContact C-N 3.35Å; L180-R182 PolarHBondContact O-N 3.05Å; L180-E183 PolarHBondContact O-N 2.88Å; L180-W184 WeakPolarHBondContact O-CB 3.38Å; L180-W184 VanDerWaalsContact O-CD1 3.29Å; L180-W184 PolarHBondContact O-N 3.14Å
181Y98.1Very high96.3Very high1 Ų126.4 Ų26.40%0.00413%0.131CC..Hα-helixtrans-55.3-50.6174.3173.9-122.7000111.2A41 L44 L97 L101 A125 Q128 A129 V177 G179 L185A41-Y181 HydrophobicContact CB-CD1 3.56Å; A41-Y181 HydrophobicContact CB-CE1 3.43Å; A41-Y181 VanDerWaalsContact CB-CE1 3.43Å; L44-Y181 HydrophobicContact CD2-CD1 4.08Å; L44-Y181 HydrophobicContact CD2-CE1 4.18Å; L97-Y181 HydrophobicContact CD1-CD2 4.12Å; L97-Y181 HydrophobicContact CD2-CD2 4.48Å; L101-Y181 HydrophobicContact CD1-CD2 4.16Å; L101-Y181 HydrophobicContact CD1-CE2 4.49Å; L101-Y181 HydrophobicContact CD1-CG 4.42Å; A125-Y181 HydrophobicContact CB-CD1 4.27Å; A125-Y181 HydrophobicContact CB-CE1 3.63Å; A125-Y181 HydrophobicContact CB-CE2 4.41Å; Q128-Y181 PolarHBondContact OE1-OH 3.43Å; A129-Y181 HydrophobicContact CB-CD2 4.44Å; A129-Y181 HydrophobicContact CB-CE2 3.96Å; V177-Y181 WeakPolarHBondContact O-CB 3.43Å; V177-Y181 PolarHBondContact O-N 3.2Å; G179-Y181 VanDerWaalsContact C-N 3.34Å; G179-Y181 PolarHBondContact O-N 3.46Å; Y181-L185 HydrophobicContact CD1-CD1 4.2Å; Y181-L185 HydrophobicContact CD2-CD1 3.9Å; Y181-L185 HydrophobicContact CD2-CG 4.21Å; Y181-L185 HydrophobicContact CE1-CD1 3.71Å; Y181-L185 HydrophobicContact CE2-CD1 3.35Å; Y181-L185 HydrophobicContact CE2-CD2 4.3Å; Y181-L185 HydrophobicContact CE2-CG 3.9Å; Y181-L185 HydrophobicContact CG-CD1 4.3Å; Y181-L185 VanDerWaalsContact O-CG 3.31Å; Y181-L185 WeakPolarHBondContact O-CG 3.42Å; Y181-L185 PolarHBondContact O-N 3.42Å; Y181-L185 VanDerWaalsContact O-N 3.08Å
182R97.9Very high96.3Very high85 Ų8524.4 Ų24.432%0.32112%0.122SC..Hα-helixtrans-62.5-47.6177.2-175.2-167.765.8-174-3.6112.1A41 C178 G179 L180 W184 L185 S186A41-R182 HydrophobicContact CB-CB 3.91Å; A41-R182 HydrophobicContact CB-CG 4.16Å; C178-R182 PolarHBondContact O-N 2.93Å; G179-R182 PolarHBondContact O-N 3.42Å; L180-R182 VanDerWaalsContact C-N 3.35Å; L180-R182 PolarHBondContact O-N 3.05Å; R182-W184 PolarHBondContact O-N 3.45Å; R182-L185 PolarHBondContact O-N 2.87Å; R182-S186 PolarHBondContact O-N 3.42Å; R182-S186 PolarHBondContact O-OG 3.12Å
183E97.3Very high96.2Very high62 Ų6225.2 Ų25.229%0.2913%0.131SC..Hα-helixtrans-58.7-45-178.4-75.6170.4-158.800112.1A73 G179 L180 R187A73-E183 VanDerWaalsContact CB-OE2 3.25Å; A73-E183 WeakPolarHBondContact CB-OE2 3.32Å; G179-E183 WeakPolarHBondContact O-CG 2.98Å; G179-E183 PolarHBondContact O-N 3.42Å; L180-E183 PolarHBondContact O-N 2.88Å; E183-R187 WeakPolarHBondContact O-CB 3.5Å; E183-R187 PolarHBondContact O-N 3.34Å
184W97.8Very high96.1Very high19 Ų1929.1 Ų29.17%0.07215%0.149CC..Hα-helixtrans-69.2-38.8177.8-81107.8000112.5S72 P74 A93 L97 L180 R182 R187 T188S72-W184 PolarHBondContact O-NE1 3.32Å; P74-W184 HydrophobicContact CB-CH2 4.24Å; P74-W184 HydrophobicContact CB-CZ2 4.33Å; P74-W184 HydrophobicContact CB-CZ3 4.39Å; P74-W184 HydrophobicContact CG-CD2 3.73Å; P74-W184 HydrophobicContact CG-CE3 3.92Å; P74-W184 HydrophobicContact CG-CG 4.27Å; P74-W184 HydrophobicContact CG-CH2 4.16Å; P74-W184 HydrophobicContact CG-CZ2 3.97Å; P74-W184 HydrophobicContact CG-CZ3 4.13Å; A93-W184 HydrophobicContact CB-CD2 3.25Å; A93-W184 VanDerWaalsContact CB-CE2 3.4Å; A93-W184 HydrophobicContact CB-CE3 3.47Å; A93-W184 VanDerWaalsContact CB-CE3 3.47Å; A93-W184 HydrophobicContact CB-CG 3.75Å; A93-W184 HydrophobicContact CB-CH2 3.96Å; A93-W184 HydrophobicContact CB-CZ2 3.78Å; A93-W184 HydrophobicContact CB-CZ3 3.82Å; L97-W184 HydrophobicContact CD1-CB 4.16Å; L180-W184 WeakPolarHBondContact O-CB 3.38Å; L180-W184 VanDerWaalsContact O-CD1 3.29Å; L180-W184 PolarHBondContact O-N 3.14Å; R182-W184 PolarHBondContact O-N 3.45Å; W184-R187 PolarHBondContact O-N 3.38Å; W184-T188 WeakPolarHBondContact O-CB 3.19Å; W184-T188 PolarHBondContact O-N 3.37Å; W184-T188 PolarHBondContact O-OG1 2.9Å
185L98.1Very high95.7Very high0 Ų030.7 Ų30.70%016%0.157CC..Hα-helixtrans-61.8-47.1174.1-74175.9000112.7L37 A41 L94 L132 Y181 R182 R187 T188 E189L37-L185 HydrophobicContact CB-CD1 3.87Å; L37-L185 HydrophobicContact CB-CD2 4.01Å; L37-L185 HydrophobicContact CD1-CD2 4.3Å; A41-L185 HydrophobicContact CB-CD1 3.61Å; L94-L185 HydrophobicContact CD2-CD2 3.93Å; L132-L185 HydrophobicContact CD2-CD2 3.34Å; Y181-L185 HydrophobicContact CD1-CD1 4.2Å; Y181-L185 HydrophobicContact CD2-CD1 3.9Å; Y181-L185 HydrophobicContact CD2-CG 4.21Å; Y181-L185 HydrophobicContact CE1-CD1 3.71Å; Y181-L185 HydrophobicContact CE2-CD1 3.35Å; Y181-L185 HydrophobicContact CE2-CD2 4.3Å; Y181-L185 HydrophobicContact CE2-CG 3.9Å; Y181-L185 HydrophobicContact CG-CD1 4.3Å; Y181-L185 VanDerWaalsContact O-CG 3.31Å; Y181-L185 WeakPolarHBondContact O-CG 3.42Å; Y181-L185 PolarHBondContact O-N 3.42Å; Y181-L185 VanDerWaalsContact O-N 3.08Å; R182-L185 PolarHBondContact O-N 2.87Å; L185-R187 PolarHBondContact O-N 2.99Å; L185-T188 PolarHBondContact O-N 2.98Å; L185-E189 WeakPolarHBondContact O-CB 3.46Å; L185-E189 PolarHBondContact O-N 3.18Å
186S97.3Very high95.2Very high52 Ų5232.3 Ų32.336%0.36417%0.166SC..Hα-helixtrans-61.9-35.9176-60.70000112T38 R182 G190T38-S186 VanDerWaalsContact CG2-OG 3.26Å; T38-S186 WeakPolarHBondContact CG2-OG 3.31Å; R182-S186 PolarHBondContact O-N 3.42Å; R182-S186 PolarHBondContact O-OG 3.12Å; S186-G190 PolarHBondContact O-N 3.17Å; S186-G190 VanDerWaalsContact O-N 3.12Å
187R96.4Very high94.4Very high85 Ų8533 Ų3332%0.32119%0.188SC..Hα-helixtrans-65.7-52.4176.1-179.760.976.3-160.4-0.3111.3P74 H78 E183 W184 L185 E189 G190 D191P74-R187 HydrophobicContact CB-CG 4.35Å; P74-R187 HydrophobicContact CG-CB 4.17Å; P74-R187 HydrophobicContact CG-CG 4.41Å; H78-R187 VanDerWaalsContact CE1-CG 3.47Å; H78-R187 WeakPolarHBondContact CE1-CG 3.42Å; H78-R187 WeakPolarHBondContact ND1-CD 3.49Å; H78-R187 WeakPolarHBondContact ND1-CG 3.29Å; H78-R187 PolarHBondContact ND1-NE 3.15Å; E183-R187 WeakPolarHBondContact O-CB 3.5Å; E183-R187 PolarHBondContact O-N 3.34Å; W184-R187 PolarHBondContact O-N 3.38Å; L185-R187 PolarHBondContact O-N 2.99Å; R187-E189 VanDerWaalsContact C-N 3.29Å; R187-E189 PolarHBondContact O-N 3.32Å; R187-G190 PolarHBondContact O-N 3Å; R187-G190 VanDerWaalsContact O-N 3.07Å; R187-D191 VanDerWaalsContact CD-OD2 3.31Å; R187-D191 WeakPolarHBondContact CD-OD2 3.35Å; R187-D191 WeakPolarHBondContact CG-OD2 3.15Å; R187-D191 PolarHBondContact O-N 3.44Å
188T97.1Very high92.9Very high0 Ų035.8 Ų35.80%022%0.217CC..Hα-helixtrans-58.5-41.2178.5-560000111.8D90 L94 L132 V136 W184 L185 D191 L192D90-T188 HydrophobicContact CB-CG2 4.21Å; D90-T188 WeakPolarHBondContact CB-OG1 3.31Å; D90-T188 VanDerWaalsContact CG-OG1 3.31Å; D90-T188 PolarHBondContact OD1-OG1 3.39Å; D90-T188 WeakPolarHBondContact OD2-CA 3.27Å; L94-T188 HydrophobicContact CD1-CG2 4.14Å; L132-T188 HydrophobicContact CD2-CG2 4.24Å; V136-T188 HydrophobicContact CG2-CG2 3.82Å; W184-T188 WeakPolarHBondContact O-CB 3.19Å; W184-T188 PolarHBondContact O-N 3.37Å; W184-T188 PolarHBondContact O-OG1 2.9Å; L185-T188 PolarHBondContact O-N 2.98Å; T188-D191 PolarHBondContact O-N 3.33Å; T188-L192 HydrophobicContact CG2-CD1 3.85Å; T188-L192 HydrophobicContact CG2-CG 4.32Å; T188-L192 WeakPolarHBondContact O-CB 3.37Å; T188-L192 WeakPolarHBondContact O-CD1 3.45Å; T188-L192 WeakPolarHBondContact O-CG 3.1Å; T188-L192 PolarHBondContact O-N 3.35Å
189E97.3Very high90.5Very high36 Ų3638.1 Ų38.117%0.16824%0.241CC..Hα-helixtrans-56-50.8172.9-180-170167.500111.4H31 A34 H35 T38 L185 R187 D191 L192 G193H31-E189 PolarHBondContact CD2-O 3.36Å; A34-E189 HydrophobicContact CB-CB 3.99Å; H35-E189 HydrophobicContact CB-CG 4.26Å; H35-E189 IonicContact CE1-OE1 3.26Å; H35-E189 IonicContact CG-OE1 2.99Å; H35-E189 IonicContact ND1-OE1 2.69Å; H35-E189 PolarHBondContact ND1-OE1 2.88Å; T38-E189 VanDerWaalsContact CB-OE2 3.28Å; T38-E189 WeakPolarHBondContact CB-OE2 3.39Å; T38-E189 PolarHBondContact OG1-OE2 3.43Å; L185-E189 WeakPolarHBondContact O-CB 3.46Å; L185-E189 PolarHBondContact O-N 3.18Å; R187-E189 VanDerWaalsContact C-N 3.29Å; R187-E189 PolarHBondContact O-N 3.32Å; E189-D191 VanDerWaalsContact C-N 3.33Å; E189-D191 PolarHBondContact O-N 3.5Å; E189-L192 PolarHBondContact O-N 3.45Å; E189-G193 PolarHBondContact O-N 3.42Å
190G95.2Very high87.6Confident38 Ų3844 Ų4439%0.39228%0.278SS..Hα-helixtrans-63.2-37.217900000113.5S186 R187 G193 Q194S186-G190 PolarHBondContact O-N 3.17Å; S186-G190 VanDerWaalsContact O-N 3.12Å; R187-G190 PolarHBondContact O-N 3Å; R187-G190 VanDerWaalsContact O-N 3.07Å; G190-G193 PolarHBondContact O-N 2.71Å; G190-Q194 WeakPolarHBondContact O-CG 3.43Å; G190-Q194 PolarHBondContact O-N 2.9Å; G190-Q194 VanDerWaalsContact O-N 3.16Å
191D94.5Very high84.5Confident1 Ų152.2 Ų52.21%0.00535%0.346CS..Hα-helixtrans-71.5-37.7178.4-74.7-42.3000112.4H78 R86 L87 R187 T188 E189 Q194 L195H78-D191 IonicContact CE1-OD2 2.65Å; H78-D191 PolarHBondContact CE1-OD2 2.89Å; H78-D191 IonicContact ND1-OD2 3.92Å; R86-D191 WeakPolarHBondContact CD-OD1 3.48Å; R86-D191 IonicContact CZ-OD1 3.5Å; R86-D191 IonicContact NE-OD1 2.81Å; R86-D191 PolarHBondContact NE-OD1 2.9Å; R86-D191 IonicContact NH2-OD1 2.99Å; R86-D191 PolarHBondContact NH2-OD1 3.28Å; L87-D191 HydrophobicContact CD2-CB 4.1Å; R187-D191 VanDerWaalsContact CD-OD2 3.31Å; R187-D191 WeakPolarHBondContact CD-OD2 3.35Å; R187-D191 WeakPolarHBondContact CG-OD2 3.15Å; R187-D191 PolarHBondContact O-N 3.44Å; T188-D191 PolarHBondContact O-N 3.33Å; E189-D191 VanDerWaalsContact C-N 3.33Å; E189-D191 PolarHBondContact O-N 3.5Å; D191-Q194 PolarHBondContact O-N 3.17Å; D191-L195 PolarHBondContact O-N 3.07Å
192L94.4Very high83.9Confident0 Ų054.8 Ų54.80%036%0.363CS..Hα-helixtrans-67.1-36.2170.3-69.1167.6000112.1T30 H31 A34 L87 L139 T188 E189 Q194 L195 L196T30-L192 HydrophobicContact CG2-CD1 3.82Å; T30-L192 HydrophobicContact CG2-CD2 4.28Å; H31-L192 HydrophobicContact CB-CB 4.07Å; A34-L192 HydrophobicContact CB-CD1 3.96Å; L87-L192 HydrophobicContact CD2-CD2 3.96Å; L87-L192 HydrophobicContact CD2-CG 4.18Å; L139-L192 HydrophobicContact CD1-CD2 3.61Å; T188-L192 HydrophobicContact CG2-CD1 3.85Å; T188-L192 HydrophobicContact CG2-CG 4.32Å; T188-L192 WeakPolarHBondContact O-CB 3.37Å; T188-L192 WeakPolarHBondContact O-CD1 3.45Å; T188-L192 WeakPolarHBondContact O-CG 3.1Å; T188-L192 PolarHBondContact O-N 3.35Å; E189-L192 PolarHBondContact O-N 3.45Å; L192-Q194 VanDerWaalsContact C-N 3.29Å; L192-Q194 PolarHBondContact O-N 3.47Å; L192-L195 WeakPolarHBondContact O-CB 3.48Å; L192-L195 PolarHBondContact O-N 3.19Å; L192-L196 PolarHBondContact O-N 3.13Å
193G93.3Very high83.1Confident20 Ų2053.2 Ų53.221%0.20637%0.365CS..Hα-helixtrans-63.3-35.217700000112.5H31 E189 G190 L195 L196 A197H31-G193 PolarHBondContact CD2-N 3.13Å; E189-G193 PolarHBondContact O-N 3.42Å; G190-G193 PolarHBondContact O-N 2.71Å; G193-L195 VanDerWaalsContact C-N 3.34Å; G193-L195 PolarHBondContact O-N 2.69Å; G193-L196 WeakPolarHBondContact O-CB 3.25Å; G193-L196 PolarHBondContact O-N 2.99Å; G193-A197 PolarHBondContact O-N 2.82Å; G193-A197 VanDerWaalsContact O-N 3.07Å
194Q90Very high82.3Confident99 Ų9952.7 Ų52.746%0.46337%0.369SS..Hα-helixtrans-66.7-33.6174.2-73176.654.900112.8R86 G190 D191 L192 L196 A197 G198R86-Q194 VanDerWaalsContact NH2-CD 3.28Å; G190-Q194 WeakPolarHBondContact O-CG 3.43Å; G190-Q194 PolarHBondContact O-N 2.9Å; G190-Q194 VanDerWaalsContact O-N 3.16Å; D191-Q194 PolarHBondContact O-N 3.17Å; L192-Q194 VanDerWaalsContact C-N 3.29Å; L192-Q194 PolarHBondContact O-N 3.47Å; Q194-L196 VanDerWaalsContact C-N 3.27Å; Q194-L196 PolarHBondContact O-N 3.3Å; Q194-A197 PolarHBondContact O-N 3.46Å; Q194-G198 PolarHBondContact O-N 3.07Å
195L87.5Confident81.4Confident33 Ų3354.6 Ų54.617%0.17339%0.387CS..Hα-helixtrans-64.1-33.7172.4-73-178.1000112.3I27 V83 L87 L143 D191 L192 G193I27-L195 HydrophobicContact CD1-CB 4.46Å; I27-L195 HydrophobicContact CD1-CD1 4.44Å; I27-L195 HydrophobicContact CG1-CD1 4.5Å; I27-L195 HydrophobicContact CG2-CB 3.88Å; I27-L195 HydrophobicContact CG2-CD1 4.38Å; V83-L195 HydrophobicContact CB-CD2 4.37Å; V83-L195 HydrophobicContact CG1-CD2 3.88Å; V83-L195 HydrophobicContact CG2-CD2 3.58Å; V83-L195 HydrophobicContact CG2-CG 3.81Å; L87-L195 HydrophobicContact CD1-CD1 3.53Å; L87-L195 HydrophobicContact CD1-CG 4.3Å; L143-L195 HydrophobicContact CD1-CD1 4.23Å; D191-L195 PolarHBondContact O-N 3.07Å; L192-L195 WeakPolarHBondContact O-CB 3.48Å; L192-L195 PolarHBondContact O-N 3.19Å; G193-L195 VanDerWaalsContact C-N 3.34Å; G193-L195 PolarHBondContact O-N 2.69Å
196L85.4Confident80.4Confident59 Ų5958.1 Ų58.131%0.30941%0.411SS..Hα-helixtrans-72.9-36.5176.1-66.1175000112.4I27 R28 H31 L192 G193 Q194 G198I27-L196 HydrophobicContact CB-CD2 4.1Å; I27-L196 HydrophobicContact CG2-CD2 3.5Å; I27-L196 HydrophobicContact CG2-CG 3.78Å; R28-L196 HydrophobicContact CB-CD2 4.33Å; R28-L196 HydrophobicContact CG-CD1 4.42Å; R28-L196 HydrophobicContact CG-CD2 3.41Å; R28-L196 VanDerWaalsContact CG-CD2 3.41Å; H31-L196 HydrophobicContact CB-CD1 3.85Å; L192-L196 PolarHBondContact O-N 3.13Å; G193-L196 WeakPolarHBondContact O-CB 3.25Å; G193-L196 PolarHBondContact O-N 2.99Å; Q194-L196 VanDerWaalsContact C-N 3.27Å; Q194-L196 PolarHBondContact O-N 3.3Å; L196-G198 VanDerWaalsContact C-N 3.34Å
197A78.6Confident79.3Confident92 Ų9258.5 Ų58.576%0.7641%0.414SS*.Hα-helixtrans-75.7-21.5179.300000113.4G193 Q194G193-A197 PolarHBondContact O-N 2.82Å; G193-A197 VanDerWaalsContact O-N 3.07Å; Q194-A197 PolarHBondContact O-N 3.46Å
198G63.4Low78Confident61 Ų6156.6 Ų56.663%0.62942%0.421SS*.THydrogen-bonded Turntrans-96.821.7179.800000115.5Q194 L196Q194-G198 PolarHBondContact O-N 3.07Å; L196-G198 VanDerWaalsContact C-N 3.34Å
199G46.8Very low76.6Confident49 Ų4960.9 Ų60.951%0.50545%0.453SS..  trans-54.3150.1171.800000111.8A201G199-A201 PolarHBondContact O-N 3.33Å
200P36.3Very low74.8Confident131 Ų13163 Ų6385%0.85148%0.477SS*.  trans-57.9130-161.425.2-33.6000111.8
201A32.7Very low73Confident173 Ų17365.3 Ų65.3100%1.4349%0.485SS*.  trans-74.90162.100000110.4G199G199-A201 PolarHBondContact O-N 3.33Å

Retrieved 201 of 201 residues in 121.3 ms (Link to these results)