Z4YN62_MOUSE Loading...

Ataxin 7-like 3

AlphaFold DB , UniProt , Accession Z4YN62, Species MOUSE (Mus musculus, Mouse), Gene Atxn7l3, Length 350 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
1E40.6Very low66.4Low239 Ų239119.5 Ų119.5100%1.11768%0.68SS**  0111.70-80-174120.200109.1
2M47.9Very low68.5Low188 Ų188115.6 Ų115.693%0.92666%0.655SS**  trans-87.7106.5165.3-96.5145.8146.400106.8L4M2-L4 PolarHBondContact O-N 3.47Å
3S53.6Low70.3Confident97 Ų97116.8 Ų116.868%0.67865%0.652SS**  trans-61.9107.4178.7-59.80000110.1S5S3-S5 PolarHBondContact O-N 3Å; S3-S5 VanDerWaalsContact O-N 3.07Å
4L59.1Low72Confident132 Ų132112 Ų11269%0.69164%0.635SS**  trans-67.22.9176.7-80.8158.5000113.9M2 G6 L7 L12M2-L4 PolarHBondContact O-N 3.47Å; L4-G6 PolarHBondContact O-N 3.5Å; L4-L7 HydrophobicContact CD2-CD1 4.26Å; L4-L12 HydrophobicContact CD2-CD2 4.48Å
5S58.1Low73.5Confident119 Ų119109.5 Ų109.583%0.83262%0.618SS**THydrogen-bonded Turntrans-77.118.2-170.462.40000115.1S3S3-S5 PolarHBondContact O-N 3Å; S3-S5 VanDerWaalsContact O-N 3.07Å
6G61.5Low74.9Confident66 Ų66106.3 Ų106.368%0.6861%0.609SS**THydrogen-bonded Turntrans-147.16-175.500000116.3L4L4-G6 PolarHBondContact O-N 3.5Å
7L62.9Low76.2Confident67 Ų67107.1 Ų107.135%0.35161%0.606SS.*  trans-85.3120.3174.3-80.9106.9000110.5L4 K11 L12 I15L4-L7 HydrophobicContact CD2-CD1 4.26Å; L7-K11 HydrophobicContact CD2-CB 3.9Å; L7-K11 HydrophobicContact CD2-CD 4.44Å; L7-L12 HydrophobicContact CB-CD2 4.2Å; L7-L12 HydrophobicContact CB-CG 4.1Å; L7-I15 HydrophobicContact CD2-CD1 3.92Å
8D82.7Confident77.3Confident77 Ų77108.2 Ų108.241%0.41261%0.605SS.*  trans-54.2135.2165.539.6-33.4000110.6S10 K11 L12D8-S10 PolarHBondContact O-N 3.48Å; D8-K11 WeakPolarHBondContact O-CB 3.5Å; D8-K11 PolarHBondContact O-N 2.96Å; D8-K11 WeakPolarHBondContact OD1-CD 3.43Å; D8-K11 WeakPolarHBondContact OD1-CE 3.33Å; D8-K11 VanDerWaalsContact OD1-CG 3.3Å; D8-K11 WeakPolarHBondContact OD1-CG 3.43Å; D8-K11 IonicContact OD1-NZ 3.35Å; D8-K11 PolarHBondContact OD1-NZ 2.92Å; D8-K11 WeakPolarHBondContact OD2-CE 3.33Å; D8-K11 IonicContact OD2-NZ 3.62Å; D8-K11 PolarHBondContact OD2-NZ 3.44Å; D8-L12 PolarHBondContact O-N 3.44Å
9N85Confident78.4Confident132 Ų132107.5 Ų107.571%0.70660%0.599SS**Hα-helixtrans-50.4-32.4-176.3-78.1-32.9000113.4K11 L12 E13N9-K11 PolarHBondContact O-N 3.31Å; N9-L12 PolarHBondContact O-N 2.81Å; N9-E13 WeakPolarHBondContact O-CB 3.46Å; N9-E13 PolarHBondContact O-N 2.92Å
10S88.8Confident79.3Confident87 Ų87109.7 Ų109.761%0.60860%0.599SS**Hα-helixtrans-61.5-39.4174.8-179.80000113D8 E13 A14D8-S10 PolarHBondContact O-N 3.48Å; S10-E13 PolarHBondContact O-N 2.98Å; S10-A14 WeakPolarHBondContact O-CB 3.38Å; S10-A14 PolarHBondContact O-N 3.39Å
11K90.4Very high80.2Confident110 Ų110106.3 Ų106.348%0.47859%0.586SS.*Hα-helixtrans-72.6-35.6176.1-67.2-172-165.2131.70112.1L7 D8 N9 E13 A14 I15L7-K11 HydrophobicContact CD2-CB 3.9Å; L7-K11 HydrophobicContact CD2-CD 4.44Å; D8-K11 WeakPolarHBondContact O-CB 3.5Å; D8-K11 PolarHBondContact O-N 2.96Å; D8-K11 WeakPolarHBondContact OD1-CD 3.43Å; D8-K11 WeakPolarHBondContact OD1-CE 3.33Å; D8-K11 VanDerWaalsContact OD1-CG 3.3Å; D8-K11 WeakPolarHBondContact OD1-CG 3.43Å; D8-K11 IonicContact OD1-NZ 3.35Å; D8-K11 PolarHBondContact OD1-NZ 2.92Å; D8-K11 WeakPolarHBondContact OD2-CE 3.33Å; D8-K11 IonicContact OD2-NZ 3.62Å; D8-K11 PolarHBondContact OD2-NZ 3.44Å; N9-K11 PolarHBondContact O-N 3.31Å; K11-E13 VanDerWaalsContact C-N 3.31Å; K11-A14 PolarHBondContact O-N 3.42Å; K11-I15 WeakPolarHBondContact O-CD1 3.24Å; K11-I15 VanDerWaalsContact O-CG1 3.24Å; K11-I15 WeakPolarHBondContact O-CG1 3.28Å; K11-I15 PolarHBondContact O-N 2.91Å
12L91.3Very high82.9Confident73 Ų7399.5 Ų99.538%0.38256%0.557SS.*Hα-helixtrans-63.7-41.2173.1-71.7174.9000111.2L4 L7 D8 N9 I15 A16L4-L12 HydrophobicContact CD2-CD2 4.48Å; L7-L12 HydrophobicContact CB-CD2 4.2Å; L7-L12 HydrophobicContact CB-CG 4.1Å; D8-L12 PolarHBondContact O-N 3.44Å; N9-L12 PolarHBondContact O-N 2.81Å; L12-I15 PolarHBondContact O-N 3.4Å; L12-A16 WeakPolarHBondContact O-CB 3.01Å; L12-A16 PolarHBondContact O-N 2.96Å
13E92.4Very high85.3Confident131 Ų13195.6 Ų95.661%0.61254%0.539SS*.Hα-helixtrans-67.2-39176.3-168.8163.3-165.900111.9N9 S10 K11 A16 Q17N9-E13 WeakPolarHBondContact O-CB 3.46Å; N9-E13 PolarHBondContact O-N 2.92Å; S10-E13 PolarHBondContact O-N 2.98Å; K11-E13 VanDerWaalsContact C-N 3.31Å; E13-A16 PolarHBondContact O-N 3.3Å; E13-Q17 WeakPolarHBondContact O-CB 3.49Å; E13-Q17 VanDerWaalsContact O-CG 3.28Å; E13-Q17 WeakPolarHBondContact O-CG 3.06Å; E13-Q17 PolarHBondContact O-N 2.92Å
14A93.8Very high87.4Confident50 Ų5093.7 Ų93.741%0.41352%0.524SS..Hα-helixtrans-61.2-46.517300000112.1S10 K11 A16 Q17 E18S10-A14 WeakPolarHBondContact O-CB 3.38Å; S10-A14 PolarHBondContact O-N 3.39Å; K11-A14 PolarHBondContact O-N 3.42Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 3.3Å; A14-Q17 PolarHBondContact O-N 3.18Å; A14-E18 PolarHBondContact O-N 2.96Å
15I95Very high89.2Confident75 Ų7593.2 Ų93.239%0.38552%0.518SS..Hα-helixtrans-63.4-39.7176.6-67.1163.7000110.8L7 K11 L12 Q17 E18 I19L7-I15 HydrophobicContact CD2-CD1 3.92Å; K11-I15 WeakPolarHBondContact O-CD1 3.24Å; K11-I15 VanDerWaalsContact O-CG1 3.24Å; K11-I15 WeakPolarHBondContact O-CG1 3.28Å; K11-I15 PolarHBondContact O-N 2.91Å; L12-I15 PolarHBondContact O-N 3.4Å; I15-Q17 VanDerWaalsContact C-N 3.34Å; I15-Q17 PolarHBondContact O-N 2.88Å; I15-E18 PolarHBondContact O-N 3.36Å; I15-I19 HydrophobicContact CG2-CD1 3.89Å; I15-I19 HydrophobicContact CG2-CG1 4.5Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 2.83Å; I15-I19 PolarHBondContact O-N 3.24Å
16A95.7Very high91.1Very high57 Ų5792.8 Ų92.847%0.47151%0.506SS..Hα-helixtrans-64.5-38.5176.700000112.3L12 E13 A14 Y20L12-A16 WeakPolarHBondContact O-CB 3.01Å; L12-A16 PolarHBondContact O-N 2.96Å; E13-A16 PolarHBondContact O-N 3.3Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 3.3Å; A16-Y20 WeakPolarHBondContact O-CB 3.3Å; A16-Y20 PolarHBondContact O-N 2.69Å
17Q95.8Very high92.8Very high120 Ų12093.7 Ų93.756%0.56150%0.502SS*.Hα-helixtrans-66.6-40.5174.6-73.2-75.1-19.700112E13 A14 I15 Y20 A21E13-Q17 WeakPolarHBondContact O-CB 3.49Å; E13-Q17 VanDerWaalsContact O-CG 3.28Å; E13-Q17 WeakPolarHBondContact O-CG 3.06Å; E13-Q17 PolarHBondContact O-N 2.92Å; A14-Q17 PolarHBondContact O-N 3.18Å; I15-Q17 VanDerWaalsContact C-N 3.34Å; I15-Q17 PolarHBondContact O-N 2.88Å; Q17-Y20 PolarHBondContact O-N 3.35Å; Q17-A21 WeakPolarHBondContact O-CB 3.35Å; Q17-A21 PolarHBondContact O-N 3.07Å
18E96.9Very high94.5Very high127 Ų12793.9 Ų93.959%0.59351%0.508SS*.Hα-helixtrans-61.1-49.5174.5-74.8-179.117200111.2A14 I15 Y20 A21 D22A14-E18 PolarHBondContact O-N 2.96Å; I15-E18 PolarHBondContact O-N 3.36Å; E18-Y20 VanDerWaalsContact C-N 3.29Å; E18-Y20 PolarHBondContact O-N 2.98Å; E18-A21 PolarHBondContact O-N 3.43Å; E18-D22 PolarHBondContact O-N 3.49Å
19I97.3Very high95.1Very high96 Ų9694.4 Ų94.449%0.49251%0.51SS..Hα-helixtrans-60.4-41.3177.2-65.8166.4000111.1I15 L23I15-I19 HydrophobicContact CG2-CD1 3.89Å; I15-I19 HydrophobicContact CG2-CG1 4.5Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 2.83Å; I15-I19 PolarHBondContact O-N 3.24Å; I19-L23 HydrophobicContact CG2-CD1 4.18Å; I19-L23 VanDerWaalsContact O-CG 3.29Å; I19-L23 WeakPolarHBondContact O-CG 3.39Å; I19-L23 PolarHBondContact O-N 3.39Å; I19-L23 VanDerWaalsContact O-N 3.12Å
20Y97.7Very high95.7Very high151 Ų15189.8 Ų89.859%0.59249%0.494SS*.Hα-helixtrans-63.5-44177.2175.6-100.6000111.9A16 Q17 E18 L23 V24A16-Y20 WeakPolarHBondContact O-CB 3.3Å; A16-Y20 PolarHBondContact O-N 2.69Å; Q17-Y20 PolarHBondContact O-N 3.35Å; E18-Y20 VanDerWaalsContact C-N 3.29Å; E18-Y20 PolarHBondContact O-N 2.98Å; Y20-L23 PolarHBondContact O-N 2.99Å; Y20-V24 HydrophobicContact CD1-CG2 4.31Å; Y20-V24 HydrophobicContact CD2-CG2 4.44Å; Y20-V24 HydrophobicContact CE1-CG2 3.83Å; Y20-V24 HydrophobicContact CE2-CG2 3.97Å; Y20-V24 WeakPolarHBondContact O-CG2 3.29Å; Y20-V24 PolarHBondContact O-N 3.14Å
21A97.7Very high96Very high38 Ų3892 Ų9231%0.31449%0.492SS..Hα-helixtrans-60.7-46.9177.500000111.3Q17 E18 L23 V24 E25Q17-A21 WeakPolarHBondContact O-CB 3.35Å; Q17-A21 PolarHBondContact O-N 3.07Å; E18-A21 PolarHBondContact O-N 3.43Å; A21-L23 VanDerWaalsContact C-N 3.33Å; A21-L23 PolarHBondContact O-N 2.73Å; A21-V24 PolarHBondContact O-N 3.04Å; A21-V24 VanDerWaalsContact O-N 3.14Å; A21-E25 WeakPolarHBondContact O-CG 3.32Å; A21-E25 PolarHBondContact O-N 3.36Å
22D97.8Very high96.3Very high96 Ų9690.1 Ų90.151%0.51349%0.493SS..Hα-helixtrans-57.4-45.1177.6-71.6-10.8000111.5E18 V24 E25 D26E18-D22 PolarHBondContact O-N 3.49Å; D22-V24 VanDerWaalsContact C-N 3.34Å; D22-V24 PolarHBondContact O-N 2.73Å; D22-E25 PolarHBondContact O-N 3.12Å; D22-D26 WeakPolarHBondContact O-CB 3.35Å; D22-D26 PolarHBondContact O-N 3.34Å
23L97.9Very high96.6Very high107 Ų10793.3 Ų93.356%0.5650%0.504SS*.Hα-helixtrans-64.5-37.9178.3-70.5173.5000112.8I19 Y20 A21 S27I19-L23 HydrophobicContact CG2-CD1 4.18Å; I19-L23 VanDerWaalsContact O-CG 3.29Å; I19-L23 WeakPolarHBondContact O-CG 3.39Å; I19-L23 PolarHBondContact O-N 3.39Å; I19-L23 VanDerWaalsContact O-N 3.12Å; Y20-L23 PolarHBondContact O-N 2.99Å; A21-L23 VanDerWaalsContact C-N 3.33Å; A21-L23 PolarHBondContact O-N 2.73Å; L23-S27 WeakPolarHBondContact O-CB 3.39Å; L23-S27 PolarHBondContact O-N 3Å; L23-S27 VanDerWaalsContact O-N 3.08Å; L23-S27 PolarHBondContact O-OG 3.43Å
24V98Very high96.7Very high57 Ų5792.7 Ų92.735%0.34550%0.501SS..Hα-helixtrans-68-45.3176.1170.80000110.2Y20 A21 D22 S27 C28Y20-V24 HydrophobicContact CD1-CG2 4.31Å; Y20-V24 HydrophobicContact CD2-CG2 4.44Å; Y20-V24 HydrophobicContact CE1-CG2 3.83Å; Y20-V24 HydrophobicContact CE2-CG2 3.97Å; Y20-V24 WeakPolarHBondContact O-CG2 3.29Å; Y20-V24 PolarHBondContact O-N 3.14Å; A21-V24 PolarHBondContact O-N 3.04Å; A21-V24 VanDerWaalsContact O-N 3.14Å; D22-V24 VanDerWaalsContact C-N 3.34Å; D22-V24 PolarHBondContact O-N 2.73Å; V24-S27 PolarHBondContact O-N 3.08Å; V24-C28 WeakPolarHBondContact O-CB 3.4Å; V24-C28 PolarHBondContact O-N 3.04Å; V24-C28 PolarHBondContact O-SG 3.36Å
25E97.5Very high96.7Very high121 Ų12192.3 Ų92.357%0.56549%0.493SS*.Hα-helixtrans-61-45.8178.5-73.6-176.8-168.100111.7A21 D22 S27 C28 L29A21-E25 WeakPolarHBondContact O-CG 3.32Å; A21-E25 PolarHBondContact O-N 3.36Å; D22-E25 PolarHBondContact O-N 3.12Å; E25-S27 VanDerWaalsContact C-N 3.34Å; E25-S27 PolarHBondContact O-N 3.36Å; E25-C28 PolarHBondContact O-N 3.29Å; E25-L29 WeakPolarHBondContact O-CB 3.31Å; E25-L29 WeakPolarHBondContact O-CG 3.29Å; E25-L29 PolarHBondContact O-N 3.14Å
26D97.5Very high96.7Very high111 Ų11193.6 Ų93.659%0.59450%0.497SS*.Hα-helixtrans-61.2-42.2175.9-83.7-10.2000111.9D22 L29 G30D22-D26 WeakPolarHBondContact O-CB 3.35Å; D22-D26 PolarHBondContact O-N 3.34Å; D26-L29 PolarHBondContact O-N 2.92Å; D26-G30 PolarHBondContact O-N 3.26Å
27S97.1Very high96.7Very high85 Ų8597.9 Ų97.959%0.59450%0.501SS*.Hα-helixtrans-64.3-43.6176.4-59.60000111.6L23 V24 E25 G30 F31L23-S27 WeakPolarHBondContact O-CB 3.39Å; L23-S27 PolarHBondContact O-N 3Å; L23-S27 VanDerWaalsContact O-N 3.08Å; L23-S27 PolarHBondContact O-OG 3.43Å; V24-S27 PolarHBondContact O-N 3.08Å; E25-S27 VanDerWaalsContact C-N 3.34Å; E25-S27 PolarHBondContact O-N 3.36Å; S27-G30 PolarHBondContact O-N 3Å; S27-F31 PolarHBondContact O-N 2.96Å; S27-F31 VanDerWaalsContact O-N 3.08Å
28C97.6Very high96.6Very high70 Ų7092.7 Ų92.747%0.47348%0.479SS..Hα-helixtrans-64.4-43177-74.70000111.8V24 E25 F31 C32V24-C28 WeakPolarHBondContact O-CB 3.4Å; V24-C28 PolarHBondContact O-N 3.04Å; V24-C28 PolarHBondContact O-SG 3.36Å; E25-C28 PolarHBondContact O-N 3.29Å; C28-F31 PolarHBondContact O-N 3.44Å; C28-C32 PolarHBondContact O-N 2.83Å; C28-C32 PolarHBondContact O-SG 3.3Å
29L96.9Very high96.4Very high89 Ų8990.3 Ų90.347%0.46647%0.473SS..Hα-helixtrans-63.1-42.5175.6-77.4170.4000111.3E25 D26 F31 C32 F33E25-L29 WeakPolarHBondContact O-CB 3.31Å; E25-L29 WeakPolarHBondContact O-CG 3.29Å; E25-L29 PolarHBondContact O-N 3.14Å; D26-L29 PolarHBondContact O-N 2.92Å; L29-F31 PolarHBondContact O-N 2.92Å; L29-C32 WeakPolarHBondContact O-CB 3.41Å; L29-C32 PolarHBondContact O-N 3.44Å; L29-F33 HydrophobicContact CB-CE2 4.31Å; L29-F33 WeakPolarHBondContact O-CD2 3.48Å; L29-F33 WeakPolarHBondContact O-CG 3.22Å; L29-F33 PolarHBondContact O-N 3.33Å
30G96.3Very high96.3Very high34 Ų3493.1 Ų93.135%0.35148%0.481SS..Hα-helixtrans-53.5-51.6173.300000112D26 S27 C32 F33 E34D26-G30 PolarHBondContact O-N 3.26Å; S27-G30 PolarHBondContact O-N 3Å; G30-C32 PolarHBondContact O-N 2.85Å; G30-F33 PolarHBondContact O-N 3.08Å; G30-E34 PolarHBondContact O-N 3.38Å
31F95.7Very high96Very high133 Ų13390.1 Ų90.158%0.58348%0.482SS*.Hα-helixtrans-61.4-43176.4-179.5-101.8000112.8S27 C28 L29 F33 E34 V35S27-F31 PolarHBondContact O-N 2.96Å; S27-F31 VanDerWaalsContact O-N 3.08Å; C28-F31 PolarHBondContact O-N 3.44Å; L29-F31 PolarHBondContact O-N 2.92Å; F31-F33 VanDerWaalsContact C-N 3.28Å; F31-F33 PolarHBondContact O-N 2.85Å; F31-E34 PolarHBondContact O-N 3.21Å; F31-V35 HydrophobicContact CD1-CG2 4.24Å; F31-V35 HydrophobicContact CE1-CG2 3.74Å; F31-V35 HydrophobicContact CE2-CG2 4.12Å; F31-V35 HydrophobicContact CZ-CG2 3.68Å; F31-V35 WeakPolarHBondContact O-CG2 3.01Å; F31-V35 PolarHBondContact O-N 3.15Å
32C96.6Very high95.5Very high72 Ų7291.2 Ų91.249%0.48650%0.496SS..Hα-helixtrans-59.1-40.1176.8-69.70000112C28 L29 G30 H36C28-C32 PolarHBondContact O-N 2.83Å; C28-C32 PolarHBondContact O-SG 3.3Å; L29-C32 WeakPolarHBondContact O-CB 3.41Å; L29-C32 PolarHBondContact O-N 3.44Å; G30-C32 PolarHBondContact O-N 2.85Å; C32-H36 VanDerWaalsContact O-CB 3.25Å; C32-H36 WeakPolarHBondContact O-CB 3.38Å; C32-H36 PolarHBondContact O-N 3.19Å
33F96.8Very high94.9Very high139 Ų13990.8 Ų90.861%0.6149%0.488SS*.Hα-helixtrans-69.2-37.5177.2-72.6-52.5000112.7L29 G30 F31 H36 R37L29-F33 HydrophobicContact CB-CE2 4.31Å; L29-F33 WeakPolarHBondContact O-CD2 3.48Å; L29-F33 WeakPolarHBondContact O-CG 3.22Å; L29-F33 PolarHBondContact O-N 3.33Å; G30-F33 PolarHBondContact O-N 3.08Å; F31-F33 VanDerWaalsContact C-N 3.28Å; F31-F33 PolarHBondContact O-N 2.85Å; F33-H36 PolarHBondContact O-N 3.18Å; F33-R37 WeakPolarHBondContact O-CB 3.45Å; F33-R37 PolarHBondContact O-N 3.27Å
34E94.4Very high94.1Very high119 Ų11989.9 Ų89.956%0.55648%0.48SS*.Hα-helixtrans-62.2-47.9174.1-72.4-175.2165.300111.7G30 F31 R37 A38G30-E34 PolarHBondContact O-N 3.38Å; F31-E34 PolarHBondContact O-N 3.21Å; E34-R37 WeakPolarHBondContact O-CB 3.49Å; E34-R37 PolarHBondContact O-N 3.15Å; E34-A38 WeakPolarHBondContact O-CB 3.44Å; E34-A38 PolarHBondContact O-N 3.48Å
35V94.3Very high92.9Very high41 Ų4193.9 Ų93.925%0.24849%0.493CS..Hα-helixtrans-60.5-48175.4168.70000110.7F31 R37 A38 V39 F44F31-V35 HydrophobicContact CD1-CG2 4.24Å; F31-V35 HydrophobicContact CE1-CG2 3.74Å; F31-V35 HydrophobicContact CE2-CG2 4.12Å; F31-V35 HydrophobicContact CZ-CG2 3.68Å; F31-V35 WeakPolarHBondContact O-CG2 3.01Å; F31-V35 PolarHBondContact O-N 3.15Å; V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 PolarHBondContact O-N 3.29Å; V35-A38 WeakPolarHBondContact O-CB 3.44Å; V35-A38 PolarHBondContact O-N 3.07Å; V35-A38 VanDerWaalsContact O-N 3.17Å; V35-V39 WeakPolarHBondContact O-CG2 3.31Å; V35-V39 PolarHBondContact O-N 3.04Å; V35-F44 HydrophobicContact CB-CE2 4.3Å; V35-F44 HydrophobicContact CG1-CD2 4.12Å; V35-F44 HydrophobicContact CG1-CE2 3.53Å; V35-F44 HydrophobicContact CG1-CZ 4.03Å; V35-F44 HydrophobicContact CG2-CE2 4.2Å
36H96.1Very high91.4Very high102 Ų10293.7 Ų93.747%0.47250%0.495SS..Hα-helixtrans-60.7-41.1177.6177.1-105.9000111.9C32 F33 V39 K40C32-H36 VanDerWaalsContact O-CB 3.25Å; C32-H36 WeakPolarHBondContact O-CB 3.38Å; C32-H36 PolarHBondContact O-N 3.19Å; F33-H36 PolarHBondContact O-N 3.18Å; H36-V39 PolarHBondContact O-N 3.46Å; H36-K40 WeakPolarHBondContact NE2-CE 3.36Å; H36-K40 WeakPolarHBondContact O-CB 3.5Å; H36-K40 VanDerWaalsContact O-CG 3.31Å; H36-K40 WeakPolarHBondContact O-CG 3.44Å; H36-K40 PolarHBondContact O-N 3.28Å
37R95.6Very high89.7Confident148 Ų14894.7 Ų94.756%0.55850%0.5SS*.Hα-helixtrans-60.8-46.1174.5-171.5-176.681.3-1778.6110.6F33 E34 V35 V39 K40 C41 Y43F33-R37 WeakPolarHBondContact O-CB 3.45Å; F33-R37 PolarHBondContact O-N 3.27Å; E34-R37 WeakPolarHBondContact O-CB 3.49Å; E34-R37 PolarHBondContact O-N 3.15Å; V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 PolarHBondContact O-N 3.29Å; R37-V39 VanDerWaalsContact C-N 3.33Å; R37-V39 PolarHBondContact O-N 3.45Å; R37-K40 PolarHBondContact O-N 3.18Å; R37-C41 VanDerWaalsContact O-CB 3.27Å; R37-C41 WeakPolarHBondContact O-CB 3.45Å; R37-C41 PolarHBondContact O-N 2.9Å; R37-C41 PolarHBondContact O-SG 3.17Å; R37-C41 VanDerWaalsContact O-SG 3.38Å; R37-Y43 PolarHBondContact NE-OH 2.92Å; R37-Y43 PolarHBondContact NH2-OH 3.48Å
38A92.6Very high88Confident10 Ų1096.6 Ų96.68%0.08350%0.504CS..Hα-helixtrans-59.8-43.1177.500000112.3E34 V35 G42 Y43 F44E34-A38 WeakPolarHBondContact O-CB 3.44Å; E34-A38 PolarHBondContact O-N 3.48Å; V35-A38 WeakPolarHBondContact O-CB 3.44Å; V35-A38 PolarHBondContact O-N 3.07Å; V35-A38 VanDerWaalsContact O-N 3.17Å; A38-G42 PolarHBondContact O-N 3.24Å; A38-Y43 VanDerWaalsContact CA-CZ 3.45Å; A38-Y43 HydrophobicContact CB-CD2 3.63Å; A38-Y43 HydrophobicContact CB-CE2 3.28Å; A38-Y43 HydrophobicContact CB-CG 4.45Å; A38-Y43 PolarHBondContact O-N 2.86Å; A38-F44 HydrophobicContact CB-CB 3.95Å; A38-F44 HydrophobicContact CB-CD2 3.95Å; A38-F44 HydrophobicContact CB-CG 4.45Å; A38-F44 PolarHBondContact O-N 3.38Å
39V93.2Very high86.2Confident77 Ų7796.1 Ų96.147%0.46750%0.499SS..Hα-helixtrans-66.2-45.8177173.80000110.8V35 H36 R37 C41 G42 F44V35-V39 WeakPolarHBondContact O-CG2 3.31Å; V35-V39 PolarHBondContact O-N 3.04Å; H36-V39 PolarHBondContact O-N 3.46Å; R37-V39 VanDerWaalsContact C-N 3.33Å; R37-V39 PolarHBondContact O-N 3.45Å; V39-C41 PolarHBondContact O-N 2.91Å; V39-G42 PolarHBondContact O-N 3.24Å; V39-F44 HydrophobicContact CB-CB 4.4Å; V39-F44 HydrophobicContact CG2-CB 3.68Å; V39-F44 HydrophobicContact CG2-CD1 3.75Å; V39-F44 HydrophobicContact CG2-CD2 3.97Å; V39-F44 HydrophobicContact CG2-CE1 4.38Å; V39-F44 HydrophobicContact CG2-CG 3.51Å
40K94.6Very high84.8Confident156 Ų15697.4 Ų97.468%0.67851%0.506SS*.Hα-helixtrans-66.7-37.1-179.3-74.5-65.5-175.9-175.10113.5H36 R37 G42H36-K40 WeakPolarHBondContact NE2-CE 3.36Å; H36-K40 WeakPolarHBondContact O-CB 3.5Å; H36-K40 VanDerWaalsContact O-CG 3.31Å; H36-K40 WeakPolarHBondContact O-CG 3.44Å; H36-K40 PolarHBondContact O-N 3.28Å; R37-K40 PolarHBondContact O-N 3.18Å; K40-G42 VanDerWaalsContact C-N 3.27Å
41C92.1Very high83.3Confident88 Ų88100.3 Ų100.360%0.59552%0.519SS*.Hα-helixtrans-83.7-4.5176.3-66.40000112.8R37 V39 Y43R37-C41 VanDerWaalsContact O-CB 3.27Å; R37-C41 WeakPolarHBondContact O-CB 3.45Å; R37-C41 PolarHBondContact O-N 2.9Å; R37-C41 PolarHBondContact O-SG 3.17Å; R37-C41 VanDerWaalsContact O-SG 3.38Å; V39-C41 PolarHBondContact O-N 2.91Å; C41-Y43 HydrophobicContact CB-CD1 3.41Å; C41-Y43 VanDerWaalsContact CB-CD1 3.41Å; C41-Y43 HydrophobicContact CB-CE1 3.24Å
42G86.5Confident81.7Confident60 Ų6099.4 Ų99.462%0.61952%0.52SS*.THydrogen-bonded Turntrans76.621.8173.500000115A38 V39 K40A38-G42 PolarHBondContact O-N 3.24Å; V39-G42 PolarHBondContact O-N 3.24Å; K40-G42 VanDerWaalsContact C-N 3.27Å
43Y85.3Confident80.1Confident87 Ų8797.9 Ų97.934%0.34151%0.51SS..  trans-109.61.9177.761.7-101.6000114.9R37 A38 C41 F45 L46R37-Y43 PolarHBondContact NE-OH 2.92Å; R37-Y43 PolarHBondContact NH2-OH 3.48Å; A38-Y43 VanDerWaalsContact CA-CZ 3.45Å; A38-Y43 HydrophobicContact CB-CD2 3.63Å; A38-Y43 HydrophobicContact CB-CE2 3.28Å; A38-Y43 HydrophobicContact CB-CG 4.45Å; A38-Y43 PolarHBondContact O-N 2.86Å; C41-Y43 HydrophobicContact CB-CD1 3.41Å; C41-Y43 VanDerWaalsContact CB-CD1 3.41Å; C41-Y43 HydrophobicContact CB-CE1 3.24Å; Y43-F45 VanDerWaalsContact C-N 3.28Å; Y43-F45 PolarHBondContact O-N 3.27Å; Y43-L46 VanDerWaalsContact CB-CD1 3.47Å; Y43-L46 PolarHBondContact O-N 3.45Å
44F82.1Confident78.7Confident89 Ų8995.9 Ų95.939%0.3950%0.504SS..THydrogen-bonded Turntrans-59.5-33.9-178.5-173.6-111.1000114.3V35 A38 V39V35-F44 HydrophobicContact CB-CE2 4.3Å; V35-F44 HydrophobicContact CG1-CD2 4.12Å; V35-F44 HydrophobicContact CG1-CE2 3.53Å; V35-F44 HydrophobicContact CG1-CZ 4.03Å; V35-F44 HydrophobicContact CG2-CE2 4.2Å; A38-F44 HydrophobicContact CB-CB 3.95Å; A38-F44 HydrophobicContact CB-CD2 3.95Å; A38-F44 HydrophobicContact CB-CG 4.45Å; A38-F44 PolarHBondContact O-N 3.38Å; V39-F44 HydrophobicContact CB-CB 4.4Å; V39-F44 HydrophobicContact CG2-CB 3.68Å; V39-F44 HydrophobicContact CG2-CD1 3.75Å; V39-F44 HydrophobicContact CG2-CD2 3.97Å; V39-F44 HydrophobicContact CG2-CE1 4.38Å; V39-F44 HydrophobicContact CG2-CG 3.51Å
45F72.9Confident77.4Confident141 Ų14196.6 Ų96.662%0.61851%0.505SS*.THydrogen-bonded Turntrans-102.214-178.9-66.8-71.1000113.5Y43 D47 D48Y43-F45 VanDerWaalsContact C-N 3.28Å; Y43-F45 PolarHBondContact O-N 3.27Å; F45-D47 VanDerWaalsContact C-N 3.26Å; F45-D47 PolarHBondContact O-N 2.88Å; F45-D48 HydrophobicContact CB-CB 4.48Å; F45-D48 HydrophobicContact CD1-CB 4.24Å; F45-D48 VanDerWaalsContact CD1-OD2 3.22Å; F45-D48 WeakPolarHBondContact CD1-OD2 3.22Å; F45-D48 PolarHBondContact O-N 3Å
46L66.4Low75.9Confident116 Ų116100.6 Ų100.661%0.60753%0.525SS*.SBendtrans-69-29.7177.3-68179.8000112Y43Y43-L46 VanDerWaalsContact CB-CD1 3.47Å; Y43-L46 PolarHBondContact O-N 3.45Å
47D61.5Low74.4Confident133 Ų133102.3 Ų102.371%0.71153%0.531SS*.SBendtrans-81.9-11.6175-78-4.4000113F45 T49 M54F45-D47 VanDerWaalsContact C-N 3.26Å; F45-D47 PolarHBondContact O-N 2.88Å; D47-T49 PolarHBondContact O-N 3.21Å; D47-M54 WeakPolarHBondContact O-CE 3.39Å
48D60.3Low73.4Confident125 Ų125101.5 Ų101.567%0.66853%0.534SS*.  trans-82.936173.2-85.8-7.1000111.6F45F45-D48 HydrophobicContact CB-CB 4.48Å; F45-D48 HydrophobicContact CD1-CB 4.24Å; F45-D48 VanDerWaalsContact CD1-OD2 3.22Å; F45-D48 WeakPolarHBondContact CD1-OD2 3.22Å; F45-D48 PolarHBondContact O-N 3Å
49T60.4Low72.7Confident60 Ų60107.3 Ų107.337%0.36856%0.562SS.*  trans-73.3136.4167.531.20000108.7D47D47-T49 PolarHBondContact O-N 3.21Å
50D66.4Low72.1Confident115 Ų115105.7 Ų105.762%0.61555%0.553SS**  trans-44143.5-179.3-74.9-62.9000111.1D52 S53 M54D50-D52 PolarHBondContact O-N 2.8Å; D50-S53 CarbonylContact O-C 3.51Å; D50-S53 VanDerWaalsContact O-CA 3.32Å; D50-S53 WeakPolarHBondContact O-CA 3.25Å; D50-S53 VanDerWaalsContact O-CB 3.29Å; D50-S53 WeakPolarHBondContact O-CB 3.08Å; D50-S53 PolarHBondContact O-N 3.35Å; D50-M54 PolarHBondContact O-N 2.93Å
51P65.2Low71.4Confident96 Ų96105.9 Ų105.962%0.62356%0.561SS**Hα-helixtrans-57.4-24.4-178.922-33.3000113.2
52D61.8Low70.8Confident113 Ų113107.2 Ų107.260%0.60456%0.559SS**Hα-helixtrans-74.9-33.9171.2-69.9-36.6000112.7D50 K55D50-D52 PolarHBondContact O-N 2.8Å; D52-K55 PolarHBondContact O-N 3.18Å
53S64.7Low70.4Confident40 Ų40111 Ų11128%0.2857%0.572SS.*Hα-helixtrans-70.2-34.7172.8-61.30000111.8D50 K55 D56 F57D50-S53 CarbonylContact O-C 3.51Å; D50-S53 VanDerWaalsContact O-CA 3.32Å; D50-S53 WeakPolarHBondContact O-CA 3.25Å; D50-S53 VanDerWaalsContact O-CB 3.29Å; D50-S53 WeakPolarHBondContact O-CB 3.08Å; D50-S53 PolarHBondContact O-N 3.35Å; S53-K55 VanDerWaalsContact C-N 3.27Å; S53-K55 PolarHBondContact O-N 3.5Å; S53-D56 WeakPolarHBondContact O-CB 3.31Å; S53-D56 PolarHBondContact O-N 2.89Å; S53-F57 WeakPolarHBondContact O-CD2 3.16Å; S53-F57 WeakPolarHBondContact O-CE2 3.5Å
54M65.6Low70.2Confident98 Ų98109.9 Ų109.948%0.48359%0.587SS.*Hα-helixtrans-62.1-34.1174.4-74.6-173.5-178.800112.7D47 D50 D56 F57 E58D47-M54 WeakPolarHBondContact O-CE 3.39Å; D50-M54 PolarHBondContact O-N 2.93Å; M54-D56 VanDerWaalsContact C-N 3.31Å; M54-D56 PolarHBondContact O-N 3.31Å; M54-F57 CarbonylContact O-C 3.51Å; M54-F57 PolarHBondContact O-N 3.35Å; M54-E58 PolarHBondContact O-N 3.45Å; M54-E58 VanDerWaalsContact O-N 3.15Å
55K67.4Low70.3Confident134 Ų134108.3 Ų108.358%0.58358%0.582SS**Hα-helixtrans-65.7-32.7175.2-76.2177-177.9164.60112.9D52 S53 F57 E58D52-K55 PolarHBondContact O-N 3.18Å; S53-K55 VanDerWaalsContact C-N 3.27Å; S53-K55 PolarHBondContact O-N 3.5Å; K55-F57 PolarHBondContact O-N 3.01Å; K55-E58 VanDerWaalsContact O-CB 3.31Å; K55-E58 WeakPolarHBondContact O-CB 3.43Å; K55-E58 PolarHBondContact O-N 3.44Å; K55-E58 VanDerWaalsContact O-N 3.15Å
56D63.5Low70.8Confident124 Ų124104 Ų10466%0.66357%0.566SS**Hα-helixtrans-68.1-18.8176.4-70.5-20.4000112.5S53 M54S53-D56 WeakPolarHBondContact O-CB 3.31Å; S53-D56 PolarHBondContact O-N 2.89Å; M54-D56 VanDerWaalsContact C-N 3.31Å; M54-D56 PolarHBondContact O-N 3.31Å
57F63.7Low71.7Confident138 Ų138103.3 Ų103.361%0.60556%0.562SS**THydrogen-bonded Turntrans-104.93.6174.1-56.5-71.5000113.3S53 M54 K55 I59S53-F57 WeakPolarHBondContact O-CD2 3.16Å; S53-F57 WeakPolarHBondContact O-CE2 3.5Å; M54-F57 CarbonylContact O-C 3.51Å; M54-F57 PolarHBondContact O-N 3.35Å; K55-F57 PolarHBondContact O-N 3.01Å; F57-I59 PolarHBondContact O-N 2.85Å
58E74.9Confident72.6Confident131 Ų131102.6 Ų102.661%0.61255%0.552SS**  trans-64.6121.6174.8-171.1176.817900108.7M54 K55 V60M54-E58 PolarHBondContact O-N 3.45Å; M54-E58 VanDerWaalsContact O-N 3.15Å; K55-E58 VanDerWaalsContact O-CB 3.31Å; K55-E58 WeakPolarHBondContact O-CB 3.43Å; K55-E58 PolarHBondContact O-N 3.44Å; K55-E58 VanDerWaalsContact O-N 3.15Å; E58-V60 PolarHBondContact O-N 3.01Å; E58-V60 VanDerWaalsContact O-N 3.13Å
59I78Confident73.6Confident132 Ų13298 Ų9868%0.67753%0.534SS*.  trans-70.1114.1-176.5-60.9172.3000108.3F57 D61 I67F57-I59 PolarHBondContact O-N 2.85Å; I59-D61 PolarHBondContact O-N 3.04Å; I59-I67 WeakPolarHBondContact CA-O 3.33Å; I59-I67 HydrophobicContact CG2-CB 4.31Å; I59-I67 HydrophobicContact CG2-CG2 4.37Å
60V81.6Confident74.5Confident44 Ų44101.1 Ų101.127%0.26755%0.545SS..  trans-87.2109.7177.1-177.40000109.4E58 Q62 L65 I67E58-V60 PolarHBondContact O-N 3.01Å; E58-V60 VanDerWaalsContact O-N 3.13Å; V60-Q62 HydrophobicContact CG1-CB 4.16Å; V60-Q62 HydrophobicContact CG1-CG 3.94Å; V60-Q62 PolarHBondContact O-N 3.13Å; V60-L65 HydrophobicContact CG1-CD1 4.41Å; V60-I67 PolarHBondContact N-O 3.48Å
61D79.4Confident75.2Confident160 Ų160100.1 Ų100.186%0.85654%0.543SS*.  trans-96.380.3172.9-167.715000110.5I59I59-D61 PolarHBondContact O-N 3.04Å
62Q79.7Confident75.5Confident116 Ų116102.4 Ų102.454%0.54254%0.543SS..  trans-131.5135.1174.7-69.2-170.220.400111.1V60 G64 L65V60-Q62 HydrophobicContact CG1-CB 4.16Å; V60-Q62 HydrophobicContact CG1-CG 3.94Å; V60-Q62 PolarHBondContact O-N 3.13Å; Q62-G64 PolarHBondContact O-N 2.85Å; Q62-L65 HydrophobicContact CB-CB 4.48Å; Q62-L65 HydrophobicContact CB-CD1 4.08Å; Q62-L65 HydrophobicContact CB-CG 4.44Å; Q62-L65 PolarHBondContact O-N 3.29Å
63P77.8Confident76Confident139 Ų139101 Ų10190%0.90354%0.536SS*.THydrogen-bonded Turntrans-64125.1-179.424.2-31.8000111.2
64G81.3Confident76Confident63 Ų63105.6 Ų105.665%0.64955%0.553SS**THydrogen-bonded Turntrans94.5-4.1-179.900000115Q62Q62-G64 PolarHBondContact O-N 2.85Å
65L83.3Confident76Confident56 Ų56111 Ų11129%0.29357%0.568SS.*BIsolated β-bridgetrans-109.7152.5169.9-58.4-179.2000109.6V60 Q62 V71V60-L65 HydrophobicContact CG1-CD1 4.41Å; Q62-L65 HydrophobicContact CB-CB 4.48Å; Q62-L65 HydrophobicContact CB-CD1 4.08Å; Q62-L65 HydrophobicContact CB-CG 4.44Å; Q62-L65 PolarHBondContact O-N 3.29Å; L65-V71 HydrophobicContact CD2-CB 4.3Å; L65-V71 HydrophobicContact CD2-CG2 3.51Å
66D83.7Confident76.1Confident52 Ų52112.1 Ų112.128%0.27857%0.573SS.*  trans-79175.8168.174.411.8000111.4F68 G69 Q70D66-F68 PolarHBondContact O-N 3.2Å; D66-F68 WeakPolarHBondContact OD1-CA 3.48Å; D66-F68 WeakPolarHBondContact OD1-CB 3.27Å; D66-F68 PolarHBondContact OD1-N 3.24Å; D66-G69 PolarHBondContact O-N 2.88Å; D66-G69 PolarHBondContact OD1-N 3.36Å; D66-Q70 PolarHBondContact N-O 2.87Å; D66-Q70 PolarHBondContact OD1-N 2.84Å
67I84.7Confident76.6Confident101 Ų101109.9 Ų109.952%0.51857%0.567SS.*THydrogen-bonded Turntrans-58.7-15.8179.959.2170.3000114I59 V60I59-I67 WeakPolarHBondContact CA-O 3.33Å; I59-I67 HydrophobicContact CG2-CB 4.31Å; I59-I67 HydrophobicContact CG2-CG2 4.37Å; V60-I67 PolarHBondContact N-O 3.48Å
68F82.1Confident77.6Confident117 Ų117111.2 Ų111.251%0.51357%0.572SS.*THydrogen-bonded Turntrans-10313.8176.2-55.8-71.4000111.9D66 Q70D66-F68 PolarHBondContact O-N 3.2Å; D66-F68 WeakPolarHBondContact OD1-CA 3.48Å; D66-F68 WeakPolarHBondContact OD1-CB 3.27Å; D66-F68 PolarHBondContact OD1-N 3.24Å; F68-Q70 HydrophobicContact CB-CG 4.43Å; F68-Q70 PolarHBondContact O-N 3.38Å
69G79.9Confident78.3Confident28 Ų28112.2 Ų112.229%0.28958%0.577SS.*SBendtrans71.213-178.900000114.5D66D66-G69 PolarHBondContact O-N 2.88Å; D66-G69 PolarHBondContact OD1-N 3.36Å
70Q79.9Confident78.9Confident127 Ų127107.5 Ų107.559%0.59356%0.555SS**  trans-89.4137.1-179.5-57.1-1745.500111.7D66 F68 F72D66-Q70 PolarHBondContact N-O 2.87Å; D66-Q70 PolarHBondContact OD1-N 2.84Å; F68-Q70 HydrophobicContact CB-CG 4.43Å; F68-Q70 PolarHBondContact O-N 3.38Å; Q70-F72 PolarHBondContact O-N 3.17Å
71V81.3Confident79.4Confident93 Ų93110 Ų11056%0.56457%0.571SS**BIsolated β-bridgetrans-68.2119.8174.6-178.40000109.7L65 N73L65-V71 HydrophobicContact CD2-CB 4.3Å; L65-V71 HydrophobicContact CD2-CG2 3.51Å; V71-N73 PolarHBondContact O-N 3.26Å; V71-N73 PolarHBondContact O-ND2 3.26Å
72F70.3Confident80.1Confident145 Ų145102.4 Ų102.464%0.63653%0.53SS*.  trans-68.396.6178.7-173.9-105.6000111.5Q70 Q74Q70-F72 PolarHBondContact O-N 3.17Å; F72-Q74 HydrophobicContact CD1-CB 4.08Å; F72-Q74 HydrophobicContact CE1-CB 3.74Å; F72-Q74 PolarHBondContact O-N 2.9Å
73N72.3Confident80.6Confident83 Ų83102.6 Ų102.644%0.44454%0.541SS..  trans-81.781.7176.1-77.7-73.3000111.1V71 W75 K76V71-N73 PolarHBondContact O-N 3.26Å; V71-N73 PolarHBondContact O-ND2 3.26Å; N73-W75 PolarHBondContact O-N 3.21Å; N73-K76 HydrophobicContact CB-CD 4.39Å; N73-K76 PolarHBondContact O-N 3.06Å
74Q66.4Low81Confident137 Ų137100.5 Ų100.564%0.6452%0.523SS*.THydrogen-bonded Turntrans-55.8-16.8175.761.3-178.2-1.900114.9F72F72-Q74 HydrophobicContact CD1-CB 4.08Å; F72-Q74 HydrophobicContact CE1-CB 3.74Å; F72-Q74 PolarHBondContact O-N 2.9Å
75W64.4Low81.5Confident212 Ų21299.8 Ų99.880%0.80351%0.507SS*.THydrogen-bonded Turntrans-90.7-17-170.7-38.480.3000113.9N73 S77N73-W75 PolarHBondContact O-N 3.21Å; W75-S77 PolarHBondContact O-N 2.91Å
76K70.4Confident81.8Confident157 Ų157102 Ų10268%0.68353%0.527SS*.SBendtrans-92.1103178.5-71.6174.6-177.2174.60108.2N73 K78N73-K76 HydrophobicContact CB-CD 4.39Å; N73-K76 PolarHBondContact O-N 3.06Å; K76-K78 PolarHBondContact O-N 2.97Å
77S73.8Confident82.1Confident77 Ų77107.3 Ų107.354%0.53854%0.543SS..  trans-60.5114175.9610000109.6W75 E79W75-S77 PolarHBondContact O-N 2.91Å; S77-E79 PolarHBondContact O-N 3.35Å
78K85Confident82.5Confident166 Ų166106.1 Ų106.172%0.72254%0.544SS*.  trans-63.7130.8170.7-63-175.2-179.8-1760108.2K76 A91K76-K78 PolarHBondContact O-N 2.97Å; K78-A91 HydrophobicContact CB-CB 4.21Å; K78-A91 WeakPolarHBondContact O-CB 3.47Å; K78-A91 PolarHBondContact O-N 3.47Å
79E89.6Confident83Confident151 Ų151101.4 Ų101.471%0.70652%0.524SS*.EExtended strand (participates in β ladder)trans-91.7142.7175.3-64.8-174.2176.600109.8S77S77-E79 PolarHBondContact O-N 3.35Å
80C90.1Very high83.6Confident33 Ų33101.1 Ų101.122%0.22352%0.519CS..EExtended strand (participates in β ladder)trans-133.3148.1179.457.40000109.5S88 I89 F94C80-S88 WeakPolarHBondContact O-CA 3.48Å; C80-I89 PolarHBondContact N-O 3.36Å; C80-I89 PolarHBondContact O-N 3.36Å; C80-I89 VanDerWaalsContact O-O 3.07Å; C80-I89 PolarHBondContact SG-O 2.74Å; C80-F94 HydrophobicContact CB-CD2 4.39Å; C80-F94 HydrophobicContact CB-CE2 4.49Å; C80-F94 WeakPolarHBondContact SG-CD2 3.48Å; C80-F94 WeakPolarHBondContact SG-CG 3.17Å
81V92.7Very high84.1Confident98 Ų9897.5 Ų97.559%0.59451%0.51SS*.EExtended strand (participates in β ladder)trans-101.8125.4-177.9-178.40000108.7P83V81-P83 WeakPolarHBondContact O-CD 3.48Å
82C92.7Very high84.5Confident0 Ų097.9 Ų97.90%052%0.517CS..  trans-69.3123.1176.3178.10000110.4N84 S86 R87 F94 H97C82-N84 PolarHBondContact O-N 3.22Å; C82-N84 PolarHBondContact SG-N 3.44Å; C82-S86 WeakPolarHBondContact O-CA 3.22Å; C82-S86 PolarHBondContact O-N 3.26Å; C82-R87 PolarHBondContact N-O 3.47Å; C82-F94 HydrophobicContact CB-CE2 4.01Å; C82-H97 WeakPolarHBondContact CB-NE2 3.34Å; C82-H97 PolarHBondContact SG-NE2 3.22Å
83P90.1Very high85.5Confident120 Ų12098.8 Ų98.878%0.77952%0.516SS*.THydrogen-bonded Turntrans-67-20.4-179.725.6-33.4000113.4V81V81-P83 WeakPolarHBondContact O-CD 3.48Å
84N87.3Confident86.4Confident95 Ų9597.3 Ų97.351%0.50851%0.506SS..THydrogen-bonded Turntrans-90.1-38.5-176.8-169.220.6000113.5C82 C101 L102C82-N84 PolarHBondContact O-N 3.22Å; C82-N84 PolarHBondContact SG-N 3.44Å; N84-C101 PolarHBondContact ND2-O 3.46Å; N84-L102 HydrophobicContact CB-CD2 4.47Å
85C91.7Very high87.6Confident48 Ų4893.7 Ų93.732%0.32450%0.5SS..THydrogen-bonded Turntrans-119.27.4-179.874.10000114.5R87 H97 C101C85-R87 PolarHBondContact O-N 3.09Å; C85-R87 VanDerWaalsContact SG-CB 3.58Å; C85-H97 PolarHBondContact SG-CE1 2.62Å; C85-H97 PolarHBondContact SG-NE2 3.18Å; C85-C101 VanDerWaalsContact SG-SG 3.68Å
86S88.8Confident88.7Confident101 Ų10186.7 Ų86.771%0.70648%0.482SS*.  trans50.716.8179.958.40000116C82C82-S86 WeakPolarHBondContact O-CA 3.22Å; C82-S86 PolarHBondContact O-N 3.26Å
87R91.4Very high89.7Confident165 Ų16580.9 Ų80.962%0.62346%0.457SS*.  trans-79.4133.7178.3-168.3177.5-68.8-106.52.5110.1C82 C85 I89C82-R87 PolarHBondContact N-O 3.47Å; C85-R87 PolarHBondContact O-N 3.09Å; C85-R87 VanDerWaalsContact SG-CB 3.58Å; R87-I89 HydrophobicContact CB-CD1 4.28Å; R87-I89 HydrophobicContact CB-CG1 4.47Å; R87-I89 HydrophobicContact CG-CD1 3.78Å; R87-I89 HydrophobicContact CG-CG1 4.4Å
88S92.8Very high90.5Very high76 Ų7679.4 Ų79.453%0.53144%0.442SS..EExtended strand (participates in β ladder)trans-72.3126.8167.253.80000109.9C80C80-S88 WeakPolarHBondContact O-CA 3.48Å
89I92Very high90.6Very high18 Ų1877 Ų779%0.09243%0.434CS..EExtended strand (participates in β ladder)trans-133.4142.1-176.5-55.2-68.8000107.3C80 R87 A91 R93 F94 H97C80-I89 PolarHBondContact N-O 3.36Å; C80-I89 PolarHBondContact O-N 3.36Å; C80-I89 VanDerWaalsContact O-O 3.07Å; C80-I89 PolarHBondContact SG-O 2.74Å; R87-I89 HydrophobicContact CB-CD1 4.28Å; R87-I89 HydrophobicContact CB-CG1 4.47Å; R87-I89 HydrophobicContact CG-CD1 3.78Å; R87-I89 HydrophobicContact CG-CG1 4.4Å; I89-A91 PolarHBondContact O-N 3.42Å; I89-R93 HydrophobicContact CG2-CB 3.99Å; I89-F94 HydrophobicContact CB-CD2 4.28Å; I89-H97 HydrophobicContact CG1-CB 4.4Å; I89-H97 HydrophobicContact CG2-CB 4.22Å
90A93Very high90.5Very high22 Ų2277.4 Ų77.418%0.18243%0.433CS..EExtended strand (participates in β ladder)trans-61.4136.8169.500000110S92 R93 F94A90-S92 PolarHBondContact O-N 3.47Å; A90-S92 VanDerWaalsContact O-N 3.11Å; A90-R93 CarbonylContact O-C 3.58Å; A90-R93 WeakPolarHBondContact O-CA 3.48Å; A90-R93 PolarHBondContact O-N 3.28Å; A90-F94 PolarHBondContact O-N 3.06Å
91A90.9Very high90.3Very high51 Ų5177.4 Ų77.442%0.42143%0.433SS..G310 helixtrans-52-38.5-179.200000112.3K78 I89 R93 F94K78-A91 HydrophobicContact CB-CB 4.21Å; K78-A91 WeakPolarHBondContact O-CB 3.47Å; K78-A91 PolarHBondContact O-N 3.47Å; I89-A91 PolarHBondContact O-N 3.42Å; A91-R93 PolarHBondContact O-N 2.81Å; A91-R93 VanDerWaalsContact O-N 3.16Å; A91-F94 WeakPolarHBondContact O-CB 3.43Å; A91-F94 PolarHBondContact O-N 2.78Å
92S89.4Confident89.9Confident100 Ų10077.3 Ų77.370%0.69943%0.429SS*.G310 helixtrans-60.8-22.8175.358.60000114.5A90A90-S92 PolarHBondContact O-N 3.47Å; A90-S92 VanDerWaalsContact O-N 3.11Å
93R90.3Very high89.1Confident165 Ų16580 Ų8062%0.62346%0.456SS*.G310 helixtrans-111.37.2-178.3-62.3178.365.7-131.91.4112.7I89 A90 A91 P96 H97I89-R93 HydrophobicContact CG2-CB 3.99Å; A90-R93 CarbonylContact O-C 3.58Å; A90-R93 WeakPolarHBondContact O-CA 3.48Å; A90-R93 PolarHBondContact O-N 3.28Å; A91-R93 PolarHBondContact O-N 2.81Å; A91-R93 VanDerWaalsContact O-N 3.16Å; R93-P96 WeakPolarHBondContact O-CD 3.46Å; R93-H97 WeakPolarHBondContact O-CB 3.43Å; R93-H97 PolarHBondContact O-N 3.42Å
94F91.8Very high88Confident51 Ų5182.3 Ų82.322%0.22446%0.459CS..Hα-helixtrans-68.3-44.2-176.9-164.2-119.9000112.2C80 C82 I89 A90 A91 H97 L98C80-F94 HydrophobicContact CB-CD2 4.39Å; C80-F94 HydrophobicContact CB-CE2 4.49Å; C80-F94 WeakPolarHBondContact SG-CD2 3.48Å; C80-F94 WeakPolarHBondContact SG-CG 3.17Å; C82-F94 HydrophobicContact CB-CE2 4.01Å; I89-F94 HydrophobicContact CB-CD2 4.28Å; A90-F94 PolarHBondContact O-N 3.06Å; A91-F94 WeakPolarHBondContact O-CB 3.43Å; A91-F94 PolarHBondContact O-N 2.78Å; F94-H97 WeakPolarHBondContact O-CA 3.45Å; F94-H97 WeakPolarHBondContact O-CB 3.08Å; F94-H97 PolarHBondContact O-N 2.96Å; F94-H97 VanDerWaalsContact O-N 3.12Å; F94-L98 HydrophobicContact CD1-CD1 3.71Å; F94-L98 HydrophobicContact CD1-CG 4.11Å; F94-L98 HydrophobicContact CE1-CD1 3.54Å; F94-L98 HydrophobicContact CE1-CD2 4.17Å; F94-L98 HydrophobicContact CE1-CG 3.98Å; F94-L98 HydrophobicContact CE2-CD2 4.46Å; F94-L98 HydrophobicContact CZ-CD1 4.24Å; F94-L98 HydrophobicContact CZ-CD2 4.02Å; F94-L98 HydrophobicContact CZ-CG 4.24Å; F94-L98 WeakPolarHBondContact O-CG 3.38Å; F94-L98 PolarHBondContact O-N 3.07Å
95A90.8Very high86.8Confident62 Ų6278.9 Ų78.951%0.51245%0.445SS..Hα-helixtrans-60.7-50.9177.800000113.2H97 L98 E99A95-H97 PolarHBondContact O-N 3.2Å; A95-H97 VanDerWaalsContact O-N 3.13Å; A95-L98 PolarHBondContact O-N 2.8Å; A95-L98 VanDerWaalsContact O-N 3.13Å; A95-E99 PolarHBondContact O-N 3.34Å; A95-E99 VanDerWaalsContact O-N 3.11Å
96P88.7Confident85.5Confident65 Ų6586.6 Ų86.642%0.42247%0.468SS..Hα-helixtrans-60.2-24.7173.8-24.332.1000114.5R93R93-P96 WeakPolarHBondContact O-CD 3.46Å
97H91.1Very high84.1Confident34 Ų3486 Ų8616%0.15746%0.457CS..Hα-helixtrans-76.2-47174.2170.469.9000111.4C82 C85 I89 R93 F94 A95 E99 K100 C101C82-H97 WeakPolarHBondContact CB-NE2 3.34Å; C82-H97 PolarHBondContact SG-NE2 3.22Å; C85-H97 PolarHBondContact SG-CE1 2.62Å; C85-H97 PolarHBondContact SG-NE2 3.18Å; I89-H97 HydrophobicContact CG1-CB 4.4Å; I89-H97 HydrophobicContact CG2-CB 4.22Å; R93-H97 WeakPolarHBondContact O-CB 3.43Å; R93-H97 PolarHBondContact O-N 3.42Å; F94-H97 WeakPolarHBondContact O-CA 3.45Å; F94-H97 WeakPolarHBondContact O-CB 3.08Å; F94-H97 PolarHBondContact O-N 2.96Å; F94-H97 VanDerWaalsContact O-N 3.12Å; A95-H97 PolarHBondContact O-N 3.2Å; A95-H97 VanDerWaalsContact O-N 3.13Å; H97-E99 VanDerWaalsContact C-N 3.32Å; H97-E99 PolarHBondContact O-N 3.37Å; H97-K100 PolarHBondContact O-N 2.83Å; H97-K100 VanDerWaalsContact O-N 3.12Å; H97-C101 VanDerWaalsContact O-CB 3.24Å; H97-C101 WeakPolarHBondContact O-CB 3.3Å; H97-C101 PolarHBondContact O-N 3.09Å
98L89.6Confident82.8Confident46 Ų4682.5 Ų82.524%0.24146%0.458CS..Hα-helixtrans-59.1-41.2178.4-72.6-179.5000112.1F94 A95 K100 C101 L102F94-L98 HydrophobicContact CD1-CD1 3.71Å; F94-L98 HydrophobicContact CD1-CG 4.11Å; F94-L98 HydrophobicContact CE1-CD1 3.54Å; F94-L98 HydrophobicContact CE1-CD2 4.17Å; F94-L98 HydrophobicContact CE1-CG 3.98Å; F94-L98 HydrophobicContact CE2-CD2 4.46Å; F94-L98 HydrophobicContact CZ-CD1 4.24Å; F94-L98 HydrophobicContact CZ-CD2 4.02Å; F94-L98 HydrophobicContact CZ-CG 4.24Å; F94-L98 WeakPolarHBondContact O-CG 3.38Å; F94-L98 PolarHBondContact O-N 3.07Å; A95-L98 PolarHBondContact O-N 2.8Å; A95-L98 VanDerWaalsContact O-N 3.13Å; L98-K100 PolarHBondContact O-N 2.96Å; L98-C101 PolarHBondContact O-N 3.43Å; L98-L102 HydrophobicContact CB-CD1 4.22Å; L98-L102 HydrophobicContact CD2-CD1 4.22Å; L98-L102 VanDerWaalsContact O-CB 3.28Å; L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 PolarHBondContact O-N 3.47Å
99E88.4Confident81.5Confident117 Ų11782.2 Ų82.255%0.54746%0.456SS..Hα-helixtrans-55-37.8175.6-71.4175.7-17200113.1A95 H97 G105A95-E99 PolarHBondContact O-N 3.34Å; A95-E99 VanDerWaalsContact O-N 3.11Å; H97-E99 VanDerWaalsContact C-N 3.32Å; H97-E99 PolarHBondContact O-N 3.37Å; E99-G105 PolarHBondContact O-N 3.11Å
100K86.4Confident80.3Confident159 Ų15989.9 Ų89.969%0.69148%0.483SS*.Hα-helixtrans-85.2-37.2178.9-65.5173.9-173.1172.30112.1H97 L98H97-K100 PolarHBondContact O-N 2.83Å; H97-K100 VanDerWaalsContact O-N 3.12Å; L98-K100 PolarHBondContact O-N 2.96Å
101C87.3Confident79Confident33 Ų3392.1 Ų92.122%0.22349%0.492CS..Hα-helixtrans-75.6-36.3-175.1-164.80000112.1N84 C85 H97 L98 G103N84-C101 PolarHBondContact ND2-O 3.46Å; C85-C101 VanDerWaalsContact SG-SG 3.68Å; H97-C101 VanDerWaalsContact O-CB 3.24Å; H97-C101 WeakPolarHBondContact O-CB 3.3Å; H97-C101 PolarHBondContact O-N 3.09Å; L98-C101 PolarHBondContact O-N 3.43Å; C101-G103 VanDerWaalsContact C-N 3.34Å
102L84.3Confident77.6Confident96 Ų9691.7 Ų91.750%0.50349%0.488SS..SBendtrans-87.8-3.2176.9-65.1169.6000112.6N84 L98 M104N84-L102 HydrophobicContact CB-CD2 4.47Å; L98-L102 HydrophobicContact CB-CD1 4.22Å; L98-L102 HydrophobicContact CD2-CD1 4.22Å; L98-L102 VanDerWaalsContact O-CB 3.28Å; L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 PolarHBondContact O-N 3.47Å; L102-M104 PolarHBondContact O-N 3.27Å; L102-M104 VanDerWaalsContact O-N 3.11Å
103G75.6Confident76.4Confident55 Ų5592.3 Ų92.357%0.56748%0.483SS*.SBendtrans70.73175.700000115.5C101 G105C101-G103 VanDerWaalsContact C-N 3.34Å; G103-G105 PolarHBondContact O-N 3.46Å
104M65.6Low75.5Confident170 Ų17094 Ų9484%0.83749%0.49SS*.  trans-71.1-12.6175.9-83160.258.200113.8L102L102-M104 PolarHBondContact O-N 3.27Å; L102-M104 VanDerWaalsContact O-N 3.11Å
105G62.9Low74.4Confident22 Ų22100.5 Ų100.523%0.22751%0.513CS..SBendtrans-105.1121.2179.400000113.9E99 G103 N107E99-G105 PolarHBondContact O-N 3.11Å; G103-G105 PolarHBondContact O-N 3.46Å; G105-N107 WeakPolarHBondContact O-CB 3.38Å; G105-N107 PolarHBondContact O-N 3.11Å
106R64.6Low73.1Confident210 Ų210102.4 Ų102.479%0.79251%0.513SS*.SBendtrans28.433.1150.2-63.4-177.8174.4123.1-5.4119.1
107N59.7Low71.6Confident89 Ų89102.8 Ų102.848%0.47652%0.522SS..  trans-102-35.2-178.8-15317.8000111.3G105 S109 R110 I111G105-N107 WeakPolarHBondContact O-CB 3.38Å; G105-N107 PolarHBondContact O-N 3.11Å; N107-S109 PolarHBondContact O-N 3.18Å; N107-R110 PolarHBondContact O-N 3.19Å; N107-I111 WeakPolarHBondContact O-CB 3.37Å; N107-I111 VanDerWaalsContact O-CD1 3.23Å; N107-I111 WeakPolarHBondContact O-CD1 3.34Å; N107-I111 PolarHBondContact O-N 3.16Å; N107-I111 VanDerWaalsContact OD1-CD1 3.24Å; N107-I111 WeakPolarHBondContact OD1-CD1 3.3Å
108S64.5Low70.2Confident92 Ų92107.2 Ų107.264%0.64355%0.547SS*.Hα-helixtrans-57.6-45.6173.651.90000112R110 I111 A112S108-R110 PolarHBondContact O-N 3.09Å; S108-I111 PolarHBondContact O-N 2.97Å; S108-A112 VanDerWaalsContact O-CB 3.29Å; S108-A112 WeakPolarHBondContact O-CB 3.31Å; S108-A112 PolarHBondContact O-N 3.22Å
109S64.2Low68.8Low70 Ų70108 Ų10849%0.4956%0.557SS.*Hα-helixtrans-64.1-38.5178.5-40.50000112.9N107 N113N107-S109 PolarHBondContact O-N 3.18Å; S109-N113 WeakPolarHBondContact O-CB 3.49Å; S109-N113 PolarHBondContact O-N 3.32Å
110R66.6Low67.4Low178 Ų178108.8 Ų108.867%0.67256%0.564SS**Hα-helixtrans-73.3-35.5177.7-65.4-175.8-167.3-155.31.4112N107 S108 R114N107-R110 PolarHBondContact O-N 3.19Å; S108-R110 PolarHBondContact O-N 3.09Å; R110-R114 WeakPolarHBondContact O-CB 3.42Å; R110-R114 PolarHBondContact O-N 2.8Å; R110-R114 VanDerWaalsContact O-N 3.14Å
111I66.1Low66Low70 Ų70107.4 Ų107.436%0.35957%0.565SS.*Hα-helixtrans-69.3-40.8173.4-91.476.3000110.8N107 S108 R114 R115N107-I111 WeakPolarHBondContact O-CB 3.37Å; N107-I111 VanDerWaalsContact O-CD1 3.23Å; N107-I111 WeakPolarHBondContact O-CD1 3.34Å; N107-I111 PolarHBondContact O-N 3.16Å; N107-I111 VanDerWaalsContact OD1-CD1 3.24Å; N107-I111 WeakPolarHBondContact OD1-CD1 3.3Å; S108-I111 PolarHBondContact O-N 2.97Å; I111-R114 PolarHBondContact O-N 2.88Å; I111-R115 WeakPolarHBondContact O-CG 3.37Å; I111-R115 PolarHBondContact O-N 2.81Å
112A61.5Low64.5Low42 Ų42113.5 Ų113.535%0.34759%0.592SS.*Hα-helixtrans-63.1-48.5177.100000111.4S108 R114 R115 I116S108-A112 VanDerWaalsContact O-CB 3.29Å; S108-A112 WeakPolarHBondContact O-CB 3.31Å; S108-A112 PolarHBondContact O-N 3.22Å; A112-R114 VanDerWaalsContact C-N 3.29Å; A112-R114 PolarHBondContact O-N 3.32Å; A112-R115 PolarHBondContact O-N 3.44Å; A112-I116 WeakPolarHBondContact O-CG1 3.42Å; A112-I116 PolarHBondContact O-N 2.91Å
113N64.7Low63.1Low112 Ų112115.4 Ų115.460%0.59960%0.602SS**Hα-helixtrans-62.1-35.6176.7-733.6000112.5S109 A117S109-N113 WeakPolarHBondContact O-CB 3.49Å; S109-N113 PolarHBondContact O-N 3.32Å; N113-A117 WeakPolarHBondContact O-CB 3.5Å; N113-A117 PolarHBondContact O-N 3.48Å; N113-A117 VanDerWaalsContact O-N 3.09Å
114R70.9Confident61.9Low201 Ų201122.8 Ų122.876%0.75862%0.619SS**Hα-helixtrans-66.8-36.1173.8-171.4-179.9-67.3-147.3-2.1112.1R110 I111 A112 N118R110-R114 WeakPolarHBondContact O-CB 3.42Å; R110-R114 PolarHBondContact O-N 2.8Å; R110-R114 VanDerWaalsContact O-N 3.14Å; I111-R114 PolarHBondContact O-N 2.88Å; A112-R114 VanDerWaalsContact C-N 3.29Å; A112-R114 PolarHBondContact O-N 3.32Å; R114-N118 VanDerWaalsContact O-CB 3.3Å; R114-N118 WeakPolarHBondContact O-CB 3.37Å; R114-N118 PolarHBondContact O-N 2.86Å
115R68.9Low61.2Low187 Ų187119.5 Ų119.571%0.70661%0.613SS**Hα-helixtrans-68.8-42.4176.5-72.3177.5-172.1-174.63111.8I111 A112 N118 S119I111-R115 WeakPolarHBondContact O-CG 3.37Å; I111-R115 PolarHBondContact O-N 2.81Å; A112-R115 PolarHBondContact O-N 3.44Å; R115-N118 PolarHBondContact O-N 3.23Å; R115-S119 PolarHBondContact O-N 2.82Å; R115-S119 PolarHBondContact O-OG 3.26Å
116I62.7Low60.6Low102 Ų102127.7 Ų127.752%0.52365%0.645SS.*Hα-helixtrans-65.5-42.1179.3-62.8163.4000111.5A112 N118 S119A112-I116 WeakPolarHBondContact O-CG1 3.42Å; A112-I116 PolarHBondContact O-N 2.91Å; I116-N118 VanDerWaalsContact C-N 3.33Å; I116-N118 PolarHBondContact O-N 3.02Å; I116-S119 PolarHBondContact O-OG 3.39Å
117A58.2Low59.4Low73 Ų73123.2 Ų123.260%0.60365%0.646SS**Hα-helixtrans-68.9-29.817700000113.1N113N113-A117 WeakPolarHBondContact O-CB 3.5Å; N113-A117 PolarHBondContact O-N 3.48Å; N113-A117 VanDerWaalsContact O-N 3.09Å
118N61.6Low59.1Low127 Ų127126.6 Ų126.668%0.67966%0.664SS**Hα-helixtrans-86.2-21.9-178.3-149.663.3000113.1R114 R115 I116R114-N118 VanDerWaalsContact O-CB 3.3Å; R114-N118 WeakPolarHBondContact O-CB 3.37Å; R114-N118 PolarHBondContact O-N 2.86Å; R115-N118 PolarHBondContact O-N 3.23Å; I116-N118 VanDerWaalsContact C-N 3.33Å; I116-N118 PolarHBondContact O-N 3.02Å
119S59.9Low58.2Low64 Ų64129.9 Ų129.945%0.44867%0.669SS.*Hα-helixtrans-77.9-25.4173.8570000113.5R115 I116 N121R115-S119 PolarHBondContact O-N 2.82Å; R115-S119 PolarHBondContact O-OG 3.26Å; I116-S119 PolarHBondContact O-OG 3.39Å; S119-N121 PolarHBondContact O-N 3.03Å
120N59.5Low57.2Low132 Ų132134.4 Ų134.471%0.70668%0.683SS**THydrogen-bonded Turntrans-74.2-7.6179-89.211.8000114.6
121N57Low56.5Low131 Ų131132.3 Ų132.370%0.70169%0.685SS**THydrogen-bonded Turntrans-98.41.6-177-160.625.9000114.4S119S119-N121 PolarHBondContact O-N 3.03Å
122M56Low55.7Low161 Ų161137 Ų13779%0.79371%0.71SS**SBendtrans-106.9-3.1177.9-79.1-70134.400113.9
123N55.4Low55.3Low135 Ų135140.9 Ų140.972%0.72273%0.725SS**  trans-126.943.9-165.4-58.440.4000112.7
124K48.9Very low54.7Low210 Ų210142.6 Ų142.691%0.91374%0.735SS**  trans-121.669.8171.3-148.4169.4-172.6171.70111
125S50.9Low53.9Low102 Ų102141.2 Ų141.271%0.71374%0.74SS**SBendtrans-124.6118157.947.80000107.3
126E49.8Very low53.3Low194 Ų194138.5 Ų138.591%0.90774%0.74SS**  trans48.2104.4159.2-66.9-176.2137.300118.7
127S41.2Very low52.9Low115 Ų115141.7 Ų141.780%0.80476%0.758SS**  -163.2114.5125.2640000109.3
128D51.9Low52.6Low160 Ų160144.3 Ų144.386%0.85676%0.762SS**  trans-48.2141.6153.4-67.9-46.5000109.4
129Q46.7Very low52Low162 Ų162145.6 Ų145.676%0.75777%0.769SS**  168.5106.5129.4-162.6148.613.500111.5
130E42Very low52Low165 Ų165153 Ų15377%0.77179%0.787SS**  trans64.2123.5142-64.8170.1-13600121.9
131D52.1Low51.4Low134 Ų134152.5 Ų152.572%0.71779%0.794SS**  trans-40.1134.3157.3-65.5-42000113.6
132N49.6Very low50.2Low168 Ų168157.2 Ų157.290%0.89880%0.803SS**  trans-15095.2140.6-112.4-89.5000107.5
133D53.6Low49.2Very low123 Ų123152.2 Ų152.266%0.65879%0.793SS**  trans-68.5144.5175-64.1-42.1000111.8
134D51.2Low48.3Very low149 Ų149151.6 Ų151.680%0.79780%0.799SS**  trans52.689.4137.2-60.3-18.9000118.9
135I55.1Low47.8Very low171 Ų171150.3 Ų150.388%0.87780%0.796SS**SBendtrans-129.3117.5140-97.8129000108.7
136N57Low47.5Very low131 Ų131155.3 Ų155.370%0.70181%0.805SS**  trans84.373.8155.5-167.474.4000117.4
137D53.3Low47.1Very low168 Ų168155.9 Ų155.990%0.89881%0.805SS**  trans-13088.7142.8-75.7-33.1000108.9D139D137-D139 PolarHBondContact O-N 3.46Å; D137-D139 VanDerWaalsContact O-N 3.11Å
138N51.2Low47.1Very low128 Ų128154.6 Ų154.668%0.68480%0.801SS**  trans-69.492.4177.3176.689.9000110.3
139D50.1Low46.7Very low154 Ų154157 Ų15782%0.82480%0.804SS**  trans-97.4113.1171.5-146.42.1000111.1D137 S141D137-D139 PolarHBondContact O-N 3.46Å; D137-D139 VanDerWaalsContact O-N 3.11Å; D139-S141 PolarHBondContact O-N 3.37Å
140W60.1Low46.6Very low221 Ų221157.4 Ų157.484%0.83780%0.803SS**  trans-64.8118.1175.3-88.2-10.4000110.8
141S46.4Very low46.6Very low120 Ų120159.6 Ų159.684%0.83980%0.804SS**  trans-131.484.8153.3-71.40000109.3D139 G143D139-S141 PolarHBondContact O-N 3.37Å; S141-G143 PolarHBondContact O-N 2.93Å
142Y31.2Very low45.8Very low231 Ų231161.6 Ų161.691%0.90681%0.807SS**  trans-65121.1166.9178.5-99000110.1
143G34.4Very low45.1Very low55 Ų55158.2 Ų158.257%0.56780%0.796SS**  trans75.395.9146.700000118.2S141S141-G143 PolarHBondContact O-N 2.93Å
144S37.6Very low44.2Very low122 Ų122158.7 Ų158.785%0.85380%0.798SS**  -174.186.8119.4330000110.8K146S144-K146 PolarHBondContact O-N 3.03Å
145E37.6Very low43.5Very low184 Ų184160.3 Ų160.386%0.8680%0.798SS**  trans-61.9118.3162.1-48167.1-140.200109.5
146K44.6Very low42.6Very low207 Ų207160.4 Ų160.490%0.980%0.8SS**  trans-144.3113.4143.6-62-168.3-174.4175.20110.1S144S144-K146 PolarHBondContact O-N 3.03Å
147K42.5Very low41.7Very low206 Ų206163.3 Ų163.390%0.89680%0.801SS**  trans-61148.8178.4-70.5171.6169.7165.20113.2
148A41.9Very low40.7Very low88 Ų88164.8 Ų164.873%0.72780%0.796SS**  128.5109.7117.700000114.3
149K43.3Very low40.2Very low210 Ų210166 Ų16691%0.91380%0.802SS**  176.9144.787.7-89.9-178.8-177.6171.70110.3
150K43.9Very low40.1Very low171 Ų171164.3 Ų164.374%0.74380%0.799SS**  trans-89.8154.7-168.7-164.8-171.5174.2160.30110.7
151R42.1Very low39Very low210 Ų210161.9 Ų161.979%0.79279%0.794SS**  trans96.7106.8152.9-52.6-165.7-174-135.12.6117.1
152K34.9Very low38.7Very low177 Ų177164.1 Ų164.177%0.7779%0.792SS**  -163.7106.398.2-171.378.8179.5176.90108.9D154K152-D154 WeakPolarHBondContact CE-OD2 3.44Å; K152-D154 IonicContact NZ-OD2 3.22Å
153S34.9Very low39.2Very low97 Ų97159.7 Ų159.768%0.67878%0.784SS**  trans-78.2132.315461.10000107.1
154D34.7Very low39.5Very low132 Ų132161.8 Ų161.871%0.70679%0.787SS**  trans-149.3138133.1-85.4-40.8000108.3K152K152-D154 WeakPolarHBondContact CE-OD2 3.44Å; K152-D154 IonicContact NZ-OD2 3.22Å
155K36.1Very low38.9Very low183 Ų183163.1 Ų163.180%0.79679%0.785SS**  trans-77.5130.2-156-65.1164.5179.6170.80111.2
156L36.6Very low38.7Very low174 Ų174159.3 Ų159.391%0.91178%0.778SS**  trans-61.4124.1151.2-86.4158.9000108.7
157W37.4Very low39.2Very low192 Ų192154.5 Ų154.573%0.72777%0.768SS**  trans-114.7129160.2-103.9112000107.7
158Y32.6Very low38.8Very low198 Ų198155.7 Ų155.778%0.77677%0.767SS**  trans86.898.4169.8-63.7-80.7000119.2
159L40.5Very low38.5Very low155 Ų155162.1 Ų162.181%0.81277%0.772SS**  trans-57.2174.6153.3-76.2178.3000112.2
160P49Very low38Very low117 Ų117158 Ų15876%0.7677%0.77SS**  cis-143.6161.523.636.7-14.2000119.5
161F37.2Very low37.7Very low171 Ų171159.5 Ų159.575%0.7578%0.777SS**  trans-39.4136.6150.7-108-108.4000112.8
162Q40.2Very low37.2Very low167 Ų167154.5 Ų154.578%0.7877%0.774SS**  -171.8125.5108.1-129.784.759.300111
163N41.3Very low37.2Very low138 Ų138154.2 Ų154.274%0.73878%0.78SS**  trans-73.2140.2151.9177.79.8000108.5
164P40.1Very low37.3Very low98 Ų98157.8 Ų157.864%0.63678%0.783SS**  -141156.6129.335.1-19.8000114.7
165N25.6Very low37.3Very low151 Ų151159 Ų15981%0.80778%0.784SS**  trans95108.6152.3-72.45.3000121.2
166S33.3Very low37.1Very low103 Ų103159.4 Ų159.472%0.7279%0.786SS**  trans-66.9172.9131.5-177.30000110.1
167P54.3Low36.6Very low106 Ų106159.3 Ų159.369%0.68879%0.786SS**  cis-128.5146.7-39.330.2-13000112.1
168R34Very low36.2Very low231 Ų231153.9 Ų153.987%0.87279%0.79SS**  trans166130.8141.6-101.4170.7177.6-138.8-0.8113.4
169R35.5Very low35.9Very low224 Ų224153.6 Ų153.685%0.84580%0.795SS**  63104.7129.8-157.5-175.4-158.7-154.65.5117
170S34.6Very low35.6Very low123 Ų123154.5 Ų154.586%0.8680%0.8SS**  -177.1152.7113.640.20000112.5
171K36Very low34.8Very low203 Ų203154.5 Ų154.588%0.88380%0.803SS**  trans-73.9164.9-174.5-71.2174.9168.8176.90112.5
172S33Very low34.3Very low105 Ų105154 Ų15473%0.73481%0.808SS**  trans97.2112.9138.3-162.20000116.2
173L35.3Very low33.9Very low171 Ų171150.4 Ų150.490%0.89580%0.801SS**  -17616696.8-141.570.3000109.4
174K36.2Very low33.4Very low171 Ų171151 Ų15174%0.74381%0.805SS**  trans-111.3166.1-159.3-147167.8-175.5-178.40110.6
175H33.9Very low33.5Very low159 Ų159151.1 Ų151.174%0.73681%0.805SS**  trans91140.3168.6-52.4-70.3000115.7
176K32.2Very low33.7Very low191 Ų191153.4 Ų153.483%0.8381%0.809SS**  cis-163.5157.97.9-122.9168.9-179.2-176.90108.8
177N27.1Very low33.7Very low172 Ų172158.9 Ų158.992%0.9282%0.819SS**  trans-19.3143.7175.6-7614.3000120.8
178G27.4Very low32.6Very low77 Ų77164.2 Ų164.279%0.79483%0.827SS**  trans-177.1106.7153.100000110.1
179E28.2Very low32.5Very low192 Ų192158.7 Ų158.790%0.89782%0.824SS**  trans-68.3147178.6-59-150.5144.800112.2
180L34.1Very low32.4Very low174 Ų174155.4 Ų155.491%0.91182%0.823SS**  trans-177.3129.3131.5-94165.9000109.9
181S31.2Very low32.8Very low117 Ų117152.5 Ų152.582%0.81880%0.803SS**  trans-51.1138.8173.7-64.70000114.1
182N27.6Very low33.4Very low161 Ų161149.2 Ų149.286%0.86180%0.8SS**  trans-162.1120.7130.6-131-25.1000111.4
183S31.4Very low34.5Very low91 Ų91145.9 Ų145.964%0.63678%0.782SS**  trans-75.8134.2167.644.70000109.9
184D31.4Very low35.9Very low152 Ų152140.4 Ų140.481%0.81375%0.753SS**  174.8157.2121.6-90.2-18000115.4
185P40.9Very low37.4Very low100 Ų100135 Ų13565%0.64974%0.737SS**  trans-104.1160.7-154.96.118.3000113.8
186F30.5Very low39.1Very low199 Ų199129.9 Ų129.987%0.87371%0.711SS**  trans36.697.5149.8-67.8-79.9000118.6Y188F186-Y188 PolarHBondContact O-N 3.17Å; F186-Y188 VanDerWaalsContact O-N 3.15Å
187K32.2Very low40.9Very low218 Ų218127.4 Ų127.495%0.94870%0.703SS**  trans-66104.8160.3-74.2-175.3176.5-178.60110.7
188Y30.9Very low42.9Very low218 Ų218124.9 Ų124.986%0.85569%0.694SS**  trans-90.7136150.6-102.2-91.1000109.3F186 N190F186-Y188 PolarHBondContact O-N 3.17Å; F186-Y188 VanDerWaalsContact O-N 3.15Å; Y188-N190 PolarHBondContact O-N 3.37Å
189S33.6Very low44.9Very low114 Ų114123.8 Ų123.880%0.79767%0.67SS**  trans-51.4116.2178.3-170.80000111.7S191S189-S191 PolarHBondContact O-N 3.23Å
190N32.4Very low47.2Very low156 Ų156116 Ų11683%0.83464%0.641SS**  trans-84.7111.2177-15411.9000108.5Y188 T192Y188-N190 PolarHBondContact O-N 3.37Å; N190-T192 PolarHBondContact O-N 3.14Å
191S42.5Very low49.2Very low61 Ų61112.3 Ų112.343%0.42763%0.627SS.*  trans-64124.317143.20000110.1S189 G193S189-S191 PolarHBondContact O-N 3.23Å; S191-G193 PolarHBondContact O-N 3.27Å; S191-G193 VanDerWaalsContact O-N 3.13Å
192T48.3Very low51.4Low134 Ų134112.9 Ų112.982%0.82262%0.617SS**  trans-52.4114.516027.20000108.6N190N190-T192 PolarHBondContact O-N 3.14Å
193G56.9Low53.9Low35 Ų35110.4 Ų110.436%0.36160%0.6SS.*PPolyproline II helixtrans-66.5132.2179.500000110.5S191S191-G193 PolarHBondContact O-N 3.27Å; S191-G193 VanDerWaalsContact O-N 3.13Å
194I64.8Low56.3Low57 Ų57106.7 Ų106.729%0.29257%0.573SS.*PPolyproline II helixtrans-78125.6175.2-57.8177.7000107.7L199 L207 M222 T224I194-L199 HydrophobicContact CG2-CD1 3.64Å; I194-L207 HydrophobicContact CG2-CD2 4.44Å; I194-M222 HydrophobicContact CB-CG 4.31Å; I194-M222 HydrophobicContact CB-SD 4.33Å; I194-M222 HydrophobicContact CG2-SD 4.16Å; I194-T224 HydrophobicContact CB-CG2 4.42Å; I194-T224 HydrophobicContact CD1-CG2 3.61Å; I194-T224 HydrophobicContact CG1-CG2 3.87Å
195S68.9Low58.7Low58 Ų58105 Ų10541%0.40656%0.555SS.*PPolyproline II helixtrans-84.5121.2173.3-173.70000109.1E197S195-E197 VanDerWaalsContact C-N 3.3Å; S195-E197 PolarHBondContact O-N 3.2Å
196Y67.9Low60.8Low50 Ų50104 Ų10420%0.19655%0.551CS.*G310 helixtrans-75.1-19.9-177.567.4-90.1000112.5T198 I215 K220 F244Y196-T198 PolarHBondContact O-N 2.11Å; Y196-I215 HydrophobicContact CD1-CD1 4.11Å; Y196-I215 HydrophobicContact CE1-CD1 4.29Å; Y196-I215 HydrophobicContact CG-CD1 4.4Å; Y196-K220 WeakPolarHBondContact CE1-O 3.36Å; Y196-F244 AromaticContact CD2-CE1 3.96Å; Y196-F244 HydrophobicContact CD2-CE1 3.96Å; Y196-F244 AromaticContact CD2-CZ 3.9Å; Y196-F244 HydrophobicContact CD2-CZ 3.9Å; Y196-F244 HydrophobicContact CE2-CE1 4.38Å; Y196-F244 HydrophobicContact CE2-CZ 4.22Å; Y196-F244 HydrophobicContact CG-CZ 4.45Å
197E71.4Confident63.3Low139 Ų13995.5 Ų95.565%0.6552%0.515SS*.G310 helixtrans-68.1-15.6178-89.4115.2-17100113.9S195S195-E197 VanDerWaalsContact C-N 3.3Å; S195-E197 PolarHBondContact O-N 3.2Å
198T68.7Low65.9Low119 Ų11985.3 Ų85.373%0.7347%0.471SS*.G310 helixtrans-102.2-8.9-175.7-31.90000113.2Y196Y196-T198 PolarHBondContact O-N 2.11Å
199L69.3Low68.5Low55 Ų5579.5 Ų79.529%0.28846%0.458SS..SBendtrans-96.5140-177.4-67.1174000111.3I194 E203 L207I194-L199 HydrophobicContact CG2-CD1 3.64Å; L199-E203 HydrophobicContact CB-CB 4.34Å; L199-E203 HydrophobicContact CD2-CB 4.32Å; L199-E203 VanDerWaalsContact CD2-OE2 3.27Å; L199-E203 WeakPolarHBondContact CD2-OE2 3.25Å; L199-L207 HydrophobicContact CD1-CD2 3.81Å
200G76.7Confident71Confident29 Ų2978.2 Ų78.230%0.29945%0.445SS..  trans-68.7160.1174.300000112.4E202 E203 L204G200-E202 PolarHBondContact O-N 3.35Å; G200-E203 PolarHBondContact N-OE2 3.49Å; G200-E203 PolarHBondContact O-N 3.46Å; G200-E203 VanDerWaalsContact O-N 3.1Å; G200-L204 PolarHBondContact O-N 2.93Å
201P76Confident73.7Confident95 Ų9573 Ų7362%0.61742%0.416SS*.Hα-helixtrans-59.1-33.1179.722.1-32.1000113R205P201-R205 VanDerWaalsContact O-CG 3.31Å; P201-R205 WeakPolarHBondContact O-CG 3.47Å; P201-R205 PolarHBondContact O-N 3.01Å; P201-R205 VanDerWaalsContact O-N 3.11Å
202E77.6Confident75.9Confident129 Ų12970.2 Ų70.260%0.60340%0.396SS*.Hα-helixtrans-69.8-40175-79.6-75.8116.300112.9G200 L204 R205 S206G200-E202 PolarHBondContact O-N 3.35Å; E202-L204 VanDerWaalsContact C-N 3.33Å; E202-R205 WeakPolarHBondContact O-CB 3.49Å; E202-R205 PolarHBondContact O-N 3.48Å; E202-R205 IonicContact OE1-CZ 3.85Å; E202-R205 IonicContact OE1-NH1 2.62Å; E202-R205 PolarHBondContact OE1-NH1 2.79Å; E202-S206 PolarHBondContact O-N 2.74Å; E202-S206 VanDerWaalsContact O-N 3.16Å
203E80.3Confident77.8Confident110 Ų11063.8 Ų63.851%0.51436%0.357SS..Hα-helixtrans-69.1-37.2177.7-63.6179.6152.900110.9L199 G200 S206 L207L199-E203 HydrophobicContact CB-CB 4.34Å; L199-E203 HydrophobicContact CD2-CB 4.32Å; L199-E203 VanDerWaalsContact CD2-OE2 3.27Å; L199-E203 WeakPolarHBondContact CD2-OE2 3.25Å; G200-E203 PolarHBondContact N-OE2 3.49Å; G200-E203 PolarHBondContact O-N 3.46Å; G200-E203 VanDerWaalsContact O-N 3.1Å; E203-S206 PolarHBondContact O-N 3.41Å; E203-L207 WeakPolarHBondContact O-CB 3.27Å; E203-L207 PolarHBondContact O-N 2.95Å
204L81.8Confident79.4Confident12 Ų1262.8 Ų62.86%0.06334%0.343CS..Hα-helixtrans-65.7-37.5175.4-166.262.5000111.7G200 E202 L207 L208 M222 F244G200-L204 PolarHBondContact O-N 2.93Å; E202-L204 VanDerWaalsContact C-N 3.33Å; L204-L207 PolarHBondContact O-N 3.05Å; L204-L208 HydrophobicContact CD1-CD1 4.49Å; L204-L208 HydrophobicContact CD1-CG 4.45Å; L204-L208 HydrophobicContact CG-CD1 4.05Å; L204-L208 HydrophobicContact CG-CG 4.41Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 WeakPolarHBondContact O-CG 3.43Å; L204-L208 PolarHBondContact O-N 3.07Å; L204-M222 HydrophobicContact CD1-CE 4.22Å; L204-F244 HydrophobicContact CD2-CB 3.62Å; L204-F244 HydrophobicContact CD2-CD1 3.51Å; L204-F244 HydrophobicContact CD2-CD2 4.27Å; L204-F244 HydrophobicContact CD2-CE1 4.22Å; L204-F244 HydrophobicContact CD2-CG 3.54Å
205R81.6Confident80.5Confident116 Ų11662.4 Ų62.444%0.43834%0.342SS..Hα-helixtrans-58.7-50.5171.7-75.7173.3177.1170-4.3112.1P201 E202 L207 L208 T209 L245P201-R205 VanDerWaalsContact O-CG 3.31Å; P201-R205 WeakPolarHBondContact O-CG 3.47Å; P201-R205 PolarHBondContact O-N 3.01Å; P201-R205 VanDerWaalsContact O-N 3.11Å; E202-R205 WeakPolarHBondContact O-CB 3.49Å; E202-R205 PolarHBondContact O-N 3.48Å; E202-R205 IonicContact OE1-CZ 3.85Å; E202-R205 IonicContact OE1-NH1 2.62Å; E202-R205 PolarHBondContact OE1-NH1 2.79Å; R205-L207 VanDerWaalsContact C-N 3.28Å; R205-L207 PolarHBondContact O-N 2.87Å; R205-L208 PolarHBondContact O-N 3.21Å; R205-T209 PolarHBondContact O-N 3.47Å; R205-T209 VanDerWaalsContact O-N 3.13Å; R205-T209 PolarHBondContact O-OG1 3.12Å; R205-L245 HydrophobicContact CB-CD2 4.27Å; R205-L245 HydrophobicContact CG-CD1 3.88Å; R205-L245 HydrophobicContact CG-CD2 3.18Å; R205-L245 HydrophobicContact CG-CG 4.09Å
206S83.7Confident81.2Confident81 Ų8161.7 Ų61.757%0.56634%0.337SS*.Hα-helixtrans-60.1-41.8178.9-176.60000111.4E202 E203 T209 T210E202-S206 PolarHBondContact O-N 2.74Å; E202-S206 VanDerWaalsContact O-N 3.16Å; E203-S206 PolarHBondContact O-N 3.41Å; S206-T209 PolarHBondContact O-N 3.22Å; S206-T210 PolarHBondContact O-OG1 3.24Å
207L84.7Confident81.8Confident20 Ų2067.5 Ų67.511%0.10537%0.366CS..Hα-helixtrans-65.4-47.4179.2-169.661.7000112.5I194 L199 E203 L204 R205 T209 T210 Q211 M222I194-L207 HydrophobicContact CG2-CD2 4.44Å; L199-L207 HydrophobicContact CD1-CD2 3.81Å; E203-L207 WeakPolarHBondContact O-CB 3.27Å; E203-L207 PolarHBondContact O-N 2.95Å; L204-L207 PolarHBondContact O-N 3.05Å; R205-L207 VanDerWaalsContact C-N 3.28Å; R205-L207 PolarHBondContact O-N 2.87Å; L207-T209 PolarHBondContact O-N 2.96Å; L207-T210 PolarHBondContact O-N 3.12Å; L207-T210 PolarHBondContact O-OG1 3.25Å; L207-Q211 HydrophobicContact CD1-CB 4.35Å; L207-Q211 HydrophobicContact CD1-CG 4.04Å; L207-Q211 WeakPolarHBondContact O-CB 3.37Å; L207-Q211 PolarHBondContact O-N 3.16Å; L207-M222 HydrophobicContact CD2-CE 3.33Å; L207-M222 HydrophobicContact CD2-SD 3.36Å; L207-M222 WeakPolarHBondContact CD2-SD 3.22Å; L207-M222 HydrophobicContact CG-CE 3.78Å; L207-M222 HydrophobicContact CG-SD 4.4Å
208L86.3Confident81.8Confident4 Ų469.3 Ų69.32%0.02137%0.374CS..Hα-helixtrans-70.5-14.9179.9-66.8176.1000113.7L204 R205 G213 M222 V240 R241 L245L204-L208 HydrophobicContact CD1-CD1 4.49Å; L204-L208 HydrophobicContact CD1-CG 4.45Å; L204-L208 HydrophobicContact CG-CD1 4.05Å; L204-L208 HydrophobicContact CG-CG 4.41Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 WeakPolarHBondContact O-CG 3.43Å; L204-L208 PolarHBondContact O-N 3.07Å; R205-L208 PolarHBondContact O-N 3.21Å; L208-G213 VanDerWaalsContact CD2-CA 3.49Å; L208-M222 HydrophobicContact CD2-CE 4.14Å; L208-V240 HydrophobicContact CD2-CG1 4.17Å; L208-R241 HydrophobicContact CB-CG 4.1Å; L208-R241 HydrophobicContact CD1-CG 4.13Å; L208-R241 PolarHBondContact O-NE 3.1Å; L208-R241 VanDerWaalsContact O-NE 3.09Å; L208-R241 PolarHBondContact O-NH2 3.22Å; L208-L245 HydrophobicContact CD1-CD1 4.23Å; L208-L245 HydrophobicContact CD1-CG 4.32Å
209T85.4Confident82.3Confident95 Ų9567.4 Ų67.458%0.58336%0.362SS*.Hα-helixtrans-77.5-28.3173.8-57.30000111.9R205 S206 L207 L227R205-T209 PolarHBondContact O-N 3.47Å; R205-T209 VanDerWaalsContact O-N 3.13Å; R205-T209 PolarHBondContact O-OG1 3.12Å; S206-T209 PolarHBondContact O-N 3.22Å; L207-T209 PolarHBondContact O-N 2.96Å; T209-L227 VanDerWaalsContact O-CD1 3.28Å; T209-L227 WeakPolarHBondContact O-CD1 3.39Å
210T85.6Confident82.6Confident87 Ų8771.7 Ų71.753%0.53438%0.378SS..Hα-helixtrans-114.4-21.3-174.258.60000113.6S206 L207S206-T210 PolarHBondContact O-OG1 3.24Å; L207-T210 PolarHBondContact O-N 3.12Å; L207-T210 PolarHBondContact O-OG1 3.25Å
211Q88.6Confident82.9Confident48 Ų4875.9 Ų75.922%0.22439%0.388CS..BIsolated β-bridgetrans-123.4159.3-173.6-57.3-175.334.500112.7L207 G213 T224 R225 L227L207-Q211 HydrophobicContact CD1-CB 4.35Å; L207-Q211 HydrophobicContact CD1-CG 4.04Å; L207-Q211 WeakPolarHBondContact O-CB 3.37Å; L207-Q211 PolarHBondContact O-N 3.16Å; Q211-G213 VanDerWaalsContact C-N 3.32Å; Q211-G213 PolarHBondContact O-N 2.83Å; Q211-T224 VanDerWaalsContact OE1-CA 3.27Å; Q211-T224 PolarHBondContact OE1-O 3.5Å; Q211-R225 CarbonylContact C-O 3.49Å; Q211-R225 WeakPolarHBondContact CA-O 3.2Å; Q211-L227 WeakPolarHBondContact O-CD2 3.14Å
212C90.4Very high83.3Confident1 Ų171.8 Ų71.81%0.00736%0.361CS..  trans-59.7-41.9-172.3-169.80000111.1V214 C223 R225 S226 C229 H232 R237C212-V214 PolarHBondContact O-N 3.48Å; C212-C223 HydrophobicContact CB-CB 3.9Å; C212-R225 HydrophobicContact CB-CB 4.42Å; C212-R225 VanDerWaalsContact CB-O 3.23Å; C212-R225 WeakPolarHBondContact CB-O 3.36Å; C212-R225 PolarHBondContact N-O 3.48Å; C212-S226 WeakPolarHBondContact CB-O 3.47Å; C212-C229 HydrophobicContact CB-CB 3.81Å; C212-C229 WeakPolarHBondContact CB-SG 3.42Å; C212-C229 WeakPolarHBondContact SG-CB 3.23Å; C212-C229 CovalentContact SG-SG 2.11Å; C212-C229 PolarHBondContact SG-SG 3.13Å; C212-H232 PolarHBondContact SG-ND1 3.21Å; C212-R237 PolarHBondContact SG-NH1 3.39Å; C212-R237 PolarHBondContact SG-NH2 2.96Å
213G87.3Confident83.8Confident0 Ų066.6 Ų66.60%034%0.339CS..  trans72.8-18.9168.300000115.7L208 Q211 I215 C223L208-G213 VanDerWaalsContact CD2-CA 3.49Å; Q211-G213 VanDerWaalsContact C-N 3.32Å; Q211-G213 PolarHBondContact O-N 2.83Å; G213-I215 PolarHBondContact O-N 3Å; G213-C223 PolarHBondContact N-O 2.82Å
214V90.1Very high84Confident13 Ų1363.4 Ų63.48%0.07933%0.327CS..PPolyproline II helixtrans-58.3124.2-178.8-177.90000110.5C212 C223 H232 Q236 R237C212-V214 PolarHBondContact O-N 3.48Å; V214-C223 WeakPolarHBondContact O-CB 3.21Å; V214-C223 PolarHBondContact O-N 2.68Å; V214-H232 HydrophobicContact CB-CB 4.14Å; V214-H232 HydrophobicContact CG1-CB 4.32Å; V214-H232 HydrophobicContact CG2-CB 3.72Å; V214-Q236 HydrophobicContact CG1-CB 4.26Å; V214-Q236 HydrophobicContact CG2-CB 4.05Å; V214-R237 HydrophobicContact CG2-CB 4.46Å; V214-R237 HydrophobicContact CG2-CG 3.73Å
215I88.5Confident84.2Confident49 Ų4970.1 Ų70.125%0.25135%0.351SS..BIsolated β-bridgetrans-85.4120.2-178.6-57.7179.4000108.2Y196 G213 E217 M222 F244Y196-I215 HydrophobicContact CD1-CD1 4.11Å; Y196-I215 HydrophobicContact CE1-CD1 4.29Å; Y196-I215 HydrophobicContact CG-CD1 4.4Å; G213-I215 PolarHBondContact O-N 3Å; I215-E217 PolarHBondContact O-N 3.26Å; I215-M222 HydrophobicContact CG1-CB 4.26Å; I215-F244 HydrophobicContact CD1-CE2 3.49Å; I215-F244 VanDerWaalsContact CD1-CE2 3.49Å; I215-F244 HydrophobicContact CD1-CZ 3.66Å
216S83.9Confident84.5Confident44 Ų4468 Ų6831%0.30835%0.354SS..PPolyproline II helixtrans-72.1124.9174.9169.40000109.8H218 T219 K220 K221S216-H218 VanDerWaalsContact C-N 3.31Å; S216-H218 PolarHBondContact O-N 3.47Å; S216-T219 VanDerWaalsContact CB-OG1 3.27Å; S216-T219 WeakPolarHBondContact CB-OG1 3.28Å; S216-T219 PolarHBondContact O-N 2.84Å; S216-T219 PolarHBondContact OG-OG1 2.85Å; S216-K220 WeakPolarHBondContact O-CA 3.28Å; S216-K220 PolarHBondContact O-N 3.29Å; S216-K221 PolarHBondContact N-O 3.2Å
217E80.9Confident84.6Confident171 Ų17167.1 Ų67.180%0.79934%0.343SS*.THydrogen-bonded Turntrans-56.7-41.9-178.4-172.2173.4-177.400112.8I215 T219I215-E217 PolarHBondContact O-N 3.26Å; E217-T219 PolarHBondContact O-N 2.84Å
218H71.6Confident84.6Confident178 Ų17876 Ų7682%0.82438%0.375SS*.THydrogen-bonded Turntrans-75.8-23.8-176.9-65.7-65.7000114.5S216S216-H218 VanDerWaalsContact C-N 3.31Å; S216-H218 PolarHBondContact O-N 3.47Å
219T77.9Confident84.7Confident78 Ų7876 Ų7648%0.47938%0.376SS..THydrogen-bonded Turntrans-116.5-10.3-173.461.60000113.5S216 E217 K221S216-T219 VanDerWaalsContact CB-OG1 3.27Å; S216-T219 WeakPolarHBondContact CB-OG1 3.28Å; S216-T219 PolarHBondContact O-N 2.84Å; S216-T219 PolarHBondContact OG-OG1 2.85Å; E217-T219 PolarHBondContact O-N 2.84Å; T219-K221 WeakPolarHBondContact O-CG 3.24Å; T219-K221 PolarHBondContact O-N 3.5Å
220K76.4Confident84.5Confident146 Ų14678.1 Ų78.164%0.63539%0.391SS*.  trans49.917.3-170.7-61.7-172.2177.1-173.20114Y196 S216Y196-K220 WeakPolarHBondContact CE1-O 3.36Å; S216-K220 WeakPolarHBondContact O-CA 3.28Å; S216-K220 PolarHBondContact O-N 3.29Å
221K81.9Confident84.4Confident116 Ų11681.4 Ų81.450%0.50440%0.4SS..PPolyproline II helixtrans-95.4137.5179.1-73.9171.4-178.4178.20109S216 T219S216-K221 PolarHBondContact N-O 3.2Å; T219-K221 WeakPolarHBondContact O-CG 3.24Å; T219-K221 PolarHBondContact O-N 3.5Å
222M84.9Confident84.3Confident10 Ų1080.7 Ų80.75%0.04940%0.397CS..BIsolated β-bridgetrans-77142.8173.272-175.5-57.700111.2I194 L204 L207 L208 I215 T224I194-M222 HydrophobicContact CB-CG 4.31Å; I194-M222 HydrophobicContact CB-SD 4.33Å; I194-M222 HydrophobicContact CG2-SD 4.16Å; L204-M222 HydrophobicContact CD1-CE 4.22Å; L207-M222 HydrophobicContact CD2-CE 3.33Å; L207-M222 HydrophobicContact CD2-SD 3.36Å; L207-M222 WeakPolarHBondContact CD2-SD 3.22Å; L207-M222 HydrophobicContact CG-CE 3.78Å; L207-M222 HydrophobicContact CG-SD 4.4Å; L208-M222 HydrophobicContact CD2-CE 4.14Å; I215-M222 HydrophobicContact CG1-CB 4.26Å; M222-T224 PolarHBondContact O-N 3.37Å
223C87.5Confident84.2Confident19 Ų1984.5 Ų84.513%0.12842%0.42CS..PPolyproline II helixtrans-71.7116.5175.9-173.10000110.8C212 G213 V214 R225C212-C223 HydrophobicContact CB-CB 3.9Å; G213-C223 PolarHBondContact N-O 2.82Å; V214-C223 WeakPolarHBondContact O-CB 3.21Å; V214-C223 PolarHBondContact O-N 2.68Å; C223-R225 VanDerWaalsContact C-N 3.3Å; C223-R225 PolarHBondContact O-N 3.09Å
224T85.4Confident84.2Confident44 Ų4488.5 Ų88.527%0.2744%0.442SS..  trans-88.97.3178.657.90000113.6I194 Q211 M222I194-T224 HydrophobicContact CB-CG2 4.42Å; I194-T224 HydrophobicContact CD1-CG2 3.61Å; I194-T224 HydrophobicContact CG1-CG2 3.87Å; Q211-T224 VanDerWaalsContact OE1-CA 3.27Å; Q211-T224 PolarHBondContact OE1-O 3.5Å; M222-T224 PolarHBondContact O-N 3.37Å
225R85.7Confident84.1Confident152 Ų15293 Ų9357%0.57446%0.462SS*.SBendtrans-71.4164.9174.5-59.6-67.4165.1174.2-6.2109.9Q211 C212 C223 C229Q211-R225 CarbonylContact C-O 3.49Å; Q211-R225 WeakPolarHBondContact CA-O 3.2Å; C212-R225 HydrophobicContact CB-CB 4.42Å; C212-R225 VanDerWaalsContact CB-O 3.23Å; C212-R225 WeakPolarHBondContact CB-O 3.36Å; C212-R225 PolarHBondContact N-O 3.48Å; C223-R225 VanDerWaalsContact C-N 3.3Å; C223-R225 PolarHBondContact O-N 3.09Å; R225-C229 HydrophobicContact CB-CB 3.61Å
226S88Confident84Confident71 Ų7194.7 Ų94.750%0.49747%0.469SS..BIsolated β-bridgetrans-66.4172.7-179.263.90000113.1C212 R228 C229 R237C212-S226 WeakPolarHBondContact CB-O 3.47Å; S226-R228 PolarHBondContact O-N 3.15Å; S226-R228 PolarHBondContact OG-N 3.11Å; S226-C229 VanDerWaalsContact O-CB 3.3Å; S226-C229 WeakPolarHBondContact O-CB 3.31Å; S226-C229 PolarHBondContact O-N 3.4Å; S226-R237 PolarHBondContact O-NH1 3.4Å
227L85.6Confident84.2Confident64 Ų6492.9 Ų92.934%0.33546%0.455SS..THydrogen-bonded Turntrans-56.8-15.6172-66.9-171.2000114.9T209 Q211 R237T209-L227 VanDerWaalsContact O-CD1 3.28Å; T209-L227 WeakPolarHBondContact O-CD1 3.39Å; Q211-L227 WeakPolarHBondContact O-CD2 3.14Å; L227-R237 PolarHBondContact O-NE 3.21Å; L227-R237 PolarHBondContact O-NH1 3.42Å; L227-R237 PolarHBondContact O-NH2 2.78Å
228R85.4Confident84.4Confident205 Ų20589 Ų8977%0.77443%0.433SS*.THydrogen-bonded Turntrans-98.325.2176.5-146.271.4-177.3175.40.8113.4S226 P230S226-R228 PolarHBondContact O-N 3.15Å; S226-R228 PolarHBondContact OG-N 3.11Å; R228-P230 WeakPolarHBondContact O-CD 3.36Å
229C86.7Confident85.1Confident6 Ų684 Ų844%0.04142%0.415CS..  trans-63.2114.4-177.41020000110.4C212 R225 S226 Q231 H232 R237C212-C229 HydrophobicContact CB-CB 3.81Å; C212-C229 WeakPolarHBondContact CB-SG 3.42Å; C212-C229 WeakPolarHBondContact SG-CB 3.23Å; C212-C229 CovalentContact SG-SG 2.11Å; C212-C229 PolarHBondContact SG-SG 3.13Å; R225-C229 HydrophobicContact CB-CB 3.61Å; S226-C229 VanDerWaalsContact O-CB 3.3Å; S226-C229 WeakPolarHBondContact O-CB 3.31Å; S226-C229 PolarHBondContact O-N 3.4Å; C229-Q231 PolarHBondContact O-N 2.82Å; C229-Q231 VanDerWaalsContact O-N 3.09Å; C229-H232 PolarHBondContact O-N 3.21Å; C229-H232 VanDerWaalsContact O-O 3.11Å; C229-H232 PolarHBondContact SG-ND1 3.12Å; C229-R237 PolarHBondContact O-NH2 3.23Å; C229-R237 PolarHBondContact SG-NH2 3.13Å
230P82.5Confident85.5Confident139 Ų13981.2 Ų81.290%0.90340%0.398SS*.THydrogen-bonded Turntrans-70.5-9.1-172.928.8-36000113.5R228R228-P230 WeakPolarHBondContact O-CD 3.36Å
231Q83.1Confident86Confident156 Ų15677.1 Ų77.173%0.72938%0.379SS*.THydrogen-bonded Turntrans-82-20.3-179-169.1170.9-2.200113.1C229C229-Q231 PolarHBondContact O-N 2.82Å; C229-Q231 VanDerWaalsContact O-N 3.09Å
232H85.7Confident86.2Confident32 Ų3274.9 Ų74.915%0.14837%0.371CS..SBendtrans-133139.8-178.1-52.8125.6000111.5C212 V214 C229 R237C212-H232 PolarHBondContact SG-ND1 3.21Å; V214-H232 HydrophobicContact CB-CB 4.14Å; V214-H232 HydrophobicContact CG1-CB 4.32Å; V214-H232 HydrophobicContact CG2-CB 3.72Å; C229-H232 PolarHBondContact O-N 3.21Å; C229-H232 VanDerWaalsContact O-O 3.11Å; C229-H232 PolarHBondContact SG-ND1 3.12Å; H232-R237 PolarHBondContact O-NH2 2.81Å
233T89Confident86.1Confident82 Ų8283.3 Ų83.350%0.50340%0.404SS..  trans-77.3161178.961.10000111.4E235 Q236 R237T233-E235 PolarHBondContact O-N 2.99Å; T233-Q236 PolarHBondContact O-N 3.33Å; T233-Q236 WeakPolarHBondContact OG1-CG 3.27Å; T233-Q236 PolarHBondContact OG1-N 3.28Å; T233-R237 WeakPolarHBondContact O-CG 3.36Å; T233-R237 PolarHBondContact O-N 3.13Å
234D86.8Confident85.9Confident83 Ų8385.2 Ų85.244%0.44441%0.41SS..Hα-helixtrans-65.2-29.3177.4-70.4-26.6000112R237 R238D234-R237 WeakPolarHBondContact O-CB 3.44Å; D234-R237 PolarHBondContact O-N 3.41Å; D234-R237 IonicContact OD1-NE 2.69Å; D234-R237 PolarHBondContact OD1-NE 2.85Å; D234-R238 PolarHBondContact O-N 2.66Å
235E88.4Confident85.5Confident107 Ų10784.7 Ų84.750%0.541%0.406SS..Hα-helixtrans-60.3-47.6172.8-164.460.1-11100112.2T233 R237 R238 T239T233-E235 PolarHBondContact O-N 2.99Å; E235-R237 PolarHBondContact O-N 3.13Å; E235-R238 PolarHBondContact O-N 3.33Å; E235-R238 VanDerWaalsContact O-N 3.07Å; E235-R238 IonicContact OE1-NH1 3.6Å; E235-R238 PolarHBondContact OE1-NH1 3.37Å; E235-R238 IonicContact OE2-CZ 3.95Å; E235-R238 IonicContact OE2-NH1 2.91Å; E235-R238 PolarHBondContact OE2-NH1 3.48Å; E235-T239 WeakPolarHBondContact O-CG2 3.23Å; E235-T239 PolarHBondContact O-N 3.11Å; E235-T239 PolarHBondContact O-OG1 2.92Å
236Q86.1Confident84.9Confident86 Ų8678.6 Ų78.640%0.40239%0.39SS..Hα-helixtrans-62.9-26.1177.3-70.7173.3-21.400112.6V214 T233 T239 V240V214-Q236 HydrophobicContact CG1-CB 4.26Å; V214-Q236 HydrophobicContact CG2-CB 4.05Å; T233-Q236 PolarHBondContact O-N 3.33Å; T233-Q236 WeakPolarHBondContact OG1-CG 3.27Å; T233-Q236 PolarHBondContact OG1-N 3.28Å; Q236-T239 PolarHBondContact O-OG1 3.38Å; Q236-V240 WeakPolarHBondContact O-CG2 3.47Å
237R89.3Confident83.9Confident5 Ų580.4 Ų80.42%0.01940%0.4CS..Hα-helixtrans-78.2-39.9173.8-56.9171.7-156-101.9-9.3111.1C212 V214 S226 L227 C229 H232 T233 D234 E235 V240 R241C212-R237 PolarHBondContact SG-NH1 3.39Å; C212-R237 PolarHBondContact SG-NH2 2.96Å; V214-R237 HydrophobicContact CG2-CB 4.46Å; V214-R237 HydrophobicContact CG2-CG 3.73Å; S226-R237 PolarHBondContact O-NH1 3.4Å; L227-R237 PolarHBondContact O-NE 3.21Å; L227-R237 PolarHBondContact O-NH1 3.42Å; L227-R237 PolarHBondContact O-NH2 2.78Å; C229-R237 PolarHBondContact O-NH2 3.23Å; C229-R237 PolarHBondContact SG-NH2 3.13Å; H232-R237 PolarHBondContact O-NH2 2.81Å; T233-R237 WeakPolarHBondContact O-CG 3.36Å; T233-R237 PolarHBondContact O-N 3.13Å; D234-R237 WeakPolarHBondContact O-CB 3.44Å; D234-R237 PolarHBondContact O-N 3.41Å; D234-R237 IonicContact OD1-NE 2.69Å; D234-R237 PolarHBondContact OD1-NE 2.85Å; E235-R237 PolarHBondContact O-N 3.13Å; R237-V240 PolarHBondContact O-N 3.49Å; R237-R241 WeakPolarHBondContact O-CG 3.32Å; R237-R241 PolarHBondContact O-N 3.45Å
238R83.9Confident82.5Confident89 Ų8983.2 Ų83.234%0.33643%0.425SS..Hα-helixtrans-61.8-45.7176.7-73.2-158.2-137.295.8-8.4110.9D234 E235 V240 R241 I242 E253D234-R238 PolarHBondContact O-N 2.66Å; E235-R238 PolarHBondContact O-N 3.33Å; E235-R238 VanDerWaalsContact O-N 3.07Å; E235-R238 IonicContact OE1-NH1 3.6Å; E235-R238 PolarHBondContact OE1-NH1 3.37Å; E235-R238 IonicContact OE2-CZ 3.95Å; E235-R238 IonicContact OE2-NH1 2.91Å; E235-R238 PolarHBondContact OE2-NH1 3.48Å; R238-V240 VanDerWaalsContact C-N 3.33Å; R238-V240 PolarHBondContact O-N 3.26Å; R238-R241 PolarHBondContact O-N 3.36Å; R238-R241 VanDerWaalsContact O-N 3.14Å; R238-I242 VanDerWaalsContact O-CG1 3.3Å; R238-I242 WeakPolarHBondContact O-CG1 3.47Å; R238-I242 PolarHBondContact O-N 3.21Å; R238-E253 IonicContact NH2-OE2 3.39Å
239T87.1Confident81Confident73 Ų7375.5 Ų75.545%0.44841%0.405SS..Hα-helixtrans-59.6-42.5178.955.70000112.3E235 Q236 I242 Y243E235-T239 WeakPolarHBondContact O-CG2 3.23Å; E235-T239 PolarHBondContact O-N 3.11Å; E235-T239 PolarHBondContact O-OG1 2.92Å; Q236-T239 PolarHBondContact O-OG1 3.38Å; T239-I242 PolarHBondContact O-N 3.02Å; T239-Y243 WeakPolarHBondContact O-CB 3.24Å; T239-Y243 PolarHBondContact O-N 3.11Å
240V86.9Confident79.1Confident21 Ų2179.4 Ų79.413%0.12743%0.428CS..Hα-helixtrans-65.3-41175.9172.80000111.7L208 Q236 R237 R238 Y243 F244L208-V240 HydrophobicContact CD2-CG1 4.17Å; Q236-V240 WeakPolarHBondContact O-CG2 3.47Å; R237-V240 PolarHBondContact O-N 3.49Å; R238-V240 VanDerWaalsContact C-N 3.33Å; R238-V240 PolarHBondContact O-N 3.26Å; V240-Y243 PolarHBondContact O-N 2.97Å; V240-F244 HydrophobicContact CG1-CD2 3.82Å; V240-F244 HydrophobicContact CG1-CE2 4.02Å; V240-F244 WeakPolarHBondContact O-CD2 3.47Å; V240-F244 PolarHBondContact O-N 2.96Å; V240-F244 VanDerWaalsContact O-N 3.12Å
241R86.4Confident77.3Confident60 Ų6080.1 Ų80.123%0.22642%0.424CS..Hα-helixtrans-63.2-44.5175.2-73.3176.5-172.7138.5-4112L208 R237 R238 Y243 F244 L245L208-R241 HydrophobicContact CB-CG 4.1Å; L208-R241 HydrophobicContact CD1-CG 4.13Å; L208-R241 PolarHBondContact O-NE 3.1Å; L208-R241 VanDerWaalsContact O-NE 3.09Å; L208-R241 PolarHBondContact O-NH2 3.22Å; R237-R241 WeakPolarHBondContact O-CG 3.32Å; R237-R241 PolarHBondContact O-N 3.45Å; R238-R241 PolarHBondContact O-N 3.36Å; R238-R241 VanDerWaalsContact O-N 3.14Å; R241-Y243 VanDerWaalsContact C-N 3.32Å; R241-Y243 PolarHBondContact O-N 3.36Å; R241-F244 PolarHBondContact O-N 3.16Å; R241-L245 HydrophobicContact CB-CD1 4.41Å; R241-L245 WeakPolarHBondContact O-CA 3.3Å; R241-L245 WeakPolarHBondContact O-CB 3.42Å; R241-L245 WeakPolarHBondContact O-CG 3.38Å; R241-L245 PolarHBondContact O-N 3.47Å
242I85.6Confident75.4Confident68 Ų6878.7 Ų78.735%0.34943%0.428SS..Hα-helixtrans-63.1-42.2178.1-67.3165000110.4R238 T239 F244 G246 V250R238-I242 VanDerWaalsContact O-CG1 3.3Å; R238-I242 WeakPolarHBondContact O-CG1 3.47Å; R238-I242 PolarHBondContact O-N 3.21Å; T239-I242 PolarHBondContact O-N 3.02Å; I242-F244 PolarHBondContact O-N 2.91Å; I242-G246 CarbonylContact O-C 3.56Å; I242-G246 WeakPolarHBondContact O-CA 3.29Å; I242-G246 PolarHBondContact O-N 2.93Å; I242-V250 HydrophobicContact CD1-CG2 4.33Å; I242-V250 HydrophobicContact CG1-CG2 4.34Å
243Y83.3Confident73.1Confident187 Ų18784.3 Ų84.373%0.73346%0.455SS*.Hα-helixtrans-62.9-42.7-179.6-176.8-97.5000113.1T239 V240 R241T239-Y243 WeakPolarHBondContact O-CB 3.24Å; T239-Y243 PolarHBondContact O-N 3.11Å; V240-Y243 PolarHBondContact O-N 2.97Å; R241-Y243 VanDerWaalsContact C-N 3.32Å; R241-Y243 PolarHBondContact O-N 3.36Å
244F82.2Confident70.8Confident59 Ų5986.9 Ų86.926%0.25947%0.47SS..Hα-helixtrans-92.4-29.2-177-75.3-73.6000114.8Y196 L204 I215 V240 R241 I242Y196-F244 AromaticContact CD2-CE1 3.96Å; Y196-F244 HydrophobicContact CD2-CE1 3.96Å; Y196-F244 AromaticContact CD2-CZ 3.9Å; Y196-F244 HydrophobicContact CD2-CZ 3.9Å; Y196-F244 HydrophobicContact CE2-CE1 4.38Å; Y196-F244 HydrophobicContact CE2-CZ 4.22Å; Y196-F244 HydrophobicContact CG-CZ 4.45Å; L204-F244 HydrophobicContact CD2-CB 3.62Å; L204-F244 HydrophobicContact CD2-CD1 3.51Å; L204-F244 HydrophobicContact CD2-CD2 4.27Å; L204-F244 HydrophobicContact CD2-CE1 4.22Å; L204-F244 HydrophobicContact CD2-CG 3.54Å; I215-F244 HydrophobicContact CD1-CE2 3.49Å; I215-F244 VanDerWaalsContact CD1-CE2 3.49Å; I215-F244 HydrophobicContact CD1-CZ 3.66Å; V240-F244 HydrophobicContact CG1-CD2 3.82Å; V240-F244 HydrophobicContact CG1-CE2 4.02Å; V240-F244 WeakPolarHBondContact O-CD2 3.47Å; V240-F244 PolarHBondContact O-N 2.96Å; V240-F244 VanDerWaalsContact O-N 3.12Å; R241-F244 PolarHBondContact O-N 3.16Å; I242-F244 PolarHBondContact O-N 2.91Å
245L78.3Confident68.5Low34 Ų3491.1 Ų91.118%0.17849%0.487CS..Hα-helixtrans-106.1-9.7-173.5-50.5-178.2000113.1R205 L208 R241 A249R205-L245 HydrophobicContact CB-CD2 4.27Å; R205-L245 HydrophobicContact CG-CD1 3.88Å; R205-L245 HydrophobicContact CG-CD2 3.18Å; R205-L245 HydrophobicContact CG-CG 4.09Å; L208-L245 HydrophobicContact CD1-CD1 4.23Å; L208-L245 HydrophobicContact CD1-CG 4.32Å; R241-L245 HydrophobicContact CB-CD1 4.41Å; R241-L245 WeakPolarHBondContact O-CA 3.3Å; R241-L245 WeakPolarHBondContact O-CB 3.42Å; R241-L245 WeakPolarHBondContact O-CG 3.38Å; R241-L245 PolarHBondContact O-N 3.47Å; L245-A249 HydrophobicContact CB-CB 3.81Å; L245-A249 HydrophobicContact CD1-CB 4.29Å
246G73.4Confident66.3Low23 Ų2391.4 Ų91.424%0.23750%0.5CS..  trans83.3168.2-176.700000113.5I242 S248 A249I242-G246 CarbonylContact O-C 3.56Å; I242-G246 WeakPolarHBondContact O-CA 3.29Å; I242-G246 PolarHBondContact O-N 2.93Å; G246-S248 PolarHBondContact O-N 3.45Å; G246-A249 PolarHBondContact O-N 3.44Å
247P66.8Low64Low110 Ų11092 Ų9271%0.71452%0.515SS*.G310 helixtrans-57.8-18.5-178-25.234.6000115A249P247-A249 PolarHBondContact O-N 3.28Å
248S55Low62Low122 Ų122100 Ų10085%0.85356%0.556SS**G310 helixtrans-74.7-0.7179.7-162.70000114.4G246G246-S248 PolarHBondContact O-N 3.45Å
249A54.4Low59.7Low43 Ų43102.6 Ų102.636%0.35558%0.577SS.*G310 helixtrans-89.96.3178.500000114.3L245 G246 P247 L251L245-A249 HydrophobicContact CB-CB 3.81Å; L245-A249 HydrophobicContact CD1-CB 4.29Å; G246-A249 PolarHBondContact O-N 3.44Å; P247-A249 PolarHBondContact O-N 3.28Å; A249-L251 PolarHBondContact O-N 2.81Å
250V47.4Very low57.6Low88 Ų88106.1 Ų106.153%0.53359%0.593SS.*  trans-82110.6174.2-176.50000108.4I242I242-V250 HydrophobicContact CD1-CG2 4.33Å; I242-V250 HydrophobicContact CG1-CG2 4.34Å
251L45.3Very low55.3Low155 Ų155112.4 Ų112.481%0.81263%0.626SS**  trans-68.6143.6162.3-87.9171.9000108.6A249 E253A249-L251 PolarHBondContact O-N 2.81Å; L251-E253 PolarHBondContact O-N 3Å
252P42.3Very low53.6Low125 Ų125113.4 Ų113.481%0.81266%0.655SS**  trans-68106-166.625.8-30.8000110.3
253E36.8Very low51.2Low151 Ų151119 Ų11971%0.70668%0.677SS**  trans-98.8130.5160.4-156.5164.7-162.800105.8R238 L251 E255R238-E253 IonicContact NH2-OE2 3.39Å; L251-E253 PolarHBondContact O-N 3Å; E253-E255 PolarHBondContact O-N 3.36Å
254V41.2Very low49.2Very low136 Ų136115.3 Ų115.382%0.82467%0.67SS**  trans-61.4127.2-172.385.80000109.9
255E39Very low47.6Very low172 Ų172120.6 Ų120.680%0.80470%0.698SS**  169.9140.4129.7-95.7-167.8143.400113.4E253E253-E255 PolarHBondContact O-N 3.36Å
256S42.4Very low46.1Very low112 Ų112123.8 Ų123.878%0.78372%0.719SS**  trans34.8102.2148.968.40000118.8
257S36.2Very low44.8Very low100 Ų100127.8 Ų127.870%0.69974%0.735SS**  trans-132.9121.2141.9-167.90000108.6D259S257-D259 PolarHBondContact O-N 3.33Å; S257-D259 PolarHBondContact OG-OD2 3.02Å
258L48.4Very low43.8Very low171 Ų171126.1 Ų126.190%0.89573%0.726SS**  trans-60.4108.7164.2-77.3154.1000108
259D35.8Very low43.5Very low145 Ų145127.6 Ų127.678%0.77572%0.719SS**  trans-132.8102.8156.7-79.8-68.4000108.2S257 D261S257-D259 PolarHBondContact O-N 3.33Å; S257-D259 PolarHBondContact OG-OD2 3.02Å; D259-D261 PolarHBondContact O-N 3.14Å
260N43.5Very low43.4Very low147 Ų147128.6 Ų128.679%0.78673%0.727SS**  trans-70106.1164.6165.777.6000107.7
261D37.7Very low43.5Very low153 Ų153130.1 Ų130.182%0.81873%0.732SS**  trans-153.1136.5144.5-87.9-36.5000109.7D259D259-D261 PolarHBondContact O-N 3.14Å
262G51.2Low43.7Very low81 Ų81128.9 Ų128.984%0.83573%0.725SS**  trans-60.9145.1-153.900000117.6
263F35.1Very low43.9Very low184 Ų184127.2 Ų127.281%0.80772%0.716SS**  trans-138.9141.9171.3-162.7-100.3000111.5
264D41.7Very low44.4Very low111 Ų111130.8 Ų130.859%0.59472%0.723SS**  trans-74143.4-162.9-173.137.9000114.3T266D264-T266 PolarHBondContact O-N 3.21Å; D264-T266 PolarHBondContact OD2-OG1 3.45Å
265M47.4Very low44.4Very low169 Ų169130.8 Ų130.883%0.83372%0.718SS**THydrogen-bonded Turntrans-76.30.9-171.6-16569.7152.900113.7
266T47.6Very low44.3Very low102 Ų102130.5 Ų130.563%0.62672%0.717SS**THydrogen-bonded Turntrans-87.2-21.9-168-39.30000113.7D264D264-T266 PolarHBondContact O-N 3.21Å; D264-T266 PolarHBondContact OD2-OG1 3.45Å
267D45.3Very low44.1Very low106 Ų106136.8 Ų136.857%0.56772%0.723SS**SBendtrans-90.1-13.5-172.7-1237000114.1Q269 A270D267-Q269 VanDerWaalsContact C-N 3.33Å; D267-Q269 PolarHBondContact O-N 3.3Å; D267-A270 PolarHBondContact O-N 3Å
268S45.9Very low43.9Very low75 Ų75138.1 Ų138.152%0.52472%0.722SS.*Hα-helixtrans-72.8-22.1177.9-66.60000113.9I272S268-I272 WeakPolarHBondContact O-CD1 3.38Å; S268-I272 WeakPolarHBondContact O-CG1 3.36Å
269Q48.7Very low43.6Very low154 Ų154133.6 Ų133.672%0.7272%0.717SS**Hα-helixtrans-71.6-32174.8-83.5-107.22.900112.3D267 S273D267-Q269 VanDerWaalsContact C-N 3.33Å; D267-Q269 PolarHBondContact O-N 3.3Å; Q269-S273 PolarHBondContact O-OG 3.04Å
270A52.2Low43.3Very low63 Ų63131.1 Ų131.152%0.52171%0.711SS.*Hα-helixtrans-78.3-26-176.200000113.8D267D267-A270 PolarHBondContact O-N 3Å
271L50.5Low42.9Very low120 Ų120129.5 Ų129.563%0.62871%0.711SS**Hα-helixtrans-82.5-34.1178.4-94.6162.8000113R274L271-R274 PolarHBondContact O-N 3.09Å
272I49.1Very low43Very low130 Ų130129.4 Ų129.467%0.66771%0.711SS**Hα-helixtrans-70.5-32-179.6-70.3169.2000111.7S268 R274S268-I272 WeakPolarHBondContact O-CD1 3.38Å; S268-I272 WeakPolarHBondContact O-CG1 3.36Å; I272-R274 PolarHBondContact O-N 3.32Å
273S46.4Very low42.1Very low90 Ų90134 Ų13463%0.62972%0.715SS**THydrogen-bonded Turntrans-71.6-9.7175.2-620000114.7Q269Q269-S273 PolarHBondContact O-OG 3.04Å
274R47.9Very low42.2Very low225 Ų225130.9 Ų130.985%0.84972%0.716SS**THydrogen-bonded Turntrans-96.9-4.8-177.4-115.2-178.6179.8155.91.1115L271 I272L271-R274 PolarHBondContact O-N 3.09Å; I272-R274 PolarHBondContact O-N 3.32Å
275L39.5Very low41.9Very low136 Ų136131.7 Ų131.771%0.71273%0.728SS**SBendtrans-109.77.7-178.2-83.7139.6000114W277L275-W277 PolarHBondContact O-N 3.23Å; L275-W277 VanDerWaalsContact O-N 3.09Å
276Q38Very low41.2Very low167 Ų167129.2 Ų129.278%0.7873%0.727SS**  trans-80.594.8177-159.8170.3-14.700109.9D278Q276-D278 PolarHBondContact O-N 3.03Å; Q276-D278 VanDerWaalsContact O-N 3.11Å
277W39Very low40.4Very low243 Ų243131.7 Ų131.792%0.9274%0.737SS**  trans-63.1102.9161.8-78.978.1000108.3L275 G279L275-W277 PolarHBondContact O-N 3.23Å; L275-W277 VanDerWaalsContact O-N 3.09Å; W277-G279 PolarHBondContact O-N 3.03Å
278D31Very low39.8Very low128 Ų128131.6 Ų131.668%0.68474%0.744SS**  trans-79.7104.4164.9-172.2-1.6000108Q276 S280Q276-D278 PolarHBondContact O-N 3.03Å; Q276-D278 VanDerWaalsContact O-N 3.11Å; D278-S280 PolarHBondContact O-N 3.3Å; D278-S280 PolarHBondContact OD1-OG 3.38Å
279G41.9Very low39Very low76 Ų76132 Ų13278%0.78476%0.761SS**  trans-76.596.8160.800000108.6W277W277-G279 PolarHBondContact O-N 3.03Å
280S29.3Very low38.2Very low94 Ų94130.1 Ų130.166%0.65776%0.764SS**  trans-135.4111.1167.6-73.40000110D278D278-S280 PolarHBondContact O-N 3.3Å; D278-S280 PolarHBondContact OD1-OG 3.38Å
281S36.4Very low37.4Very low112 Ų112131.7 Ų131.778%0.78377%0.772SS**  trans-67.2161.8165.3-53.70000110.8
282D38.6Very low36.6Very low152 Ų152134.2 Ų134.281%0.81378%0.777SS**  trans79.494.9172.2-63.3-31.3000117.2
283L32.3Very low35.8Very low176 Ų176134.5 Ų134.592%0.92179%0.785SS**  trans-157.6102.4136.9-74.7-170.7000110.3
284S36.9Very low35.1Very low119 Ų119134.9 Ų134.983%0.83279%0.788SS**  trans-62.7150.6162.6-63.80000111.4
285P36Very low34.3Very low129 Ų129132.7 Ų132.784%0.83879%0.787SS**  trans-118.7107.6151.630.7-16.7000110.5
286S33.2Very low33.9Very low117 Ų117132.3 Ų132.382%0.81879%0.786SS**  trans-103122.7149.5-69.60000107.1
287D30.8Very low33.6Very low153 Ų153132.8 Ų132.882%0.81879%0.789SS**  161.6159.396.8-162.417.5000111.4
288S33.1Very low33.1Very low105 Ų105124.2 Ų124.273%0.73478%0.775SS**  trans99.688.2154.7-63.50000118.9
289G29.2Very low32.9Very low84 Ų84130.6 Ų130.687%0.86679%0.79SS**  trans-140.683.4145.600000109.5
290S31.9Very low32.3Very low114 Ų114130.2 Ų130.280%0.79779%0.786SS**  trans-86.4137.1-177.2-169.30000112.3
291S34.4Very low32.4Very low96 Ų96134.4 Ų134.467%0.67180%0.8SS**  trans-162.6107.7144.3-85.60000113.5
292K33.1Very low32Very low172 Ų172132.2 Ų132.275%0.74880%0.795SS**  84.6121.4126.8-58.8175.5-168.41790121
293T32Very low31.7Very low136 Ų136131.7 Ų131.783%0.83480%0.798SS**  trans72.1150.1149.970.60000117.9
294S32.5Very low31.5Very low98 Ų98131 Ų13169%0.68580%0.795SS**  cis-176.6147-26.950.60000105.1
295E30.5Very low31.1Very low179 Ų179130.4 Ų130.484%0.83679%0.791SS**  trans60.6111155.5-79.4171.3128.700122.5
296N32.1Very low31.2Very low128 Ų128128.2 Ų128.268%0.68478%0.779SS**  63.8116.3112.1-138.827.5000121.6
297Q32.5Very low31.3Very low178 Ų178130.2 Ų130.283%0.83278%0.775SS**  trans47.8124.8140.4-70.2176.245.400121.6
298G27.7Very low31.6Very low62 Ų62127.9 Ų127.964%0.63977%0.771SS**  trans126.7120.8135.300000118
299W26.9Very low31.9Very low262 Ų262131.9 Ų131.999%0.99277%0.77SS**  trans73.6132.9150.3-57101.3000120
300G29.5Very low32.3Very low68 Ų68135.1 Ų135.170%0.70176%0.76SS**  trans-75.2175.1-170.100000116.3
301L31.6Very low32.7Very low182 Ų182135.5 Ų135.595%0.95376%0.758SS**  trans-170.7148.3142.6-97.7150.2000108.6
302G27.4Very low32.5Very low66 Ų66141.1 Ų141.168%0.6877%0.77SS**  trans-57.1177.9-168.300000116.5
303T31.6Very low33Very low141 Ų141142.8 Ų142.887%0.86578%0.777SS**  -163.7132.150.948.10000109.5
304N28.5Very low32.9Very low162 Ų162146.8 Ų146.887%0.86678%0.783SS**  trans-129.4107.5152.354.90.5000108
305S28.9Very low33Very low107 Ų107151.6 Ų151.675%0.74879%0.792SS**  trans-83.4133179.2-166.20000110.1
306S38.7Very low33.2Very low83 Ų83148.2 Ų148.258%0.5879%0.788SS**  trans50.5112.6143.549.40000119.3
307E33.8Very low33Very low158 Ų158150.6 Ų150.674%0.73879%0.794SS**  75.3131.883.7-77176.7112.800112.4
308S36.9Very low33.1Very low104 Ų104149.5 Ų149.573%0.72779%0.793SS**  cis-173.3133.346.822.30000107.8
309R40.6Very low33.1Very low190 Ų190151.9 Ų151.972%0.71780%0.8SS**  53.2137.285-68.7-176.5179.5-177.65.5112.9
310K37.3Very low33.2Very low152 Ų152147 Ų14766%0.66179%0.793SS**  cis-175.7137.111.1-116.2171.9-175.5179.70109.5
311T39.7Very low33.2Very low122 Ų122150.4 Ų150.475%0.74880%0.799SS**  38.4143.4127.2660000123.1
312K31.7Very low33.1Very low213 Ų213144.4 Ų144.493%0.92678%0.782SS**  -154.8124.6123.1-119.8169.7-176.7171.70112.3
313K41.6Very low33.2Very low208 Ų208148.3 Ų148.390%0.90479%0.793SS**  trans-93.8152.2166.3-99.9-179.6174.3173.80109.4
314K30.5Very low33.2Very low219 Ų219146.1 Ų146.195%0.95279%0.789SS**  trans-153.5153140.2-131.5179.9-179.9-176.90111.8
315K35.2Very low33.3Very low200 Ų200144.3 Ų144.387%0.8779%0.789SS**  trans-97.6154.5-160.9-104.9178.4173.9-178.80114.4
316S34.2Very low33.4Very low108 Ų108142.9 Ų142.976%0.75579%0.791SS**  trans15.1139.3146.163.70000123.8
317H28.4Very low33.2Very low177 Ų177147.2 Ų147.282%0.81981%0.807SS**  trans-154.3158.3133.5-162.5-100000111.5
318L34.3Very low33.1Very low155 Ų155143.4 Ų143.481%0.81281%0.81SS**  trans-128.6127.7-170.7-160.7154.1000107.3
319S27.1Very low32.9Very low113 Ų113143.7 Ų143.779%0.7981%0.812SS**  trans-173.315916046.10000113.6
320L29.7Very low32.6Very low160 Ų160142.4 Ų142.484%0.83882%0.819SS**  trans-108.3165.8-156.3-169.678.7000112.5
321V30.4Very low32.7Very low138 Ų138145 Ų14584%0.83683%0.83SS**  trans79.3135.4164.2-163.90000115.9
322G28.5Very low32.6Very low57 Ų57149 Ų14959%0.58884%0.837SS**  cis176.2161.7100000111
323T30.3Very low33.3Very low147 Ų147148.7 Ų148.790%0.90284%0.836SS**  trans54.9116.2157.859.40000121.9
324A30.1Very low33.6Very low95 Ų95148.4 Ų148.479%0.78584%0.835SS**  172.8119.6111.900000112.9
325S31.9Very low34.6Very low125 Ų125143.9 Ų143.987%0.87483%0.828SS**  trans38.8117.6136-47.70000121.6
326G31.6Very low35.8Very low77 Ų77143.8 Ų143.879%0.79483%0.828SS**  trans-162.7100.5158.500000111.4
327L32.8Very low37.2Very low174 Ų174144 Ų14491%0.91183%0.826SS**  trans-60.6142.7177.2-87.973.6000112.2
328G31.8Very low38.8Very low78 Ų78141.7 Ų141.780%0.80483%0.827SS**  trans-171.582.917000000112.5
329S34Very low40.3Very low109 Ų109138.5 Ų138.576%0.76282%0.823SS**  trans-66.3129.5-179.5-53.40000113.1
330N34.7Very low42.2Very low163 Ų163138.6 Ų138.687%0.87282%0.821SS**  trans-156138.8143.1-105.1-39000113.3
331K37.7Very low43.9Very low206 Ų206136.9 Ų136.990%0.89682%0.82SS**PPolyproline II helixtrans-64.5122-160.1-66167.2174.1173.50114.2
332K39.2Very low45.4Very low206 Ų206136.5 Ų136.590%0.89682%0.817SS**PPolyproline II helixtrans-96.9127.5157.8-83.9-175.1175.6179.20110
333K45.5Very low46.8Very low207 Ų207139.6 Ų139.690%0.983%0.827SS**PPolyproline II helixtrans-67.4130.5170.4-71.5178.7175.8178.50109.3
334K48.7Very low48.1Very low203 Ų203136.2 Ų136.288%0.88381%0.81SS**PPolyproline II helixtrans-69139.8169.4-82-177.1173.4-177.30110.2
335P50.2Low49.3Very low124 Ų124139.6 Ų139.681%0.80581%0.813SS**PPolyproline II helixtrans-75.4147.7165.529.9-29.2000110.9
336K60.5Low50.4Low198 Ų198142.8 Ų142.886%0.86181%0.807SS**PPolyproline II helixtrans-75140.7-179.7-161.5176.7-175.8-177.20109.4
337P65Low51.5Low111 Ų111145.6 Ų145.672%0.72180%0.804SS**PPolyproline II helixtrans-68148.5173.728.1-32.9000110.9
338P61.8Low52.5Low129 Ų129144.9 Ų144.984%0.83880%0.801SS**PPolyproline II helixtrans-67.9149.2177.327.8-32.6000111.5
339A64.6Low53.6Low88 Ų88148.4 Ų148.473%0.72780%0.8SS**PPolyproline II helixtrans-68.2149.4177.200000111.2
340P67Low54.1Low115 Ų115154.3 Ų154.375%0.74782%0.823SS**PPolyproline II helixtrans-66.8148.7175.428.6-33.8000111.1
341P66.3Low55.1Low125 Ų125153.9 Ų153.981%0.81282%0.821SS**PPolyproline II helixtrans-65.9138.817727.3-32.6000110.7
342T61.5Low56Low129 Ų129151.2 Ų151.279%0.79182%0.817SS**PPolyproline II helixtrans-65.4138.5171.146.50000110.1S344T342-S344 PolarHBondContact O-N 3.49Å
343P58.6Low56.9Low122 Ų122148.1 Ų148.179%0.79281%0.812SS**PPolyproline II helixtrans-63.3137178.924.8-31.6000111.3
344S56.4Low57.6Low77 Ų77144.6 Ų144.654%0.53881%0.807SS.*PPolyproline II helixtrans-74.1141.4177.7-177.40000110T342 Y346T342-S344 PolarHBondContact O-N 3.49Å; S344-Y346 PolarHBondContact O-N 3.34Å
345I55.6Low58.2Low166 Ų166141 Ų14185%0.85180%0.802SS**THydrogen-bonded Turntrans-66.30.1178.4-92.8168.7000113.6
346Y55.9Low58.7Low192 Ų192142.1 Ų142.175%0.75380%0.802SS**THydrogen-bonded Turntrans-102.74.4-177.2-98.9-85.2000115.7S344 D348S344-Y346 PolarHBondContact O-N 3.34Å; Y346-D348 VanDerWaalsContact C-N 3.33Å; Y346-D348 PolarHBondContact O-N 3.11Å
347D53.7Low58.6Low135 Ų135138.1 Ų138.172%0.72280%0.798SS**THydrogen-bonded Turntrans-84.73.8179.7-78.3-58.3000114.8
348D54.3Low58.1Low160 Ų160140.2 Ų140.286%0.85680%0.804SS**THydrogen-bonded Turntrans-109.126.7-177.7-99.5-47000114.6Y346Y346-D348 VanDerWaalsContact C-N 3.33Å; Y346-D348 PolarHBondContact O-N 3.11Å
349I54.3Low57.7Low151 Ų151141.2 Ų141.277%0.77480%0.801SS**  trans-133.978.3167.3-53.1174.8000109.4
350N44.7Very low57.1Low234 Ų234146 Ų146100%1.25181%0.808SS**  trans-160.10140.2-154.831.3000111.6

Retrieved 350 of 350 residues in 366.4 ms (Link to these results)