A0A087XA73_POEFO Loading...

AT-rich interactive domain-containing protein 3

Transcription factor.

AlphaFold DB , UniProt , Accession A0A087XA73, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 547 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
1M53.3Low79.6Confident214 Ų214121.5 Ų121.5100%1.05462%0.617SS**  0-60.20-71.1-157-90.100113.8L3 Q4 A5M1-L3 PolarHBondContact O-N 2.91Å; M1-Q4 PolarHBondContact O-N 2.93Å; M1-Q4 VanDerWaalsContact O-N 3.16Å; M1-A5 PolarHBondContact O-N 3.36Å
2K61.6Low80.7Confident191 Ų191126.7 Ų126.783%0.8362%0.623SS**Hα-helixtrans-48-51.2-172.4-71.2-172.4176.9-176.70115.7Q4 A5 V6K2-Q4 VanDerWaalsContact C-N 3.32Å; K2-Q4 PolarHBondContact O-N 3.47Å; K2-A5 PolarHBondContact O-N 2.89Å; K2-V6 PolarHBondContact O-N 2.88Å
3L65.1Low81.6Confident129 Ų129126.4 Ų126.468%0.67562%0.62SS**Hα-helixtrans-59.7-37.6-177.4-177.162.1000113.7M1 V6 M7M1-L3 PolarHBondContact O-N 2.91Å; L3-V6 PolarHBondContact O-N 2.79Å; L3-M7 PolarHBondContact O-N 3.02Å
4Q75Confident82.3Confident141 Ų141125.1 Ų125.166%0.65961%0.611SS**Hα-helixtrans-65.6-40.4179.7-173.6173.8-300111.6M1 K2 V6 M7 E8M1-Q4 PolarHBondContact O-N 2.93Å; M1-Q4 VanDerWaalsContact O-N 3.16Å; K2-Q4 VanDerWaalsContact C-N 3.32Å; K2-Q4 PolarHBondContact O-N 3.47Å; Q4-V6 VanDerWaalsContact C-N 3.33Å; Q4-V6 PolarHBondContact O-N 2.9Å; Q4-M7 PolarHBondContact O-N 2.97Å; Q4-E8 WeakPolarHBondContact O-CB 3.5Å; Q4-E8 PolarHBondContact O-N 3.31Å
5A82.7Confident83.1Confident60 Ų60128.5 Ų128.550%0.49662%0.615SS.*Hα-helixtrans-65.8-34.4175.200000112.5M1 K2 N9M1-A5 PolarHBondContact O-N 3.36Å; K2-A5 PolarHBondContact O-N 2.89Å; A5-N9 VanDerWaalsContact O-CB 3.3Å; A5-N9 WeakPolarHBondContact O-CB 3.4Å; A5-N9 PolarHBondContact O-N 3.04Å
6V82.1Confident83.8Confident93 Ų93124.1 Ų124.156%0.56461%0.607SS**Hα-helixtrans-66.6-47.3173.71760000110.8K2 L3 Q4 E8 N9 L10K2-V6 PolarHBondContact O-N 2.88Å; L3-V6 PolarHBondContact O-N 2.79Å; Q4-V6 VanDerWaalsContact C-N 3.33Å; Q4-V6 PolarHBondContact O-N 2.9Å; V6-E8 PolarHBondContact O-N 2.89Å; V6-N9 PolarHBondContact O-N 2.9Å; V6-L10 WeakPolarHBondContact O-CB 3.38Å; V6-L10 PolarHBondContact O-N 3.37Å
7M86.3Confident84.2Confident105 Ų105125.2 Ų125.252%0.51761%0.608SS.*Hα-helixtrans-64.6-37.7176.8-67.2-148-6000112.7L3 Q4 L10 H11L3-M7 PolarHBondContact O-N 3.02Å; Q4-M7 PolarHBondContact O-N 2.97Å; M7-L10 PolarHBondContact O-N 3.33Å; M7-H11 PolarHBondContact O-N 2.98Å; M7-H11 PolarHBondContact O-ND1 3.06Å
8E91.2Very high84.8Confident134 Ų134124.3 Ų124.363%0.62661%0.605SS**Hα-helixtrans-64.6-44.4175.2-171.5-179.2158.900111.4Q4 V6 L10 H11 R12Q4-E8 WeakPolarHBondContact O-CB 3.5Å; Q4-E8 PolarHBondContact O-N 3.31Å; V6-E8 PolarHBondContact O-N 2.89Å; E8-L10 PolarHBondContact O-N 3.44Å; E8-H11 PolarHBondContact O-N 3.26Å; E8-R12 VanDerWaalsContact O-CB 3.32Å; E8-R12 WeakPolarHBondContact O-CB 3.41Å; E8-R12 PolarHBondContact O-N 3.26Å
9N91.1Very high85.3Confident92 Ų92123.6 Ų123.649%0.49260%0.604SS.*Hα-helixtrans-63.4-41.1176.9-164.76000111.7A5 V6 R12 Q13A5-N9 VanDerWaalsContact O-CB 3.3Å; A5-N9 WeakPolarHBondContact O-CB 3.4Å; A5-N9 PolarHBondContact O-N 3.04Å; V6-N9 PolarHBondContact O-N 2.9Å; N9-R12 WeakPolarHBondContact O-CB 3.28Å; N9-R12 PolarHBondContact O-N 3.45Å; N9-R12 VanDerWaalsContact O-N 3.17Å; N9-Q13 PolarHBondContact O-N 3.5Å
10L92.3Very high85.5Confident87 Ų87124.4 Ų124.446%0.45561%0.608SS.*Hα-helixtrans-61.5-47.1174.8-176.662.5000112V6 M7 E8 R12 Q13 Q14V6-L10 WeakPolarHBondContact O-CB 3.38Å; V6-L10 PolarHBondContact O-N 3.37Å; M7-L10 PolarHBondContact O-N 3.33Å; E8-L10 PolarHBondContact O-N 3.44Å; L10-R12 VanDerWaalsContact C-N 3.27Å; L10-R12 PolarHBondContact O-N 3.38Å; L10-Q13 PolarHBondContact O-N 3.35Å; L10-Q14 WeakPolarHBondContact O-CG 3.5Å; L10-Q14 PolarHBondContact O-N 3.03Å
11H94.4Very high85.8Confident91 Ų91124.1 Ų124.142%0.42161%0.606SS.*Hα-helixtrans-63.2-33.7173.9-7692.2000112.2M7 E8 Q14 R15M7-H11 PolarHBondContact O-N 2.98Å; M7-H11 PolarHBondContact O-ND1 3.06Å; E8-H11 PolarHBondContact O-N 3.26Å; H11-Q14 PolarHBondContact O-N 3.06Å; H11-R15 WeakPolarHBondContact O-CB 3.48Å; H11-R15 VanDerWaalsContact O-CG 3.25Å; H11-R15 WeakPolarHBondContact O-CG 3.35Å; H11-R15 PolarHBondContact O-N 3.3Å
12R93.4Very high87.6Confident183 Ų183118.8 Ų118.869%0.69158%0.578SS**Hα-helixtrans-67.7-40.8176.1-163.3174.9-168.5-88.41.1111.6E8 N9 L10 A16E8-R12 VanDerWaalsContact O-CB 3.32Å; E8-R12 WeakPolarHBondContact O-CB 3.41Å; E8-R12 PolarHBondContact O-N 3.26Å; N9-R12 WeakPolarHBondContact O-CB 3.28Å; N9-R12 PolarHBondContact O-N 3.45Å; N9-R12 VanDerWaalsContact O-N 3.17Å; L10-R12 VanDerWaalsContact C-N 3.27Å; L10-R12 PolarHBondContact O-N 3.38Å; R12-A16 WeakPolarHBondContact O-CB 3.45Å; R12-A16 PolarHBondContact O-N 3.3Å
13Q92.5Very high89Confident123 Ų123115.3 Ų115.358%0.57557%0.565SS**Hα-helixtrans-63.8-46.4171.9-73.1-172.53.200112N9 L10 R15 A16 K17N9-Q13 PolarHBondContact O-N 3.5Å; L10-Q13 PolarHBondContact O-N 3.35Å; Q13-R15 PolarHBondContact O-N 2.93Å; Q13-A16 PolarHBondContact O-N 3.26Å; Q13-K17 PolarHBondContact O-N 2.95Å
14Q91.6Very high90.1Very high108 Ų108114.8 Ų114.851%0.50556%0.562SS.*Hα-helixtrans-59.6-44.3178-71.9173.1-2.600112L10 H11 K17 L18L10-Q14 WeakPolarHBondContact O-CG 3.5Å; L10-Q14 PolarHBondContact O-N 3.03Å; H11-Q14 PolarHBondContact O-N 3.06Å; Q14-K17 PolarHBondContact O-N 3.17Å; Q14-L18 PolarHBondContact O-N 3.03Å; Q14-L18 VanDerWaalsContact O-N 3.09Å
15R94Very high90.6Very high176 Ų176114.4 Ų114.466%0.66456%0.56SS**Hα-helixtrans-63.9-40.7174.4-71.2170.8-174.1169.43.9112.4H11 Q13 L18 L19H11-R15 WeakPolarHBondContact O-CB 3.48Å; H11-R15 VanDerWaalsContact O-CG 3.25Å; H11-R15 WeakPolarHBondContact O-CG 3.35Å; H11-R15 PolarHBondContact O-N 3.3Å; Q13-R15 PolarHBondContact O-N 2.93Å; R15-L18 PolarHBondContact O-N 3.06Å; R15-L19 WeakPolarHBondContact O-CG 3.45Å; R15-L19 PolarHBondContact O-N 3.08Å
16A93.8Very high90.6Very high58 Ų58117.1 Ų117.148%0.47956%0.563SS.*Hα-helixtrans-64.2-42.2176.800000112.2R12 Q13 L19 M20R12-A16 WeakPolarHBondContact O-CB 3.45Å; R12-A16 PolarHBondContact O-N 3.3Å; Q13-A16 PolarHBondContact O-N 3.26Å; A16-L19 PolarHBondContact O-N 2.88Å; A16-M20 PolarHBondContact O-N 2.67Å
17K91.7Very high90.5Very high144 Ų144117.3 Ų117.363%0.62656%0.558SS**Hα-helixtrans-59.6-48.2174.4-176-176.3174.1-173.90111.3Q13 Q14 L19 M20 E21Q13-K17 PolarHBondContact O-N 2.95Å; Q14-K17 PolarHBondContact O-N 3.17Å; K17-L19 VanDerWaalsContact C-N 3.34Å; K17-L19 PolarHBondContact O-N 2.56Å; K17-M20 WeakPolarHBondContact O-CB 3.45Å; K17-M20 PolarHBondContact O-N 2.79Å; K17-M20 VanDerWaalsContact O-N 3.15Å; K17-E21 WeakPolarHBondContact O-CB 3.46Å; K17-E21 PolarHBondContact O-N 3.46Å
18L94.2Very high90.2Very high108 Ų108114.8 Ų114.857%0.56555%0.553SS**Hα-helixtrans-62.9-39.4-178.4-157.3168000111.6Q14 R15 E21 Q22Q14-L18 PolarHBondContact O-N 3.03Å; Q14-L18 VanDerWaalsContact O-N 3.09Å; R15-L18 PolarHBondContact O-N 3.06Å; L18-E21 PolarHBondContact O-N 3.39Å; L18-Q22 WeakPolarHBondContact O-CB 3.49Å; L18-Q22 PolarHBondContact O-N 3.14Å
19L94.1Very high89.6Confident111 Ų111113.6 Ų113.658%0.58155%0.55SS*.Hα-helixtrans-64.7-40.1173-72.3171000112.8R15 A16 K17 Q22 Q23R15-L19 WeakPolarHBondContact O-CG 3.45Å; R15-L19 PolarHBondContact O-N 3.08Å; A16-L19 PolarHBondContact O-N 2.88Å; K17-L19 VanDerWaalsContact C-N 3.34Å; K17-L19 PolarHBondContact O-N 2.56Å; L19-Q22 PolarHBondContact O-N 3.03Å; L19-Q23 WeakPolarHBondContact O-CB 3.07Å; L19-Q23 PolarHBondContact O-N 3.25Å
20M90.3Very high88.8Confident139 Ų139111.7 Ų111.769%0.68555%0.547SS*.Hα-helixtrans-65.3-41.3175.6-175-179.7176.700111.8A16 K17 Q23 L24A16-M20 PolarHBondContact O-N 2.67Å; K17-M20 WeakPolarHBondContact O-CB 3.45Å; K17-M20 PolarHBondContact O-N 2.79Å; K17-M20 VanDerWaalsContact O-N 3.15Å; M20-Q23 PolarHBondContact O-N 3.29Å; M20-L24 WeakPolarHBondContact O-CB 3.22Å; M20-L24 PolarHBondContact O-N 3.26Å
21E91.6Very high87.6Confident120 Ų120113.5 Ų113.556%0.56155%0.553SS**Hα-helixtrans-63.8-43.5176.8-162.6173.5115.200111.3K17 L18 Q23 L24 Q25K17-E21 WeakPolarHBondContact O-CB 3.46Å; K17-E21 PolarHBondContact O-N 3.46Å; L18-E21 PolarHBondContact O-N 3.39Å; E21-Q23 PolarHBondContact O-N 3Å; E21-L24 PolarHBondContact O-N 2.99Å; E21-Q25 WeakPolarHBondContact O-CB 3.29Å; E21-Q25 PolarHBondContact O-N 3.26Å
22Q91.4Very high86Confident101 Ų101115.9 Ų115.947%0.47256%0.564SS.*Hα-helixtrans-63.6-38173.3-173.3-176.8103.600112.5L18 L19 Q25 Q26L18-Q22 WeakPolarHBondContact O-CB 3.49Å; L18-Q22 PolarHBondContact O-N 3.14Å; L19-Q22 PolarHBondContact O-N 3.03Å; Q22-Q25 PolarHBondContact O-N 3.27Å; Q22-Q26 PolarHBondContact O-N 2.88Å
23Q90.3Very high84.6Confident119 Ų119110 Ų11056%0.55655%0.554SS**Hα-helixtrans-67.4-42.4176.1-173.2176.736.500111.5L19 M20 E21 Q25 Q26 Q27L19-Q23 WeakPolarHBondContact O-CB 3.07Å; L19-Q23 PolarHBondContact O-N 3.25Å; M20-Q23 PolarHBondContact O-N 3.29Å; E21-Q23 PolarHBondContact O-N 3Å; Q23-Q25 VanDerWaalsContact C-N 3.32Å; Q23-Q25 PolarHBondContact O-N 3.29Å; Q23-Q26 PolarHBondContact O-N 3.4Å; Q23-Q27 WeakPolarHBondContact O-CG 3.27Å; Q23-Q27 PolarHBondContact O-N 3.11Å
24L88.4Confident82.8Confident117 Ų117111.5 Ų111.561%0.61356%0.562SS**Hα-helixtrans-61.9-41.5175.2-168.573.8000111M20 E21 Q27 A28M20-L24 WeakPolarHBondContact O-CB 3.22Å; M20-L24 PolarHBondContact O-N 3.26Å; E21-L24 PolarHBondContact O-N 2.99Å; L24-Q27 PolarHBondContact O-N 3.07Å; L24-A28 PolarHBondContact O-N 3.06Å
25Q85.2Confident81Confident133 Ų133111.7 Ų111.762%0.62157%0.57SS**Hα-helixtrans-67-36.9176.3-168.8166.169.800112.4E21 Q22 Q23 A28 I29E21-Q25 WeakPolarHBondContact O-CB 3.29Å; E21-Q25 PolarHBondContact O-N 3.26Å; Q22-Q25 PolarHBondContact O-N 3.27Å; Q23-Q25 VanDerWaalsContact C-N 3.32Å; Q23-Q25 PolarHBondContact O-N 3.29Å; Q25-A28 PolarHBondContact O-N 3.11Å; Q25-I29 HydrophobicContact CG-CD1 4.2Å; Q25-I29 WeakPolarHBondContact O-CB 3.21Å; Q25-I29 WeakPolarHBondContact O-CD1 3.15Å; Q25-I29 VanDerWaalsContact O-CG1 3.25Å; Q25-I29 WeakPolarHBondContact O-CG1 3.43Å; Q25-I29 PolarHBondContact O-N 3.41Å
26Q82.1Confident78.9Confident117 Ų117113.7 Ų113.755%0.54758%0.578SS.*Hα-helixtrans-65.4-38170.6-90171.87400112.8Q22 Q23 I29 A30Q22-Q26 PolarHBondContact O-N 2.88Å; Q23-Q26 PolarHBondContact O-N 3.4Å; Q26-I29 PolarHBondContact O-N 2.93Å; Q26-A30 WeakPolarHBondContact O-CB 3.45Å; Q26-A30 PolarHBondContact O-N 2.61Å
27Q80.8Confident76.6Confident98 Ų98115 Ų11546%0.45859%0.589SS.*Hα-helixtrans-65.2-41.7173.1-72.7-178.92.700111.8Q23 L24 A30 Q31Q23-Q27 WeakPolarHBondContact O-CG 3.27Å; Q23-Q27 PolarHBondContact O-N 3.11Å; L24-Q27 PolarHBondContact O-N 3.07Å; Q27-A30 PolarHBondContact O-N 3.11Å; Q27-Q31 WeakPolarHBondContact O-CG 3.39Å; Q27-Q31 PolarHBondContact O-N 2.88Å
28A79.1Confident74.3Confident51 Ų51111.3 Ų111.342%0.42159%0.591SS.*Hα-helixtrans-61.1-44.6174.400000111.7L24 Q25 Q31 H32L24-A28 PolarHBondContact O-N 3.06Å; Q25-A28 PolarHBondContact O-N 3.11Å; A28-Q31 PolarHBondContact O-N 2.69Å; A28-H32 VanDerWaalsContact O-CB 3.3Å; A28-H32 WeakPolarHBondContact O-CB 3.21Å; A28-H32 PolarHBondContact O-N 3.26Å
29I78.4Confident71.8Confident109 Ų109113.2 Ų113.256%0.55960%0.602SS**Hα-helixtrans-62.6-42.1175.2-69.4162.8000111.2Q25 Q26 H32 A33Q25-I29 HydrophobicContact CG-CD1 4.2Å; Q25-I29 WeakPolarHBondContact O-CB 3.21Å; Q25-I29 WeakPolarHBondContact O-CD1 3.15Å; Q25-I29 VanDerWaalsContact O-CG1 3.25Å; Q25-I29 WeakPolarHBondContact O-CG1 3.43Å; Q25-I29 PolarHBondContact O-N 3.41Å; Q26-I29 PolarHBondContact O-N 2.93Å; I29-H32 PolarHBondContact O-N 2.81Å; I29-A33 WeakPolarHBondContact O-CB 3.21Å; I29-A33 PolarHBondContact O-N 3.48Å
30A74.5Confident69.2Low52 Ų52115.6 Ų115.643%0.4362%0.615SS.*Hα-helixtrans-64.3-44.2177.800000112.4Q26 Q27 A33 Q34Q26-A30 WeakPolarHBondContact O-CB 3.45Å; Q26-A30 PolarHBondContact O-N 2.61Å; Q27-A30 PolarHBondContact O-N 3.11Å; A30-A33 PolarHBondContact O-N 2.73Å; A30-Q34 PolarHBondContact O-N 2.86Å
31Q67.2Low67.8Low126 Ų126114.2 Ų114.259%0.58962%0.616SS**Hα-helixtrans-61.4-45.3173.9-70.9172.615.100111.1Q27 A28 A33 Q34 V35Q27-Q31 WeakPolarHBondContact O-CG 3.39Å; Q27-Q31 PolarHBondContact O-N 2.88Å; A28-Q31 PolarHBondContact O-N 2.69Å; Q31-A33 VanDerWaalsContact C-N 3.26Å; Q31-A33 PolarHBondContact O-N 3.38Å; Q31-Q34 PolarHBondContact O-N 2.97Å; Q31-V35 WeakPolarHBondContact O-CG2 3.42Å; Q31-V35 PolarHBondContact O-N 2.84Å; Q31-V35 VanDerWaalsContact O-N 3.08Å
32H61.5Low65.2Low140 Ų140116.2 Ų116.265%0.64863%0.628SS**Hα-helixtrans-68.6-24.1179.7-149.9-41.1000113.2A28 I29A28-H32 VanDerWaalsContact O-CB 3.3Å; A28-H32 WeakPolarHBondContact O-CB 3.21Å; A28-H32 PolarHBondContact O-N 3.26Å; I29-H32 PolarHBondContact O-N 2.81Å
33A63.2Low62.7Low59 Ų59119.4 Ų119.449%0.48864%0.643SS.*Hα-helixtrans-76.2-41.2170.800000112.3I29 A30 Q31 V35 R36 A37I29-A33 WeakPolarHBondContact O-CB 3.21Å; I29-A33 PolarHBondContact O-N 3.48Å; A30-A33 PolarHBondContact O-N 2.73Å; Q31-A33 VanDerWaalsContact C-N 3.26Å; Q31-A33 PolarHBondContact O-N 3.38Å; A33-V35 VanDerWaalsContact C-N 3.34Å; A33-V35 PolarHBondContact O-N 3.04Å; A33-R36 PolarHBondContact O-N 3.26Å; A33-R36 VanDerWaalsContact O-N 3.1Å; A33-A37 PolarHBondContact O-N 3.36Å
34Q55.1Low60.1Low156 Ų156119.6 Ų119.673%0.72966%0.657SS**Hα-helixtrans-62.7-39.2175.3-72.5-169-8500112.3A30 Q31 R36 A37A30-Q34 PolarHBondContact O-N 2.86Å; Q31-Q34 PolarHBondContact O-N 2.97Å; Q34-R36 PolarHBondContact O-N 2.94Å; Q34-A37 PolarHBondContact O-N 3.35Å
35V54.8Low58.1Low112 Ų112118.9 Ų118.968%0.67967%0.668SS**Hα-helixtrans-62.4-27.6174.7173.30000112.1Q31 A33Q31-V35 WeakPolarHBondContact O-CG2 3.42Å; Q31-V35 PolarHBondContact O-N 2.84Å; Q31-V35 VanDerWaalsContact O-N 3.08Å; A33-V35 VanDerWaalsContact C-N 3.34Å; A33-V35 PolarHBondContact O-N 3.04Å
36R49.5Very low55.8Low218 Ų218116.6 Ų116.682%0.82367%0.672SS**THydrogen-bonded Turntrans-90.9-0.3-178.7-153.8177.3-175.2168.83.4114.2A33 Q34A33-R36 PolarHBondContact O-N 3.26Å; A33-R36 VanDerWaalsContact O-N 3.1Å; Q34-R36 PolarHBondContact O-N 2.94Å
37A45.3Very low54.3Low86 Ų86117 Ų11771%0.71169%0.685SS**THydrogen-bonded Turntrans-101.611.1-179.400000113.4A33 Q34A33-A37 PolarHBondContact O-N 3.36Å; Q34-A37 PolarHBondContact O-N 3.35Å
38G42.8Very low53Low66 Ų66120.9 Ų120.968%0.6870%0.703SS**SBendtrans-96-17.4-178.700000115.7
39D43Very low51.7Low147 Ų147120.2 Ų120.279%0.78670%0.701SS**  trans-113.6102.3-171.1-63.2-57.2000111.7
40D39.3Very low50.5Low162 Ų162122.3 Ų122.387%0.86671%0.708SS**  trans-105.1159166.6-109.3-32000109.6
41P60Low49.5Very low109 Ų109127.7 Ų127.771%0.70873%0.725SS**  -119153.3-11838.2-28.8000115.3
42M38.2Very low48.9Very low163 Ų163124.6 Ų124.680%0.80372%0.721SS**  trans-138.1108.4163.8-92.8-65.3-72.700111.7
43E38.9Very low48.8Very low167 Ų167124.2 Ų124.278%0.7872%0.719SS**  trans30.7110.6140.3-169.5172.8-15700120.2
44S35.3Very low48.7Very low124 Ų124127.1 Ų127.187%0.86773%0.725SS**  -171.3164.912631.90000111.8
45A45.8Very low49.1Very low102 Ų102122.5 Ų122.584%0.84371%0.714SS**  trans-82.2168.3-171.200000114.4
46A37.8Very low49.4Very low84 Ų84119.4 Ų119.469%0.69470%0.7SS**  trans-63.8169.6-173.500000115.1
47P50Low50.2Low126 Ų126114.8 Ų114.882%0.81869%0.691SS**  -123.7131.599.735.1-32.2000113.9G49P47-G49 PolarHBondContact O-N 2.9Å
48E53.4Low51.1Low180 Ų180113.6 Ų113.684%0.84168%0.681SS**THydrogen-bonded Turntrans-7830.7-173-153.8177.2160.800113.8
49G52.2Low51.9Low37 Ų37113.3 Ų113.338%0.38167%0.672SS.*THydrogen-bonded Turntrans-91.6-43-167.500000115.7P47 Q53P47-G49 PolarHBondContact O-N 2.9Å; G49-Q53 WeakPolarHBondContact O-CG 3.47Å; G49-Q53 PolarHBondContact O-NE2 3.3Å
50E53.4Low53Low152 Ų152112.2 Ų112.271%0.7166%0.664SS**Hα-helixtrans-88.9-37.3-170.2-64-172.9129.500113A52 Q53 I54E50-A52 VanDerWaalsContact C-N 3.27Å; E50-A52 PolarHBondContact O-N 3.07Å; E50-Q53 WeakPolarHBondContact O-CB 3.47Å; E50-Q53 PolarHBondContact O-N 3.05Å; E50-I54 WeakPolarHBondContact O-CG1 3.14Å; E50-I54 PolarHBondContact O-N 3.27Å
51Q53.8Low53.9Low165 Ų165114.6 Ų114.677%0.77166%0.661SS**Hα-helixtrans-64.6-34.2-178.6-161.6168.817.900112A55Q51-A55 WeakPolarHBondContact O-CB 3.18Å; Q51-A55 PolarHBondContact O-N 3.23Å
52A54.6Low53.7Low62 Ų62112.5 Ų112.551%0.51265%0.653SS.*Hα-helixtrans-64.7-39171.400000112.5E50 A56E50-A52 VanDerWaalsContact C-N 3.27Å; E50-A52 PolarHBondContact O-N 3.07Å; A52-A56 VanDerWaalsContact O-CB 3.28Å; A52-A56 WeakPolarHBondContact O-CB 3.12Å; A52-A56 PolarHBondContact O-N 3.02Å
53Q59.1Low54.4Low132 Ų132108.9 Ų108.962%0.61765%0.649SS**Hα-helixtrans-69.4-41.4177.6-71174.27400111.9G49 E50 A56 L57G49-Q53 WeakPolarHBondContact O-CG 3.47Å; G49-Q53 PolarHBondContact O-NE2 3.3Å; E50-Q53 WeakPolarHBondContact O-CB 3.47Å; E50-Q53 PolarHBondContact O-N 3.05Å; Q53-A56 PolarHBondContact O-N 3.25Å; Q53-L57 WeakPolarHBondContact O-CB 3.03Å; Q53-L57 PolarHBondContact O-N 2.93Å
54I60.4Low55Low119 Ų119105.4 Ų105.461%0.6165%0.649SS**Hα-helixtrans-63.3-43.6175.5-64.5166.6000110.4E50 L57 A58E50-I54 WeakPolarHBondContact O-CG1 3.14Å; E50-I54 PolarHBondContact O-N 3.27Å; I54-L57 PolarHBondContact O-N 2.88Å; I54-A58 WeakPolarHBondContact O-CB 3.21Å; I54-A58 PolarHBondContact O-N 3.35Å
55A64Low55.7Low59 Ų59103.4 Ų103.449%0.48864%0.64SS.*Hα-helixtrans-64.1-42.7175.500000112.5Q51 A58 A59Q51-A55 WeakPolarHBondContact O-CB 3.18Å; Q51-A55 PolarHBondContact O-N 3.23Å; A55-A58 PolarHBondContact O-N 3.38Å; A55-A59 WeakPolarHBondContact O-CB 3.39Å; A55-A59 PolarHBondContact O-N 2.61Å
56A60.9Low55.4Low48 Ų48101.5 Ų101.540%0.39763%0.63SS.*Hα-helixtrans-64.8-41.4176.900000112.3A52 Q53 A59 M60A52-A56 VanDerWaalsContact O-CB 3.28Å; A52-A56 WeakPolarHBondContact O-CB 3.12Å; A52-A56 PolarHBondContact O-N 3.02Å; Q53-A56 PolarHBondContact O-N 3.25Å; A56-A59 PolarHBondContact O-N 3.42Å; A56-M60 WeakPolarHBondContact O-CG 3.4Å; A56-M60 PolarHBondContact O-N 2.91Å
57L66.9Low55.5Low121 Ų121104.7 Ų104.763%0.63463%0.634SS**Hα-helixtrans-62.9-42.3175.6-165.579.1000111.4Q53 I54 M60 R61Q53-L57 WeakPolarHBondContact O-CB 3.03Å; Q53-L57 PolarHBondContact O-N 2.93Å; I54-L57 PolarHBondContact O-N 2.88Å; L57-M60 HydrophobicContact CD1-CE 4.31Å; L57-R61 WeakPolarHBondContact O-CB 3.4Å; L57-R61 PolarHBondContact O-N 3.34Å
58A62.5Low55.2Low60 Ų60107.3 Ų107.350%0.49664%0.636SS.*Hα-helixtrans-63.9-42.7174.700000112I54 A55 R61 A62I54-A58 WeakPolarHBondContact O-CB 3.21Å; I54-A58 PolarHBondContact O-N 3.35Å; A55-A58 PolarHBondContact O-N 3.38Å; A58-R61 PolarHBondContact O-N 3.44Å; A58-A62 PolarHBondContact O-N 3.46Å
59A60.1Low54.3Low60 Ų60109.3 Ų109.350%0.49664%0.636SS.*Hα-helixtrans-63.6-43.2177.300000112.5A55 A56 R61 A62 A63A55-A59 WeakPolarHBondContact O-CB 3.39Å; A55-A59 PolarHBondContact O-N 2.61Å; A56-A59 PolarHBondContact O-N 3.42Å; A59-R61 VanDerWaalsContact C-N 3.32Å; A59-R61 PolarHBondContact O-N 2.99Å; A59-A62 PolarHBondContact O-N 3.35Å; A59-A63 WeakPolarHBondContact O-CB 3.27Å; A59-A63 PolarHBondContact O-N 3.1Å
60M67.2Low53.4Low125 Ų125114.3 Ų114.362%0.61666%0.658SS**Hα-helixtrans-62.4-39.1174-72.2-173.2-69.100112A56 L57 A62 A63 A64A56-M60 WeakPolarHBondContact O-CG 3.4Å; A56-M60 PolarHBondContact O-N 2.91Å; L57-M60 HydrophobicContact CD1-CE 4.31Å; M60-A62 VanDerWaalsContact C-N 3.34Å; M60-A62 PolarHBondContact O-N 3.08Å; M60-A63 PolarHBondContact O-N 3.22Å; M60-A64 PolarHBondContact O-N 3.29Å
61R57.3Low52.4Low211 Ų211112.6 Ų112.680%0.79666%0.663SS**Hα-helixtrans-68.2-31.7176.7-162.1173.3-170.6168.33.3112.8L57 A58 A59L57-R61 WeakPolarHBondContact O-CB 3.4Å; L57-R61 PolarHBondContact O-N 3.34Å; A58-R61 PolarHBondContact O-N 3.44Å; A59-R61 VanDerWaalsContact C-N 3.32Å; A59-R61 PolarHBondContact O-N 2.99Å
62A56.7Low51.3Low66 Ų66111.8 Ų111.855%0.54566%0.664SS.*Hα-helixtrans-72.8-40.6172.600000112.4A58 A59 M60 A64 A65A58-A62 PolarHBondContact O-N 3.46Å; A59-A62 PolarHBondContact O-N 3.35Å; M60-A62 VanDerWaalsContact C-N 3.34Å; M60-A62 PolarHBondContact O-N 3.08Å; A62-A64 PolarHBondContact O-N 3.13Å; A62-A65 PolarHBondContact O-N 3.29Å
63A52.2Low50.1Low87 Ų87114 Ų11472%0.71968%0.676SS**Hα-helixtrans-63.5-28.5179.100000113.4A59 M60 A65A59-A63 WeakPolarHBondContact O-CB 3.27Å; A59-A63 PolarHBondContact O-N 3.1Å; M60-A63 PolarHBondContact O-N 3.22Å; A63-A65 PolarHBondContact O-N 3.1Å
64A51.1Low49.8Very low93 Ų93113.2 Ų113.277%0.76968%0.683SS**THydrogen-bonded Turntrans-72.6-7.9172.900000114.2M60 A62M60-A64 PolarHBondContact O-N 3.29Å; A62-A64 PolarHBondContact O-N 3.13Å
65A50.2Low48.2Very low82 Ų82116.2 Ų116.268%0.67870%0.696SS**SBendtrans-121.634.9-162.300000115.2A62 A63A62-A65 PolarHBondContact O-N 3.29Å; A63-A65 PolarHBondContact O-N 3.1Å
66G39.3Very low46.5Very low62 Ų62118.4 Ų118.464%0.63971%0.708SS**  trans166.4113.3163.300000119.1
67L41.1Very low45.1Very low151 Ų151125.4 Ų125.479%0.79173%0.729SS**  trans46.6123.8144.4-104.966.2000121.1R69L67-R69 PolarHBondContact O-N 3.38Å
68Q43.3Very low43.3Very low182 Ų182130.9 Ų130.985%0.8574%0.741SS**  trans-52.8131.4155-61.1167.7-2.300111.2
69R34.8Very low41.9Very low222 Ų222133 Ų13384%0.83875%0.753SS**  trans-136.699.3156.9-72.1-171.6-178.9-93.60.8108.6L67L67-R69 PolarHBondContact O-N 3.38Å
70V31.7Very low40.4Very low141 Ų141136 Ų13686%0.85577%0.77SS**  trans-106.9122.8169.7-78.60000108.9
71S34.1Very low38.6Very low117 Ų117133.5 Ų133.582%0.81878%0.776SS**  trans-139105.8174.5-670000107.9
72D29.7Very low37.3Very low148 Ų148126.3 Ų126.379%0.79177%0.768SS**  trans-152.4104.2157.4-135.6-28.6000113.6
73S30.3Very low36.3Very low107 Ų107132.1 Ų132.175%0.74878%0.784SS**  trans61158.1139.7-58.70000122.3
74P51.8Low35.6Very low117 Ų117136.9 Ų136.976%0.7679%0.792SS**  trans-115.2164.5-16141.2-31.6000115.1
75M27Very low34.9Very low182 Ų182141.3 Ų141.390%0.89780%0.796SS**  trans-170.2151.3135.7-111.5177.972.100116.3
76S28.2Very low34.4Very low105 Ų105147.4 Ų147.473%0.73480%0.802SS**  trans67.2115.6152.5-158.60000123.1
77K32.3Very low34.3Very low194 Ų194152.5 Ų152.584%0.84381%0.814SS**  trans-34.6142155.5-51.6163.3-179.8176.60115.9
78R29.1Very low34.3Very low236 Ų236152 Ų15289%0.89181%0.812SS**  -177.5131.1105.1-118.8-171.1166-143.7-3.2116.5
79S31.8Very low34.1Very low106 Ų106150.6 Ų150.674%0.74181%0.811SS**  trans68.5142.4135.8-139.40000123.3
80S29.7Very low34.1Very low121 Ų121147.3 Ų147.385%0.84681%0.81SS**  trans76.3136.4164.3-146.10000116.7
81G29Very low34.5Very low73 Ų73148.1 Ų148.175%0.75381%0.809SS**  cis154.2138.3-7.400000112.3
82G30.7Very low34.9Very low61 Ų61151.6 Ų151.663%0.62981%0.812SS**  trans103.2111.9-17000000110.6
83E35.5Very low35.3Very low187 Ų187148.1 Ų148.187%0.87481%0.812SS**  6994.868-64.9159.7-148.300109.2
84E37.4Very low35.8Very low188 Ų188152.1 Ų152.188%0.87982%0.819SS**  56.210972.5-70.1-164.3-144.900113.6
85E36.5Very low35.1Very low185 Ų185155.6 Ų155.686%0.86483%0.825SS**  trans-151.2165.6130.6-100.2-56.1172.700108.4
86R39.3Very low35.8Very low211 Ų211154.2 Ų154.280%0.79682%0.816SS**  trans-129.8142.7173.8-55.5-179.2-171.4-169.32.9110.7
87D37.1Very low36.2Very low168 Ų168160 Ų16090%0.89882%0.823SS**  trans-133118.5157.9-78.3-56.4000108.9
88D41.2Very low36.7Very low141 Ų141159.5 Ų159.575%0.75482%0.821SS**  trans-104.2137.4159.5-95.4-52.9000106.5
89D39.9Very low37.2Very low153 Ų153156 Ų15682%0.81882%0.82SS**  trans169.8154132.3-91.9-22.1000113.5
90N33.6Very low37.8Very low153 Ų153159.2 Ų159.282%0.81883%0.825SS**  trans65.680.5167.2-66.2-14000119.7
91D40.3Very low38.5Very low157 Ų157160.8 Ų160.884%0.8482%0.821SS**  0177.6107.2-157.716.8000120.9
92E42.3Very low38.8Very low190 Ų190159.6 Ų159.689%0.88881%0.809SS**  trans8895.2-177.9-61.6-166.5-176.500115.9
93G38.2Very low39.8Very low76 Ų76161.2 Ų161.278%0.78481%0.811SS**  trans-166.4-37.4174.100000120
94E40.1Very low40.1Very low190 Ų190158.4 Ų158.489%0.88880%0.802SS**SBendtrans-119.325.3-161.7-67.5-154.1144.200117.9
95E38.6Very low40.7Very low190 Ų190155 Ų15589%0.88879%0.786SS**  trans-113.842.1-179.8-61.6-141.9138.500115.7
96H40.6Very low41.2Very low154 Ų154152.6 Ų152.671%0.71378%0.775SS**SBendtrans-129.423.7177.9-15366.1000117.3
97Y37.9Very low41.6Very low225 Ų225147.1 Ų147.188%0.88276%0.758SS**SBendtrans-134.74.9173.1-77.3-72.1000115.8
98K41.7Very low41.9Very low184 Ų184145.3 Ų145.380%0.874%0.744SS**SBendtrans-99.1-19.1178.6-76.1170.6-178.8157.60114.8
99D39.3Very low42.5Very low162 Ų162144.2 Ų144.287%0.86674%0.737SS**THydrogen-bonded Turntrans-94.85.4-167.3-153.946.6000114.8
100M46.1Very low42.8Very low174 Ų174143.9 Ų143.986%0.85773%0.728SS**THydrogen-bonded Turntrans-100.8-2.6-179.5-83.9-163.6172.700115.4
101M42.6Very low43.3Very low154 Ų154145.3 Ų145.376%0.75972%0.722SS**SBendtrans-125.6114.2177-67.9-63.7-63.700109.7
102G36.8Very low43.4Very low48 Ų48144.9 Ų144.950%0.49571%0.713SS.*  trans-71129.6-17300000113.5D104 E105G102-D104 PolarHBondContact O-N 2.85Å; G102-E105 PolarHBondContact O-N 2.96Å; G102-E105 VanDerWaalsContact O-N 3.08Å
103S50.9Low43.7Very low95 Ų95144 Ų14466%0.66470%0.702SS**Hα-helixtrans-55.2-25.4179.3-172.30000114.3E105S103-E105 VanDerWaalsContact C-N 3.3Å; S103-E105 PolarHBondContact O-N 2.95Å
104D42Very low43.9Very low129 Ų129147.1 Ų147.169%0.6970%0.7SS**Hα-helixtrans-72.6-20.2-179-64.6-29.5000113.2G102 Q108G102-D104 PolarHBondContact O-N 2.85Å; D104-Q108 WeakPolarHBondContact O-CG 3.34Å; D104-Q108 PolarHBondContact O-N 2.94Å; D104-Q108 PolarHBondContact O-NE2 3.45Å
105E49.8Very low44.2Very low116 Ų116146.9 Ų146.954%0.54270%0.699SS.*Hα-helixtrans-82.4-39179.6-60.8-164.9162.500112G102 S103 E107 Q108 I109G102-E105 PolarHBondContact O-N 2.96Å; G102-E105 VanDerWaalsContact O-N 3.08Å; S103-E105 VanDerWaalsContact C-N 3.3Å; S103-E105 PolarHBondContact O-N 2.95Å; E105-E107 PolarHBondContact O-N 3.2Å; E105-Q108 PolarHBondContact O-N 2.95Å; E105-I109 WeakPolarHBondContact O-CG1 3.26Å; E105-I109 PolarHBondContact O-N 3.44Å
106E46.7Very low44.4Very low134 Ų134141.6 Ų141.663%0.62670%0.696SS**Hα-helixtrans-64.2-41.9176.5-166-173.3154.100111.1Q108 I109 K110E106-Q108 VanDerWaalsContact C-N 3.34Å; E106-Q108 PolarHBondContact O-N 3.34Å; E106-I109 CarbonylContact O-C 3.57Å; E106-I109 PolarHBondContact O-N 3.39Å; E106-K110 WeakPolarHBondContact O-CB 3.41Å; E106-K110 PolarHBondContact O-N 3Å
107E48.1Very low44.2Very low97 Ų97140.6 Ų140.645%0.45370%0.696SS.*Hα-helixtrans-64-35.2175.5-85.9-138.5-172.700113.1E105 K110 R111E105-E107 PolarHBondContact O-N 3.2Å; E107-K110 PolarHBondContact O-N 3.1Å; E107-R111 VanDerWaalsContact O-CB 3.31Å; E107-R111 WeakPolarHBondContact O-CB 3.35Å; E107-R111 WeakPolarHBondContact O-CD 3.34Å; E107-R111 WeakPolarHBondContact O-CG 3.37Å; E107-R111 PolarHBondContact O-N 3.04Å; E107-R111 IonicContact OE2-CZ 2.85Å; E107-R111 IonicContact OE2-NE 2.64Å; E107-R111 PolarHBondContact OE2-NE 2.87Å; E107-R111 IonicContact OE2-NH2 2.84Å; E107-R111 PolarHBondContact OE2-NH2 3.42Å
108Q43.8Very low44.6Very low129 Ų129138.5 Ų138.560%0.60369%0.692SS**Hα-helixtrans-67.4-41.5173.6-75.5173.986.600111.8D104 E105 E106 K110 K112D104-Q108 WeakPolarHBondContact O-CG 3.34Å; D104-Q108 PolarHBondContact O-N 2.94Å; D104-Q108 PolarHBondContact O-NE2 3.45Å; E105-Q108 PolarHBondContact O-N 2.95Å; E106-Q108 VanDerWaalsContact C-N 3.34Å; E106-Q108 PolarHBondContact O-N 3.34Å; Q108-K110 PolarHBondContact O-N 3.28Å; Q108-K112 VanDerWaalsContact O-CB 3.31Å; Q108-K112 WeakPolarHBondContact O-CB 3.44Å; Q108-K112 PolarHBondContact O-N 3.44Å; Q108-K112 VanDerWaalsContact O-N 3.17Å
109I52.6Low44.7Very low118 Ų118138.3 Ų138.361%0.60569%0.694SS**Hα-helixtrans-67.2-22.5175-66.2165.6000111.5E105 E106E105-I109 WeakPolarHBondContact O-CG1 3.26Å; E105-I109 PolarHBondContact O-N 3.44Å; E106-I109 CarbonylContact O-C 3.57Å; E106-I109 PolarHBondContact O-N 3.39Å
110K46.4Very low44.4Very low146 Ų146134.6 Ų134.664%0.63568%0.68SS**Hα-helixtrans-85.7-49.2175.4-153.3165.7-165.1159.90112.6E106 E107 Q108 K112 W113E106-K110 WeakPolarHBondContact O-CB 3.41Å; E106-K110 PolarHBondContact O-N 3Å; E107-K110 PolarHBondContact O-N 3.1Å; Q108-K110 PolarHBondContact O-N 3.28Å; K110-K112 VanDerWaalsContact C-N 3.28Å; K110-K112 PolarHBondContact O-N 3.38Å; K110-W113 PolarHBondContact O-N 3.44Å
111R43.7Very low43.9Very low183 Ų183132 Ų13269%0.69167%0.67SS**Hα-helixtrans-64.3-27.7-178.8-70.5167.2-178.1-111.25.7113.5E107 W113E107-R111 VanDerWaalsContact O-CB 3.31Å; E107-R111 WeakPolarHBondContact O-CB 3.35Å; E107-R111 WeakPolarHBondContact O-CD 3.34Å; E107-R111 WeakPolarHBondContact O-CG 3.37Å; E107-R111 PolarHBondContact O-N 3.04Å; E107-R111 IonicContact OE2-CZ 2.85Å; E107-R111 IonicContact OE2-NE 2.64Å; E107-R111 PolarHBondContact OE2-NE 2.87Å; E107-R111 IonicContact OE2-NH2 2.84Å; E107-R111 PolarHBondContact OE2-NH2 3.42Å; R111-W113 PolarHBondContact O-N 2.92Å
112K42.1Very low44.1Very low148 Ų148132.8 Ų132.864%0.64367%0.674SS**THydrogen-bonded Turntrans-70.8-10.7-178.8-173173.2176.7-169.60114.4Q108 K110Q108-K112 VanDerWaalsContact O-CB 3.31Å; Q108-K112 WeakPolarHBondContact O-CB 3.44Å; Q108-K112 PolarHBondContact O-N 3.44Å; Q108-K112 VanDerWaalsContact O-N 3.17Å; K110-K112 VanDerWaalsContact C-N 3.28Å; K110-K112 PolarHBondContact O-N 3.38Å
113W50.1Low44.3Very low171 Ų171137.7 Ų137.765%0.64869%0.689SS**THydrogen-bonded Turntrans-128.16.7-171-59.385.8000115.4K110 R111 M291K110-W113 PolarHBondContact O-N 3.44Å; R111-W113 PolarHBondContact O-N 2.92Å; W113-M291 HydrophobicContact CH2-CE 4.01Å; W113-M291 HydrophobicContact CZ3-CE 4.19Å
114D41.7Very low43.8Very low142 Ų142142.3 Ų142.376%0.75970%0.7SS**SBendtrans-93.6-38.2-173-147.528.1000113.4
115E47.3Very low43.7Very low185 Ų185143.6 Ų143.686%0.86471%0.707SS**SBendtrans-142.2138.1-176.9-63.2-173.715000113
116G41Very low43.4Very low80 Ų80148 Ų14883%0.82573%0.725SS**SBendtrans133.7-66.1156.700000118.2F118G116-F118 PolarHBondContact O-N 3.38Å
117D38.4Very low43.1Very low132 Ų132151 Ų15171%0.70674%0.738SS**THydrogen-bonded Turntrans-97.645.7-150.7-155.147.1000114.9
118F46.2Very low42.7Very low182 Ų182154.2 Ų154.280%0.79876%0.759SS**THydrogen-bonded Turntrans-121.4-14.6-173-166.3-107.6000117G116G116-F118 PolarHBondContact O-N 3.38Å
119E43.1Very low42.5Very low180 Ų180155.8 Ų155.884%0.84177%0.771SS**SBendtrans-120.310.3-170-62.7-170.2153.700115.3
120S31.8Very low42.1Very low83 Ų83158.5 Ų158.558%0.5879%0.786SS**SBendtrans-99.8-27.6-177.857.60000116.5M122S120-M122 PolarHBondContact O-N 2.73Å
121D37.4Very low42Very low121 Ų121156.3 Ų156.365%0.64780%0.796SS**SBendtrans-93.724.8-165.4-83.241.7000113.7R318D121-R318 IonicContact OD1-NH2 2.68Å; D121-R318 IonicContact OD2-CZ 3.16Å; D121-R318 IonicContact OD2-NE 2.61Å; D121-R318 IonicContact OD2-NH2 2.75Å; D121-R318 PolarHBondContact OD2-NH2 2.98Å
122M45.4Very low41.9Very low170 Ų170156.7 Ų156.784%0.83781%0.805SS**SBendtrans-104-19.6-169-159.9157.1-173.400116.3S120S120-M122 PolarHBondContact O-N 2.73Å
123D41.3Very low41.7Very low150 Ų150158.4 Ų158.480%0.80282%0.815SS**SBendtrans-120.4-2.2-158.2-69.9-49.8000118.1
124E40.4Very low40.8Very low193 Ų193153.9 Ų153.990%0.90282%0.822SS**SBendtrans-110.6-9.4-169.3-67.4-163.9156.700118
125D40.1Very low40.3Very low156 Ų156154.7 Ų154.783%0.83483%0.825SS**SBendtrans-105.913.1-158.8-124.220.2000116.6
126F43.4Very low39.7Very low209 Ų209151.6 Ų151.692%0.91782%0.821SS**SBendtrans-146.959.9-172.6-87.6-76000116.9
127E41.6Very low39.4Very low195 Ų195154.6 Ų154.691%0.91182%0.824SS**SBendtrans-129.4-1.7168.7-145.6174.1-14700115.8
128D38.8Very low38.9Very low166 Ų166152.1 Ų152.189%0.88883%0.829SS**SBendtrans-119.329-160.5-143.615.1000115.8
129D39.6Very low38.3Very low161 Ų161152 Ų15286%0.86183%0.831SS**SBendtrans-137.147.7-179.1-161.224.2000113.5
130L44.7Very low37.6Very low175 Ų175151.1 Ų151.192%0.91683%0.832SS**  trans-141.832.4178-124.3171.3000113.3
131A42.9Very low37.6Very low101 Ų101150.8 Ų150.884%0.83583%0.834SS**  trans-119.74-16800000116.4
132E42Very low37.2Very low190 Ų190152.3 Ų152.389%0.88885%0.847SS**  trans-145.9102174.9-165.2168.9-147.900114.9
133E39.1Very low36.6Very low185 Ų185148.5 Ų148.586%0.86484%0.843SS**  trans-156.3114.3147.1-105.4-100.2123.800107.6
134G30.6Very low36.7Very low76 Ų76147.6 Ų147.678%0.78485%0.845SS**  trans-92.3110.9-173.200000113.2
135L31.1Very low36.1Very low159 Ų159141.5 Ų141.583%0.83283%0.834SS**PPolyproline II helixtrans-82.7139.3172.5-69.9176.2000112.2
136P35Very low35.7Very low119 Ų119144.3 Ų144.377%0.77384%0.839SS**PPolyproline II helixtrans-73.8151.6-176.729.8-35.4000113.4
137T33.4Very low35Very low144 Ų144137.7 Ų137.788%0.88383%0.829SS**PPolyproline II helixtrans-61.9131.7-174.150.50000114.8
138G29Very low34.8Very low79 Ų79136 Ų13681%0.81483%0.825SS**  trans-137.6106.816200000110
139H33.1Very low34.5Very low181 Ų181135.8 Ų135.884%0.83882%0.823SS**  trans-104.4124.6-171.3-142.2-74.9000110.4
140D29.1Very low34Very low160 Ų160135.2 Ų135.286%0.85682%0.819SS**  trans-155.6166.2145.8-149.4-83.3000109.4
141A30.5Very low33.4Very low76 Ų76134 Ų13463%0.62881%0.812SS**  trans-150.8147.1-161.500000114.8
142V30.9Very low33.3Very low153 Ų153134.7 Ų134.793%0.92781%0.809SS**  trans-152.3156.3157.4117.40000112.1
143A31.1Very low32.8Very low90 Ų90133.3 Ų133.374%0.74480%0.802SS**  trans-96.5170.5-164.800000114.3
144P44.5Very low32.2Very low132 Ų132135.7 Ų135.786%0.85780%0.803SS**  trans-100.1167-160.338.4-36.7000116.2
145G27.9Very low32.1Very low64 Ų64139.6 Ų139.666%0.6680%0.801SS**  trans171.2127.6156.700000121
146K31.2Very low32Very low216 Ų216140.1 Ų140.194%0.93980%0.804SS**  trans76.4138133.2-55.3167.2-175.3173.90121.7
147G29.3Very low31.8Very low69 Ų69143.1 Ų143.171%0.71181%0.807SS**  trans88.3121.4160.400000114.5
148I36.9Very low32.6Very low160 Ų160141.4 Ų141.482%0.82180%0.798SS**  cis69.2105.734.9-50177.2000114.3
149L33.3Very low32.6Very low162 Ų162146.1 Ų146.185%0.84880%0.799SS**  -165.9-177.5120.4-104178.1000112.2
150L29.3Very low32.3Very low149 Ų149140.9 Ų140.978%0.7878%0.782SS**  trans-111.3170.8-154.6-73.8150.6000116.1
151L31.9Very low32.4Very low148 Ų148141.3 Ų141.378%0.77578%0.779SS**  trans-25.1164.7154.6-92.569.8000117.4
152P39.9Very low32.4Very low117 Ų117145.4 Ų145.476%0.7679%0.79SS**  cis-148.2150.735.539.1-17.6000121.2
153H30.9Very low32.4Very low160 Ų160144.9 Ų144.974%0.74178%0.781SS**  trans6.3129.3132.9-162.396.8000121.4
154R27.5Very low32.4Very low236 Ų236149.9 Ų149.989%0.89179%0.786SS**  trans-157.7144.9143.3-154.7172.4174.7129.23.7114.9
155Q29.3Very low31.6Very low157 Ų157149.7 Ų149.773%0.73478%0.782SS**  trans-68.4158.9175.4-76.9154.7-57.200115.9
156L27.1Very low31.6Very low171 Ų171156 Ų15690%0.89579%0.786SS**  -168.3172115.9-102.9168.3000113.7
157H31.6Very low32Very low181 Ų181151.7 Ų151.784%0.83878%0.78SS**  trans-107.2170.4-172.7-104.6-122.1000113.6
158P50.6Low31.8Very low108 Ų108153 Ų15370%0.70177%0.771SS**  trans-103.8158.8-160.238.8-36.2000117.1
159H27.8Very low31.5Very low179 Ų179151.8 Ų151.883%0.82977%0.77SS**  trans-155129.1158.7-13260.5000117.6
160S27.9Very low31.2Very low71 Ų71151.7 Ų151.750%0.49777%0.766SS.*  trans34.3127.7142.7-66.30000126.7
161Q30.8Very low31.1Very low169 Ų169154.3 Ų154.379%0.7977%0.774SS**  65.5126.3123.6-58.217364.300122.6
162L31.6Very low30.9Very low162 Ų162154.7 Ų154.785%0.84877%0.771SS**  -168.9140.1118.1-131.478.7000117.9
163L29.5Very low31.2Very low141 Ų141153.8 Ų153.874%0.73877%0.766SS**  trans-9.6133.6159-65161.6000124.9
164K31.6Very low31.1Very low195 Ų195157 Ų15785%0.84877%0.771SS**  trans-168.4101.1134.8-131.369178.4-174.50111
165V28.3Very low31.3Very low129 Ų129152 Ų15278%0.78277%0.766SS**  70.712489.7177.70000116.6
166R27.5Very low31.5Very low197 Ų197148.6 Ų148.674%0.74377%0.766SS**  trans-95.5161.4171.7-79.917360.9143.1-7.3111.8N168R166-N168 PolarHBondContact NH2-OD1 3.05Å
167P39.1Very low31.7Very low124 Ų124148.5 Ų148.581%0.80576%0.764SS**  -134.7163.689.137.8-26.3000112.7
168N26.1Very low31.9Very low97 Ų97147.5 Ų147.552%0.51976%0.762SS.*  cis109.1988.7-160.788.8000117.1R166R166-N168 PolarHBondContact NH2-OD1 3.05Å
169V30.4Very low31.6Very low134 Ų134147.7 Ų147.781%0.81276%0.763SS**  trans-150.8106.4154.1172.40000104.2
170E26.6Very low32.3Very low161 Ų161143.9 Ų143.975%0.75275%0.754SS**  82.7101.874-87.8-168.1108.400116.1
171Q26.6Very low32.6Very low203 Ų203148.7 Ų148.795%0.94977%0.768SS**  -165.7139.6130-106.617042.100111.4
172E29Very low33Very low156 Ų156144.9 Ų144.973%0.72977%0.766SS**  trans-148.4175.2176.7-130-117.6118.700105.5R174E172-R174 PolarHBondContact OE1-N 2.88Å
173P44.8Very low33.5Very low98 Ų98143 Ų14364%0.63676%0.763SS**  cis-139.6173.315.343.3-25.9000119
174R29.5Very low34.2Very low228 Ų228145.2 Ų145.286%0.8677%0.769SS**  -179.2102.7127.3-98.3-170.6-161-151.86.7113.2E172E172-R174 PolarHBondContact OE1-N 2.88Å
175V30.8Very low34.3Very low130 Ų130141.3 Ų141.379%0.78877%0.767SS**  trans22.297.9137.1-1680000115.5
176A33.5Very low34.6Very low87 Ų87142.9 Ų142.972%0.71977%0.765SS**  76.1121.357.600000115.9
177I31.3Very low35.4Very low168 Ų168142.1 Ų142.186%0.86278%0.775SS**  trans-161.2130.1146.2-95.4148.6000108.2
178M37.8Very low34.9Very low161 Ų161138.6 Ų138.679%0.79376%0.761SS**  trans-146.1144.2159.9-87.5-160.575.800107.2
179P42.4Very low35.3Very low111 Ų111138.7 Ų138.772%0.72178%0.776SS**  -150.9-176.1115.239.1-22.4000112.9
180P43.4Very low35.6Very low99 Ų99140.1 Ų140.164%0.64377%0.774SS**  cis-128.1-176.3-49.637.6-22.5000112.9
181H34.3Very low36Very low172 Ų172138.6 Ų138.680%0.79677%0.771SS**  trans-58.8165.9173.4-25.5-70.4000112.5
182A38.5Very low37.2Very low90 Ų90132.4 Ų132.474%0.74474%0.741SS**  cis-162-164.122.500000109
183P42.3Very low38Very low122 Ų122127.6 Ų127.679%0.79273%0.734SS**  cis-125.1-171.1-1142.2-26.2000113.7
184H44.5Very low38Very low187 Ų187131.5 Ų131.587%0.86674%0.744SS**  trans-64.5145.6174.2-78.6-93.3000113.3
185S33.6Very low39.2Very low114 Ų114125 Ų12580%0.79772%0.72SS**  trans-124.1156156.6-104.90000110.8
186H34.7Very low41Very low161 Ų161122 Ų12275%0.74570%0.701SS**  trans-60.6159.6-16764.9-70.2000116.6G188H186-G188 PolarHBondContact O-N 3.15Å; H186-G188 VanDerWaalsContact O-N 3.13Å
187L44.2Very low42.5Very low181 Ų181123.8 Ų123.895%0.94869%0.69SS**  trans-66.7100.2158.8-72.5164.6000109.2
188G29.6Very low44.4Very low50 Ų50121.8 Ų121.852%0.51568%0.677SS.*  trans-85140.2161.400000110.1H186H186-G188 PolarHBondContact O-N 3.15Å; H186-G188 VanDerWaalsContact O-N 3.13Å
189A34.7Very low46.4Very low100 Ų100118.4 Ų118.483%0.82666%0.659SS**  trans-65.4144.8163.600000109D191A189-D191 PolarHBondContact O-N 3.43Å
190Q34.9Very low48Very low164 Ų164113.3 Ų113.377%0.76663%0.626SS**  trans-71.283.2167.8-75.8-169.7-69.100109.6H192Q190-H192 PolarHBondContact O-CD2 2.98Å; Q190-H192 PolarHBondContact O-N 3.48Å
191D34.8Very low49.7Very low129 Ų129111.1 Ų111.169%0.6961%0.606SS**  trans-63.1129.1156.5-166.591000108.2A189 G193A189-D191 PolarHBondContact O-N 3.43Å; D191-G193 PolarHBondContact O-N 2.93Å; D191-G193 WeakPolarHBondContact OD2-CA 3.43Å; D191-G193 PolarHBondContact OD2-N 2.93Å
192H52.3Low51.9Low72 Ų72109.8 Ų109.833%0.33360%0.595SS.*THydrogen-bonded Turntrans-86.89.7-175.7-77.8-92.4000112.8Q190 W195 K239Q190-H192 PolarHBondContact O-CD2 2.98Å; Q190-H192 PolarHBondContact O-N 3.48Å; H192-W195 AromaticContact ND1-NE1 3.98Å; H192-K239 PolarHBondContact NE2-NZ 3.3Å
193G46.8Very low53.9Low56 Ų56109.2 Ų109.258%0.57758%0.576SS**THydrogen-bonded Turntrans-75.2-29-179.700000115.5D191D191-G193 PolarHBondContact O-N 2.93Å; D191-G193 WeakPolarHBondContact OD2-CA 3.43Å; D191-G193 PolarHBondContact OD2-N 2.93Å
194E45Very low55.7Low179 Ų179103.4 Ų103.484%0.83654%0.539SS*.  trans-105.734.9-170-64.1-170.8-17200114.9T196E194-T196 PolarHBondContact O-N 2.86Å
195W55Low57.4Low93 Ų9396.9 Ų96.935%0.35251%0.507SS..  trans-71.5108.8158.4-76.275.5000108.2H192 Q200H192-W195 AromaticContact ND1-NE1 3.98Å; W195-Q200 HydrophobicContact CB-CG 4.12Å; W195-Q200 PolarHBondContact O-NE2 2.93Å
196T67.5Low59.5Low65 Ų6597.2 Ų97.240%0.39950%0.496SS..  trans-61.9154.6178.964.80000110.8E194 E198 E199 Q200E194-T196 PolarHBondContact O-N 2.86Å; T196-E198 PolarHBondContact O-N 2.86Å; T196-E199 WeakPolarHBondContact CB-OE2 3.25Å; T196-E199 WeakPolarHBondContact CG2-OE2 3.5Å; T196-E199 PolarHBondContact N-OE2 3.33Å; T196-E199 PolarHBondContact O-N 3.09Å; T196-E199 WeakPolarHBondContact OG1-CB 3.41Å; T196-E199 WeakPolarHBondContact OG1-CG 3.46Å; T196-E199 PolarHBondContact OG1-N 2.92Å; T196-E199 PolarHBondContact OG1-OE2 2.92Å; T196-Q200 WeakPolarHBondContact O-CG 3.36Å; T196-Q200 PolarHBondContact O-N 2.83Å
197Y65.8Low61.3Low126 Ų12692.5 Ų92.549%0.49448%0.476SS..Hα-helixtrans-60.3-43.3179.4-64.5-69.7000110.1E199 Q200 F201 N232 R233Y197-E199 VanDerWaalsContact C-N 3.28Å; Y197-E199 PolarHBondContact O-N 3.39Å; Y197-Q200 WeakPolarHBondContact O-CB 3.16Å; Y197-Q200 PolarHBondContact O-N 3.37Å; Y197-F201 VanDerWaalsContact O-CD2 3.27Å; Y197-F201 WeakPolarHBondContact O-CD2 3.34Å; Y197-F201 PolarHBondContact O-N 3.03Å; Y197-N232 WeakPolarHBondContact CD1-O 3.3Å; Y197-N232 WeakPolarHBondContact CE1-O 3.24Å; Y197-R233 HydrophobicContact CE1-CB 4.16Å; Y197-R233 HydrophobicContact CE1-CG 4.19Å
198E71.1Confident62.4Low126 Ų12688 Ų8859%0.58945%0.452SS*.Hα-helixtrans-57.6-37178.1-65.768.7-155.100112.5T196 R202T196-E198 PolarHBondContact O-N 2.86Å; E198-R202 WeakPolarHBondContact O-CB 3.3Å; E198-R202 PolarHBondContact O-N 3.03Å
199E78.4Confident64.1Low89 Ų8989.4 Ų89.442%0.41647%0.468SS..Hα-helixtrans-73.4-40.1173.2-73.1162.8143.200112.6T196 Y197 R202 Q203T196-E199 WeakPolarHBondContact CB-OE2 3.25Å; T196-E199 WeakPolarHBondContact CG2-OE2 3.5Å; T196-E199 PolarHBondContact N-OE2 3.33Å; T196-E199 PolarHBondContact O-N 3.09Å; T196-E199 WeakPolarHBondContact OG1-CB 3.41Å; T196-E199 WeakPolarHBondContact OG1-CG 3.46Å; T196-E199 PolarHBondContact OG1-N 2.92Å; T196-E199 PolarHBondContact OG1-OE2 2.92Å; Y197-E199 VanDerWaalsContact C-N 3.28Å; Y197-E199 PolarHBondContact O-N 3.39Å; E199-R202 PolarHBondContact O-N 2.87Å; E199-Q203 VanDerWaalsContact O-CB 3.26Å; E199-Q203 WeakPolarHBondContact O-CB 3.5Å; E199-Q203 PolarHBondContact O-N 3.48Å
200Q77.1Confident65.9Low5 Ų588.2 Ų88.22%0.02345%0.447CS..Hα-helixtrans-61-44.7175.2-65.3168.638.500111.3W195 T196 Y197 L204 I234W195-Q200 HydrophobicContact CB-CG 4.12Å; W195-Q200 PolarHBondContact O-NE2 2.93Å; T196-Q200 WeakPolarHBondContact O-CG 3.36Å; T196-Q200 PolarHBondContact O-N 2.83Å; Y197-Q200 WeakPolarHBondContact O-CB 3.16Å; Y197-Q200 PolarHBondContact O-N 3.37Å; Q200-L204 PolarHBondContact O-N 3.36Å; Q200-I234 HydrophobicContact CB-CB 4.37Å; Q200-I234 HydrophobicContact CB-CG1 4.11Å
201F78.3Confident67.8Low52 Ų5284.5 Ų84.523%0.22844%0.437CS..Hα-helixtrans-64.6-49.5173.6-82.4-84.2000111Y197 Q203 L204 Y205 F221 V231 I234Y197-F201 VanDerWaalsContact O-CD2 3.27Å; Y197-F201 WeakPolarHBondContact O-CD2 3.34Å; Y197-F201 PolarHBondContact O-N 3.03Å; F201-Q203 VanDerWaalsContact C-N 3.34Å; F201-Q203 PolarHBondContact O-N 3.46Å; F201-L204 WeakPolarHBondContact O-CB 3.46Å; F201-L204 PolarHBondContact O-N 3.48Å; F201-Y205 HydrophobicContact CB-CE2 4.46Å; F201-Y205 HydrophobicContact CD1-CE2 4.35Å; F201-Y205 WeakPolarHBondContact O-CD2 3.44Å; F201-Y205 PolarHBondContact O-N 2.95Å; F201-F221 HydrophobicContact CD1-CD2 4.32Å; F201-F221 AromaticContact CD1-CE2 3.66Å; F201-F221 HydrophobicContact CD1-CE2 3.66Å; F201-F221 AromaticContact CD1-CZ 3.85Å; F201-F221 HydrophobicContact CD1-CZ 3.85Å; F201-F221 HydrophobicContact CE1-CD1 4.23Å; F201-F221 AromaticContact CE1-CD2 3.9Å; F201-F221 HydrophobicContact CE1-CD2 3.9Å; F201-F221 AromaticContact CE1-CE1 3.87Å; F201-F221 HydrophobicContact CE1-CE1 3.87Å; F201-F221 AromaticContact CE1-CE2 3.5Å; F201-F221 HydrophobicContact CE1-CE2 3.5Å; F201-F221 HydrophobicContact CE1-CG 4.27Å; F201-F221 AromaticContact CE1-CZ 3.48Å; F201-F221 HydrophobicContact CE1-CZ 3.48Å; F201-F221 VanDerWaalsContact CE1-CZ 3.48Å; F201-V231 WeakPolarHBondContact CZ-O 3.23Å; F201-I234 HydrophobicContact CD1-CD1 3.97Å; F201-I234 HydrophobicContact CD2-CD1 4.48Å; F201-I234 HydrophobicContact CD2-CG1 4.44Å; F201-I234 HydrophobicContact CE1-CD1 3.68Å; F201-I234 HydrophobicContact CE2-CD1 4.2Å; F201-I234 HydrophobicContact CE2-CG1 4.44Å; F201-I234 HydrophobicContact CG-CD1 4.36Å; F201-I234 HydrophobicContact CG-CG1 4.47Å; F201-I234 HydrophobicContact CZ-CD1 3.79Å
202R81.1Confident70Confident145 Ų14584.8 Ų84.855%0.54743%0.432SS..Hα-helixtrans-55.7-48.4179.3-173.6-173.4-50.3178.48111.9E198 E199 L204 Y205 E206E198-R202 WeakPolarHBondContact O-CB 3.3Å; E198-R202 PolarHBondContact O-N 3.03Å; E199-R202 PolarHBondContact O-N 2.87Å; R202-L204 PolarHBondContact O-N 2.95Å; R202-Y205 CarbonylContact O-C 3.57Å; R202-Y205 PolarHBondContact O-N 3.28Å; R202-Y205 VanDerWaalsContact O-N 3.07Å; R202-E206 WeakPolarHBondContact CD-OE1 3.31Å; R202-E206 VanDerWaalsContact CG-CD 3.42Å; R202-E206 HydrophobicContact CG-CG 4.26Å; R202-E206 WeakPolarHBondContact CG-OE1 3.48Å; R202-E206 WeakPolarHBondContact O-CB 3.45Å; R202-E206 WeakPolarHBondContact O-CG 3.45Å; R202-E206 PolarHBondContact O-N 3.47Å
203Q79.8Confident71.7Confident78 Ų7881.5 Ų81.536%0.36442%0.417SS..Hα-helixtrans-56.6-38.9177.7-173.264.280.900111.4E199 F201 E206 L207 V241E199-Q203 VanDerWaalsContact O-CB 3.26Å; E199-Q203 WeakPolarHBondContact O-CB 3.5Å; E199-Q203 PolarHBondContact O-N 3.48Å; F201-Q203 VanDerWaalsContact C-N 3.34Å; F201-Q203 PolarHBondContact O-N 3.46Å; Q203-E206 PolarHBondContact O-N 3.41Å; Q203-L207 WeakPolarHBondContact O-CG 3.21Å; Q203-L207 PolarHBondContact O-N 2.89Å; Q203-V241 HydrophobicContact CB-CG2 4.14Å; Q203-V241 HydrophobicContact CG-CB 4.37Å; Q203-V241 HydrophobicContact CG-CG2 3.98Å
204L81.6Confident73.4Confident0 Ų083 Ų830%041%0.407CS..Hα-helixtrans-68-36.4177.1-17071.1000113.1Q200 F201 R202 E206 L207 L217 F221 I234 V241 L242 L244Q200-L204 PolarHBondContact O-N 3.36Å; F201-L204 WeakPolarHBondContact O-CB 3.46Å; F201-L204 PolarHBondContact O-N 3.48Å; R202-L204 PolarHBondContact O-N 2.95Å; L204-E206 VanDerWaalsContact C-N 3.32Å; L204-L207 HydrophobicContact CD1-CD1 4.24Å; L204-L217 HydrophobicContact CD2-CD1 4.04Å; L204-L217 HydrophobicContact CD2-CD2 3.61Å; L204-L217 HydrophobicContact CD2-CG 4.46Å; L204-L217 HydrophobicContact CG-CD1 3.81Å; L204-L217 HydrophobicContact CG-CD2 4.08Å; L204-F221 HydrophobicContact CD2-CE2 4.41Å; L204-F221 HydrophobicContact CD2-CZ 3.76Å; L204-I234 HydrophobicContact CD2-CD1 4.13Å; L204-I234 HydrophobicContact CD2-CG2 4.28Å; L204-V241 HydrophobicContact CB-CG1 4.21Å; L204-V241 HydrophobicContact CD1-CG1 4.14Å; L204-L242 WeakPolarHBondContact CD1-O 3.35Å; L204-L244 HydrophobicContact CD2-CD1 4.23Å; L204-L244 HydrophobicContact CD2-CG 4.45Å
205Y79.7Confident75.5Confident50 Ų5080.4 Ų80.420%0.19640%0.396CS..Hα-helixtrans-77.4-11.4172.7-71.5-76.8000114.3F201 R202 K214 L217 D218 F221F201-Y205 HydrophobicContact CB-CE2 4.46Å; F201-Y205 HydrophobicContact CD1-CE2 4.35Å; F201-Y205 WeakPolarHBondContact O-CD2 3.44Å; F201-Y205 PolarHBondContact O-N 2.95Å; R202-Y205 CarbonylContact O-C 3.57Å; R202-Y205 PolarHBondContact O-N 3.28Å; R202-Y205 VanDerWaalsContact O-N 3.07Å; Y205-K214 HydrophobicContact CD1-CB 4.01Å; Y205-K214 HydrophobicContact CD1-CD 4.2Å; Y205-K214 HydrophobicContact CD1-CG 3.98Å; Y205-K214 HydrophobicContact CE1-CB 4.29Å; Y205-K214 WeakPolarHBondContact O-CE 3.43Å; Y205-K214 PolarHBondContact O-NZ 3.41Å; Y205-L217 HydrophobicContact CD1-CB 4.37Å; Y205-L217 HydrophobicContact CD1-CD1 3.82Å; Y205-L217 HydrophobicContact CE1-CB 3.75Å; Y205-L217 HydrophobicContact CE1-CD1 4.03Å; Y205-L217 HydrophobicContact CG-CD1 4.27Å; Y205-D218 VanDerWaalsContact CE1-OD1 3.27Å; Y205-D218 WeakPolarHBondContact CE1-OD1 3.26Å; Y205-D218 VanDerWaalsContact CZ-OD1 3.28Å; Y205-D218 PolarHBondContact OH-OD1 3.47Å; Y205-F221 HydrophobicContact CE2-CE2 4.39Å
206E77.9Confident77.1Confident120 Ų12076.9 Ų76.956%0.56138%0.383SS*.Hα-helixtrans-113.7-5.8-175.7-71.3177.1-175.600113.9R202 Q203 L204 D208R202-E206 WeakPolarHBondContact CD-OE1 3.31Å; R202-E206 VanDerWaalsContact CG-CD 3.42Å; R202-E206 HydrophobicContact CG-CG 4.26Å; R202-E206 WeakPolarHBondContact CG-OE1 3.48Å; R202-E206 WeakPolarHBondContact O-CB 3.45Å; R202-E206 WeakPolarHBondContact O-CG 3.45Å; R202-E206 PolarHBondContact O-N 3.47Å; Q203-E206 PolarHBondContact O-N 3.41Å; L204-E206 VanDerWaalsContact C-N 3.32Å; E206-D208 VanDerWaalsContact C-N 3.3Å; E206-D208 PolarHBondContact O-N 3.25Å
207L72Confident78.1Confident62 Ų6273.8 Ų73.833%0.32536%0.364SS..SBendtrans-55.9-38.1179.8-92.5164.7000113.8Q203 L204 D243Q203-L207 WeakPolarHBondContact O-CG 3.21Å; Q203-L207 PolarHBondContact O-N 2.89Å; L204-L207 HydrophobicContact CD1-CD1 4.24Å; L207-D243 HydrophobicContact CD1-CB 4.05Å
208D66.5Low79.2Confident86 Ų8671.3 Ų71.346%0.4636%0.359SS..SBendtrans-143151.8164.9-64.9-87.6000110.2E206 D210 R213E206-D208 VanDerWaalsContact C-N 3.3Å; E206-D208 PolarHBondContact O-N 3.25Å; D208-D210 PolarHBondContact O-N 2.89Å; D208-R213 IonicContact OD2-CZ 2.84Å; D208-R213 IonicContact OD2-NH1 2.66Å; D208-R213 PolarHBondContact OD2-NH1 3.38Å; D208-R213 IonicContact OD2-NH2 3.13Å; D208-R213 PolarHBondContact OD2-NH2 2.92Å
209G65.5Low80.1Confident81 Ų8168.1 Ų68.184%0.83535%0.346SS*.  trans-73.516.4179.700000116.3P211G209-P211 WeakPolarHBondContact O-CD 3.41Å
210D72.2Confident80.6Confident74 Ų7463.9 Ų63.940%0.39633%0.326SS..  trans-71117.4-178.5-113.4-20.6000110.5D208 K212 R213D208-D210 PolarHBondContact O-N 2.89Å; D210-K212 VanDerWaalsContact C-N 3.25Å; D210-K212 PolarHBondContact O-N 2.92Å; D210-R213 HydrophobicContact CB-CB 4.23Å; D210-R213 WeakPolarHBondContact O-CB 3.38Å; D210-R213 PolarHBondContact O-N 3.46Å
211P76.4Confident81.1Confident86 Ų8664.9 Ų64.956%0.55833%0.331SS*.Hα-helixtrans-61.7-35.8-177.622.9-32.4000112.3G209 R213 K214 E215G209-P211 WeakPolarHBondContact O-CD 3.41Å; P211-R213 PolarHBondContact O-N 3.29Å; P211-K214 PolarHBondContact O-N 2.84Å; P211-E215 PolarHBondContact O-N 3.39Å
212K80.9Confident81.5Confident136 Ų13665.1 Ų65.159%0.59134%0.339SS*.Hα-helixtrans-62.3-20.4176.5-66.4-179.3178.1178.70114D210 F216D210-K212 VanDerWaalsContact C-N 3.25Å; D210-K212 PolarHBondContact O-N 2.92Å; K212-F216 VanDerWaalsContact O-CB 3.29Å; K212-F216 WeakPolarHBondContact O-CB 3.32Å; K212-F216 PolarHBondContact O-N 3.46Å; K212-F216 VanDerWaalsContact O-N 3.08Å
213R86.4Confident81.9Confident2 Ų259.3 Ų59.31%0.00832%0.317CS..Hα-helixtrans-65.9-43.3173.2-176.2170.4-62.6-151.6-5110.5D208 D210 P211 F216 L217 D243 Y245D208-R213 IonicContact OD2-CZ 2.84Å; D208-R213 IonicContact OD2-NH1 2.66Å; D208-R213 PolarHBondContact OD2-NH1 3.38Å; D208-R213 IonicContact OD2-NH2 3.13Å; D208-R213 PolarHBondContact OD2-NH2 2.92Å; D210-R213 HydrophobicContact CB-CB 4.23Å; D210-R213 WeakPolarHBondContact O-CB 3.38Å; D210-R213 PolarHBondContact O-N 3.46Å; P211-R213 PolarHBondContact O-N 3.29Å; R213-F216 PolarHBondContact O-N 3.14Å; R213-L217 HydrophobicContact CG-CD1 3.98Å; R213-L217 WeakPolarHBondContact O-CB 3.2Å; R213-L217 WeakPolarHBondContact O-CG 3.27Å; R213-L217 PolarHBondContact O-N 3.31Å; R213-D243 IonicContact CZ-OD2 2.77Å; R213-D243 IonicContact NH1-OD2 3.68Å; R213-D243 PolarHBondContact NH1-OD2 3.34Å; R213-D243 IonicContact NH2-OD2 3.99Å; R213-D243 PolarHBondContact NH2-OD2 3.19Å; R213-Y245 HydrophobicContact CB-CD1 3.78Å; R213-Y245 HydrophobicContact CB-CE1 4.01Å; R213-Y245 HydrophobicContact CB-CG 4.28Å; R213-Y245 HydrophobicContact CG-CD1 3.75Å; R213-Y245 HydrophobicContact CG-CE1 4.48Å; R213-Y245 HydrophobicContact CG-CG 4.02Å
214K83.6Confident82.2Confident87 Ų8755.8 Ų55.838%0.37830%0.301SS..Hα-helixtrans-68.9-49.1-177.7-47.5-154178.1-153.60110.4Y205 P211 F216 L217 D218Y205-K214 HydrophobicContact CD1-CB 4.01Å; Y205-K214 HydrophobicContact CD1-CD 4.2Å; Y205-K214 HydrophobicContact CD1-CG 3.98Å; Y205-K214 HydrophobicContact CE1-CB 4.29Å; Y205-K214 WeakPolarHBondContact O-CE 3.43Å; Y205-K214 PolarHBondContact O-NZ 3.41Å; P211-K214 PolarHBondContact O-N 2.84Å; K214-F216 VanDerWaalsContact C-N 3.31Å; K214-F216 PolarHBondContact O-N 3.09Å; K214-L217 PolarHBondContact O-N 3.34Å; K214-L217 VanDerWaalsContact O-N 3.14Å; K214-D218 WeakPolarHBondContact O-CB 3.25Å; K214-D218 PolarHBondContact O-N 3.47Å
215E88.3Confident82.4Confident126 Ų12661.7 Ų61.759%0.58933%0.329SS*.Hα-helixtrans-51.9-46.1173.2-63.4169.3177.400112.6P211 D219P211-E215 PolarHBondContact O-N 3.39Å; E215-D219 WeakPolarHBondContact O-CB 3.47Å; E215-D219 PolarHBondContact O-N 3.41Å; E215-D219 VanDerWaalsContact O-N 3.11Å
216F89.7Confident82.7Confident18 Ų1867.5 Ų67.58%0.07936%0.355CS..Hα-helixtrans-65.5-46177.1169.5-93.4000112.8K212 R213 K214 D218 D219 L220 Y245 Y248 L294 Y297K212-F216 VanDerWaalsContact O-CB 3.29Å; K212-F216 WeakPolarHBondContact O-CB 3.32Å; K212-F216 PolarHBondContact O-N 3.46Å; K212-F216 VanDerWaalsContact O-N 3.08Å; R213-F216 PolarHBondContact O-N 3.14Å; K214-F216 VanDerWaalsContact C-N 3.31Å; K214-F216 PolarHBondContact O-N 3.09Å; F216-D218 VanDerWaalsContact C-N 3.34Å; F216-D219 PolarHBondContact O-N 2.99Å; F216-L220 HydrophobicContact CE1-CB 4.47Å; F216-L220 HydrophobicContact CE1-CD2 3.68Å; F216-L220 HydrophobicContact CZ-CD2 3.92Å; F216-L220 WeakPolarHBondContact O-CB 3.17Å; F216-L220 PolarHBondContact O-N 3.08Å; F216-Y245 HydrophobicContact CB-CD2 3.77Å; F216-Y245 HydrophobicContact CB-CE2 3.98Å; F216-Y245 AromaticContact CD1-CD2 3.45Å; F216-Y245 HydrophobicContact CD1-CD2 3.45Å; F216-Y245 VanDerWaalsContact CD1-CD2 3.45Å; F216-Y245 HydrophobicContact CD1-CE2 4.43Å; F216-Y245 HydrophobicContact CD1-CG 4.07Å; F216-Y245 HydrophobicContact CD2-CD2 4.19Å; F216-Y245 HydrophobicContact CE1-CD2 4.05Å; F216-Y245 AromaticContact CG-CD2 3.53Å; F216-Y245 HydrophobicContact CG-CD2 3.53Å; F216-Y245 HydrophobicContact CG-CE2 4.08Å; F216-Y248 HydrophobicContact CD2-CD1 4.18Å; F216-Y248 HydrophobicContact CD2-CE1 4.42Å; F216-Y248 AromaticContact CE2-CD1 3.28Å; F216-Y248 HydrophobicContact CE2-CD1 3.28Å; F216-Y248 HydrophobicContact CE2-CD2 4.44Å; F216-Y248 AromaticContact CE2-CE1 3.66Å; F216-Y248 HydrophobicContact CE2-CE1 3.66Å; F216-Y248 AromaticContact CE2-CG 3.73Å; F216-Y248 HydrophobicContact CE2-CG 3.73Å; F216-Y248 AromaticContact CZ-CD1 3.63Å; F216-Y248 HydrophobicContact CZ-CD1 3.63Å; F216-Y248 HydrophobicContact CZ-CD2 4.37Å; F216-Y248 HydrophobicContact CZ-CE1 4.4Å; F216-Y248 AromaticContact CZ-CG 3.61Å; F216-Y248 HydrophobicContact CZ-CG 3.61Å; F216-L294 HydrophobicContact CZ-CD2 4.06Å; F216-Y297 HydrophobicContact CD2-CE1 4.25Å; F216-Y297 HydrophobicContact CE2-CD1 4.33Å; F216-Y297 AromaticContact CE2-CE1 3.57Å; F216-Y297 HydrophobicContact CE2-CE1 3.57Å; F216-Y297 AromaticContact CE2-CZ 3.94Å; F216-Y297 HydrophobicContact CZ-CE1 4.4Å
217L88.5Confident82.9Confident0 Ų068.3 Ų68.30%035%0.353CS..Hα-helixtrans-63.9-41.2179.9-72.1172.9000111L204 Y205 R213 K214 L220 F221 L244L204-L217 HydrophobicContact CD2-CD1 4.04Å; L204-L217 HydrophobicContact CD2-CD2 3.61Å; L204-L217 HydrophobicContact CD2-CG 4.46Å; L204-L217 HydrophobicContact CG-CD1 3.81Å; L204-L217 HydrophobicContact CG-CD2 4.08Å; Y205-L217 HydrophobicContact CD1-CB 4.37Å; Y205-L217 HydrophobicContact CD1-CD1 3.82Å; Y205-L217 HydrophobicContact CE1-CB 3.75Å; Y205-L217 HydrophobicContact CE1-CD1 4.03Å; Y205-L217 HydrophobicContact CG-CD1 4.27Å; R213-L217 HydrophobicContact CG-CD1 3.98Å; R213-L217 WeakPolarHBondContact O-CB 3.2Å; R213-L217 WeakPolarHBondContact O-CG 3.27Å; R213-L217 PolarHBondContact O-N 3.31Å; K214-L217 PolarHBondContact O-N 3.34Å; K214-L217 VanDerWaalsContact O-N 3.14Å; L217-L220 PolarHBondContact O-N 3.48Å; L217-F221 HydrophobicContact CB-CD2 4.31Å; L217-F221 HydrophobicContact CB-CE2 3.92Å; L217-F221 HydrophobicContact CD2-CE2 4.26Å; L217-F221 HydrophobicContact CD2-CZ 4.15Å; L217-F221 WeakPolarHBondContact O-CB 3.42Å; L217-F221 WeakPolarHBondContact O-CD2 3.35Å; L217-F221 WeakPolarHBondContact O-CG 3.45Å; L217-F221 PolarHBondContact O-N 3.07Å; L217-L244 HydrophobicContact CD2-CB 4.31Å
218D88.1Confident83.1Confident75 Ų7568.3 Ų68.340%0.40137%0.368SS..Hα-helixtrans-65.2-43.4178.6-65.4-21.6000112.1Y205 K214 F216 S222Y205-D218 VanDerWaalsContact CE1-OD1 3.27Å; Y205-D218 WeakPolarHBondContact CE1-OD1 3.26Å; Y205-D218 VanDerWaalsContact CZ-OD1 3.28Å; Y205-D218 PolarHBondContact OH-OD1 3.47Å; K214-D218 WeakPolarHBondContact O-CB 3.25Å; K214-D218 PolarHBondContact O-N 3.47Å; F216-D218 VanDerWaalsContact C-N 3.34Å; D218-S222 WeakPolarHBondContact O-CB 3.47Å; D218-S222 PolarHBondContact O-N 3.34Å; D218-S222 PolarHBondContact O-OG 3.19Å
219D90.6Very high83.8Confident59 Ų5968.2 Ų68.232%0.31637%0.37SS..Hα-helixtrans-66.4-42.2174.2-175.533.2000111.5E215 F216 S222 F223 Y297 K301E215-D219 WeakPolarHBondContact O-CB 3.47Å; E215-D219 PolarHBondContact O-N 3.41Å; E215-D219 VanDerWaalsContact O-N 3.11Å; F216-D219 PolarHBondContact O-N 2.99Å; D219-S222 PolarHBondContact O-N 3.12Å; D219-F223 WeakPolarHBondContact O-CB 3.37Å; D219-F223 PolarHBondContact O-N 3.46Å; D219-Y297 PolarHBondContact OD2-OH 3.44Å; D219-Y297 VanDerWaalsContact OD2-OH 3.11Å; D219-K301 VanDerWaalsContact CG-NZ 3.26Å; D219-K301 IonicContact OD1-NZ 2.88Å; D219-K301 PolarHBondContact OD1-NZ 2.75Å; D219-K301 VanDerWaalsContact OD1-NZ 3.11Å; D219-K301 IonicContact OD2-NZ 3.31Å; D219-K301 PolarHBondContact OD2-NZ 2.92Å
220L88.8Confident84.4Confident0 Ų066.6 Ų66.60%035%0.345CS..Hα-helixtrans-63-46.3177.6178.266.1000112.6F216 L217 F223 M224 L244 L294 Y297F216-L220 HydrophobicContact CE1-CB 4.47Å; F216-L220 HydrophobicContact CE1-CD2 3.68Å; F216-L220 HydrophobicContact CZ-CD2 3.92Å; F216-L220 WeakPolarHBondContact O-CB 3.17Å; F216-L220 PolarHBondContact O-N 3.08Å; L217-L220 PolarHBondContact O-N 3.48Å; L220-F223 PolarHBondContact O-N 2.98Å; L220-M224 HydrophobicContact CD1-CE 3.72Å; L220-M224 HydrophobicContact CD2-CE 4.17Å; L220-M224 HydrophobicContact CG-CE 3.58Å; L220-M224 PolarHBondContact O-N 3.16Å; L220-L244 HydrophobicContact CD2-CB 4.36Å; L220-L244 HydrophobicContact CD2-CD1 4.31Å; L220-L294 HydrophobicContact CD1-CD2 4.06Å; L220-L294 HydrophobicContact CD2-CD2 3.62Å; L220-Y297 HydrophobicContact CB-CD2 4.49Å; L220-Y297 HydrophobicContact CB-CE2 4.36Å; L220-Y297 HydrophobicContact CD1-CD1 4.19Å; L220-Y297 HydrophobicContact CD1-CD2 3.68Å; L220-Y297 HydrophobicContact CD1-CE2 4.3Å; L220-Y297 HydrophobicContact CD1-CG 3.61Å
221F87.4Confident84.8Confident26 Ų2663.7 Ų63.711%0.11433%0.33CS..Hα-helixtrans-68.7-41.5176-63.6-40.1000111.3F201 L204 Y205 L217 F223 M224 Q225 V231 I234 L244F201-F221 HydrophobicContact CD1-CD2 4.32Å; F201-F221 AromaticContact CD1-CE2 3.66Å; F201-F221 HydrophobicContact CD1-CE2 3.66Å; F201-F221 AromaticContact CD1-CZ 3.85Å; F201-F221 HydrophobicContact CD1-CZ 3.85Å; F201-F221 HydrophobicContact CE1-CD1 4.23Å; F201-F221 AromaticContact CE1-CD2 3.9Å; F201-F221 HydrophobicContact CE1-CD2 3.9Å; F201-F221 AromaticContact CE1-CE1 3.87Å; F201-F221 HydrophobicContact CE1-CE1 3.87Å; F201-F221 AromaticContact CE1-CE2 3.5Å; F201-F221 HydrophobicContact CE1-CE2 3.5Å; F201-F221 HydrophobicContact CE1-CG 4.27Å; F201-F221 AromaticContact CE1-CZ 3.48Å; F201-F221 HydrophobicContact CE1-CZ 3.48Å; F201-F221 VanDerWaalsContact CE1-CZ 3.48Å; L204-F221 HydrophobicContact CD2-CE2 4.41Å; L204-F221 HydrophobicContact CD2-CZ 3.76Å; Y205-F221 HydrophobicContact CE2-CE2 4.39Å; L217-F221 HydrophobicContact CB-CD2 4.31Å; L217-F221 HydrophobicContact CB-CE2 3.92Å; L217-F221 HydrophobicContact CD2-CE2 4.26Å; L217-F221 HydrophobicContact CD2-CZ 4.15Å; L217-F221 WeakPolarHBondContact O-CB 3.42Å; L217-F221 WeakPolarHBondContact O-CD2 3.35Å; L217-F221 WeakPolarHBondContact O-CG 3.45Å; L217-F221 PolarHBondContact O-N 3.07Å; F221-F223 VanDerWaalsContact C-N 3.29Å; F221-F223 PolarHBondContact O-N 3.39Å; F221-M224 HydrophobicContact CD1-CE 4.44Å; F221-M224 PolarHBondContact O-N 3.18Å; F221-Q225 VanDerWaalsContact O-CB 3.31Å; F221-Q225 WeakPolarHBondContact O-CB 3.41Å; F221-Q225 PolarHBondContact O-N 3.49Å; F221-V231 HydrophobicContact CD1-CB 4.03Å; F221-V231 HydrophobicContact CD1-CG1 4.48Å; F221-V231 HydrophobicContact CD1-CG2 3.72Å; F221-V231 HydrophobicContact CE1-CB 4.12Å; F221-V231 HydrophobicContact CE1-CG1 4.07Å; F221-V231 HydrophobicContact CE1-CG2 4.03Å; F221-I234 HydrophobicContact CE1-CD1 4.04Å; F221-I234 HydrophobicContact CZ-CD1 3.84Å; F221-L244 HydrophobicContact CE1-CD1 4.29Å
222S87.4Confident84.6Confident57 Ų5765.4 Ų65.440%0.39934%0.335SS..Hα-helixtrans-59.9-39.3173.8-64.60000112.3D218 D219 K226D218-S222 WeakPolarHBondContact O-CB 3.47Å; D218-S222 PolarHBondContact O-N 3.34Å; D218-S222 PolarHBondContact O-OG 3.19Å; D219-S222 PolarHBondContact O-N 3.12Å; S222-K226 WeakPolarHBondContact O-CB 3.5Å; S222-K226 WeakPolarHBondContact O-CD 3.34Å; S222-K226 WeakPolarHBondContact O-CG 3.43Å; S222-K226 PolarHBondContact O-N 3.02Å
223F88.1Confident84.5Confident22 Ų2265.3 Ų65.310%0.09633%0.331CS..Hα-helixtrans-65.4-49.1176.6176.2-99.1000111.9D219 L220 F221 Q225 K226 R227 P296 Y297 D300D219-F223 WeakPolarHBondContact O-CB 3.37Å; D219-F223 PolarHBondContact O-N 3.46Å; L220-F223 PolarHBondContact O-N 2.98Å; F221-F223 VanDerWaalsContact C-N 3.29Å; F221-F223 PolarHBondContact O-N 3.39Å; F223-Q225 VanDerWaalsContact C-N 3.33Å; F223-Q225 PolarHBondContact O-N 3.41Å; F223-K226 PolarHBondContact O-N 3.23Å; F223-R227 VanDerWaalsContact CE1-CD 3.41Å; F223-R227 VanDerWaalsContact CZ-CD 3.45Å; F223-R227 WeakPolarHBondContact O-CG 3.27Å; F223-R227 PolarHBondContact O-N 3.32Å; F223-P296 HydrophobicContact CE1-CB 4.33Å; F223-P296 WeakPolarHBondContact CE1-O 3.12Å; F223-P296 VanDerWaalsContact CZ-O 3.24Å; F223-P296 WeakPolarHBondContact CZ-O 3.37Å; F223-Y297 HydrophobicContact CB-CD2 4.09Å; F223-Y297 AromaticContact CD1-CD2 3.86Å; F223-Y297 HydrophobicContact CD1-CD2 3.86Å; F223-Y297 HydrophobicContact CD1-CG 4.37Å; F223-Y297 VanDerWaalsContact CE1-CA 3.47Å; F223-Y297 HydrophobicContact CE1-CD2 4.37Å; F223-Y297 AromaticContact CG-CD2 3.93Å; F223-Y297 HydrophobicContact CG-CD2 3.93Å; F223-D300 HydrophobicContact CE2-CB 3.7Å; F223-D300 WeakPolarHBondContact CE2-OD2 3.32Å; F223-D300 HydrophobicContact CZ-CB 3.59Å
224M86.6Confident84.5Confident4 Ų465.3 Ų65.32%0.0233%0.331CS..Hα-helixtrans-64.9-34.9176.7-85.2-170.4-83.600112.9L220 F221 R227 G228 T229 V231 Y293L220-M224 HydrophobicContact CD1-CE 3.72Å; L220-M224 HydrophobicContact CD2-CE 4.17Å; L220-M224 HydrophobicContact CG-CE 3.58Å; L220-M224 PolarHBondContact O-N 3.16Å; F221-M224 HydrophobicContact CD1-CE 4.44Å; F221-M224 PolarHBondContact O-N 3.18Å; M224-R227 PolarHBondContact O-N 3.14Å; M224-G228 PolarHBondContact O-N 3.04Å; M224-T229 WeakPolarHBondContact CB-O 3.33Å; M224-T229 CarbonylContact O-C 3.58Å; M224-T229 PolarHBondContact O-N 3.11Å; M224-T229 PolarHBondContact O-OG1 3.48Å; M224-V231 HydrophobicContact CB-CG2 4.19Å; M224-V231 HydrophobicContact CE-CG2 3.4Å; M224-V231 VanDerWaalsContact CE-CG2 3.4Å; M224-V231 HydrophobicContact SD-CG2 3.5Å; M224-V231 VanDerWaalsContact SD-CG2 3.5Å; M224-Y293 HydrophobicContact CE-CD1 4.24Å; M224-Y293 WeakPolarHBondContact CE-O 3.48Å; M224-Y293 HydrophobicContact SD-CD1 3.75Å; M224-Y293 HydrophobicContact SD-CG 4.48Å
225Q85.9Confident84.6Confident124 Ų12461.7 Ų61.758%0.57932%0.316SS*.Hα-helixtrans-62.8-47.8172.4-166.671.438.700111.6F221 F223 R227 G228F221-Q225 VanDerWaalsContact O-CB 3.31Å; F221-Q225 WeakPolarHBondContact O-CB 3.41Å; F221-Q225 PolarHBondContact O-N 3.49Å; F223-Q225 VanDerWaalsContact C-N 3.33Å; F223-Q225 PolarHBondContact O-N 3.41Å; Q225-R227 PolarHBondContact O-N 3.25Å; Q225-G228 PolarHBondContact O-N 2.96Å; Q225-G228 VanDerWaalsContact O-N 3.1Å
226K86.5Confident84.5Confident173 Ų17359 Ų5975%0.75231%0.305SS*.Hα-helixtrans-61.3-30.2177.1-74.3166.9-174.7175.50113S222 F223 G228S222-K226 WeakPolarHBondContact O-CB 3.5Å; S222-K226 WeakPolarHBondContact O-CD 3.34Å; S222-K226 WeakPolarHBondContact O-CG 3.43Å; S222-K226 PolarHBondContact O-N 3.02Å; F223-K226 PolarHBondContact O-N 3.23Å; K226-G228 VanDerWaalsContact C-N 3.3Å
227R81Confident84.3Confident137 Ų13758.8 Ų58.852%0.51730%0.304SS..THydrogen-bonded Turntrans-83.42.9176.9-70.4-178.264.6147.74.2114.6F223 M224 Q225 T229 P296F223-R227 VanDerWaalsContact CE1-CD 3.41Å; F223-R227 VanDerWaalsContact CZ-CD 3.45Å; F223-R227 WeakPolarHBondContact O-CG 3.27Å; F223-R227 PolarHBondContact O-N 3.32Å; M224-R227 PolarHBondContact O-N 3.14Å; Q225-R227 PolarHBondContact O-N 3.25Å; R227-T229 PolarHBondContact O-N 3.24Å; R227-P296 PolarHBondContact NH1-O 3.16Å
228G77.3Confident84.1Confident62 Ų6261 Ų6164%0.63932%0.322SS*.THydrogen-bonded Turntrans73.810.7-179.500000114.6M224 Q225 K226 P230M224-G228 PolarHBondContact O-N 3.04Å; Q225-G228 PolarHBondContact O-N 2.96Å; Q225-G228 VanDerWaalsContact O-N 3.1Å; K226-G228 VanDerWaalsContact C-N 3.3Å; G228-P230 WeakPolarHBondContact O-CD 3.35Å
229T81.4Confident83.9Confident83 Ų8364.4 Ų64.451%0.50933%0.334SS..  trans-116.265.1178.959.20000110.6M224 R227M224-T229 WeakPolarHBondContact CB-O 3.33Å; M224-T229 CarbonylContact O-C 3.58Å; M224-T229 PolarHBondContact O-N 3.11Å; M224-T229 PolarHBondContact O-OG1 3.48Å; R227-T229 PolarHBondContact O-N 3.24Å
230P77.1Confident83.6Confident47 Ų4767.1 Ų67.131%0.30535%0.345SS..  trans-61145.5-176.227.9-36.8000112.1G228 N232G228-P230 WeakPolarHBondContact O-CD 3.35Å; P230-N232 PolarHBondContact O-N 3.36Å
231V79.8Confident83.5Confident13 Ų1367.9 Ų67.98%0.07935%0.349CS..  trans-80.174.1179.7-172.60000110.1F201 F221 M224 R233 I234 Y293F201-V231 WeakPolarHBondContact CZ-O 3.23Å; F221-V231 HydrophobicContact CD1-CB 4.03Å; F221-V231 HydrophobicContact CD1-CG1 4.48Å; F221-V231 HydrophobicContact CD1-CG2 3.72Å; F221-V231 HydrophobicContact CE1-CB 4.12Å; F221-V231 HydrophobicContact CE1-CG1 4.07Å; F221-V231 HydrophobicContact CE1-CG2 4.03Å; M224-V231 HydrophobicContact CB-CG2 4.19Å; M224-V231 HydrophobicContact CE-CG2 3.4Å; M224-V231 VanDerWaalsContact CE-CG2 3.4Å; M224-V231 HydrophobicContact SD-CG2 3.5Å; M224-V231 VanDerWaalsContact SD-CG2 3.5Å; V231-R233 PolarHBondContact O-N 3Å; V231-R233 VanDerWaalsContact O-N 3.09Å; V231-I234 HydrophobicContact CG1-CD1 3.81Å; V231-Y293 HydrophobicContact CB-CE1 4.41Å; V231-Y293 HydrophobicContact CG1-CD1 4.19Å; V231-Y293 HydrophobicContact CG1-CE1 3.81Å; V231-Y293 HydrophobicContact CG2-CD1 3.99Å; V231-Y293 HydrophobicContact CG2-CE1 4.14Å
232N73.4Confident83.7Confident123 Ų12366.9 Ų66.966%0.65835%0.345SS*.SBendtrans-64.8-11.5-179.2-66.1-17.4000113.9Y197 P230Y197-N232 WeakPolarHBondContact CD1-O 3.3Å; Y197-N232 WeakPolarHBondContact CE1-O 3.24Å; P230-N232 PolarHBondContact O-N 3.36Å
233R78.6Confident83.9Confident134 Ų13465 Ų6551%0.50633%0.331SS..SBendtrans-159.5137174.7-167.7178.3-178.7-179.44.3109.9Y197 V231 Y293Y197-R233 HydrophobicContact CE1-CB 4.16Å; Y197-R233 HydrophobicContact CE1-CG 4.19Å; V231-R233 PolarHBondContact O-N 3Å; V231-R233 VanDerWaalsContact O-N 3.09Å; R233-Y293 PolarHBondContact O-OH 3.16Å
234I85.5Confident84.1Confident1 Ų164 Ų641%0.00533%0.326CS..  trans-78.3139.5172.3-49-59.9000109.2Q200 F201 L204 F221 V231 V241Q200-I234 HydrophobicContact CB-CB 4.37Å; Q200-I234 HydrophobicContact CB-CG1 4.11Å; F201-I234 HydrophobicContact CD1-CD1 3.97Å; F201-I234 HydrophobicContact CD2-CD1 4.48Å; F201-I234 HydrophobicContact CD2-CG1 4.44Å; F201-I234 HydrophobicContact CE1-CD1 3.68Å; F201-I234 HydrophobicContact CE2-CD1 4.2Å; F201-I234 HydrophobicContact CE2-CG1 4.44Å; F201-I234 HydrophobicContact CG-CD1 4.36Å; F201-I234 HydrophobicContact CG-CG1 4.47Å; F201-I234 HydrophobicContact CZ-CD1 3.79Å; L204-I234 HydrophobicContact CD2-CD1 4.13Å; L204-I234 HydrophobicContact CD2-CG2 4.28Å; F221-I234 HydrophobicContact CE1-CD1 4.04Å; F221-I234 HydrophobicContact CZ-CD1 3.84Å; V231-I234 HydrophobicContact CG1-CD1 3.81Å; I234-V241 HydrophobicContact CB-CG1 4.18Å; I234-V241 HydrophobicContact CG2-CG1 3.45Å; I234-V241 VanDerWaalsContact CG2-CG1 3.45Å
235P85.9Confident84.3Confident12 Ų1265.3 Ų65.38%0.07833%0.331CS..  trans-62.2139.4173.8-22.834.7000112.4L242 Q289 Y293P235-L242 HydrophobicContact CB-CB 4.09Å; P235-L242 HydrophobicContact CB-CD2 3.89Å; P235-L242 HydrophobicContact CG-CD2 4.38Å; P235-L242 VanDerWaalsContact O-CB 3.32Å; P235-L242 WeakPolarHBondContact O-CB 3.2Å; P235-L242 PolarHBondContact O-N 3.24Å; P235-Q289 HydrophobicContact CB-CB 4.36Å; P235-Q289 HydrophobicContact CB-CG 3.79Å; P235-Q289 HydrophobicContact CG-CB 4.24Å; P235-Q289 HydrophobicContact CG-CG 4.1Å; P235-Y293 HydrophobicContact CG-CD2 3.8Å; P235-Y293 HydrophobicContact CG-CE2 3.52Å
236I86.8Confident84.6Confident68 Ų6860.8 Ų60.835%0.34931%0.311SS..EExtended strand (participates in β ladder)trans-113.3133.6174.9-63.2173.5000108.1Q240I236-Q240 CarbonylContact C-O 3.56Å; I236-Q240 WeakPolarHBondContact CA-O 3.43Å; I236-Q240 WeakPolarHBondContact CG2-O 3.39Å
237M86.3Confident84.9Confident14 Ų1452.6 Ų52.67%0.06928%0.275CS..EExtended strand (participates in β ladder)trans-141.2139.7178.8-175.5169.6170.800109.4K239 Q240 L275 I279 A282 T285 L286M237-K239 PolarHBondContact O-N 3.35Å; M237-K239 VanDerWaalsContact O-N 3.11Å; M237-Q240 PolarHBondContact N-O 3.09Å; M237-Q240 PolarHBondContact O-N 3.38Å; M237-L275 HydrophobicContact CE-CD1 3.9Å; M237-L275 HydrophobicContact CG-CD1 4.45Å; M237-L275 HydrophobicContact SD-CD1 3.83Å; M237-I279 HydrophobicContact CE-CG2 4.16Å; M237-A282 VanDerWaalsContact CE-CA 3.5Å; M237-A282 HydrophobicContact CE-CB 3.43Å; M237-A282 VanDerWaalsContact CE-CB 3.43Å; M237-T285 HydrophobicContact SD-CG2 4.04Å; M237-L286 HydrophobicContact CE-CD1 4.48Å; M237-L286 HydrophobicContact CE-CD2 4.46Å; M237-L286 HydrophobicContact CE-CG 4.13Å; M237-L286 HydrophobicContact SD-CD2 3.67Å; M237-L286 HydrophobicContact SD-CG 3.89Å
238A84.3Confident85.5Confident46 Ų4647.2 Ų47.238%0.3826%0.255SS..THydrogen-bonded Turntrans55.226-176.600000115.3Q240 L275 I279A238-Q240 VanDerWaalsContact C-N 3.26Å; A238-Q240 PolarHBondContact O-N 3.07Å; A238-L275 HydrophobicContact CB-CD2 4.05Å; A238-I279 HydrophobicContact CB-CD1 3.58Å
239K82.5Confident86.2Confident148 Ų14848.9 Ų48.964%0.64324%0.244SC*.THydrogen-bonded Turntrans66.413.9-168.8-53.7-175.3168.4-153.50115.7H192 M237H192-K239 PolarHBondContact NE2-NZ 3.3Å; M237-K239 PolarHBondContact O-N 3.35Å; M237-K239 VanDerWaalsContact O-N 3.11Å
240Q83.9Confident86.8Confident115 Ų11546.5 Ų46.554%0.53723%0.228SC..EExtended strand (participates in β ladder)trans-116.7156174.5-61-175.2-83.200110.8I236 M237 A238I236-Q240 CarbonylContact C-O 3.56Å; I236-Q240 WeakPolarHBondContact CA-O 3.43Å; I236-Q240 WeakPolarHBondContact CG2-O 3.39Å; M237-Q240 PolarHBondContact N-O 3.09Å; M237-Q240 PolarHBondContact O-N 3.38Å; A238-Q240 VanDerWaalsContact C-N 3.26Å; A238-Q240 PolarHBondContact O-N 3.07Å
241V88.6Confident87.6Confident17 Ų1744.2 Ų44.210%0.10321%0.214CC..EExtended strand (participates in β ladder)trans-67.8130.9172.2-177.50000108.7Q203 L204 I234 D243Q203-V241 HydrophobicContact CB-CG2 4.14Å; Q203-V241 HydrophobicContact CG-CB 4.37Å; Q203-V241 HydrophobicContact CG-CG2 3.98Å; L204-V241 HydrophobicContact CB-CG1 4.21Å; L204-V241 HydrophobicContact CD1-CG1 4.14Å; I234-V241 HydrophobicContact CB-CG1 4.18Å; I234-V241 HydrophobicContact CG2-CG1 3.45Å; I234-V241 VanDerWaalsContact CG2-CG1 3.45Å; V241-D243 PolarHBondContact O-N 2.87Å
242L90.4Very high88.2Confident5 Ų543.8 Ų43.83%0.02621%0.211CC..  trans-71.7117.7-178.7178.760.8000110.6L204 P235 L244 L247 L273 L286 Q289L204-L242 WeakPolarHBondContact CD1-O 3.35Å; P235-L242 HydrophobicContact CB-CB 4.09Å; P235-L242 HydrophobicContact CB-CD2 3.89Å; P235-L242 HydrophobicContact CG-CD2 4.38Å; P235-L242 VanDerWaalsContact O-CB 3.32Å; P235-L242 WeakPolarHBondContact O-CB 3.2Å; P235-L242 PolarHBondContact O-N 3.24Å; L242-L244 HydrophobicContact CD2-CD2 4.34Å; L242-L244 HydrophobicContact CG-CD2 4.36Å; L242-L244 PolarHBondContact O-N 3.04Å; L242-L247 HydrophobicContact CD1-CD2 4.31Å; L242-L247 HydrophobicContact CD2-CD2 3.87Å; L242-L247 HydrophobicContact CG-CD2 4.22Å; L242-L273 HydrophobicContact CD1-CD1 4.37Å; L242-L286 HydrophobicContact CD1-CD2 3.6Å; L242-L286 HydrophobicContact CD2-CD2 4.39Å; L242-Q289 HydrophobicContact CD2-CB 3.75Å; L242-Q289 HydrophobicContact CD2-CG 3.97Å
243D91.6Very high89.2Confident18 Ų1844.6 Ų44.610%0.09621%0.211CC..  trans-66.596.6175.4-170.4-23.7000111L207 R213 V241 Y245 M246 L247L207-D243 HydrophobicContact CD1-CB 4.05Å; R213-D243 IonicContact CZ-OD2 2.77Å; R213-D243 IonicContact NH1-OD2 3.68Å; R213-D243 PolarHBondContact NH1-OD2 3.34Å; R213-D243 IonicContact NH2-OD2 3.99Å; R213-D243 PolarHBondContact NH2-OD2 3.19Å; V241-D243 PolarHBondContact O-N 2.87Å; D243-Y245 VanDerWaalsContact C-N 3.26Å; D243-Y245 PolarHBondContact O-N 3.43Å; D243-Y245 WeakPolarHBondContact OD1-CA 3.36Å; D243-Y245 WeakPolarHBondContact OD1-CB 2.92Å; D243-Y245 PolarHBondContact OD1-N 3.04Å; D243-M246 HydrophobicContact CB-CB 4.26Å; D243-M246 PolarHBondContact OD1-N 3.43Å; D243-M246 WeakPolarHBondContact OD2-CG 3.21Å; D243-L247 WeakPolarHBondContact O-CB 3.48Å; D243-L247 PolarHBondContact O-N 3.18Å
244L91.8Very high89.8Confident0 Ų041.2 Ų41.20%020%0.2CC..Hα-helixtrans-65.2-27.5177.5-59.2-177.2000112.7L204 L217 L220 F221 L242 Y248 L294L204-L244 HydrophobicContact CD2-CD1 4.23Å; L204-L244 HydrophobicContact CD2-CG 4.45Å; L217-L244 HydrophobicContact CD2-CB 4.31Å; L220-L244 HydrophobicContact CD2-CB 4.36Å; L220-L244 HydrophobicContact CD2-CD1 4.31Å; F221-L244 HydrophobicContact CE1-CD1 4.29Å; L242-L244 HydrophobicContact CD2-CD2 4.34Å; L242-L244 HydrophobicContact CG-CD2 4.36Å; L242-L244 PolarHBondContact O-N 3.04Å; L244-Y248 VanDerWaalsContact O-CB 3.25Å; L244-Y248 WeakPolarHBondContact O-CB 3.13Å; L244-Y248 PolarHBondContact O-N 3.38Å; L244-L294 HydrophobicContact CB-CD2 4.4Å
245Y91.6Very high90Very high31 Ų3142.9 Ų42.912%0.12222%0.217CC..Hα-helixtrans-78.6-46.4-178.5175.6-120.2000111.9R213 F216 D243 K249R213-Y245 HydrophobicContact CB-CD1 3.78Å; R213-Y245 HydrophobicContact CB-CE1 4.01Å; R213-Y245 HydrophobicContact CB-CG 4.28Å; R213-Y245 HydrophobicContact CG-CD1 3.75Å; R213-Y245 HydrophobicContact CG-CE1 4.48Å; R213-Y245 HydrophobicContact CG-CG 4.02Å; F216-Y245 HydrophobicContact CB-CD2 3.77Å; F216-Y245 HydrophobicContact CB-CE2 3.98Å; F216-Y245 AromaticContact CD1-CD2 3.45Å; F216-Y245 HydrophobicContact CD1-CD2 3.45Å; F216-Y245 VanDerWaalsContact CD1-CD2 3.45Å; F216-Y245 HydrophobicContact CD1-CE2 4.43Å; F216-Y245 HydrophobicContact CD1-CG 4.07Å; F216-Y245 HydrophobicContact CD2-CD2 4.19Å; F216-Y245 HydrophobicContact CE1-CD2 4.05Å; F216-Y245 AromaticContact CG-CD2 3.53Å; F216-Y245 HydrophobicContact CG-CD2 3.53Å; F216-Y245 HydrophobicContact CG-CE2 4.08Å; D243-Y245 VanDerWaalsContact C-N 3.26Å; D243-Y245 PolarHBondContact O-N 3.43Å; D243-Y245 WeakPolarHBondContact OD1-CA 3.36Å; D243-Y245 WeakPolarHBondContact OD1-CB 2.92Å; D243-Y245 PolarHBondContact OD1-N 3.04Å; Y245-K249 VanDerWaalsContact O-CB 3.27Å; Y245-K249 WeakPolarHBondContact O-CB 3.46Å; Y245-K249 PolarHBondContact O-N 2.99Å
246M91.8Very high90.3Very high30 Ų3042.3 Ų42.315%0.14821%0.213CC..Hα-helixtrans-68.5-37.5171.4-73.7-58.2102.400111.8D243 Y248 K249 L250 L273D243-M246 HydrophobicContact CB-CB 4.26Å; D243-M246 PolarHBondContact OD1-N 3.43Å; D243-M246 WeakPolarHBondContact OD2-CG 3.21Å; M246-Y248 PolarHBondContact O-N 2.86Å; M246-K249 HydrophobicContact CE-CB 4.37Å; M246-K249 HydrophobicContact CE-CD 3.5Å; M246-K249 VanDerWaalsContact CE-CD 3.5Å; M246-K249 PolarHBondContact O-N 3Å; M246-K249 HydrophobicContact SD-CD 3.92Å; M246-L250 HydrophobicContact CB-CD1 4.47Å; M246-L250 VanDerWaalsContact O-CB 3.26Å; M246-L250 WeakPolarHBondContact O-CB 3.47Å; M246-L250 WeakPolarHBondContact O-CD1 3.08Å; M246-L250 WeakPolarHBondContact O-CG 3.41Å; M246-L250 PolarHBondContact O-N 2.6Å; M246-L273 HydrophobicContact CB-CD2 3.72Å
247L93.4Very high90.6Very high0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-62.4-44.1176.3172.558.8000111.1L242 D243 V251 I269 L273 L286 Y290 L294L242-L247 HydrophobicContact CD1-CD2 4.31Å; L242-L247 HydrophobicContact CD2-CD2 3.87Å; L242-L247 HydrophobicContact CG-CD2 4.22Å; D243-L247 WeakPolarHBondContact O-CB 3.48Å; D243-L247 PolarHBondContact O-N 3.18Å; L247-V251 HydrophobicContact CD1-CG2 4.21Å; L247-V251 PolarHBondContact O-N 2.86Å; L247-I269 HydrophobicContact CD1-CG2 3.91Å; L247-L273 HydrophobicContact CB-CD1 4.28Å; L247-L273 HydrophobicContact CB-CD2 4.12Å; L247-L273 HydrophobicContact CD1-CD1 4.12Å; L247-L286 HydrophobicContact CD1-CD2 4.37Å; L247-L286 HydrophobicContact CD2-CD2 4.35Å; L247-Y290 HydrophobicContact CD1-CD2 3.95Å; L247-Y290 HydrophobicContact CD2-CD2 4.21Å; L247-Y290 HydrophobicContact CG-CD2 3.78Å; L247-Y290 HydrophobicContact CG-CE2 4.43Å; L247-L294 HydrophobicContact CB-CD1 4.13Å; L247-L294 HydrophobicContact CD2-CD1 3.8Å; L247-L294 HydrophobicContact CG-CD1 3.7Å
248Y93.6Very high90.9Very high25 Ų2539 Ų3910%0.09820%0.197CC..Hα-helixtrans-57.3-66.2170.4-179.1-110.4000110.4F216 L244 M246 L250 V251 T252 L294 Y297 E298F216-Y248 HydrophobicContact CD2-CD1 4.18Å; F216-Y248 HydrophobicContact CD2-CE1 4.42Å; F216-Y248 AromaticContact CE2-CD1 3.28Å; F216-Y248 HydrophobicContact CE2-CD1 3.28Å; F216-Y248 HydrophobicContact CE2-CD2 4.44Å; F216-Y248 AromaticContact CE2-CE1 3.66Å; F216-Y248 HydrophobicContact CE2-CE1 3.66Å; F216-Y248 AromaticContact CE2-CG 3.73Å; F216-Y248 HydrophobicContact CE2-CG 3.73Å; F216-Y248 AromaticContact CZ-CD1 3.63Å; F216-Y248 HydrophobicContact CZ-CD1 3.63Å; F216-Y248 HydrophobicContact CZ-CD2 4.37Å; F216-Y248 HydrophobicContact CZ-CE1 4.4Å; F216-Y248 AromaticContact CZ-CG 3.61Å; F216-Y248 HydrophobicContact CZ-CG 3.61Å; L244-Y248 VanDerWaalsContact O-CB 3.25Å; L244-Y248 WeakPolarHBondContact O-CB 3.13Å; L244-Y248 PolarHBondContact O-N 3.38Å; M246-Y248 PolarHBondContact O-N 2.86Å; Y248-L250 PolarHBondContact O-N 2.86Å; Y248-V251 PolarHBondContact O-N 3.49Å; Y248-V251 VanDerWaalsContact O-N 3.15Å; Y248-T252 WeakPolarHBondContact CD2-OG1 3.11Å; Y248-T252 HydrophobicContact CE2-CG2 4.27Å; Y248-T252 WeakPolarHBondContact CE2-OG1 3.39Å; Y248-T252 PolarHBondContact O-N 2.99Å; Y248-T252 PolarHBondContact O-OG1 3.35Å; Y248-L294 HydrophobicContact CD2-CD2 4.48Å; Y248-Y297 HydrophobicContact CE1-CE1 4.26Å; Y248-Y297 AromaticContact CE2-CD1 3.99Å; Y248-Y297 HydrophobicContact CE2-CD1 3.99Å; Y248-Y297 HydrophobicContact CE2-CE1 4.2Å; Y248-Y297 AromaticContact CZ-CE1 3.9Å; Y248-E298 HydrophobicContact CE2-CB 4.13Å; Y248-E298 HydrophobicContact CE2-CG 4.42Å
249K92.3Very high91.4Very high97 Ų9739.7 Ų39.742%0.42219%0.193SC..Hα-helixtrans-45.8-47.4-176.2-177.5-174.1173.5-171.10112.6Y245 M246 E253Y245-K249 VanDerWaalsContact O-CB 3.27Å; Y245-K249 WeakPolarHBondContact O-CB 3.46Å; Y245-K249 PolarHBondContact O-N 2.99Å; M246-K249 HydrophobicContact CE-CB 4.37Å; M246-K249 HydrophobicContact CE-CD 3.5Å; M246-K249 VanDerWaalsContact CE-CD 3.5Å; M246-K249 PolarHBondContact O-N 3Å; M246-K249 HydrophobicContact SD-CD 3.92Å; K249-E253 WeakPolarHBondContact O-CB 3Å; K249-E253 PolarHBondContact O-N 3.33Å
250L94.1Very high92Very high32 Ų3232.7 Ų32.717%0.16816%0.162CC..Hα-helixtrans-65.4-50.7-177.3-70.7167.4000112.9M246 Y248 T252 E253 K254 I269 G272 L273M246-L250 HydrophobicContact CB-CD1 4.47Å; M246-L250 VanDerWaalsContact O-CB 3.26Å; M246-L250 WeakPolarHBondContact O-CB 3.47Å; M246-L250 WeakPolarHBondContact O-CD1 3.08Å; M246-L250 WeakPolarHBondContact O-CG 3.41Å; M246-L250 PolarHBondContact O-N 2.6Å; Y248-L250 PolarHBondContact O-N 2.86Å; L250-T252 VanDerWaalsContact C-N 3.34Å; L250-T252 PolarHBondContact O-N 2.89Å; L250-E253 PolarHBondContact O-N 3.42Å; L250-K254 WeakPolarHBondContact O-CG 3.34Å; L250-K254 PolarHBondContact O-N 2.64Å; L250-I269 HydrophobicContact CB-CD1 3.88Å; L250-G272 VanDerWaalsContact CD1-C 3.49Å; L250-L273 HydrophobicContact CD1-CD2 4.01Å; L250-L273 HydrophobicContact CD1-CG 4Å
251V94.1Very high92.4Very high0 Ų027.2 Ų27.20%014%0.137CC..Hα-helixtrans-69.8-35.9179.486.70000111.2L247 Y248 E253 K254 G255 G256 V260 W266 I269 Y290L247-V251 HydrophobicContact CD1-CG2 4.21Å; L247-V251 PolarHBondContact O-N 2.86Å; Y248-V251 PolarHBondContact O-N 3.49Å; Y248-V251 VanDerWaalsContact O-N 3.15Å; V251-E253 VanDerWaalsContact C-N 3.26Å; V251-E253 PolarHBondContact O-N 3.09Å; V251-K254 CarbonylContact O-C 3.57Å; V251-K254 WeakPolarHBondContact O-CA 3.36Å; V251-K254 PolarHBondContact O-N 3.38Å; V251-G255 PolarHBondContact O-N 3.32Å; V251-G256 WeakPolarHBondContact O-CA 3.46Å; V251-G256 PolarHBondContact O-N 2.98Å; V251-V260 HydrophobicContact CB-CG2 3.76Å; V251-V260 HydrophobicContact CG2-CG2 4.17Å; V251-W266 HydrophobicContact CG2-CZ3 4.48Å; V251-I269 HydrophobicContact CG2-CD1 3.96Å; V251-I269 HydrophobicContact CG2-CG1 4.19Å; V251-I269 HydrophobicContact CG2-CG2 4.32Å; V251-Y290 HydrophobicContact CB-CE2 4.25Å; V251-Y290 HydrophobicContact CG1-CD2 3.97Å; V251-Y290 HydrophobicContact CG1-CE1 4.16Å; V251-Y290 HydrophobicContact CG1-CE2 3.16Å; V251-Y290 WeakPolarHBondContact CG1-OH 3.24Å; V251-Y290 HydrophobicContact CG2-CD2 4.16Å; V251-Y290 HydrophobicContact CG2-CE2 4.08Å
252T92.1Very high92.6Very high4 Ų430.2 Ų30.23%0.02515%0.152CC..Hα-helixtrans-75.7-15.1-178.4-21.90000113.1Y248 L250 E298 R302 L304Y248-T252 WeakPolarHBondContact CD2-OG1 3.11Å; Y248-T252 HydrophobicContact CE2-CG2 4.27Å; Y248-T252 WeakPolarHBondContact CE2-OG1 3.39Å; Y248-T252 PolarHBondContact O-N 2.99Å; Y248-T252 PolarHBondContact O-OG1 3.35Å; L250-T252 VanDerWaalsContact C-N 3.34Å; L250-T252 PolarHBondContact O-N 2.89Å; T252-E298 HydrophobicContact CG2-CG 4.25Å; T252-R302 VanDerWaalsContact CG2-CZ 3.44Å; T252-R302 VanDerWaalsContact CG2-NH1 3.26Å; T252-R302 PolarHBondContact O-NH1 3.2Å; T252-R302 PolarHBondContact O-NH2 2.84Å; T252-L304 HydrophobicContact CG2-CD1 3.45Å; T252-L304 VanDerWaalsContact CG2-CD1 3.45Å
253E93.6Very high92.7Very high139 Ų13936 Ų3665%0.6518%0.177SC*.Hα-helixtrans-78.1-32.4163.5-175.8175.6166.200111.7K249 L250 V251 G255K249-E253 WeakPolarHBondContact O-CB 3Å; K249-E253 PolarHBondContact O-N 3.33Å; L250-E253 PolarHBondContact O-N 3.42Å; V251-E253 VanDerWaalsContact C-N 3.26Å; V251-E253 PolarHBondContact O-N 3.09Å; E253-G255 VanDerWaalsContact C-N 3.28Å; E253-G255 PolarHBondContact O-N 2.84Å
254K91.9Very high92.8Very high63 Ų6340.6 Ų40.627%0.27420%0.196SC..THydrogen-bonded Turntrans-80.31.5174.3-60.8-56.5177.3169.10115.1L250 V251 E259 V260 L265 E268 I269L250-K254 WeakPolarHBondContact O-CG 3.34Å; L250-K254 PolarHBondContact O-N 2.64Å; V251-K254 CarbonylContact O-C 3.57Å; V251-K254 WeakPolarHBondContact O-CA 3.36Å; V251-K254 PolarHBondContact O-N 3.38Å; K254-E259 WeakPolarHBondContact O-CG 3.33Å; K254-V260 HydrophobicContact CB-CG2 3.68Å; K254-V260 HydrophobicContact CG-CG2 4.33Å; K254-L265 HydrophobicContact CB-CD1 3.94Å; K254-L265 HydrophobicContact CD-CD1 4.2Å; K254-L265 HydrophobicContact CG-CD1 4.1Å; K254-E268 VanDerWaalsContact CE-CD 3.46Å; K254-E268 WeakPolarHBondContact CE-OE1 3.32Å; K254-E268 WeakPolarHBondContact CE-OE2 3.49Å; K254-E268 IonicContact NZ-OE1 2.66Å; K254-E268 PolarHBondContact NZ-OE1 3.01Å; K254-E268 IonicContact NZ-OE2 3.75Å; K254-E268 PolarHBondContact NZ-OE2 3.32Å; K254-I269 HydrophobicContact CG-CD1 4.18Å
255G89.6Confident92.9Very high36 Ų3642.4 Ų42.437%0.37121%0.206SC..THydrogen-bonded Turntrans1025.6178.600000115.3V251 E253V251-G255 PolarHBondContact O-N 3.32Å; E253-G255 VanDerWaalsContact C-N 3.28Å; E253-G255 PolarHBondContact O-N 2.84Å
256G92.6Very high93Very high0 Ų041.6 Ų41.60%020%0.202CC..  trans108.7177173.700000114.8V251 V258 E259 V260 E298V251-G256 WeakPolarHBondContact O-CA 3.46Å; V251-G256 PolarHBondContact O-N 2.98Å; G256-V258 PolarHBondContact O-N 3.15Å; G256-E259 PolarHBondContact O-N 3.42Å; G256-V260 PolarHBondContact O-N 3.15Å; G256-V260 VanDerWaalsContact O-N 3.1Å; G256-E298 WeakPolarHBondContact CA-OE1 3.44Å
257L92.5Very high93Very high0 Ų050.2 Ų50.20%023%0.233CC..Hα-helixtrans-56.8-46.5-175178.863.2000112.9E259 V260 I261 W266 R287 Y290 M291 Y295 E298 L310L257-E259 VanDerWaalsContact C-N 3.31Å; L257-E259 PolarHBondContact O-N 2.96Å; L257-V260 PolarHBondContact O-N 3.43Å; L257-I261 HydrophobicContact CD1-CD1 4.16Å; L257-I261 HydrophobicContact CG-CD1 4.03Å; L257-I261 WeakPolarHBondContact O-CG1 3.42Å; L257-I261 PolarHBondContact O-N 3.14Å; L257-I261 VanDerWaalsContact O-N 3.12Å; L257-W266 HydrophobicContact CD1-CH2 3.57Å; L257-W266 HydrophobicContact CD1-CZ2 3.65Å; L257-R287 HydrophobicContact CD1-CG 4.49Å; L257-Y290 HydrophobicContact CB-CD1 4.05Å; L257-Y290 HydrophobicContact CB-CE1 3.89Å; L257-Y290 HydrophobicContact CD1-CD1 3.75Å; L257-Y290 HydrophobicContact CD1-CE1 4.41Å; L257-Y290 HydrophobicContact CD1-CG 4.05Å; L257-Y290 HydrophobicContact CD2-CD1 3.89Å; L257-Y290 HydrophobicContact CD2-CE1 4.4Å; L257-Y290 HydrophobicContact CG-CD1 4.1Å; L257-Y290 HydrophobicContact CG-CE1 4.45Å; L257-M291 HydrophobicContact CD2-CB 4.34Å; L257-M291 HydrophobicContact CD2-CG 4.46Å; L257-Y295 HydrophobicContact CB-CD2 4.12Å; L257-Y295 HydrophobicContact CD2-CD2 3.7Å; L257-Y295 HydrophobicContact CD2-CE2 4.4Å; L257-Y295 HydrophobicContact CD2-CG 3.93Å; L257-E298 PolarHBondContact N-OE1 3.28Å; L257-L310 HydrophobicContact CD2-CD1 3.57Å; L257-L310 HydrophobicContact CD2-CD2 3.78Å; L257-L310 HydrophobicContact CD2-CG 4.35Å; L257-L310 HydrophobicContact CG-CD1 3.87Å
258V92.9Very high93Very high13 Ų1354.4 Ų54.48%0.07925%0.253CS..Hα-helixtrans-61.6-42.3-178.3174.50000110.9G256 I261 N262 S305 E309 L310 A313G256-V258 PolarHBondContact O-N 3.15Å; V258-I261 PolarHBondContact O-N 3.02Å; V258-N262 WeakPolarHBondContact O-CB 3.42Å; V258-N262 PolarHBondContact O-N 3.42Å; V258-N262 PolarHBondContact O-ND2 3.09Å; V258-S305 WeakPolarHBondContact CB-OG 3.22Å; V258-S305 VanDerWaalsContact CG2-CB 3.46Å; V258-S305 WeakPolarHBondContact CG2-OG 3.49Å; V258-E309 HydrophobicContact CG1-CB 4.4Å; V258-E309 HydrophobicContact CG2-CB 4.48Å; V258-L310 HydrophobicContact CG2-CB 3.88Å; V258-L310 HydrophobicContact CG2-CD1 4.11Å; V258-A313 HydrophobicContact CG1-CB 4Å
259E94.1Very high93.1Very high61 Ų6153.3 Ų53.329%0.28525%0.249SC..Hα-helixtrans-71.5-35.5-176.6-167.464.817200112.2K254 G256 L257 I261 N262 K263K254-E259 WeakPolarHBondContact O-CG 3.33Å; G256-E259 PolarHBondContact O-N 3.42Å; L257-E259 VanDerWaalsContact C-N 3.31Å; L257-E259 PolarHBondContact O-N 2.96Å; E259-I261 VanDerWaalsContact C-N 3.34Å; E259-N262 PolarHBondContact O-N 3.42Å; E259-K263 HydrophobicContact CG-CD 4.14Å; E259-K263 WeakPolarHBondContact O-CB 3.39Å; E259-K263 PolarHBondContact O-N 2.9Å; E259-K263 WeakPolarHBondContact OE1-CE 3.4Å; E259-K263 IonicContact OE1-NZ 2.61Å; E259-K263 PolarHBondContact OE1-NZ 3.36Å
260V94.9Very high93.1Very high0 Ų049.1 Ų49.10%023%0.231CC..Hα-helixtrans-65.2-35.1170.9167.50000112.3V251 K254 G256 L257 K264 L265 W266 I269V251-V260 HydrophobicContact CB-CG2 3.76Å; V251-V260 HydrophobicContact CG2-CG2 4.17Å; K254-V260 HydrophobicContact CB-CG2 3.68Å; K254-V260 HydrophobicContact CG-CG2 4.33Å; G256-V260 PolarHBondContact O-N 3.15Å; G256-V260 VanDerWaalsContact O-N 3.1Å; L257-V260 PolarHBondContact O-N 3.43Å; V260-K264 CarbonylContact O-C 3.36Å; V260-K264 PolarHBondContact O-N 2.94Å; V260-L265 HydrophobicContact CB-CB 4.41Å; V260-L265 HydrophobicContact CG1-CB 4.11Å; V260-L265 HydrophobicContact CG2-CB 4.28Å; V260-L265 HydrophobicContact CG2-CD1 4.4Å; V260-L265 PolarHBondContact O-N 3.48Å; V260-W266 HydrophobicContact CG1-CD2 3.67Å; V260-W266 HydrophobicContact CG1-CE3 3.97Å; V260-W266 HydrophobicContact CG1-CG 4.14Å; V260-W266 HydrophobicContact CG1-CH2 4.07Å; V260-W266 HydrophobicContact CG1-CZ2 3.79Å; V260-W266 HydrophobicContact CG1-CZ3 4.15Å; V260-I269 HydrophobicContact CG1-CG1 3.97Å; V260-I269 HydrophobicContact CG2-CD1 4.24Å; V260-I269 HydrophobicContact CG2-CG1 4.44Å
261I92.3Very high93Very high1 Ų154.4 Ų54.41%0.00525%0.253CS..Hα-helixtrans-69.2-51.2174-65.7165000110.6L257 V258 E259 K263 K264 W266 R287 L310 A313 I314 N317L257-I261 HydrophobicContact CD1-CD1 4.16Å; L257-I261 HydrophobicContact CG-CD1 4.03Å; L257-I261 WeakPolarHBondContact O-CG1 3.42Å; L257-I261 PolarHBondContact O-N 3.14Å; L257-I261 VanDerWaalsContact O-N 3.12Å; V258-I261 PolarHBondContact O-N 3.02Å; E259-I261 VanDerWaalsContact C-N 3.34Å; I261-K263 PolarHBondContact O-N 3.07Å; I261-K264 PolarHBondContact O-N 2.93Å; I261-K264 VanDerWaalsContact O-N 3.12Å; I261-W266 HydrophobicContact CG1-CZ2 3.89Å; I261-R287 HydrophobicContact CD1-CG 4.16Å; I261-L310 HydrophobicContact CD1-CD1 3.53Å; I261-A313 HydrophobicContact CB-CB 4.3Å; I261-A313 HydrophobicContact CG2-CB 3.91Å; I261-A313 WeakPolarHBondContact CG2-O 3.47Å; I261-I314 HydrophobicContact CD1-CG1 4.24Å; I261-N317 HydrophobicContact CG2-CB 4.16Å
262N93Very high92.8Very high80 Ų8056 Ų5643%0.42827%0.269SS..Hα-helixtrans-59.1-47.8-178.6-75.3-23.5000112.4V258 E259 K264 A313V258-N262 WeakPolarHBondContact O-CB 3.42Å; V258-N262 PolarHBondContact O-N 3.42Å; V258-N262 PolarHBondContact O-ND2 3.09Å; E259-N262 PolarHBondContact O-N 3.42Å; N262-K264 VanDerWaalsContact C-N 3.25Å; N262-K264 PolarHBondContact O-N 3.11Å; N262-A313 VanDerWaalsContact OD1-CB 3.22Å; N262-A313 WeakPolarHBondContact OD1-CB 3.48Å
263K93.9Very high92.7Very high126 Ų12656.9 Ų56.955%0.54827%0.274SS..THydrogen-bonded Turntrans-82.96.3178.6-71.5172.7170.11580113.8E259 I261 L265E259-K263 HydrophobicContact CG-CD 4.14Å; E259-K263 WeakPolarHBondContact O-CB 3.39Å; E259-K263 PolarHBondContact O-N 2.9Å; E259-K263 WeakPolarHBondContact OE1-CE 3.4Å; E259-K263 IonicContact OE1-NZ 2.61Å; E259-K263 PolarHBondContact OE1-NZ 3.36Å; I261-K263 PolarHBondContact O-N 3.07Å; K263-L265 HydrophobicContact CB-CD1 3.81Å; K263-L265 HydrophobicContact CB-CD2 4.13Å; K263-L265 HydrophobicContact CB-CG 3.58Å; K263-L265 HydrophobicContact CD-CD1 4.17Å; K263-L265 PolarHBondContact O-N 2.91Å; K263-L265 VanDerWaalsContact O-N 3.16Å
264K92.6Very high92.4Very high114 Ų11457.2 Ų57.250%0.49628%0.28SS..THydrogen-bonded Turntrans52.631.7-178.7-55.8-179.4-176.7175.90113.5V260 I261 N262 W266 E320V260-K264 CarbonylContact O-C 3.36Å; V260-K264 PolarHBondContact O-N 2.94Å; I261-K264 PolarHBondContact O-N 2.93Å; I261-K264 VanDerWaalsContact O-N 3.12Å; N262-K264 VanDerWaalsContact C-N 3.25Å; N262-K264 PolarHBondContact O-N 3.11Å; K264-W266 PolarHBondContact O-N 2.8Å; K264-W266 VanDerWaalsContact O-N 3.14Å; K264-E320 IonicContact NZ-OE1 2.73Å; K264-E320 PolarHBondContact NZ-OE1 2.85Å
265L94.3Very high92.3Very high39 Ų3955 Ų5520%0.20427%0.271CS..THydrogen-bonded Turntrans-75.20.2-169.1-63.8174.4000115.1K254 V260 K263 R267 E268 I269K254-L265 HydrophobicContact CB-CD1 3.94Å; K254-L265 HydrophobicContact CD-CD1 4.2Å; K254-L265 HydrophobicContact CG-CD1 4.1Å; V260-L265 HydrophobicContact CB-CB 4.41Å; V260-L265 HydrophobicContact CG1-CB 4.11Å; V260-L265 HydrophobicContact CG2-CB 4.28Å; V260-L265 HydrophobicContact CG2-CD1 4.4Å; V260-L265 PolarHBondContact O-N 3.48Å; K263-L265 HydrophobicContact CB-CD1 3.81Å; K263-L265 HydrophobicContact CB-CD2 4.13Å; K263-L265 HydrophobicContact CB-CG 3.58Å; K263-L265 HydrophobicContact CD-CD1 4.17Å; K263-L265 PolarHBondContact O-N 2.91Å; K263-L265 VanDerWaalsContact O-N 3.16Å; L265-R267 PolarHBondContact O-N 3.28Å; L265-E268 WeakPolarHBondContact O-CA 3.48Å; L265-E268 WeakPolarHBondContact O-CB 3.19Å; L265-E268 PolarHBondContact O-N 3.27Å; L265-I269 PolarHBondContact O-N 3.11Å; L265-I269 VanDerWaalsContact O-N 3.14Å
266W93.3Very high92.2Very high14 Ų1456.2 Ų56.25%0.05327%0.272CS..Hα-helixtrans-52.7-31.3179.9-66.5109.9000114.6V251 L257 V260 I261 K264 E268 I269 T270 A283 L286 R287V251-W266 HydrophobicContact CG2-CZ3 4.48Å; L257-W266 HydrophobicContact CD1-CH2 3.57Å; L257-W266 HydrophobicContact CD1-CZ2 3.65Å; V260-W266 HydrophobicContact CG1-CD2 3.67Å; V260-W266 HydrophobicContact CG1-CE3 3.97Å; V260-W266 HydrophobicContact CG1-CG 4.14Å; V260-W266 HydrophobicContact CG1-CH2 4.07Å; V260-W266 HydrophobicContact CG1-CZ2 3.79Å; V260-W266 HydrophobicContact CG1-CZ3 4.15Å; I261-W266 HydrophobicContact CG1-CZ2 3.89Å; K264-W266 PolarHBondContact O-N 2.8Å; K264-W266 VanDerWaalsContact O-N 3.14Å; W266-E268 VanDerWaalsContact C-N 3.28Å; W266-E268 PolarHBondContact O-N 3.49Å; W266-I269 HydrophobicContact CE3-CB 4.49Å; W266-I269 HydrophobicContact CE3-CG1 4.49Å; W266-I269 PolarHBondContact O-N 3.42Å; W266-T270 WeakPolarHBondContact O-CB 3.37Å; W266-T270 PolarHBondContact O-N 2.78Å; W266-T270 PolarHBondContact O-OG1 3.42Å; W266-A283 HydrophobicContact CB-CB 3.47Å; W266-A283 VanDerWaalsContact CB-CB 3.47Å; W266-A283 HydrophobicContact CG-CB 3.75Å; W266-L286 HydrophobicContact CE3-CB 3.87Å; W266-L286 HydrophobicContact CZ3-CB 3.74Å; W266-R287 HydrophobicContact CH2-CB 3.88Å; W266-R287 HydrophobicContact CH2-CG 4.41Å; W266-R287 HydrophobicContact CZ2-CB 3.56Å; W266-R287 HydrophobicContact CZ2-CG 3.84Å
267R91.9Very high91.9Very high211 Ų21160.9 Ų60.980%0.79630%0.301SS*.Hα-helixtrans-67.5-25.4173.9-71.8-175.3179.4-109.35.1113.5L265 K271L265-R267 PolarHBondContact O-N 3.28Å; R267-K271 WeakPolarHBondContact O-CG 3.01Å
268E94Very high91.6Very high88 Ų8865.6 Ų65.641%0.41133%0.334SS..Hα-helixtrans-81.3-45.4172.7-164.2-176.5-176.500110.7K254 L265 W266 T270 K271 G272K254-E268 VanDerWaalsContact CE-CD 3.46Å; K254-E268 WeakPolarHBondContact CE-OE1 3.32Å; K254-E268 WeakPolarHBondContact CE-OE2 3.49Å; K254-E268 IonicContact NZ-OE1 2.66Å; K254-E268 PolarHBondContact NZ-OE1 3.01Å; K254-E268 IonicContact NZ-OE2 3.75Å; K254-E268 PolarHBondContact NZ-OE2 3.32Å; L265-E268 WeakPolarHBondContact O-CA 3.48Å; L265-E268 WeakPolarHBondContact O-CB 3.19Å; L265-E268 PolarHBondContact O-N 3.27Å; W266-E268 VanDerWaalsContact C-N 3.28Å; W266-E268 PolarHBondContact O-N 3.49Å; E268-T270 VanDerWaalsContact C-N 3.31Å; E268-T270 PolarHBondContact O-N 3.32Å; E268-K271 WeakPolarHBondContact O-CB 3.46Å; E268-K271 PolarHBondContact O-N 2.61Å; E268-K271 VanDerWaalsContact O-N 3.09Å; E268-G272 PolarHBondContact O-N 3.27Å
269I94.2Very high91.4Very high2 Ų267 Ų671%0.0134%0.34CS..Hα-helixtrans-56.7-44.7175.8-52.8-59.1000111.1L247 L250 V251 K254 V260 L265 W266 K271 G272 L273 L286L247-I269 HydrophobicContact CD1-CG2 3.91Å; L250-I269 HydrophobicContact CB-CD1 3.88Å; V251-I269 HydrophobicContact CG2-CD1 3.96Å; V251-I269 HydrophobicContact CG2-CG1 4.19Å; V251-I269 HydrophobicContact CG2-CG2 4.32Å; K254-I269 HydrophobicContact CG-CD1 4.18Å; V260-I269 HydrophobicContact CG1-CG1 3.97Å; V260-I269 HydrophobicContact CG2-CD1 4.24Å; V260-I269 HydrophobicContact CG2-CG1 4.44Å; L265-I269 PolarHBondContact O-N 3.11Å; L265-I269 VanDerWaalsContact O-N 3.14Å; W266-I269 HydrophobicContact CE3-CB 4.49Å; W266-I269 HydrophobicContact CE3-CG1 4.49Å; W266-I269 PolarHBondContact O-N 3.42Å; I269-K271 VanDerWaalsContact C-N 3.28Å; I269-K271 PolarHBondContact O-N 3.38Å; I269-G272 PolarHBondContact O-N 2.87Å; I269-G272 VanDerWaalsContact O-N 3.15Å; I269-L273 HydrophobicContact CG2-CD1 3.99Å; I269-L273 HydrophobicContact CG2-CG 4.44Å; I269-L273 WeakPolarHBondContact O-CG 3.35Å; I269-L273 PolarHBondContact O-N 3.17Å; I269-L286 HydrophobicContact CG2-CD1 4.46Å
270T93.1Very high91.2Very high8 Ų870.9 Ų70.95%0.04937%0.369CS..Hα-helixtrans-58.3-39.7177.5-53.40000111.9W266 E268 L275 A282W266-T270 WeakPolarHBondContact O-CB 3.37Å; W266-T270 PolarHBondContact O-N 2.78Å; W266-T270 PolarHBondContact O-OG1 3.42Å; E268-T270 VanDerWaalsContact C-N 3.31Å; E268-T270 PolarHBondContact O-N 3.32Å; T270-L275 HydrophobicContact CG2-CB 3.8Å; T270-L275 PolarHBondContact O-N 3.05Å; T270-A282 HydrophobicContact CG2-CB 4.09Å
271K91.9Very high90.9Very high143 Ų14374.3 Ų74.362%0.62239%0.392SS*.Hα-helixtrans-70.2-41175.8-70.8175.5178.2-174.30112.4R267 E268 I269 L273 N274 T277R267-K271 WeakPolarHBondContact O-CG 3.01Å; E268-K271 WeakPolarHBondContact O-CB 3.46Å; E268-K271 PolarHBondContact O-N 2.61Å; E268-K271 VanDerWaalsContact O-N 3.09Å; I269-K271 VanDerWaalsContact C-N 3.28Å; I269-K271 PolarHBondContact O-N 3.38Å; K271-L273 PolarHBondContact O-N 3.38Å; K271-N274 PolarHBondContact O-N 3.44Å; K271-T277 HydrophobicContact CG-CG2 3.83Å
272G90.4Very high90.8Very high34 Ų3474.4 Ų74.435%0.35139%0.394SS..Hα-helixtrans-66.6-22.3177.100000113.8L250 E268 I269 N274L250-G272 VanDerWaalsContact CD1-C 3.49Å; E268-G272 PolarHBondContact O-N 3.27Å; I269-G272 PolarHBondContact O-N 2.87Å; I269-G272 VanDerWaalsContact O-N 3.15Å; G272-N274 VanDerWaalsContact C-N 3.32Å
273L89.8Confident90.7Very high22 Ų2272.4 Ų72.412%0.11539%0.388CS..THydrogen-bonded Turntrans-88.67.4171-66.8173.4000113.5L242 M246 L247 L250 I269 K271 L275 L286L242-L273 HydrophobicContact CD1-CD1 4.37Å; M246-L273 HydrophobicContact CB-CD2 3.72Å; L247-L273 HydrophobicContact CB-CD1 4.28Å; L247-L273 HydrophobicContact CB-CD2 4.12Å; L247-L273 HydrophobicContact CD1-CD1 4.12Å; L250-L273 HydrophobicContact CD1-CD2 4.01Å; L250-L273 HydrophobicContact CD1-CG 4Å; I269-L273 HydrophobicContact CG2-CD1 3.99Å; I269-L273 HydrophobicContact CG2-CG 4.44Å; I269-L273 WeakPolarHBondContact O-CG 3.35Å; I269-L273 PolarHBondContact O-N 3.17Å; K271-L273 PolarHBondContact O-N 3.38Å; L273-L275 HydrophobicContact CB-CD1 3.83Å; L273-L275 HydrophobicContact CB-CG 3.9Å; L273-L275 HydrophobicContact CD1-CD1 4.02Å; L273-L275 PolarHBondContact O-N 3.12Å; L273-L286 HydrophobicContact CD1-CD1 4.05Å; L273-L286 HydrophobicContact CD1-CD2 3.73Å
274N88.3Confident90.6Very high147 Ų14772.5 Ų72.579%0.78639%0.389SS*.THydrogen-bonded Turntrans56.616.6-175.3-63.186.2000114.9K271 G272K271-N274 PolarHBondContact O-N 3.44Å; G272-N274 VanDerWaalsContact C-N 3.32Å
275L88.1Confident90.6Very high16 Ų1668.9 Ų68.98%0.08438%0.376CS..  trans-78.8143.5-177-67.1169.8000111.4M237 A238 T270 L273 T277 L286M237-L275 HydrophobicContact CE-CD1 3.9Å; M237-L275 HydrophobicContact CG-CD1 4.45Å; M237-L275 HydrophobicContact SD-CD1 3.83Å; A238-L275 HydrophobicContact CB-CD2 4.05Å; T270-L275 HydrophobicContact CG2-CB 3.8Å; T270-L275 PolarHBondContact O-N 3.05Å; L273-L275 HydrophobicContact CB-CD1 3.83Å; L273-L275 HydrophobicContact CB-CG 3.9Å; L273-L275 HydrophobicContact CD1-CD1 4.02Å; L273-L275 PolarHBondContact O-N 3.12Å; L275-T277 PolarHBondContact O-N 3.41Å; L275-L286 HydrophobicContact CD1-CD2 4.26Å
276P88Confident90.6Very high61 Ų6167 Ų6740%0.39637%0.367SS..  trans-57.5124.6178.4-26.334.1000113.3S278 I279P276-S278 PolarHBondContact O-N 3.1Å; P276-S278 VanDerWaalsContact O-N 3.08Å; P276-I279 HydrophobicContact CB-CD1 4.14Å; P276-I279 HydrophobicContact CB-CG1 4.28Å; P276-I279 HydrophobicContact CG-CD1 4.28Å; P276-I279 WeakPolarHBondContact O-CG1 3.28Å; P276-I279 PolarHBondContact O-N 3.23Å
277T85.8Confident90.5Very high99 Ų9968.4 Ų68.461%0.60737%0.372SS*.THydrogen-bonded Turntrans-70.7-2.7179.6560000114.3K271 L275 I279K271-T277 HydrophobicContact CG-CG2 3.83Å; L275-T277 PolarHBondContact O-N 3.41Å; T277-I279 VanDerWaalsContact C-N 3.29Å
278S87.3Confident90.5Very high98 Ų9860.8 Ų60.869%0.68535%0.349SS*.THydrogen-bonded Turntrans-78.5-7.9171.448.70000113.7P276 T280P276-S278 PolarHBondContact O-N 3.1Å; P276-S278 VanDerWaalsContact O-N 3.08Å; S278-T280 PolarHBondContact O-N 3.13Å; S278-T280 VanDerWaalsContact O-N 3.13Å
279I88.6Confident90.4Very high42 Ų4258.7 Ų58.722%0.21534%0.339CS..  trans-81.491.7179-56.9166000109.1M237 A238 P276 T277 S281 A282M237-I279 HydrophobicContact CE-CG2 4.16Å; A238-I279 HydrophobicContact CB-CD1 3.58Å; P276-I279 HydrophobicContact CB-CD1 4.14Å; P276-I279 HydrophobicContact CB-CG1 4.28Å; P276-I279 HydrophobicContact CG-CD1 4.28Å; P276-I279 WeakPolarHBondContact O-CG1 3.28Å; P276-I279 PolarHBondContact O-N 3.23Å; T277-I279 VanDerWaalsContact C-N 3.29Å; I279-S281 VanDerWaalsContact C-N 3.27Å; I279-S281 PolarHBondContact O-N 3.37Å; I279-A282 HydrophobicContact CB-CB 4.11Å; I279-A282 HydrophobicContact CG2-CB 3.96Å; I279-A282 WeakPolarHBondContact O-CB 3.38Å; I279-A282 PolarHBondContact O-N 2.79Å
280T88.9Confident90.3Very high144 Ų14458.6 Ų58.688%0.88334%0.339SS*.THydrogen-bonded Turntrans-54.5-41.1-177.6-46.70000112.9S278 A282S278-T280 PolarHBondContact O-N 3.13Å; S278-T280 VanDerWaalsContact O-N 3.13Å; T280-A282 PolarHBondContact O-N 3.35Å
281S88.6Confident90.2Very high71 Ų7160.7 Ų60.750%0.49735%0.349SS..THydrogen-bonded Turntrans-75.6-2.6-179.951.80000114.8I279 A283 F284 T285I279-S281 VanDerWaalsContact C-N 3.27Å; I279-S281 PolarHBondContact O-N 3.37Å; S281-A283 VanDerWaalsContact C-N 3.32Å; S281-A283 PolarHBondContact O-N 3.01Å; S281-F284 PolarHBondContact O-N 2.95Å; S281-F284 VanDerWaalsContact O-N 3.07Å; S281-T285 PolarHBondContact O-N 3.22Å; S281-T285 PolarHBondContact O-OG1 3.49Å
282A91Very high90.1Very high4 Ų460 Ų603%0.03335%0.346CS..Hα-helixtrans-54.7-42.8-171.200000114M237 T270 I279 T280 F284 T285 L286M237-A282 VanDerWaalsContact CE-CA 3.5Å; M237-A282 HydrophobicContact CE-CB 3.43Å; M237-A282 VanDerWaalsContact CE-CB 3.43Å; T270-A282 HydrophobicContact CG2-CB 4.09Å; I279-A282 HydrophobicContact CB-CB 4.11Å; I279-A282 HydrophobicContact CG2-CB 3.96Å; I279-A282 WeakPolarHBondContact O-CB 3.38Å; I279-A282 PolarHBondContact O-N 2.79Å; T280-A282 PolarHBondContact O-N 3.35Å; A282-F284 PolarHBondContact O-N 3.49Å; A282-T285 PolarHBondContact O-N 2.89Å; A282-L286 VanDerWaalsContact O-CB 3.29Å; A282-L286 WeakPolarHBondContact O-CB 3.2Å; A282-L286 VanDerWaalsContact O-CG 3.24Å; A282-L286 WeakPolarHBondContact O-CG 3.42Å; A282-L286 PolarHBondContact O-N 2.86Å
283A91.5Very high90Very high38 Ų3859.5 Ų59.531%0.31433%0.333SS..Hα-helixtrans-62.4-41.9179.800000112.5W266 S281 R287W266-A283 HydrophobicContact CB-CB 3.47Å; W266-A283 VanDerWaalsContact CB-CB 3.47Å; W266-A283 HydrophobicContact CG-CB 3.75Å; S281-A283 VanDerWaalsContact C-N 3.32Å; S281-A283 PolarHBondContact O-N 3.01Å; A283-R287 WeakPolarHBondContact O-CB 3.37Å; A283-R287 PolarHBondContact O-N 2.87Å; A283-R287 VanDerWaalsContact O-N 3.1Å
284F91.2Very high90Very high127 Ų12758.4 Ų58.456%0.55733%0.328SS*.Hα-helixtrans-69.8-48177.3179.2-98.7000111.2S281 A282 L286 R287 T288S281-F284 PolarHBondContact O-N 2.95Å; S281-F284 VanDerWaalsContact O-N 3.07Å; A282-F284 PolarHBondContact O-N 3.49Å; F284-L286 PolarHBondContact O-N 3.4Å; F284-R287 PolarHBondContact O-N 3.49Å; F284-T288 WeakPolarHBondContact O-CB 3.25Å; F284-T288 PolarHBondContact O-N 3.48Å; F284-T288 PolarHBondContact O-OG1 3.49Å
285T92.4Very high90.1Very high38 Ų3852.3 Ų52.323%0.23329%0.294CS..Hα-helixtrans-58.9-51.7178.8-54.30000111.3M237 S281 A282 R287 T288 Q289M237-T285 HydrophobicContact SD-CG2 4.04Å; S281-T285 PolarHBondContact O-N 3.22Å; S281-T285 PolarHBondContact O-OG1 3.49Å; A282-T285 PolarHBondContact O-N 2.89Å; T285-R287 PolarHBondContact O-N 2.94Å; T285-T288 PolarHBondContact O-N 2.95Å; T285-Q289 HydrophobicContact CG2-CG 4.39Å; T285-Q289 WeakPolarHBondContact O-CG 3.35Å; T285-Q289 PolarHBondContact O-N 2.96Å
286L93.5Very high90.1Very high0 Ų053 Ų530%030%0.299CS..Hα-helixtrans-61-43179.6-69.5173.2000111.7M237 L242 L247 W266 I269 L273 L275 A282 F284 T288 Q289 Y290M237-L286 HydrophobicContact CE-CD1 4.48Å; M237-L286 HydrophobicContact CE-CD2 4.46Å; M237-L286 HydrophobicContact CE-CG 4.13Å; M237-L286 HydrophobicContact SD-CD2 3.67Å; M237-L286 HydrophobicContact SD-CG 3.89Å; L242-L286 HydrophobicContact CD1-CD2 3.6Å; L242-L286 HydrophobicContact CD2-CD2 4.39Å; L247-L286 HydrophobicContact CD1-CD2 4.37Å; L247-L286 HydrophobicContact CD2-CD2 4.35Å; W266-L286 HydrophobicContact CE3-CB 3.87Å; W266-L286 HydrophobicContact CZ3-CB 3.74Å; I269-L286 HydrophobicContact CG2-CD1 4.46Å; L273-L286 HydrophobicContact CD1-CD1 4.05Å; L273-L286 HydrophobicContact CD1-CD2 3.73Å; L275-L286 HydrophobicContact CD1-CD2 4.26Å; A282-L286 VanDerWaalsContact O-CB 3.29Å; A282-L286 WeakPolarHBondContact O-CB 3.2Å; A282-L286 VanDerWaalsContact O-CG 3.24Å; A282-L286 WeakPolarHBondContact O-CG 3.42Å; A282-L286 PolarHBondContact O-N 2.86Å; F284-L286 PolarHBondContact O-N 3.4Å; L286-T288 PolarHBondContact O-N 3.25Å; L286-Q289 PolarHBondContact O-N 2.88Å; L286-Y290 WeakPolarHBondContact O-CB 3.42Å; L286-Y290 PolarHBondContact O-N 3.18Å
287R92.4Very high90.1Very high44 Ų4450.8 Ų50.817%0.16628%0.283CS..Hα-helixtrans-58-47.9174.9-177.4-177128.2-160.9-10.7111.8L257 I261 W266 A283 F284 T285 Y290 M291 I314L257-R287 HydrophobicContact CD1-CG 4.49Å; I261-R287 HydrophobicContact CD1-CG 4.16Å; W266-R287 HydrophobicContact CH2-CB 3.88Å; W266-R287 HydrophobicContact CH2-CG 4.41Å; W266-R287 HydrophobicContact CZ2-CB 3.56Å; W266-R287 HydrophobicContact CZ2-CG 3.84Å; A283-R287 WeakPolarHBondContact O-CB 3.37Å; A283-R287 PolarHBondContact O-N 2.87Å; A283-R287 VanDerWaalsContact O-N 3.1Å; F284-R287 PolarHBondContact O-N 3.49Å; T285-R287 PolarHBondContact O-N 2.94Å; R287-Y290 PolarHBondContact O-N 3.43Å; R287-M291 VanDerWaalsContact O-CB 3.28Å; R287-M291 WeakPolarHBondContact O-CB 3.29Å; R287-M291 PolarHBondContact O-N 2.98Å; R287-I314 VanDerWaalsContact NH2-CG2 3.31Å
288T91.8Very high90.4Very high51 Ų5146.1 Ų46.131%0.31325%0.254SS..Hα-helixtrans-67.9-41.9-177.8-630000112F284 T285 L286 M291 K292F284-T288 WeakPolarHBondContact O-CB 3.25Å; F284-T288 PolarHBondContact O-N 3.48Å; F284-T288 PolarHBondContact O-OG1 3.49Å; T285-T288 PolarHBondContact O-N 2.95Å; L286-T288 PolarHBondContact O-N 3.25Å; T288-M291 PolarHBondContact O-N 3.29Å; T288-K292 WeakPolarHBondContact O-CB 3.44Å; T288-K292 PolarHBondContact O-N 2.98Å; T288-K292 VanDerWaalsContact O-N 3.13Å
289Q91.4Very high90.4Very high44 Ų4443.5 Ų43.521%0.20624%0.235CC..Hα-helixtrans-66.6-40.6174.5-58.1-46.2-37.100111.7P235 L242 T285 L286 K292 Y293P235-Q289 HydrophobicContact CB-CB 4.36Å; P235-Q289 HydrophobicContact CB-CG 3.79Å; P235-Q289 HydrophobicContact CG-CB 4.24Å; P235-Q289 HydrophobicContact CG-CG 4.1Å; L242-Q289 HydrophobicContact CD2-CB 3.75Å; L242-Q289 HydrophobicContact CD2-CG 3.97Å; T285-Q289 HydrophobicContact CG2-CG 4.39Å; T285-Q289 WeakPolarHBondContact O-CG 3.35Å; T285-Q289 PolarHBondContact O-N 2.96Å; L286-Q289 PolarHBondContact O-N 2.88Å; Q289-K292 PolarHBondContact O-N 3.06Å; Q289-Y293 WeakPolarHBondContact O-CD2 3.41Å; Q289-Y293 PolarHBondContact O-N 2.8Å
290Y92.6Very high90.2Very high0 Ų046.4 Ų46.40%025%0.251CS..Hα-helixtrans-60.8-50.2175.5-166.2-71.8000111.3L247 V251 L257 L286 R287 K292 Y293 L294 Y295 E298L247-Y290 HydrophobicContact CD1-CD2 3.95Å; L247-Y290 HydrophobicContact CD2-CD2 4.21Å; L247-Y290 HydrophobicContact CG-CD2 3.78Å; L247-Y290 HydrophobicContact CG-CE2 4.43Å; V251-Y290 HydrophobicContact CB-CE2 4.25Å; V251-Y290 HydrophobicContact CG1-CD2 3.97Å; V251-Y290 HydrophobicContact CG1-CE1 4.16Å; V251-Y290 HydrophobicContact CG1-CE2 3.16Å; V251-Y290 WeakPolarHBondContact CG1-OH 3.24Å; V251-Y290 HydrophobicContact CG2-CD2 4.16Å; V251-Y290 HydrophobicContact CG2-CE2 4.08Å; L257-Y290 HydrophobicContact CB-CD1 4.05Å; L257-Y290 HydrophobicContact CB-CE1 3.89Å; L257-Y290 HydrophobicContact CD1-CD1 3.75Å; L257-Y290 HydrophobicContact CD1-CE1 4.41Å; L257-Y290 HydrophobicContact CD1-CG 4.05Å; L257-Y290 HydrophobicContact CD2-CD1 3.89Å; L257-Y290 HydrophobicContact CD2-CE1 4.4Å; L257-Y290 HydrophobicContact CG-CD1 4.1Å; L257-Y290 HydrophobicContact CG-CE1 4.45Å; L286-Y290 WeakPolarHBondContact O-CB 3.42Å; L286-Y290 PolarHBondContact O-N 3.18Å; R287-Y290 PolarHBondContact O-N 3.43Å; Y290-K292 PolarHBondContact O-N 3.42Å; Y290-Y293 PolarHBondContact O-N 3.06Å; Y290-L294 HydrophobicContact CD1-CB 3.94Å; Y290-L294 HydrophobicContact CD2-CB 3.85Å; Y290-L294 HydrophobicContact CD2-CD1 3.58Å; Y290-L294 HydrophobicContact CD2-CG 4.35Å; Y290-L294 HydrophobicContact CE1-CB 3.8Å; Y290-L294 HydrophobicContact CE2-CB 3.66Å; Y290-L294 HydrophobicContact CE2-CD1 3.64Å; Y290-L294 HydrophobicContact CE2-CG 4.31Å; Y290-L294 HydrophobicContact CG-CB 3.95Å; Y290-L294 HydrophobicContact CG-CD1 4.3Å; Y290-L294 WeakPolarHBondContact O-CA 3.35Å; Y290-L294 PolarHBondContact O-N 3.14Å; Y290-Y295 PolarHBondContact O-N 3.1Å; Y290-E298 WeakPolarHBondContact CE1-OE2 3.33Å; Y290-E298 VanDerWaalsContact CZ-OE2 3.23Å; Y290-E298 PolarHBondContact OH-OE2 3.03Å
291M91.3Very high90Very high52 Ų5243.7 Ų43.726%0.25623%0.227SC..Hα-helixtrans-60-32-178.6-164.7174.586.800112.5W113 L257 R287 T288 L310 I314W113-M291 HydrophobicContact CH2-CE 4.01Å; W113-M291 HydrophobicContact CZ3-CE 4.19Å; L257-M291 HydrophobicContact CD2-CB 4.34Å; L257-M291 HydrophobicContact CD2-CG 4.46Å; R287-M291 VanDerWaalsContact O-CB 3.28Å; R287-M291 WeakPolarHBondContact O-CB 3.29Å; R287-M291 PolarHBondContact O-N 2.98Å; T288-M291 PolarHBondContact O-N 3.29Å; M291-L310 HydrophobicContact CG-CD2 4.04Å; M291-L310 HydrophobicContact SD-CD2 4.02Å; M291-I314 HydrophobicContact SD-CD1 4.16Å
292K88.4Confident89.7Confident129 Ų12946.5 Ų46.556%0.56123%0.227SC*.Hα-helixtrans-79.3-45178.1-175.7176.3175.1-162.20113.9T288 Q289 Y290T288-K292 WeakPolarHBondContact O-CB 3.44Å; T288-K292 PolarHBondContact O-N 2.98Å; T288-K292 VanDerWaalsContact O-N 3.13Å; Q289-K292 PolarHBondContact O-N 3.06Å; Y290-K292 PolarHBondContact O-N 3.42Å
293Y88.7Confident89.3Confident22 Ų2248.8 Ų48.89%0.08625%0.251CS..Hα-helixtrans-110-27.2-167.6-65.2-78.8000115M224 V231 R233 P235 Q289 Y290M224-Y293 HydrophobicContact CE-CD1 4.24Å; M224-Y293 WeakPolarHBondContact CE-O 3.48Å; M224-Y293 HydrophobicContact SD-CD1 3.75Å; M224-Y293 HydrophobicContact SD-CG 4.48Å; V231-Y293 HydrophobicContact CB-CE1 4.41Å; V231-Y293 HydrophobicContact CG1-CD1 4.19Å; V231-Y293 HydrophobicContact CG1-CE1 3.81Å; V231-Y293 HydrophobicContact CG2-CD1 3.99Å; V231-Y293 HydrophobicContact CG2-CE1 4.14Å; R233-Y293 PolarHBondContact O-OH 3.16Å; P235-Y293 HydrophobicContact CG-CD2 3.8Å; P235-Y293 HydrophobicContact CG-CE2 3.52Å; Q289-Y293 WeakPolarHBondContact O-CD2 3.41Å; Q289-Y293 PolarHBondContact O-N 2.8Å; Y290-Y293 PolarHBondContact O-N 3.06Å
294L90.2Very high88.6Confident0 Ų049.9 Ų49.90%025%0.251CS..THydrogen-bonded Turntrans-114.2-39.3-170.7-68.7174.5000113.3F216 L220 L244 L247 Y248 Y290 P296 Y297 E298F216-L294 HydrophobicContact CZ-CD2 4.06Å; L220-L294 HydrophobicContact CD1-CD2 4.06Å; L220-L294 HydrophobicContact CD2-CD2 3.62Å; L244-L294 HydrophobicContact CB-CD2 4.4Å; L247-L294 HydrophobicContact CB-CD1 4.13Å; L247-L294 HydrophobicContact CD2-CD1 3.8Å; L247-L294 HydrophobicContact CG-CD1 3.7Å; Y248-L294 HydrophobicContact CD2-CD2 4.48Å; Y290-L294 HydrophobicContact CD1-CB 3.94Å; Y290-L294 HydrophobicContact CD2-CB 3.85Å; Y290-L294 HydrophobicContact CD2-CD1 3.58Å; Y290-L294 HydrophobicContact CD2-CG 4.35Å; Y290-L294 HydrophobicContact CE1-CB 3.8Å; Y290-L294 HydrophobicContact CE2-CB 3.66Å; Y290-L294 HydrophobicContact CE2-CD1 3.64Å; Y290-L294 HydrophobicContact CE2-CG 4.31Å; Y290-L294 HydrophobicContact CG-CB 3.95Å; Y290-L294 HydrophobicContact CG-CD1 4.3Å; Y290-L294 WeakPolarHBondContact O-CA 3.35Å; Y290-L294 PolarHBondContact O-N 3.14Å; L294-P296 VanDerWaalsContact C-CD 3.44Å; L294-Y297 WeakPolarHBondContact O-CB 3.37Å; L294-Y297 PolarHBondContact O-N 2.88Å; L294-E298 PolarHBondContact O-N 2.71Å
295Y89.9Confident87.9Confident19 Ų1944.2 Ų44.28%0.07523%0.227CC..Hα-helixtrans-54.9-41.8177.2-178.4-111.3000113.9L257 Y290 Y297 E298 C299 S305 N306 P307 L310L257-Y295 HydrophobicContact CB-CD2 4.12Å; L257-Y295 HydrophobicContact CD2-CD2 3.7Å; L257-Y295 HydrophobicContact CD2-CE2 4.4Å; L257-Y295 HydrophobicContact CD2-CG 3.93Å; Y290-Y295 PolarHBondContact O-N 3.1Å; Y295-Y297 PolarHBondContact O-N 3.35Å; Y295-E298 PolarHBondContact O-N 3.19Å; Y295-C299 WeakPolarHBondContact CE2-SG 3.45Å; Y295-C299 PolarHBondContact O-N 3.23Å; Y295-C299 VanDerWaalsContact O-N 3.09Å; Y295-C299 PolarHBondContact O-SG 3.44Å; Y295-C299 VanDerWaalsContact O-SG 3.34Å; Y295-S305 PolarHBondContact OH-O 3.25Å; Y295-S305 VanDerWaalsContact OH-O 3.05Å; Y295-N306 PolarHBondContact OH-O 3.5Å; Y295-P307 VanDerWaalsContact OH-N 3.15Å; Y295-L310 HydrophobicContact CD1-CD2 3.92Å; Y295-L310 HydrophobicContact CD2-CD2 4.3Å; Y295-L310 HydrophobicContact CE1-CD2 3.6Å; Y295-L310 HydrophobicContact CE2-CD2 4.02Å; Y295-L310 HydrophobicContact CG-CD2 4.27Å
296P88.6Confident87.6Confident30 Ų3046.9 Ų46.920%0.19524%0.24CC..Hα-helixtrans-62.8-27178-21.434.3000113.3F223 R227 L294F223-P296 HydrophobicContact CE1-CB 4.33Å; F223-P296 WeakPolarHBondContact CE1-O 3.12Å; F223-P296 VanDerWaalsContact CZ-O 3.24Å; F223-P296 WeakPolarHBondContact CZ-O 3.37Å; R227-P296 PolarHBondContact NH1-O 3.16Å; L294-P296 VanDerWaalsContact C-CD 3.44Å
297Y89Confident87.2Confident15 Ų1551 Ų516%0.05927%0.267CS..Hα-helixtrans-87.1-35.4177.9174.7-83.4000111.8F216 D219 L220 F223 Y248 L294 Y295 D300 K301F216-Y297 HydrophobicContact CD2-CE1 4.25Å; F216-Y297 HydrophobicContact CE2-CD1 4.33Å; F216-Y297 AromaticContact CE2-CE1 3.57Å; F216-Y297 HydrophobicContact CE2-CE1 3.57Å; F216-Y297 AromaticContact CE2-CZ 3.94Å; F216-Y297 HydrophobicContact CZ-CE1 4.4Å; D219-Y297 PolarHBondContact OD2-OH 3.44Å; D219-Y297 VanDerWaalsContact OD2-OH 3.11Å; L220-Y297 HydrophobicContact CB-CD2 4.49Å; L220-Y297 HydrophobicContact CB-CE2 4.36Å; L220-Y297 HydrophobicContact CD1-CD1 4.19Å; L220-Y297 HydrophobicContact CD1-CD2 3.68Å; L220-Y297 HydrophobicContact CD1-CE2 4.3Å; L220-Y297 HydrophobicContact CD1-CG 3.61Å; F223-Y297 HydrophobicContact CB-CD2 4.09Å; F223-Y297 AromaticContact CD1-CD2 3.86Å; F223-Y297 HydrophobicContact CD1-CD2 3.86Å; F223-Y297 HydrophobicContact CD1-CG 4.37Å; F223-Y297 VanDerWaalsContact CE1-CA 3.47Å; F223-Y297 HydrophobicContact CE1-CD2 4.37Å; F223-Y297 AromaticContact CG-CD2 3.93Å; F223-Y297 HydrophobicContact CG-CD2 3.93Å; Y248-Y297 HydrophobicContact CE1-CE1 4.26Å; Y248-Y297 AromaticContact CE2-CD1 3.99Å; Y248-Y297 HydrophobicContact CE2-CD1 3.99Å; Y248-Y297 HydrophobicContact CE2-CE1 4.2Å; Y248-Y297 AromaticContact CZ-CE1 3.9Å; L294-Y297 WeakPolarHBondContact O-CB 3.37Å; L294-Y297 PolarHBondContact O-N 2.88Å; Y295-Y297 PolarHBondContact O-N 3.35Å; Y297-D300 PolarHBondContact O-N 3.18Å; Y297-K301 HydrophobicContact CD1-CG 4.03Å; Y297-K301 HydrophobicContact CD2-CG 4.17Å; Y297-K301 HydrophobicContact CE1-CB 4.39Å; Y297-K301 HydrophobicContact CE1-CG 3.74Å; Y297-K301 HydrophobicContact CE2-CD 4.25Å; Y297-K301 VanDerWaalsContact CE2-CE 3.49Å; Y297-K301 HydrophobicContact CE2-CG 3.92Å; Y297-K301 HydrophobicContact CG-CG 4.23Å; Y297-K301 WeakPolarHBondContact O-CB 3.4Å; Y297-K301 WeakPolarHBondContact O-CG 3.49Å; Y297-K301 PolarHBondContact O-N 2.68Å
298E90.6Very high87Confident1 Ų155.5 Ų55.51%0.00529%0.294CS..Hα-helixtrans-60-45.2173.3-174.9-175.2173.500112Y248 T252 G256 L257 Y290 L294 Y295 D300 R302 G303Y248-E298 HydrophobicContact CE2-CB 4.13Å; Y248-E298 HydrophobicContact CE2-CG 4.42Å; T252-E298 HydrophobicContact CG2-CG 4.25Å; G256-E298 WeakPolarHBondContact CA-OE1 3.44Å; L257-E298 PolarHBondContact N-OE1 3.28Å; Y290-E298 WeakPolarHBondContact CE1-OE2 3.33Å; Y290-E298 VanDerWaalsContact CZ-OE2 3.23Å; Y290-E298 PolarHBondContact OH-OE2 3.03Å; L294-E298 PolarHBondContact O-N 2.71Å; Y295-E298 PolarHBondContact O-N 3.19Å; E298-D300 VanDerWaalsContact C-N 3.35Å; E298-D300 PolarHBondContact O-N 3.08Å; E298-R302 PolarHBondContact O-N 3.42Å; E298-G303 PolarHBondContact O-N 3.17Å; E298-G303 VanDerWaalsContact O-N 3.16Å
299C87.5Confident86.9Confident43 Ų4357.6 Ų57.629%0.29130%0.3SS..Hα-helixtrans-60.4-44.1177-650000112Y295 G303 S305Y295-C299 WeakPolarHBondContact CE2-SG 3.45Å; Y295-C299 PolarHBondContact O-N 3.23Å; Y295-C299 VanDerWaalsContact O-N 3.09Å; Y295-C299 PolarHBondContact O-SG 3.44Å; Y295-C299 VanDerWaalsContact O-SG 3.34Å; C299-G303 VanDerWaalsContact O-CA 3.3Å; C299-G303 WeakPolarHBondContact O-CA 3.37Å; C299-G303 PolarHBondContact O-N 3.38Å; C299-S305 PolarHBondContact SG-O 2.8Å; C299-S305 VanDerWaalsContact SG-O 3.32Å
300D85.4Confident86.8Confident103 Ų10355.9 Ų55.955%0.55129%0.292SS*.Hα-helixtrans-66.5-49.8179.9179.987.8000112.5F223 Y297 E298F223-D300 HydrophobicContact CE2-CB 3.7Å; F223-D300 WeakPolarHBondContact CE2-OD2 3.32Å; F223-D300 HydrophobicContact CZ-CB 3.59Å; Y297-D300 PolarHBondContact O-N 3.18Å; E298-D300 VanDerWaalsContact C-N 3.35Å; E298-D300 PolarHBondContact O-N 3.08Å
301K84.1Confident86.7Confident86 Ų8659 Ų5937%0.37431%0.307SS..Hα-helixtrans-83.3-24.4-172.4-60.3-75.2175.3152.40114D219 Y297D219-K301 VanDerWaalsContact CG-NZ 3.26Å; D219-K301 IonicContact OD1-NZ 2.88Å; D219-K301 PolarHBondContact OD1-NZ 2.75Å; D219-K301 VanDerWaalsContact OD1-NZ 3.11Å; D219-K301 IonicContact OD2-NZ 3.31Å; D219-K301 PolarHBondContact OD2-NZ 2.92Å; Y297-K301 HydrophobicContact CD1-CG 4.03Å; Y297-K301 HydrophobicContact CD2-CG 4.17Å; Y297-K301 HydrophobicContact CE1-CB 4.39Å; Y297-K301 HydrophobicContact CE1-CG 3.74Å; Y297-K301 HydrophobicContact CE2-CD 4.25Å; Y297-K301 VanDerWaalsContact CE2-CE 3.49Å; Y297-K301 HydrophobicContact CE2-CG 3.92Å; Y297-K301 HydrophobicContact CG-CG 4.23Å; Y297-K301 WeakPolarHBondContact O-CB 3.4Å; Y297-K301 WeakPolarHBondContact O-CG 3.49Å; Y297-K301 PolarHBondContact O-N 2.68Å
302R82.6Confident86.7Confident130 Ų13059.4 Ų59.449%0.49132%0.319SS..Hα-helixtrans-140.9-13.5-171.7-68.6-175.262.1174.3-8.9116.1T252 E298 L304T252-R302 VanDerWaalsContact CG2-CZ 3.44Å; T252-R302 VanDerWaalsContact CG2-NH1 3.26Å; T252-R302 PolarHBondContact O-NH1 3.2Å; T252-R302 PolarHBondContact O-NH2 2.84Å; E298-R302 PolarHBondContact O-N 3.42Å; R302-L304 HydrophobicContact CB-CD1 4.41Å; R302-L304 HydrophobicContact CB-CD2 4.33Å; R302-L304 HydrophobicContact CB-CG 3.89Å; R302-L304 PolarHBondContact O-N 3.45Å; R302-L304 VanDerWaalsContact O-N 3.11Å
303G81.7Confident86.8Confident52 Ų5253.5 Ų53.554%0.53629%0.294SS..  trans58.424.7173.200000116E298 C299 S305E298-G303 PolarHBondContact O-N 3.17Å; E298-G303 VanDerWaalsContact O-N 3.16Å; C299-G303 VanDerWaalsContact O-CA 3.3Å; C299-G303 WeakPolarHBondContact O-CA 3.37Å; C299-G303 PolarHBondContact O-N 3.38Å; G303-S305 VanDerWaalsContact C-N 3.25Å; G303-S305 PolarHBondContact O-N 3.47Å
304L78.2Confident86.9Confident62 Ų6253.3 Ų53.333%0.32529%0.294SS..  trans-72.9-10.4-170-61-175.5000115.1T252 R302T252-L304 HydrophobicContact CG2-CD1 3.45Å; T252-L304 VanDerWaalsContact CG2-CD1 3.45Å; R302-L304 HydrophobicContact CB-CD1 4.41Å; R302-L304 HydrophobicContact CB-CD2 4.33Å; R302-L304 HydrophobicContact CB-CG 3.89Å; R302-L304 PolarHBondContact O-N 3.45Å; R302-L304 VanDerWaalsContact O-N 3.11Å
305S76.5Confident86.9Confident7 Ų757 Ų575%0.04931%0.314CS..  trans-164.1132.5-168.2-730000112.1V258 Y295 C299 G303V258-S305 WeakPolarHBondContact CB-OG 3.22Å; V258-S305 VanDerWaalsContact CG2-CB 3.46Å; V258-S305 WeakPolarHBondContact CG2-OG 3.49Å; Y295-S305 PolarHBondContact OH-O 3.25Å; Y295-S305 VanDerWaalsContact OH-O 3.05Å; C299-S305 PolarHBondContact SG-O 2.8Å; C299-S305 VanDerWaalsContact SG-O 3.32Å; G303-S305 VanDerWaalsContact C-N 3.25Å; G303-S305 PolarHBondContact O-N 3.47Å
306N84.7Confident86.8Confident94 Ų9459.8 Ų59.850%0.50334%0.336SS..  trans-95.6151.1177.6-60.2-87.7000111.4Y295 N308 E309 L310Y295-N306 PolarHBondContact OH-O 3.5Å; N306-N308 PolarHBondContact O-N 3.38Å; N306-N308 VanDerWaalsContact O-N 3.12Å; N306-E309 HydrophobicContact CB-CG 4.19Å; N306-E309 WeakPolarHBondContact CB-OE2 3.5Å; N306-E309 PolarHBondContact N-OE2 2.98Å; N306-E309 PolarHBondContact ND2-OE2 3.45Å; N306-E309 WeakPolarHBondContact O-CB 3.48Å; N306-E309 PolarHBondContact O-N 3.01Å; N306-L310 PolarHBondContact O-N 3.36Å
307P85.5Confident86.7Confident86 Ų8661.3 Ų61.356%0.55834%0.342SS*.Hα-helixtrans-55.7-33-179.5-28.936.3000114.1Y295 L310 Q311Y295-P307 VanDerWaalsContact OH-N 3.15Å; P307-L310 PolarHBondContact O-N 3.25Å; P307-Q311 PolarHBondContact O-N 3.02Å
308N87.4Confident86.4Confident139 Ų13968.2 Ų68.274%0.74337%0.369SS*.Hα-helixtrans-70.2-37.6177.8-64.54.8000112.3N306 Q311 A312N306-N308 PolarHBondContact O-N 3.38Å; N306-N308 VanDerWaalsContact O-N 3.12Å; N308-Q311 PolarHBondContact O-N 2.91Å; N308-A312 WeakPolarHBondContact O-CB 3.48Å; N308-A312 PolarHBondContact O-N 3.48Å
309E89.8Confident85.4Confident95 Ų9576.6 Ų76.644%0.44440%0.4SS..Hα-helixtrans-70-37.2175.9-61.9170.8136.700110.6V258 N306 A312 A313V258-E309 HydrophobicContact CG1-CB 4.4Å; V258-E309 HydrophobicContact CG2-CB 4.48Å; N306-E309 HydrophobicContact CB-CG 4.19Å; N306-E309 WeakPolarHBondContact CB-OE2 3.5Å; N306-E309 PolarHBondContact N-OE2 2.98Å; N306-E309 PolarHBondContact ND2-OE2 3.45Å; N306-E309 WeakPolarHBondContact O-CB 3.48Å; N306-E309 PolarHBondContact O-N 3.01Å; E309-A312 PolarHBondContact O-N 3.12Å; E309-A313 WeakPolarHBondContact O-CB 3.32Å; E309-A313 PolarHBondContact O-N 2.94Å
310L90.1Very high84.4Confident8 Ų877.9 Ų77.94%0.04240%0.402CS..Hα-helixtrans-61.9-47.9171.9-179.859.6000111.9L257 V258 I261 M291 Y295 N306 P307 A312 A313 I314L257-L310 HydrophobicContact CD2-CD1 3.57Å; L257-L310 HydrophobicContact CD2-CD2 3.78Å; L257-L310 HydrophobicContact CD2-CG 4.35Å; L257-L310 HydrophobicContact CG-CD1 3.87Å; V258-L310 HydrophobicContact CG2-CB 3.88Å; V258-L310 HydrophobicContact CG2-CD1 4.11Å; I261-L310 HydrophobicContact CD1-CD1 3.53Å; M291-L310 HydrophobicContact CG-CD2 4.04Å; M291-L310 HydrophobicContact SD-CD2 4.02Å; Y295-L310 HydrophobicContact CD1-CD2 3.92Å; Y295-L310 HydrophobicContact CD2-CD2 4.3Å; Y295-L310 HydrophobicContact CE1-CD2 3.6Å; Y295-L310 HydrophobicContact CE2-CD2 4.02Å; Y295-L310 HydrophobicContact CG-CD2 4.27Å; N306-L310 PolarHBondContact O-N 3.36Å; P307-L310 PolarHBondContact O-N 3.25Å; L310-A312 VanDerWaalsContact C-N 3.33Å; L310-A312 PolarHBondContact O-N 3.46Å; L310-A313 PolarHBondContact O-N 2.9Å; L310-I314 HydrophobicContact CD1-CD1 3.9Å; L310-I314 HydrophobicContact CD1-CG1 4.22Å; L310-I314 HydrophobicContact CG-CD1 3.83Å; L310-I314 WeakPolarHBondContact O-CB 3.43Å; L310-I314 WeakPolarHBondContact O-CG1 3.44Å; L310-I314 PolarHBondContact O-N 3.34Å
311Q90.3Very high83.2Confident67 Ų6776.2 Ų76.231%0.31341%0.409SS..Hα-helixtrans-60.5-43.1175.1-170.468.164.100111.5P307 N308 A313 I314 D315P307-Q311 PolarHBondContact O-N 3.02Å; N308-Q311 PolarHBondContact O-N 2.91Å; Q311-A313 PolarHBondContact O-N 2.94Å; Q311-I314 WeakPolarHBondContact O-CB 3.39Å; Q311-I314 PolarHBondContact O-N 3.47Å; Q311-D315 PolarHBondContact NE2-OD1 2.87Å; Q311-D315 WeakPolarHBondContact O-CB 3.21Å; Q311-D315 VanDerWaalsContact O-CG 3.23Å; Q311-D315 PolarHBondContact O-N 3.17Å
312A92Very high82Confident60 Ų6083 Ų8350%0.49643%0.432SS..Hα-helixtrans-62.4-41.617800000112.9N308 E309 L310 S316N308-A312 WeakPolarHBondContact O-CB 3.48Å; N308-A312 PolarHBondContact O-N 3.48Å; E309-A312 PolarHBondContact O-N 3.12Å; L310-A312 VanDerWaalsContact C-N 3.33Å; L310-A312 PolarHBondContact O-N 3.46Å; A312-S316 VanDerWaalsContact O-CB 3.23Å; A312-S316 WeakPolarHBondContact O-CB 3.42Å; A312-S316 PolarHBondContact O-N 3.22Å
313A90.7Very high80.7Confident4 Ų485.7 Ų85.73%0.03344%0.443CS..Hα-helixtrans-65.3-39174.600000112.1V258 I261 N262 E309 L310 Q311 N317V258-A313 HydrophobicContact CG1-CB 4Å; I261-A313 HydrophobicContact CB-CB 4.3Å; I261-A313 HydrophobicContact CG2-CB 3.91Å; I261-A313 WeakPolarHBondContact CG2-O 3.47Å; N262-A313 VanDerWaalsContact OD1-CB 3.22Å; N262-A313 WeakPolarHBondContact OD1-CB 3.48Å; E309-A313 WeakPolarHBondContact O-CB 3.32Å; E309-A313 PolarHBondContact O-N 2.94Å; L310-A313 PolarHBondContact O-N 2.9Å; Q311-A313 PolarHBondContact O-N 2.94Å; A313-N317 WeakPolarHBondContact O-CB 3.33Å; A313-N317 PolarHBondContact O-N 3.38Å
314I90.4Very high79.2Confident18 Ų1889.9 Ų89.99%0.09245%0.448CS..Hα-helixtrans-63.4-48.5175.2-72.4170.9000111.3I261 R287 M291 L310 Q311 N317 R318I261-I314 HydrophobicContact CD1-CG1 4.24Å; R287-I314 VanDerWaalsContact NH2-CG2 3.31Å; M291-I314 HydrophobicContact SD-CD1 4.16Å; L310-I314 HydrophobicContact CD1-CD1 3.9Å; L310-I314 HydrophobicContact CD1-CG1 4.22Å; L310-I314 HydrophobicContact CG-CD1 3.83Å; L310-I314 WeakPolarHBondContact O-CB 3.43Å; L310-I314 WeakPolarHBondContact O-CG1 3.44Å; L310-I314 PolarHBondContact O-N 3.34Å; Q311-I314 WeakPolarHBondContact O-CB 3.39Å; Q311-I314 PolarHBondContact O-N 3.47Å; I314-N317 WeakPolarHBondContact O-CB 3.36Å; I314-N317 PolarHBondContact O-N 3.49Å; I314-N317 VanDerWaalsContact O-N 3.15Å; I314-R318 PolarHBondContact O-N 2.85Å
315D89.6Confident77.5Confident77 Ų7791.9 Ų91.941%0.41247%0.467SS..Hα-helixtrans-69.6-35.4-177.5-67.1-6.9000111.6Q311 N317 R318 R319Q311-D315 PolarHBondContact NE2-OD1 2.87Å; Q311-D315 WeakPolarHBondContact O-CB 3.21Å; Q311-D315 VanDerWaalsContact O-CG 3.23Å; Q311-D315 PolarHBondContact O-N 3.17Å; D315-N317 VanDerWaalsContact C-N 3.34Å; D315-R318 PolarHBondContact O-N 3.47Å; D315-R319 VanDerWaalsContact O-CB 3.25Å; D315-R319 WeakPolarHBondContact O-CB 3.33Å; D315-R319 PolarHBondContact O-N 3.37Å
316S89Confident76.2Confident78 Ų78101.9 Ų101.955%0.54551%0.51SS..Hα-helixtrans-58.7-46.1168.8-175.10000111.1A312 R319 E320A312-S316 VanDerWaalsContact O-CB 3.23Å; A312-S316 WeakPolarHBondContact O-CB 3.42Å; A312-S316 PolarHBondContact O-N 3.22Å; S316-R319 PolarHBondContact O-N 3.12Å; S316-E320 PolarHBondContact O-N 2.87Å; S316-E320 VanDerWaalsContact O-N 3.14Å
317N85.7Confident74.7Confident62 Ų62100.5 Ų100.533%0.33252%0.518SS..Hα-helixtrans-65.4-41.2178.9-155.2-104.6000112.5I261 A313 I314 D315 R319I261-N317 HydrophobicContact CG2-CB 4.16Å; A313-N317 WeakPolarHBondContact O-CB 3.33Å; A313-N317 PolarHBondContact O-N 3.38Å; I314-N317 WeakPolarHBondContact O-CB 3.36Å; I314-N317 PolarHBondContact O-N 3.49Å; I314-N317 VanDerWaalsContact O-N 3.15Å; D315-N317 VanDerWaalsContact C-N 3.34Å; N317-R319 VanDerWaalsContact C-N 3.32Å; N317-R319 PolarHBondContact O-N 3.47Å
318R83.6Confident72.8Confident161 Ų161102.4 Ų102.461%0.60853%0.533SS*.Hα-helixtrans-67.2-30.2174.5-162.5177-172.2-178.72.1112.2D121 I314 D315D121-R318 IonicContact OD1-NH2 2.68Å; D121-R318 IonicContact OD2-CZ 3.16Å; D121-R318 IonicContact OD2-NE 2.61Å; D121-R318 IonicContact OD2-NH2 2.75Å; D121-R318 PolarHBondContact OD2-NH2 2.98Å; I314-R318 PolarHBondContact O-N 2.85Å; D315-R318 PolarHBondContact O-N 3.47Å
319R69.4Low71.1Confident176 Ų176101.1 Ų101.166%0.66454%0.535SS*.Hα-helixtrans-79.9-24.4-179-171.9169.1-64.9-153.1-1.7114.3D315 S316 N317 R322D315-R319 VanDerWaalsContact O-CB 3.25Å; D315-R319 WeakPolarHBondContact O-CB 3.33Å; D315-R319 PolarHBondContact O-N 3.37Å; S316-R319 PolarHBondContact O-N 3.12Å; N317-R319 VanDerWaalsContact C-N 3.32Å; N317-R319 PolarHBondContact O-N 3.47Å; R319-R322 PolarHBondContact O-N 3.14Å
320E64.8Low69.4Low70 Ų70103.8 Ų103.833%0.32755%0.552SS.*Hα-helixtrans-62.2-42.3-178.6172.772160.400112.9K264 S316 R322 R323 Q324K264-E320 IonicContact NZ-OE1 2.73Å; K264-E320 PolarHBondContact NZ-OE1 2.85Å; S316-E320 PolarHBondContact O-N 2.87Å; S316-E320 VanDerWaalsContact O-N 3.14Å; E320-R322 VanDerWaalsContact C-N 3.26Å; E320-R322 PolarHBondContact O-N 3.07Å; E320-R323 PolarHBondContact O-N 3.46Å; E320-Q324 PolarHBondContact OE1-NE2 2.97Å
321G61.7Low67.4Low68 Ų68111.7 Ų111.770%0.70159%0.586SS**Hα-helixtrans-56.6-40.3-179.700000112.7R323G321-R323 VanDerWaalsContact C-N 3.26Å; G321-R323 PolarHBondContact O-N 3.45Å
322R59.3Low65.1Low228 Ų228114.7 Ų114.786%0.8661%0.609SS**THydrogen-bonded Turntrans-78.70.6179.2-159.7172.3179.7177.74114.4R319 E320R319-R322 PolarHBondContact O-N 3.14Å; E320-R322 VanDerWaalsContact C-N 3.26Å; E320-R322 PolarHBondContact O-N 3.07Å
323R55.3Low62.6Low188 Ų188121.4 Ų121.471%0.70962%0.623SS**THydrogen-bonded Turntrans-103.3-4.4-173.7-87.1-173.9152.9-102.4-7.9115.7E320 G321E320-R323 PolarHBondContact O-N 3.46Å; G321-R323 VanDerWaalsContact C-N 3.26Å; G321-R323 PolarHBondContact O-N 3.45Å
324Q48.4Very low60.2Low140 Ų140126.1 Ų126.165%0.65466%0.656SS**  trans-95.61.1-176.8-57.2-162.18.200114.6E320 F326E320-Q324 PolarHBondContact OE1-NE2 2.97Å; Q324-F326 PolarHBondContact O-N 3.26Å
325S42.4Very low58.3Low103 Ų103130.6 Ų130.672%0.7269%0.686SS**SBendtrans-64.9116.8166.1-50.40000110.9G327S325-G327 PolarHBondContact O-N 3.13Å
326F50.5Low55.7Low217 Ų217135.1 Ų135.195%0.95271%0.71SS**SBendtrans-51.4119.3177-59.3-99.2000111.8Q324Q324-F326 PolarHBondContact O-N 3.26Å
327G52.2Low53.2Low66 Ų66134.6 Ų134.668%0.6872%0.717SS**  trans171.2-21.617500000118.4S325 S329S325-G327 PolarHBondContact O-N 3.13Å; G327-S329 VanDerWaalsContact C-N 3.33Å; G327-S329 PolarHBondContact O-N 3.28Å
328S45.4Very low51.3Low125 Ų125138 Ų13887%0.87474%0.741SS**THydrogen-bonded Turntrans-83.664.2-172.1-152.20000114.2
329S52.1Low49.7Very low112 Ų112136.5 Ų136.578%0.78375%0.751SS**THydrogen-bonded Turntrans-155.9-1.9170.8-760000116.5G327G327-S329 VanDerWaalsContact C-N 3.33Å; G327-S329 PolarHBondContact O-N 3.28Å
330L54.5Low48.3Very low152 Ų152134.4 Ų134.480%0.79676%0.759SS**SBendtrans-114.9-3.4-171.7-69.1178.8000116.8
331F48.8Very low47.6Very low174 Ų174139.7 Ų139.776%0.76379%0.785SS**  trans-13071.5180-74.9-70.2000113.8Y333F331-Y333 VanDerWaalsContact C-N 3.31Å; F331-Y333 HydrophobicContact CD1-CD2 4.12Å; F331-Y333 AromaticContact CD1-CE2 3.88Å; F331-Y333 HydrophobicContact CD1-CE2 3.88Å; F331-Y333 HydrophobicContact CE1-CE2 4.39Å; F331-Y333 PolarHBondContact O-N 3.05Å; F331-Y333 VanDerWaalsContact O-N 3.08Å
332T42.2Very low46.6Very low129 Ų129144.5 Ų144.579%0.79179%0.794SS**  trans-78.778165.7-51.50000110.2S334T332-S334 PolarHBondContact O-N 3.5Å
333Y38.8Very low45.3Very low202 Ų202138.8 Ų138.879%0.79279%0.789SS**  trans-85.499.5167.2-93.4-78.6000110.3F331F331-Y333 VanDerWaalsContact C-N 3.31Å; F331-Y333 HydrophobicContact CD1-CD2 4.12Å; F331-Y333 AromaticContact CD1-CE2 3.88Å; F331-Y333 HydrophobicContact CD1-CE2 3.88Å; F331-Y333 HydrophobicContact CE1-CE2 4.39Å; F331-Y333 PolarHBondContact O-N 3.05Å; F331-Y333 VanDerWaalsContact O-N 3.08Å
334S39.2Very low44.4Very low102 Ų102135.2 Ų135.271%0.71379%0.793SS**  trans-70132.1167.3-63.70000110.6T332T332-S334 PolarHBondContact O-N 3.5Å
335P50.8Low43.9Very low113 Ų113134.7 Ų134.773%0.73480%0.802SS**  trans-78.6152.7174.431.7-34.3000112.7
336N36.1Very low43.4Very low171 Ų171139.4 Ų139.491%0.91481%0.809SS**  trans67.1133.6170.4-61.113.6000117.7
337G36.4Very low42.9Very low67 Ų67135.9 Ų135.969%0.69181%0.805SS**  trans164.52.4160.500000123.6
338T45.4Very low41.8Very low135 Ų135138.2 Ų138.283%0.82881%0.811SS**  trans59.1142.8172.457.20000119.6
339P50Low41.5Very low128 Ų128138.3 Ų138.383%0.83181%0.807SS**  trans-96.6132.6174.335.4-30.9000113.5
340T40.7Very low41.1Very low133 Ų133138.9 Ų138.982%0.81681%0.808SS**  trans-139.1124.3165.6-58.20000110.5
341M49.2Very low39.9Very low180 Ų180138.2 Ų138.289%0.88781%0.805SS**  trans-72.9138.9171.7-64.9-85-165.200110.7
342L41.6Very low39.3Very low169 Ų169136.1 Ų136.189%0.88581%0.806SS**  trans-166.3161.1144.6-108.9168.4000113
343S32.2Very low38.9Very low108 Ų108133.4 Ų133.476%0.75580%0.803SS**PPolyproline II helixtrans-74.3158.1-157.3-51.30000117.6
344S34.8Very low38.5Very low114 Ų114132.4 Ų132.480%0.79781%0.811SS**PPolyproline II helixtrans-74.9154.2170-33.30000113.7
345P39.1Very low38.3Very low128 Ų128133.8 Ų133.883%0.83182%0.815SS**PPolyproline II helixtrans-86154.6148.2-9.528.2000111.3
346K31.2Very low37.5Very low203 Ų203135.8 Ų135.888%0.88383%0.825SS**  trans-142.2112.8-175.7-163-179.8-169.41790111.9
347V40.2Very low37.3Very low142 Ų142131 Ų13186%0.86182%0.817SS**  trans-144.2104.1165.7-83.70000106.9
348S29.9Very low37.1Very low116 Ų116133.5 Ų133.581%0.81182%0.819SS**  85.3110.878.9-165.70000112
349T38.5Very low36.3Very low127 Ų127134.8 Ų134.878%0.77982%0.82SS**  trans-87.2169.5176.959.40000110.9
350P44.6Very low35.3Very low124 Ų124132.4 Ų132.481%0.80582%0.819SS**  -132.6-179.979.514.98.7000112.3
351N28.9Very low34.8Very low137 Ų137131 Ų13173%0.73382%0.821SS**  cis-168.6165.4-28.1-179.729000106.9
352V35.8Very low33.9Very low131 Ų131127.9 Ų127.979%0.79482%0.817SS**  trans62142.7177.9-44.60000116.4
353G32.6Very low33.5Very low71 Ų71128 Ų12873%0.73282%0.818SS**  cis144.679.6-300000111.4
354L31.4Very low33.5Very low182 Ų182127.1 Ų127.195%0.95382%0.817SS**  trans-102.4116.4-179.2-94.5147.9000110.9
355T35.4Very low33.5Very low130 Ų130126.8 Ų126.880%0.79881%0.812SS**  trans-118.5143.1170.851.40000110.5G357T355-G357 PolarHBondContact O-N 2.94Å
356V32.6Very low32.9Very low155 Ų155128.2 Ų128.294%0.93981%0.809SS**  trans-54.4133.4171168.30000110.6
357G32.7Very low32.7Very low72 Ų72124.8 Ų124.874%0.74280%0.797SS**  trans-159.1111.1-177.100000113.1T355T355-G357 PolarHBondContact O-N 2.94Å
358T31.8Very low32.2Very low119 Ų119123.9 Ų123.973%0.7378%0.781SS**  trans-61.8152.2-178.853.90000115.7
359N29.3Very low32.4Very low161 Ų161124.5 Ų124.586%0.86177%0.774SS**  trans42.8108.7143-59.2-34.8000119.2
360G29.4Very low32Very low79 Ų79128 Ų12881%0.81478%0.778SS**  trans-158.4110.3171.500000115
361A30.4Very low31.4Very low103 Ų103131.1 Ų131.185%0.85178%0.779SS**  trans-19.3134.4175.800000120
362S30Very low31.3Very low115 Ų115133.2 Ų133.280%0.80479%0.785SS**  trans-75.6147.4160.4-177.90000111.6
363L33.3Very low30.9Very low172 Ų172136 Ų13690%0.90179%0.789SS**  trans-87.6134.1166.5-72.3175.7000110.6
364A31.6Very low30.8Very low89 Ų89135.3 Ų135.374%0.73678%0.782SS**  trans-85.8177.2-173.900000111.8
365P34.4Very low30.7Very low106 Ų106133 Ų13369%0.68878%0.781SS**  -142.5137.559.534.3-14000117.5
366M26.6Very low30.8Very low159 Ų159135.7 Ų135.778%0.78379%0.785SS**  trans60.4148.4138.9-59.5162.46400119.5
367Q27.9Very low30.8Very low131 Ų131134.2 Ų134.261%0.61278%0.778SS**  cis-166169-11.4-101.8-179.532.600105.3
368K28.8Very low31Very low122 Ų122138.6 Ų138.653%0.5378%0.784SS.*  cis-164140.58.2-126.9171.8-177.7141.30109.6
369I34.9Very low31.4Very low129 Ų129138.9 Ų138.966%0.66279%0.788SS**  trans60.6140.5146.1-59.4161.7000120.8M391I369-M391 HydrophobicContact CD1-CE 4.4Å; I369-M391 HydrophobicContact CD1-CG 4.47Å; I369-M391 HydrophobicContact CD1-SD 3.81Å
370K29.4Very low31.4Very low201 Ų201134.9 Ų134.987%0.87478%0.784SS**  trans-141.5126.8164.1169.3-175.8172.21790112
371K33.5Very low31.6Very low189 Ų189138.7 Ų138.782%0.82279%0.791SS**  trans178.7161.5149.4-104.6-173.9171.9-164.70107.1
372E26.6Very low31.7Very low182 Ų182137.1 Ų137.185%0.8579%0.785SS**  cis-138.9-150.532.1-164.6151.879.700113.2
373E27Very low31.9Very low188 Ų188139.7 Ų139.788%0.87979%0.788SS**  trans-108.5164.6-170-174.9-164.1127.200111.2
374G29.7Very low32.9Very low58 Ų58136.6 Ų136.660%0.59878%0.778SS**  trans137.599.3149.600000119.2
375S29.6Very low32.9Very low133 Ų133144.2 Ų144.293%0.9379%0.788SS**  trans72.8156148.4-47.60000121.7
376Q36.7Very low32.8Very low186 Ų186147 Ų14787%0.86980%0.796SS**  trans-76.9159.9174-82.4-179-21.300112.2
377P34.3Very low34.1Very low125 Ų125144.8 Ų144.881%0.81279%0.794SS**  -146.1-175.752.141.4-20.3000118.4
378L35.8Very low34.3Very low164 Ų164145.4 Ų145.486%0.85981%0.806SS**  trans-75.3170.6166.9-62.7167.5000111.3
379P40.7Very low34.4Very low125 Ų125142.6 Ų142.681%0.81281%0.812SS**  cis-130.5179.7-341.6-26.4000114.7
380G29.1Very low34.9Very low76 Ų76141.2 Ų141.278%0.78481%0.811SS**  trans117.7125.514400000120.4
381V34.3Very low35.1Very low159 Ų159138.1 Ų138.196%0.96480%0.802SS**  trans-16.3133.5159.9-174.10000119
382G31.3Very low35.6Very low70 Ų70134.7 Ų134.772%0.72280%0.799SS**  trans173.3160.8163.400000115.7
383I34.6Very low35.7Very low170 Ų170129.3 Ų129.387%0.87279%0.792SS**  trans-127.8-172.6178.1-20.5-179.5000111.1
384P55.1Low36.1Very low106 Ų106129 Ų12969%0.68879%0.79SS**  -120.6175.4-116.442.9-27.5000117.2
385R31.3Very low36.4Very low249 Ų249131.5 Ų131.594%0.9480%0.798SS**  trans176.7-177.5138.8-97161.9125.192.93.2115
386L31.1Very low36.8Very low164 Ų164132.3 Ų132.386%0.85980%0.797SS**  trans-117.7-168.5-162.5-61.1166000112.6
387P54Low37.1Very low113 Ų113128.6 Ų128.673%0.73480%0.799SS**  -134-170.3-70.541.5-24.1000114.8
388V33.1Very low37.7Very low144 Ų144127.3 Ų127.387%0.87380%0.798SS**  trans132.8149156.4170.90000115.7
389G29.6Very low38.2Very low63 Ų63125.4 Ų125.465%0.64979%0.793SS**  trans-128.3-148.3175.100000112.7
390P46.1Very low38.5Very low100 Ų100128.2 Ų128.265%0.64980%0.795SS**  cis-148.31550.341.6-21000119.9
391M34.3Very low39.2Very low136 Ų136128.5 Ų128.567%0.6779%0.79SS**  trans58170.3150.6-64.5-65.8-69.800120.9I369I369-M391 HydrophobicContact CD1-CE 4.4Å; I369-M391 HydrophobicContact CD1-CG 4.47Å; I369-M391 HydrophobicContact CD1-SD 3.81Å
392P43.5Very low39.7Very low118 Ų118124.1 Ų124.177%0.76677%0.771SS**  cis-128.7174.1-15.640.4-25.3000115.8
393G27.7Very low40.4Very low68 Ų68124.2 Ų124.270%0.70177%0.765SS**  trans147.5125.5149.900000120.9
394H35.8Very low41Very low183 Ų183119.5 Ų119.585%0.84775%0.751SS**  trans53.9105.1151.4-64.9-75.6000124.7
395S36.8Very low40.7Very low109 Ų109117.1 Ų117.176%0.76274%0.741SS**  51.6106.5123.6-52.50000123.1
396V36.8Very low41.8Very low151 Ų151112.3 Ų112.392%0.91573%0.729SS**  trans-136.5130144.2-73.90000110.9
397A44.2Very low42.8Very low108 Ų108107.8 Ų107.889%0.89372%0.715SS**  trans-146.215.3-177.100000114.1
398A46.7Very low42.6Very low97 Ų97104.9 Ų104.980%0.80270%0.7SS**SBendtrans-1177-162.900000115.7
399V46.9Very low43.6Very low124 Ų124104.5 Ų104.575%0.75269%0.691SS**SBendtrans-115.6-32.5-174.3-175.40000113A401 A402V399-A401 PolarHBondContact O-N 3.34Å; V399-A401 VanDerWaalsContact O-N 3.11Å; V399-A402 PolarHBondContact O-N 2.88Å
400Q45.8Very low44.8Very low185 Ų185104.5 Ų104.586%0.86468%0.684SS**THydrogen-bonded Turntrans-75.3-2.1-170.7-151.5162.621.500114.7
401A44.3Very low45.2Very low82 Ų82102.8 Ų102.868%0.67868%0.679SS**Hα-helixtrans-80.3-24.3175.900000113.9V399V399-A401 PolarHBondContact O-N 3.34Å; V399-A401 VanDerWaalsContact O-N 3.11Å
402A45.1Very low46.1Very low67 Ų67102.1 Ų102.155%0.55467%0.674SS**Hα-helixtrans-73.3-41.5-172.500000113.5V399 A404 A405V399-A402 PolarHBondContact O-N 2.88Å; A402-A404 PolarHBondContact O-N 2.99Å; A402-A405 PolarHBondContact O-N 3.46Å
403A46.7Very low46.8Very low72 Ų72101 Ų10160%0.59566%0.664SS**Hα-helixtrans-68.5-34.9-174.500000113.4A405A403-A405 VanDerWaalsContact C-N 3.33Å; A403-A405 PolarHBondContact O-N 3.08Å
404A46.3Very low48.3Very low70 Ų70100.3 Ų100.358%0.57965%0.653SS**Hα-helixtrans-66.9-33.6179.200000112.7A402 A408A402-A404 PolarHBondContact O-N 2.99Å; A404-A408 PolarHBondContact O-N 3.05Å
405A49.5Very low49.3Very low57 Ų5794 Ų9447%0.47163%0.632SS.*Hα-helixtrans-67-37.4-179.600000112.8A402 A403 A408 M409A402-A405 PolarHBondContact O-N 3.46Å; A403-A405 VanDerWaalsContact C-N 3.33Å; A403-A405 PolarHBondContact O-N 3.08Å; A405-A408 PolarHBondContact O-N 3.46Å; A405-M409 PolarHBondContact O-N 2.86Å; A405-M409 VanDerWaalsContact O-N 3.14Å
406Q53.2Low50.2Low148 Ų14894.6 Ų94.669%0.69263%0.626SS**Hα-helixtrans-70.2-38.6-178.1-67.1-178.1-49.400112.4A408 M409 A410Q406-A408 VanDerWaalsContact C-N 3.33Å; Q406-A408 PolarHBondContact O-N 3.46Å; Q406-M409 PolarHBondContact O-N 3.17Å; Q406-A410 PolarHBondContact O-N 3.35Å; Q406-A410 VanDerWaalsContact O-N 3.09Å
407A51.5Low51.4Low69 Ų6994 Ų9457%0.5761%0.613SS**Hα-helixtrans-62.5-39.817400000112.2A410 A411A407-A410 PolarHBondContact O-N 3.5Å; A407-A411 PolarHBondContact O-N 2.99Å
408A50.6Low51.9Low51 Ų5195.5 Ų95.542%0.42160%0.602SS.*Hα-helixtrans-68.2-31.7177.400000113.3A404 A405 Q406 Q412A404-A408 PolarHBondContact O-N 3.05Å; A405-A408 PolarHBondContact O-N 3.46Å; Q406-A408 VanDerWaalsContact C-N 3.33Å; Q406-A408 PolarHBondContact O-N 3.46Å; A408-Q412 PolarHBondContact O-N 3.42Å; A408-Q412 PolarHBondContact O-NE2 3.24Å
409M54.1Low51.9Low137 Ų13795.6 Ų95.668%0.67559%0.588SS**Hα-helixtrans-72.7-41.4173.7-84.5-175.5161.400112.6A405 Q406 A411 Q412 V413A405-M409 PolarHBondContact O-N 2.86Å; A405-M409 VanDerWaalsContact O-N 3.14Å; Q406-M409 PolarHBondContact O-N 3.17Å; M409-A411 VanDerWaalsContact C-N 3.3Å; M409-A411 PolarHBondContact O-N 3.29Å; M409-Q412 PolarHBondContact O-N 2.85Å; M409-Q412 VanDerWaalsContact O-N 3.08Å; M409-V413 WeakPolarHBondContact O-CG2 3.31Å; M409-V413 PolarHBondContact O-N 3.44Å
410A55.5Low52.1Low62 Ų6297 Ų9751%0.51258%0.58SS.*Hα-helixtrans-58.5-41.5178.300000112.3Q406 A407 Q412 V413 A414Q406-A410 PolarHBondContact O-N 3.35Å; Q406-A410 VanDerWaalsContact O-N 3.09Å; A407-A410 PolarHBondContact O-N 3.5Å; A410-Q412 VanDerWaalsContact C-N 3.35Å; A410-Q412 PolarHBondContact O-N 2.98Å; A410-V413 PolarHBondContact O-N 3.46Å; A410-A414 PolarHBondContact O-N 3.27Å; A410-A414 VanDerWaalsContact O-N 3.12Å
411A54.4Low52.2Low65 Ų6594.3 Ų94.354%0.53757%0.572SS.*Hα-helixtrans-63.7-36.1175.300000113.2A407 M409 A415A407-A411 PolarHBondContact O-N 2.99Å; M409-A411 VanDerWaalsContact C-N 3.3Å; M409-A411 PolarHBondContact O-N 3.29Å; A411-A415 WeakPolarHBondContact O-CB 3.39Å; A411-A415 PolarHBondContact O-N 2.88Å
412Q53.1Low52.5Low122 Ų12298.4 Ų98.457%0.5757%0.574SS**Hα-helixtrans-73.7-35.1177.9-75.817081.400112.7A408 M409 A410 A415 L416A408-Q412 PolarHBondContact O-N 3.42Å; A408-Q412 PolarHBondContact O-NE2 3.24Å; M409-Q412 PolarHBondContact O-N 2.85Å; M409-Q412 VanDerWaalsContact O-N 3.08Å; A410-Q412 VanDerWaalsContact C-N 3.35Å; A410-Q412 PolarHBondContact O-N 2.98Å; Q412-A415 PolarHBondContact O-N 3.29Å; Q412-L416 WeakPolarHBondContact O-CG 3.48Å; Q412-L416 PolarHBondContact O-N 3.31Å
413V58.7Low52.5Low93 Ų93101.6 Ų101.656%0.56458%0.581SS**Hα-helixtrans-64.6-46.5173.5173.90000110.7M409 A410 A415 L416 E417M409-V413 WeakPolarHBondContact O-CG2 3.31Å; M409-V413 PolarHBondContact O-N 3.44Å; A410-V413 PolarHBondContact O-N 3.46Å; V413-A415 VanDerWaalsContact C-N 3.31Å; V413-A415 PolarHBondContact O-N 3.31Å; V413-L416 PolarHBondContact O-N 3.16Å; V413-E417 PolarHBondContact O-N 3.23Å
414A58.1Low52.1Low55 Ų55104.8 Ų104.846%0.45558%0.584SS.*Hα-helixtrans-62.2-36.417600000112.9A410 Q418A410-A414 PolarHBondContact O-N 3.27Å; A410-A414 VanDerWaalsContact O-N 3.12Å; A414-Q418 WeakPolarHBondContact O-CG 3.44Å; A414-Q418 PolarHBondContact O-N 3.38Å
415A56.6Low51.9Low51 Ų51105.6 Ų105.642%0.42159%0.591SS.*Hα-helixtrans-68.2-37174.500000112.9A411 Q412 V413 Q418 L419A411-A415 WeakPolarHBondContact O-CB 3.39Å; A411-A415 PolarHBondContact O-N 2.88Å; Q412-A415 PolarHBondContact O-N 3.29Å; V413-A415 VanDerWaalsContact C-N 3.31Å; V413-A415 PolarHBondContact O-N 3.31Å; A415-Q418 PolarHBondContact O-N 2.93Å; A415-L419 VanDerWaalsContact O-CD1 3.27Å; A415-L419 WeakPolarHBondContact O-CD1 3.19Å; A415-L419 PolarHBondContact O-N 3.46Å
416L56.8Low51.4Low121 Ų121106 Ų10663%0.63460%0.6SS**Hα-helixtrans-69.2-36.3175.9-78.7167.7000112.5Q412 V413 L419 R420Q412-L416 WeakPolarHBondContact O-CG 3.48Å; Q412-L416 PolarHBondContact O-N 3.31Å; V413-L416 PolarHBondContact O-N 3.16Å; L416-L419 PolarHBondContact O-N 3.34Å; L416-L419 VanDerWaalsContact O-N 3.16Å; L416-R420 PolarHBondContact O-N 3.23Å
417E62.3Low50.7Low138 Ų138106.2 Ų106.265%0.64560%0.601SS**Hα-helixtrans-62.3-44.2174.3-163.5165.591.400111.2V413 L419 R420 D421V413-E417 PolarHBondContact O-N 3.23Å; E417-L419 VanDerWaalsContact C-N 3.26Å; E417-L419 PolarHBondContact O-N 3.23Å; E417-R420 PolarHBondContact O-N 3.49Å; E417-R420 VanDerWaalsContact O-N 3.1Å; E417-D421 PolarHBondContact O-N 3.22Å
418Q52.8Low50.1Low139 Ų139108.6 Ų108.665%0.6561%0.611SS**Hα-helixtrans-63.3-23.9172.7-74.1-78-73.900114.5A414 A415 K422A414-Q418 WeakPolarHBondContact O-CG 3.44Å; A414-Q418 PolarHBondContact O-N 3.38Å; A415-Q418 PolarHBondContact O-N 2.93Å; Q418-K422 WeakPolarHBondContact O-CD 3.31Å
419L48.2Very low50.3Low99 Ų99110.5 Ų110.552%0.51862%0.619SS.*Hα-helixtrans-83.8-29.7171.5-95.578000112.6A415 L416 E417 K422 L423A415-L419 VanDerWaalsContact O-CD1 3.27Å; A415-L419 WeakPolarHBondContact O-CD1 3.19Å; A415-L419 PolarHBondContact O-N 3.46Å; L416-L419 PolarHBondContact O-N 3.34Å; L416-L419 VanDerWaalsContact O-N 3.16Å; E417-L419 VanDerWaalsContact C-N 3.26Å; E417-L419 PolarHBondContact O-N 3.23Å; L419-K422 PolarHBondContact O-N 3.15Å; L419-L423 PolarHBondContact O-N 2.84Å
420R50.1Low49.5Very low155 Ų155112.6 Ų112.659%0.58563%0.627SS**Hα-helixtrans-65.2-50.1-179-174.5-179.9171.4-160.6-11.3112L416 E417 K422 L423 E424L416-R420 PolarHBondContact O-N 3.23Å; E417-R420 PolarHBondContact O-N 3.49Å; E417-R420 VanDerWaalsContact O-N 3.1Å; R420-K422 PolarHBondContact O-N 2.92Å; R420-K422 VanDerWaalsContact O-N 3.14Å; R420-L423 PolarHBondContact O-N 2.96Å; R420-E424 IonicContact CZ-OE2 3.02Å; R420-E424 VanDerWaalsContact CZ-OE2 3.31Å; R420-E424 IonicContact NE-OE2 3.4Å; R420-E424 PolarHBondContact NE-OE2 2.86Å; R420-E424 IonicContact NH2-OE1 2.79Å; R420-E424 PolarHBondContact NH2-OE1 2.79Å; R420-E424 IonicContact NH2-OE2 2.67Å; R420-E424 PolarHBondContact NH2-OE2 3.03Å; R420-E424 PolarHBondContact O-N 3.38Å
421D49.3Very low48.6Very low128 Ų128119.7 Ų119.768%0.68465%0.646SS**THydrogen-bonded Turntrans-55.7-32.3176.3-107.9-101.4000112.4E417 L423E417-D421 PolarHBondContact O-N 3.22Å; D421-L423 VanDerWaalsContact C-N 3.34Å
422K49.7Very low47.9Very low168 Ų168125.9 Ų125.973%0.7366%0.661SS**THydrogen-bonded Turntrans-84.9-2.5179.3-66173.363-176.60114.2Q418 L419 R420Q418-K422 WeakPolarHBondContact O-CD 3.31Å; L419-K422 PolarHBondContact O-N 3.15Å; R420-K422 PolarHBondContact O-N 2.92Å; R420-K422 VanDerWaalsContact O-N 3.14Å
423L45.1Very low47.2Very low133 Ų133129 Ų12970%0.69668%0.678SS**THydrogen-bonded Turntrans-117.4-17.9176.8-86162.1000113.2L419 R420 D421 A425L419-L423 PolarHBondContact O-N 2.84Å; R420-L423 PolarHBondContact O-N 2.96Å; D421-L423 VanDerWaalsContact C-N 3.34Å; L423-A425 PolarHBondContact O-N 2.98Å
424E39.3Very low46.1Very low139 Ų139129.3 Ų129.365%0.6569%0.69SS**SBendtrans-83.84.4173.2-138.6158.6117.800112.3R420R420-E424 IonicContact CZ-OE2 3.02Å; R420-E424 VanDerWaalsContact CZ-OE2 3.31Å; R420-E424 IonicContact NE-OE2 3.4Å; R420-E424 PolarHBondContact NE-OE2 2.86Å; R420-E424 IonicContact NH2-OE1 2.79Å; R420-E424 PolarHBondContact NH2-OE1 2.79Å; R420-E424 IonicContact NH2-OE2 2.67Å; R420-E424 PolarHBondContact NH2-OE2 3.03Å; R420-E424 PolarHBondContact O-N 3.38Å
425A40.7Very low45.4Very low88 Ų88133.8 Ų133.873%0.72771%0.705SS**SBendtrans-105.317-172.200000115.8L423L423-A425 PolarHBondContact O-N 2.98Å
426G38.6Very low44.9Very low64 Ų64135.1 Ų135.166%0.6671%0.71SS**  trans-176.9143.3171.300000110.8
427E39.3Very low44.7Very low154 Ų154133.3 Ų133.372%0.7271%0.712SS**  cis-138.2-175.27.8-152.1-170.9153.800108.9P429E427-P429 VanDerWaalsContact OE1-CA 3.23Å; E427-P429 WeakPolarHBondContact OE1-CA 3.23Å; E427-P429 WeakPolarHBondContact OE1-CB 3.16Å
428P38.9Very low44.3Very low119 Ų119133.2 Ų133.277%0.77371%0.712SS**  -134.9138.6102.536.5-28.4000114
429P54Low44.4Very low90 Ų90131 Ų13158%0.58470%0.701SS**  trans-75.5135.4175.730.5-34000111E427E427-P429 VanDerWaalsContact OE1-CA 3.23Å; E427-P429 WeakPolarHBondContact OE1-CA 3.23Å; E427-P429 WeakPolarHBondContact OE1-CB 3.16Å
430E37.7Very low44.6Very low181 Ų181133.9 Ų133.985%0.84671%0.712SS**  trans179.584.7135.2-102.8-176.7169.500112.3
431K36.2Very low44.9Very low211 Ų211133 Ų13392%0.91771%0.714SS**  trans-169.287.3148.1-101.5140.5-163.9165.50111.9
432K40.8Very low45.8Very low195 Ų195134 Ų13485%0.84871%0.708SS**  trans-69.1171.3150-75.1-174.4174.7179.90109.3
433M38.9Very low46.7Very low189 Ų189131.3 Ų131.393%0.93170%0.701SS**  trans80.870168.2-47.1178.7-16900117
434A35.8Very low47.9Very low98 Ų98130.9 Ų130.981%0.8170%0.699SS**  trans-16750.3142.900000113.3
435L42Very low49.4Very low150 Ų150129.8 Ų129.879%0.78569%0.694SS**  trans-75.8125.7158.9-91.1168.9000107.9
436P47.2Very low50.9Low79 Ų79134.5 Ų134.551%0.51369%0.693SS.*  trans-70.2152.9178.230-34.7000111.2E438P436-E438 PolarHBondContact O-N 2.91Å
437A51.3Low52.2Low82 Ų82134 Ų13468%0.67868%0.683SS**THydrogen-bonded Turntrans-67.3-16.7-173.100000114E439 H440 H441A437-E439 VanDerWaalsContact C-N 3.31Å; A437-E439 PolarHBondContact O-N 2.87Å; A437-H440 PolarHBondContact O-N 2.77Å; A437-H441 PolarHBondContact O-N 3.14Å
438E54.3Low53.5Low137 Ų137132.9 Ų132.964%0.6468%0.681SS**Hα-helixtrans-45.7-45.5174.9-9164.3-152.700114.3P436 H441 R442P436-E438 PolarHBondContact O-N 2.91Å; E438-H441 WeakPolarHBondContact O-CB 3.39Å; E438-H441 PolarHBondContact O-N 3.24Å; E438-H441 VanDerWaalsContact O-N 3.17Å; E438-R442 WeakPolarHBondContact O-CB 3.46Å; E438-R442 PolarHBondContact O-N 2.99Å
439E55Low54.8Low91 Ų91133 Ų13343%0.42567%0.671SS.*Hα-helixtrans-70.2-38.7-170-73-134115.100113.3A437 H441 R442 L443A437-E439 VanDerWaalsContact C-N 3.31Å; A437-E439 PolarHBondContact O-N 2.87Å; E439-H441 VanDerWaalsContact C-N 3.28Å; E439-H441 PolarHBondContact O-N 3.3Å; E439-R442 PolarHBondContact O-N 3.21Å; E439-R442 IonicContact OE1-CZ 3.11Å; E439-R442 IonicContact OE1-NH1 3.26Å; E439-R442 PolarHBondContact OE1-NH1 3.47Å; E439-R442 IonicContact OE1-NH2 3.19Å; E439-R442 PolarHBondContact OE1-NH2 3.48Å; E439-L443 WeakPolarHBondContact O-CB 3.47Å; E439-L443 PolarHBondContact O-N 2.66Å
440H51.4Low54.9Low160 Ų160135.3 Ų135.374%0.74167%0.674SS**Hα-helixtrans-64.6-35.5172.2-93.9-83000111.5A437 L444A437-H440 PolarHBondContact O-N 2.77Å; H440-L444 WeakPolarHBondContact O-CB 3.35Å; H440-L444 PolarHBondContact O-N 3.3Å
441H56.8Low55.9Low138 Ų138131.2 Ų131.264%0.63966%0.658SS**Hα-helixtrans-68.1-45.7176.9-148.2102.8000111.5A437 E438 E439 L443 L444 Q445A437-H441 PolarHBondContact O-N 3.14Å; E438-H441 WeakPolarHBondContact O-CB 3.39Å; E438-H441 PolarHBondContact O-N 3.24Å; E438-H441 VanDerWaalsContact O-N 3.17Å; E439-H441 VanDerWaalsContact C-N 3.28Å; E439-H441 PolarHBondContact O-N 3.3Å; H441-L443 VanDerWaalsContact C-N 3.34Å; H441-L443 PolarHBondContact O-N 2.66Å; H441-L444 PolarHBondContact O-N 3Å; H441-Q445 WeakPolarHBondContact O-CB 3.41Å; H441-Q445 PolarHBondContact O-N 3.26Å
442R68.3Low57Low149 Ų149126.7 Ų126.756%0.56264%0.643SS**Hα-helixtrans-62.5-39.4176.7-163.5-175.575.7-128-4.3111.9E438 E439 R446E438-R442 WeakPolarHBondContact O-CB 3.46Å; E438-R442 PolarHBondContact O-N 2.99Å; E439-R442 PolarHBondContact O-N 3.21Å; E439-R442 IonicContact OE1-CZ 3.11Å; E439-R442 IonicContact OE1-NH1 3.26Å; E439-R442 PolarHBondContact OE1-NH1 3.47Å; E439-R442 IonicContact OE1-NH2 3.19Å; E439-R442 PolarHBondContact OE1-NH2 3.48Å; R442-R446 WeakPolarHBondContact O-CB 3.36Å; R442-R446 PolarHBondContact O-N 2.97Å
443L69.4Low57.9Low111 Ų111122.8 Ų122.858%0.58163%0.631SS**Hα-helixtrans-68.9-42.9176.7-173.862.3000111.8E439 H441 R446 A447E439-L443 WeakPolarHBondContact O-CB 3.47Å; E439-L443 PolarHBondContact O-N 2.66Å; H441-L443 VanDerWaalsContact C-N 3.34Å; H441-L443 PolarHBondContact O-N 2.66Å; L443-R446 PolarHBondContact O-N 3.36Å; L443-A447 WeakPolarHBondContact O-CB 3.3Å; L443-A447 PolarHBondContact O-N 3.25Å
444L69.6Low58.5Low123 Ų123115.8 Ų115.864%0.64460%0.603SS**Hα-helixtrans-64-40.9176.6-174.763.7000111.9H440 H441 R446 A447 L448H440-L444 WeakPolarHBondContact O-CB 3.35Å; H440-L444 PolarHBondContact O-N 3.3Å; H441-L444 PolarHBondContact O-N 3Å; L444-R446 VanDerWaalsContact C-N 3.34Å; L444-R446 PolarHBondContact O-N 3.22Å; L444-A447 PolarHBondContact O-N 3.35Å; L444-L448 PolarHBondContact O-N 3.47Å
445Q70.9Confident59.1Low116 Ų116117.8 Ų117.854%0.54260%0.597SS.*Hα-helixtrans-66.1-35.8175.9-165.8178.330.500112.3H441 Q449H441-Q445 WeakPolarHBondContact O-CB 3.41Å; H441-Q445 PolarHBondContact O-N 3.26Å; Q445-Q449 PolarHBondContact O-N 3.36Å
446R72.1Confident59.3Low188 Ų188115.4 Ų115.471%0.70959%0.589SS**Hα-helixtrans-68.3-40173-163.5179.3-170101.4-2.5111.8R442 L443 L444 H450R442-R446 WeakPolarHBondContact O-CB 3.36Å; R442-R446 PolarHBondContact O-N 2.97Å; L443-R446 PolarHBondContact O-N 3.36Å; L444-R446 VanDerWaalsContact C-N 3.34Å; L444-R446 PolarHBondContact O-N 3.22Å; R446-H450 WeakPolarHBondContact O-CB 3.39Å; R446-H450 PolarHBondContact O-N 3.07Å
447A65.6Low59.4Low54 Ų54115.5 Ų115.545%0.44660%0.596SS.*Hα-helixtrans-65.6-38.4175.200000112.3L443 L444 H450 N451L443-A447 WeakPolarHBondContact O-CB 3.3Å; L443-A447 PolarHBondContact O-N 3.25Å; L444-A447 PolarHBondContact O-N 3.35Å; A447-H450 PolarHBondContact O-N 3.38Å; A447-N451 WeakPolarHBondContact O-CB 3.25Å; A447-N451 PolarHBondContact O-N 3.08Å
448L67.3Low59Low129 Ų129119.3 Ų119.368%0.67560%0.6SS**Hα-helixtrans-64.6-44.3176.8-16674.1000111.8L444 N451 L452L444-L448 PolarHBondContact O-N 3.47Å; L448-N451 PolarHBondContact O-N 2.97Å; L448-L452 PolarHBondContact O-N 3.19Å; L448-L452 VanDerWaalsContact O-N 3.08Å
449Q65.7Low58.4Low123 Ų123119.3 Ų119.358%0.57560%0.603SS**Hα-helixtrans-63.1-45.1173.6-73.3-179.162.100111.8Q445 N451 L452 L453Q445-Q449 PolarHBondContact O-N 3.36Å; Q449-N451 VanDerWaalsContact C-N 3.28Å; Q449-N451 PolarHBondContact O-N 3.28Å; Q449-L452 PolarHBondContact O-N 3.22Å; Q449-L453 WeakPolarHBondContact O-CD1 3.48Å; Q449-L453 PolarHBondContact O-N 3.35Å
450H55.6Low57.6Low138 Ų138120.6 Ų120.664%0.63962%0.619SS**Hα-helixtrans-62.5-34.4177.2-168.9-67.2000112.5R446 A447 A454R446-H450 WeakPolarHBondContact O-CB 3.39Å; R446-H450 PolarHBondContact O-N 3.07Å; A447-H450 PolarHBondContact O-N 3.38Å; H450-A454 VanDerWaalsContact O-CB 3.26Å; H450-A454 WeakPolarHBondContact O-CB 3.44Å; H450-A454 PolarHBondContact O-N 3.13Å
451N58.6Low56.9Low95 Ų95120.1 Ų120.151%0.50862%0.619SS.*Hα-helixtrans-70.3-38.3176.1-168.4-109.2000112A447 L448 Q449 A454 M455A447-N451 WeakPolarHBondContact O-CB 3.25Å; A447-N451 PolarHBondContact O-N 3.08Å; L448-N451 PolarHBondContact O-N 2.97Å; Q449-N451 VanDerWaalsContact C-N 3.28Å; Q449-N451 PolarHBondContact O-N 3.28Å; N451-A454 PolarHBondContact O-N 3.14Å; N451-M455 PolarHBondContact O-N 2.93Å
452L60.1Low56.1Low115 Ų115119.3 Ų119.360%0.60262%0.619SS**Hα-helixtrans-65.8-42.8174.8-171.562.7000111.9L448 Q449 M455 T456L448-L452 PolarHBondContact O-N 3.19Å; L448-L452 VanDerWaalsContact O-N 3.08Å; Q449-L452 PolarHBondContact O-N 3.22Å; L452-M455 WeakPolarHBondContact O-CB 3.39Å; L452-M455 PolarHBondContact O-N 3.25Å; L452-T456 PolarHBondContact O-N 3.44Å; L452-T456 VanDerWaalsContact O-N 3.14Å
453L59Low54.7Low114 Ų114118.5 Ų118.560%0.59763%0.625SS**Hα-helixtrans-63.9-39.4173.2-92.964.7000112Q449 M455 T456 A457Q449-L453 WeakPolarHBondContact O-CD1 3.48Å; Q449-L453 PolarHBondContact O-N 3.35Å; L453-M455 VanDerWaalsContact C-N 3.27Å; L453-M455 PolarHBondContact O-N 3.37Å; L453-T456 WeakPolarHBondContact CA-OG1 3.26Å; L453-T456 PolarHBondContact O-N 2.93Å; L453-T456 VanDerWaalsContact O-N 3.13Å; L453-T456 PolarHBondContact O-OG1 2.73Å; L453-A457 PolarHBondContact O-N 3.34Å
454A53Low53.5Low42 Ų42123.5 Ų123.535%0.34764%0.636SS.*Hα-helixtrans-66.7-25.8174.500000113.2H450 N451H450-A454 VanDerWaalsContact O-CB 3.26Å; H450-A454 WeakPolarHBondContact O-CB 3.44Å; H450-A454 PolarHBondContact O-N 3.13Å; N451-A454 PolarHBondContact O-N 3.14Å
455M47.7Very low52.6Low139 Ų139125.2 Ų125.269%0.68564%0.644SS**Hα-helixtrans-74-32.7169.9-77.8-170.9162.600112.6N451 L452 L453 A457N451-M455 PolarHBondContact O-N 2.93Å; L452-M455 WeakPolarHBondContact O-CB 3.39Å; L452-M455 PolarHBondContact O-N 3.25Å; L453-M455 VanDerWaalsContact C-N 3.27Å; L453-M455 PolarHBondContact O-N 3.37Å; M455-A457 VanDerWaalsContact C-N 3.3Å
456T47.2Very low50.7Low101 Ų101126 Ų12662%0.6265%0.652SS**Hα-helixtrans-73.4-19.9171.450.60000113.6L452 L453 Q458L452-T456 PolarHBondContact O-N 3.44Å; L452-T456 VanDerWaalsContact O-N 3.14Å; L453-T456 WeakPolarHBondContact CA-OG1 3.26Å; L453-T456 PolarHBondContact O-N 2.93Å; L453-T456 VanDerWaalsContact O-N 3.13Å; L453-T456 PolarHBondContact O-OG1 2.73Å; T456-Q458 VanDerWaalsContact C-N 3.32Å; T456-Q458 PolarHBondContact O-N 3.2Å
457A48.3Very low49.4Very low80 Ų80124.2 Ų124.266%0.66166%0.657SS**THydrogen-bonded Turntrans-81.83.4-176.200000115.5L453 M455L453-A457 PolarHBondContact O-N 3.34Å; M455-A457 VanDerWaalsContact C-N 3.3Å
458Q44.2Very low48.2Very low162 Ų162130 Ų13076%0.75768%0.675SS**  trans-110.552.2-179.4-77.1-172.87800113.6T456 P460T456-Q458 VanDerWaalsContact C-N 3.32Å; T456-Q458 PolarHBondContact O-N 3.2Å; Q458-P460 VanDerWaalsContact C-CD 3.48Å; Q458-P460 VanDerWaalsContact O-CD 3.24Å; Q458-P460 WeakPolarHBondContact O-CD 3.33Å
459I41.3Very low47Very low137 Ų137131.7 Ų131.770%0.70368%0.684SS**  trans-105.687.9161-53.1-178.3000108.5M461I459-M461 PolarHBondContact O-N 3.28Å
460P38.2Very low45.6Very low118 Ų118129.1 Ų129.177%0.76669%0.691SS**  trans-70.198.2175.728.5-33.9000110.5Q458 N462Q458-P460 VanDerWaalsContact C-CD 3.48Å; Q458-P460 VanDerWaalsContact O-CD 3.24Å; Q458-P460 WeakPolarHBondContact O-CD 3.33Å; P460-N462 PolarHBondContact O-N 2.93Å
461M35.9Very low45.3Very low151 Ų151133.7 Ų133.774%0.74470%0.702SS**  trans-67.566.7177.2-81.2-86-78.800112.8I459 I463I459-M461 PolarHBondContact O-N 3.28Å; M461-I463 HydrophobicContact CE-CD1 4.15Å; M461-I463 PolarHBondContact O-N 2.83Å
462N39.7Very low44.3Very low120 Ų120138.6 Ų138.664%0.64272%0.722SS**  trans-89.484.1173.6-155.1-84.1000110.3P460 R464P460-N462 PolarHBondContact O-N 2.93Å; N462-R464 VanDerWaalsContact C-N 3.27Å; N462-R464 PolarHBondContact O-N 3.48Å; N462-R464 WeakPolarHBondContact OD1-CG 3.31Å
463I39.1Very low43.4Very low133 Ų133141.7 Ų141.768%0.68273%0.734SS**  trans-72.983.3178.7-58.6172.1000109.9M461 I465M461-I463 HydrophobicContact CE-CD1 4.15Å; M461-I463 PolarHBondContact O-N 2.83Å; I463-I465 HydrophobicContact CG2-CG1 4.34Å
464R44.1Very low42.9Very low216 Ų216141.3 Ų141.382%0.81574%0.741SS**  trans-91.7107.4163-81.9176.3174.4-170.3-2109N462 N466N462-R464 VanDerWaalsContact C-N 3.27Å; N462-R464 PolarHBondContact O-N 3.48Å; N462-R464 WeakPolarHBondContact OD1-CG 3.31Å; R464-N466 PolarHBondContact O-N 2.71Å; R464-N466 VanDerWaalsContact O-N 3.11Å
465I50.2Low43Very low159 Ų159142 Ų14282%0.81575%0.746SS**  trans-66.9107.7175.8-59169.7000108.8I463I463-I465 HydrophobicContact CG2-CG1 4.34Å
466N31.4Very low43.5Very low133 Ų133140.8 Ų140.871%0.71174%0.742SS**  trans-150.3122.7163.6-178.977.5000110.2R464 Q468R464-N466 PolarHBondContact O-N 2.71Å; R464-N466 VanDerWaalsContact O-N 3.11Å; N466-Q468 PolarHBondContact O-N 3.27Å
467N46.3Very low44.7Very low150 Ų150141 Ų14180%0.80274%0.74SS**  trans-70.5120174-75.79000110.7
468Q39.3Very low45.7Very low176 Ų176142.8 Ų142.882%0.82274%0.737SS**  trans-161.4153.5139.9-115166.811.100111.8N466N466-Q468 PolarHBondContact O-N 3.27Å
469D42.9Very low47.2Very low163 Ų163138.9 Ų138.987%0.87273%0.725SS**  trans-71.2143.1-165.3-50.6-108.5000114.3
470G36Very low48.5Very low70 Ų70137.9 Ų137.972%0.72273%0.725SS**  trans168.282.6170.200000117.3
471R48.7Very low49.5Very low233 Ų233137.5 Ų137.588%0.87972%0.716SS**  trans22.4113.7157.6-79179160.5174.7-7.1118.5
472Q38.8Very low51Low198 Ų198132.8 Ų132.893%0.92571%0.707SS**  trans-151143138.1-116.3149.1101.800110.1
473E40Very low52.2Low180 Ų180133.8 Ų133.884%0.84172%0.718SS**  trans-99.3120.2-170.5-66.1179-169.500111.1
474S47.9Very low53.8Low106 Ų106132 Ų13274%0.74171%0.709SS**  trans-16661160.2-81.70000112.5L476S474-L476 PolarHBondContact O-N 2.91Å
475A56.8Low55.5Low57 Ų57122.8 Ų122.847%0.47168%0.678SS.*SBendtrans487.8153.900000121.5V490 E491A475-V490 WeakPolarHBondContact O-CA 3.45Å; A475-E491 PolarHBondContact O-N 2.87Å
476L56.9Low57.2Low113 Ų113118.6 Ų118.659%0.59266%0.657SS**EExtended strand (participates in β ladder)trans-134.6112.8-175.2-63.8171.8000110S474 L478 V490S474-L476 PolarHBondContact O-N 2.91Å; L476-L478 HydrophobicContact CB-CD1 4.42Å; L476-V490 HydrophobicContact CD2-CB 4.13Å; L476-V490 HydrophobicContact CD2-CG2 3.79Å
477N73.6Confident59.6Low106 Ų106113.9 Ų113.957%0.56763%0.634SS**EExtended strand (participates in β ladder)trans-114.4129.1171.6-60.2-94.9000109.6M488 S489N477-M488 WeakPolarHBondContact O-CA 3.24Å; N477-S489 PolarHBondContact N-O 2.89Å; N477-S489 PolarHBondContact O-N 3.23Å
478L69.6Low61.4Low118 Ų118110.3 Ų110.362%0.61861%0.614SS**EExtended strand (participates in β ladder)trans-122.1121.7176.6-69.285000109.1L476 I486 S487L476-L478 HydrophobicContact CB-CD1 4.42Å; L478-I486 HydrophobicContact CB-CG2 4.45Å; L478-I486 HydrophobicContact CD2-CG2 4.4Å; L478-S487 WeakPolarHBondContact CA-O 3.48Å
479T73.7Confident63.5Low80 Ų80103.4 Ų103.449%0.49159%0.585SS.*EExtended strand (participates in β ladder)trans-120.9115.9177.4-53.80000109.1N481 S487T479-N481 PolarHBondContact O-N 3.24Å; T479-S487 PolarHBondContact N-O 3.08Å; T479-S487 WeakPolarHBondContact O-CB 3.44Å; T479-S487 PolarHBondContact O-N 3.43Å
480T68.7Low65.6Low115 Ų11597.2 Ų97.271%0.70655%0.552SS**EExtended strand (participates in β ladder)trans-76.3123.3176.351.50000109.6I486T480-I486 HydrophobicContact CG2-CG1 4.45Å
481N60.4Low68Low110 Ų11098.8 Ų98.859%0.58854%0.541SS*.  trans-11513.5-169.5-125.389.4000113.4T479 S485T479-N481 PolarHBondContact O-N 3.24Å; N481-S485 PolarHBondContact N-O 2.98Å
482G67.3Low69.3Low52 Ų5292.1 Ų92.154%0.53652%0.523SS..SBendtrans155.1-177.1-177.300000110.2N484G482-N484 VanDerWaalsContact C-N 3.26Å; G482-N484 PolarHBondContact O-N 2.97Å
483T64.8Low71Confident142 Ų14291 Ų9187%0.87152%0.523SS*.THydrogen-bonded Turntrans-71.1-19.6178.252.80000113.8
484N73.4Confident73Confident94 Ų9485.3 Ų85.350%0.50351%0.512SS..THydrogen-bonded Turntrans-1226.7-168.4-6434.2000113.6G482 F502 A503G482-N484 VanDerWaalsContact C-N 3.26Å; G482-N484 PolarHBondContact O-N 2.97Å; N484-F502 WeakPolarHBondContact O-CA 3.44Å; N484-A503 PolarHBondContact O-N 2.79Å
485S79.4Confident74.2Confident24 Ų2483.9 Ų83.917%0.16850%0.499CS..EExtended strand (participates in β ladder)trans-151.2145.5178.260.30000115.2N481 L501N481-S485 PolarHBondContact N-O 2.98Å; S485-L501 CarbonylContact C-O 3.46Å; S485-L501 WeakPolarHBondContact CA-O 3.28Å; S485-L501 WeakPolarHBondContact CB-O 3.47Å
486I85.3Confident75.6Confident71 Ų7185 Ų8536%0.36450%0.5SS..EExtended strand (participates in β ladder)trans-123.8120.4178.2-61.1166.2000108L478 T480 V500 L501L478-I486 HydrophobicContact CB-CG2 4.45Å; L478-I486 HydrophobicContact CD2-CG2 4.4Å; T480-I486 HydrophobicContact CG2-CG1 4.45Å; I486-V500 WeakPolarHBondContact O-CA 3.47Å; I486-L501 PolarHBondContact N-O 3.3Å; I486-L501 PolarHBondContact O-N 3.09Å
487S82.4Confident76.7Confident34 Ų3486 Ų8624%0.23850%0.496CS..EExtended strand (participates in β ladder)trans-80126.6168.1-59.30000108.5L478 T479L478-S487 WeakPolarHBondContact CA-O 3.48Å; T479-S487 PolarHBondContact N-O 3.08Å; T479-S487 WeakPolarHBondContact O-CB 3.44Å; T479-S487 PolarHBondContact O-N 3.43Å
488M84.3Confident77.3Confident75 Ų7586.5 Ų86.537%0.36950%0.504SS..EExtended strand (participates in β ladder)trans-123.3134.6-179-176.4179.573.800109.4N477 T498 G499 L501N477-M488 WeakPolarHBondContact O-CA 3.24Å; M488-T498 WeakPolarHBondContact O-CA 3.46Å; M488-G499 PolarHBondContact N-O 2.96Å; M488-G499 PolarHBondContact O-N 2.86Å; M488-L501 HydrophobicContact CB-CD1 3.98Å; M488-L501 HydrophobicContact CE-CD1 4.04Å; M488-L501 HydrophobicContact SD-CD1 4.24Å
489S82.6Confident78.1Confident31 Ų3182.4 Ų82.422%0.21749%0.49CS..EExtended strand (participates in β ladder)trans-126.9137.3163.669.50000111.8N477 Y497N477-S489 PolarHBondContact N-O 2.89Å; N477-S489 PolarHBondContact O-N 3.23Å; S489-Y497 VanDerWaalsContact CA-O 3.28Å; S489-Y497 WeakPolarHBondContact CA-O 3.44Å
490V86.9Confident78.7Confident32 Ų3282 Ų8219%0.19449%0.487CS..EExtended strand (participates in β ladder)trans-130.6132.3178.160.30000109.3A475 L476 L492 Y497A475-V490 WeakPolarHBondContact O-CA 3.45Å; L476-V490 HydrophobicContact CD2-CB 4.13Å; L476-V490 HydrophobicContact CD2-CG2 3.79Å; V490-L492 HydrophobicContact CG2-CD2 4.13Å; V490-L492 HydrophobicContact CG2-CG 4.19Å; V490-Y497 PolarHBondContact N-O 2.94Å; V490-Y497 PolarHBondContact O-N 2.88Å
491E87.1Confident79.4Confident103 Ų10380.9 Ų80.948%0.48148%0.476SS..EExtended strand (participates in β ladder)trans-102120.9177.5-166.5177146.200110.4A475 G494 V495 V496A475-E491 PolarHBondContact O-N 2.87Å; E491-G494 WeakPolarHBondContact OE1-CA 3.17Å; E491-V495 WeakPolarHBondContact CA-O 3.37Å; E491-V496 HydrophobicContact CB-CG2 4.28Å; E491-V496 HydrophobicContact CG-CG2 3.93Å
492L76.6Confident80.4Confident94 Ų9483 Ų8349%0.49248%0.481SS..EExtended strand (participates in β ladder)trans-123.5118.5179.6-61.1174.3000108.7V490 G494 V495 Y497V490-L492 HydrophobicContact CG2-CD2 4.13Å; V490-L492 HydrophobicContact CG2-CG 4.19Å; L492-G494 VanDerWaalsContact C-N 3.26Å; L492-G494 PolarHBondContact O-N 2.91Å; L492-V495 PolarHBondContact N-O 2.93Å; L492-V495 WeakPolarHBondContact O-CB 3.46Å; L492-V495 PolarHBondContact O-N 2.85Å; L492-Y497 HydrophobicContact CB-CD2 4.27Å; L492-Y497 HydrophobicContact CB-CE2 4.02Å; L492-Y497 HydrophobicContact CD1-CD2 4.23Å; L492-Y497 HydrophobicContact CD1-CE2 4.3Å; L492-Y497 HydrophobicContact CG-CD2 4.39Å
493N74.5Confident80.9Confident175 Ų17583.7 Ų83.794%0.93648%0.482SS*.THydrogen-bonded Turntrans53.736.7178.9-53.8-39000114.3V495N493-V495 VanDerWaalsContact C-N 3.33Å
494G81.3Confident81.3Confident60 Ų6086 Ų8662%0.61948%0.482SS*.THydrogen-bonded Turntrans80.96.8-17700000115E491 L492E491-G494 WeakPolarHBondContact OE1-CA 3.17Å; L492-G494 VanDerWaalsContact C-N 3.26Å; L492-G494 PolarHBondContact O-N 2.91Å
495V72.8Confident80.7Confident75 Ų7585.5 Ų85.546%0.45549%0.491SS..EExtended strand (participates in β ladder)trans-110.7118.8176.4-176.90000109.2E491 L492 N493 Y497E491-V495 WeakPolarHBondContact CA-O 3.37Å; L492-V495 PolarHBondContact N-O 2.93Å; L492-V495 WeakPolarHBondContact O-CB 3.46Å; L492-V495 PolarHBondContact O-N 2.85Å; N493-V495 VanDerWaalsContact C-N 3.33Å; V495-Y497 HydrophobicContact CB-CE2 3.86Å; V495-Y497 HydrophobicContact CG1-CD2 4.27Å; V495-Y497 HydrophobicContact CG1-CE2 3.67Å; V495-Y497 VanDerWaalsContact O-CD2 3.31Å; V495-Y497 WeakPolarHBondContact O-CD2 3.49Å
496V86.9Confident79.5Confident81 Ų8189.4 Ų89.449%0.49153%0.525SS..EExtended strand (participates in β ladder)trans-84117177.3-1760000109.9E491 T498E491-V496 HydrophobicContact CB-CG2 4.28Å; E491-V496 HydrophobicContact CG-CG2 3.93Å; V496-T498 HydrophobicContact CG1-CG2 4.01Å
497Y80.3Confident77.7Confident133 Ų13391.2 Ų91.252%0.52255%0.55SS.*EExtended strand (participates in β ladder)trans-96.8129.2170.5-64.5-95.7000108.8S489 V490 L492 V495S489-Y497 VanDerWaalsContact CA-O 3.28Å; S489-Y497 WeakPolarHBondContact CA-O 3.44Å; V490-Y497 PolarHBondContact N-O 2.94Å; V490-Y497 PolarHBondContact O-N 2.88Å; L492-Y497 HydrophobicContact CB-CD2 4.27Å; L492-Y497 HydrophobicContact CB-CE2 4.02Å; L492-Y497 HydrophobicContact CD1-CD2 4.23Å; L492-Y497 HydrophobicContact CD1-CE2 4.3Å; L492-Y497 HydrophobicContact CG-CD2 4.39Å; V495-Y497 HydrophobicContact CB-CE2 3.86Å; V495-Y497 HydrophobicContact CG1-CD2 4.27Å; V495-Y497 HydrophobicContact CG1-CE2 3.67Å; V495-Y497 VanDerWaalsContact O-CD2 3.31Å; V495-Y497 WeakPolarHBondContact O-CD2 3.49Å
498T85.8Confident75.7Confident117 Ų11793.3 Ų93.372%0.71858%0.577SS**EExtended strand (participates in β ladder)trans-119.2145177.662.80000110.8M488 V496M488-T498 WeakPolarHBondContact O-CA 3.46Å; V496-T498 HydrophobicContact CG1-CG2 4.01Å
499G85.8Confident73.3Confident32 Ų3295.5 Ų95.533%0.3360%0.6SS.*EExtended strand (participates in β ladder)trans-155.6160.517800000111.7M488M488-G499 PolarHBondContact N-O 2.96Å; M488-G499 PolarHBondContact O-N 2.86Å
500V86.8Confident71.1Confident72 Ų7299 Ų9944%0.43663%0.631SS.*EExtended strand (participates in β ladder)trans-121.2115.1173.7-175.90000108I486 F502I486-V500 WeakPolarHBondContact O-CA 3.47Å; V500-F502 HydrophobicContact CB-CE2 3.88Å; V500-F502 HydrophobicContact CB-CZ 4.3Å; V500-F502 HydrophobicContact CG1-CD2 4.13Å; V500-F502 HydrophobicContact CG1-CE1 4.24Å; V500-F502 HydrophobicContact CG1-CE2 3.57Å; V500-F502 HydrophobicContact CG1-CZ 3.64Å
501L84.1Confident68.8Low91 Ų91103 Ų10348%0.47666%0.66SS.*EExtended strand (participates in β ladder)trans-82133.3172-71.974.8000107.8S485 I486 M488S485-L501 CarbonylContact C-O 3.46Å; S485-L501 WeakPolarHBondContact CA-O 3.28Å; S485-L501 WeakPolarHBondContact CB-O 3.47Å; I486-L501 PolarHBondContact N-O 3.3Å; I486-L501 PolarHBondContact O-N 3.09Å; M488-L501 HydrophobicContact CB-CD1 3.98Å; M488-L501 HydrophobicContact CE-CD1 4.04Å; M488-L501 HydrophobicContact SD-CD1 4.24Å
502F81.3Confident66.5Low155 Ų155104 Ų10468%0.6868%0.679SS**EExtended strand (participates in β ladder)trans-113.4133.5174.6-69.4-89.5000109.6N484 V500 Q504N484-F502 WeakPolarHBondContact O-CA 3.44Å; V500-F502 HydrophobicContact CB-CE2 3.88Å; V500-F502 HydrophobicContact CB-CZ 4.3Å; V500-F502 HydrophobicContact CG1-CD2 4.13Å; V500-F502 HydrophobicContact CG1-CE1 4.24Å; V500-F502 HydrophobicContact CG1-CE2 3.57Å; V500-F502 HydrophobicContact CG1-CZ 3.64Å; F502-Q504 PolarHBondContact O-N 3.39Å
503A77.1Confident64.4Low67 Ų67103.2 Ų103.255%0.55469%0.693SS**  trans-71.1115.2174.700000109.8N484 A505N484-A503 PolarHBondContact O-N 2.79Å; A503-A505 PolarHBondContact O-N 3.2Å
504Q73.1Confident62.5Low190 Ų190101.2 Ų101.289%0.88869%0.687SS**  trans-77.4106177.2-174.2171.22.500110.1F502 A506F502-Q504 PolarHBondContact O-N 3.39Å; Q504-A506 PolarHBondContact O-N 3.49Å
505A61.6Low60.1Low83 Ų83104.1 Ų104.169%0.68670%0.698SS**  trans-63.4125.4170.500000109.9A503 A507A503-A505 PolarHBondContact O-N 3.2Å; A505-A507 PolarHBondContact O-N 3.11Å
506A53Low58.3Low106 Ų106107.2 Ų107.288%0.87672%0.717SS**  trans-65.7115.7-179.100000110.9Q504Q504-A506 PolarHBondContact O-N 3.49Å
507A47.3Very low55.7Low109 Ų109109.3 Ų109.390%0.90174%0.735SS**  trans-95.9104.2-177.300000111.1A505A505-A507 PolarHBondContact O-N 3.11Å
508G40.5Very low53.3Low78 Ų78107.7 Ų107.780%0.80474%0.743SS**  trans134.98116000000117.3
509S34.1Very low50.7Low121 Ų121109.3 Ų109.385%0.84675%0.747SS**  trans-151.593.2135.7-165.90000109.2S511S509-S511 PolarHBondContact O-N 2.84Å
510A36.5Very low48.2Very low106 Ų106112.8 Ų112.888%0.87677%0.766SS**  trans-92.792-178.300000109.9
511S38.1Very low45.6Very low115 Ų115117.1 Ų117.180%0.80479%0.786SS**  trans-72135.4169.5530000110.7S509 G513S509-S511 PolarHBondContact O-N 2.84Å; S511-G513 PolarHBondContact O-N 3.36Å; S511-G513 VanDerWaalsContact O-N 3.09Å
512S39.2Very low43.2Very low124 Ų124122.1 Ų122.187%0.86780%0.804SS**  trans-78.293.9-170.656.50000113
513G32.9Very low41.5Very low77 Ų77120.5 Ų120.579%0.79481%0.809SS**  trans-100.6102.2169.100000111.9S511S511-G513 PolarHBondContact O-N 3.36Å; S511-G513 VanDerWaalsContact O-N 3.09Å
514V35Very low39.3Very low134 Ų134124.4 Ų124.481%0.81283%0.826SS**  trans-82.2121.6175.2177.60000110.1
515S31.1Very low37.3Very low120 Ų120120.6 Ų120.684%0.83982%0.821SS**  trans-154.7140.9160-80.70000109.2
516V34.4Very low35.9Very low141 Ų141122.3 Ų122.386%0.85583%0.828SS**  trans-113.4132.3-164.5-74.20000113.5
517S31.5Very low34.8Very low124 Ų124128.2 Ų128.287%0.86783%0.827SS**  trans-152.8142.4155.949.20000111.6
518S30Very low34.1Very low100 Ų100130.3 Ų130.370%0.69982%0.822SS**  trans-70.5164.4-175.747.50000112.7
519L32.4Very low33.8Very low151 Ų151132.6 Ų132.679%0.79182%0.82SS**  -162.2159.553.6-74.7159.4000113.1
520S32Very low34.4Very low104 Ų104131.8 Ų131.873%0.72781%0.812SS**  trans32.9142.2148.265.50000121.6
521N31.9Very low34.1Very low163 Ų163134.5 Ų134.587%0.87281%0.807SS**  cis-158.917725.7-144.5-7.4000113
522K34Very low33.9Very low196 Ų196135.5 Ų135.585%0.85280%0.798SS**  trans-88.7163.3-178.2-95.9-173.7175.6-178.90115
523P46.2Very low33.5Very low121 Ų121136.5 Ų136.579%0.78679%0.789SS**  trans-102.9173.4-161.340.6-38.2000116
524V30.7Very low33.4Very low149 Ų149140.3 Ų140.390%0.90379%0.787SS**  trans-146.5160.9156.692.40000111.5
525S31.2Very low33.2Very low111 Ų111141.2 Ų141.278%0.77678%0.782SS**  trans-96.6156-162.4-40.40000115.7
526S31.5Very low33.2Very low119 Ų119142.9 Ų142.983%0.83278%0.781SS**  -168.2142.4122.949.20000116.4
527R31.2Very low33Very low230 Ų230142.4 Ų142.487%0.86878%0.779SS**  trans-25.4151.3155.9-161.5174.7-101.5-169.8-7.2114.3
528I31.8Very low34Very low153 Ų153142 Ų14279%0.78577%0.773SS**  -163.7147.269.9-70.2149000113.5
529T33.9Very low34.1Very low126 Ų126143.4 Ų143.477%0.77378%0.778SS**  trans-135.9172.8157.854.30000107.1
530P46.8Very low34.1Very low103 Ų103141.7 Ų141.767%0.66978%0.778SS**  cis-149.5-171.721.242.3-19.8000118.2
531Q31.4Very low34.1Very low164 Ų164141.9 Ų141.977%0.76679%0.786SS**  trans66.2159.6143.9-89.2-175.6900120.8
532Q32.1Very low34.2Very low136 Ų136139.6 Ų139.664%0.63678%0.783SS**  cis-163.7157-19.3-148.7-17629.600110.8
533Q30.7Very low34.3Very low144 Ų144135.6 Ų135.667%0.67378%0.78SS**  trans62.9169.8156.2-86.2174.720.100117.6
534Q31Very low34Very low158 Ų158136.5 Ų136.574%0.73878%0.778SS**  cis-142.4-163.87.5-142.2166.467.100112.7
535Q32.1Very low35Very low153 Ų153135.4 Ų135.472%0.71577%0.774SS**  trans-91.1159-168.4-58.3144.7-54.100114.3
536N29.6Very low35.4Very low154 Ų154137.8 Ų137.882%0.82478%0.777SS**  167.5160.8114.8-84.2-29.7000115.2
537T31.8Very low35.9Very low131 Ų131141.1 Ų141.180%0.80480%0.801SS**  trans-131.5175.9167.658.60000108.3
538P52.8Low36.1Very low115 Ų115136.7 Ų136.775%0.74780%0.797SS**  cis-124.6-157.3-26.536.8-18.7000111.2
539T31.8Very low36.4Very low130 Ų130135.8 Ų135.880%0.79880%0.798SS**  trans126.4146.9145.9-47.60000115.7
540S32.4Very low36.5Very low115 Ų115136.4 Ų136.480%0.80480%0.799SS**  trans-88.3152.2-169.5-30.40000115
541A31.8Very low35.9Very low108 Ų108138.4 Ų138.489%0.89381%0.807SS**  trans-168.4156.9139.700000112.8
542S34.5Very low36.2Very low116 Ų116136.8 Ų136.881%0.81181%0.81SS**  trans-90.3147.3-179.4171.50000113.4
543S35.5Very low36.4Very low112 Ų112136.8 Ų136.878%0.78382%0.821SS**  trans-160.5136.3149.157.70000112.8
544N38.8Very low36.9Very low140 Ų140136.3 Ų136.375%0.74983%0.832SS**PPolyproline II helixtrans-72.3160.5168.8-70.5-10.1000112.1
545P51.6Low37.3Very low125 Ų125134.6 Ų134.681%0.81284%0.839SS**PPolyproline II helixtrans-100.1135.9138.734.1-26.8000111.1
546L40.3Very low37.7Very low162 Ų162133.1 Ų133.185%0.84885%0.849SS**PPolyproline II helixtrans-85.7143.1150.2-86.172.5000107.6
547S42.1Very low38.5Very low189 Ų189131.2 Ų131.2100%1.32285%0.852SS**  -160.70123.8-1670000111.4

Retrieved 547 of 547 residues in 83.5 ms (Link to these results)

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