A0A096NFF7_PAPAN Loading...

Polypeptide N-acetylgalactosaminyltransferase

May catalyze the initial reaction in O-linked oligosaccharide biosynthesis, the transfer of an N-acetyl-D-galactosamine residue to a serine or threonine residue on the protein receptor.

AlphaFold DB (Q6IS24), UniProt , Accession A0A096NFF7, Species PAPAN (Papio anubis, Olive baboon), Gene GALNT17, Length 598 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
1M51.9Low74Confident216 Ų216127.6 Ų127.6100%1.06465%0.645SS**  0-37.70-71.4-174.5-132.900114.8S3 L4 R5M1-S3 PolarHBondContact O-N 3.21Å; M1-L4 PolarHBondContact O-N 3.39Å; M1-R5 PolarHBondContact O-N 2.68Å
2A56.6Low75.2Confident75 Ų75123.8 Ų123.862%0.6263%0.632SS**Hα-helixtrans-62.9-33.4-177.700000115R5 R6A2-R5 PolarHBondContact O-N 3.36Å; A2-R6 PolarHBondContact O-N 3.04Å
3S72Confident76.2Confident87 Ų87122.1 Ų122.161%0.60863%0.625SS**Hα-helixtrans-63.5-43.9177.1-175.30000112.3M1 R5 R6 V7M1-S3 PolarHBondContact O-N 3.21Å; S3-R5 VanDerWaalsContact C-N 3.31Å; S3-R5 PolarHBondContact O-N 2.74Å; S3-R6 PolarHBondContact O-N 2.79Å; S3-V7 WeakPolarHBondContact O-CG2 3.28Å; S3-V7 PolarHBondContact O-N 2.98Å
4L71.8Confident76.9Confident121 Ų121120.8 Ų120.863%0.63462%0.62SS**Hα-helixtrans-62.9-34.4177.1-101.494.9000113M1 K8M1-L4 PolarHBondContact O-N 3.39Å; L4-K8 WeakPolarHBondContact O-CB 3.26Å; L4-K8 WeakPolarHBondContact O-CG 3.46Å; L4-K8 PolarHBondContact O-N 3.41Å
5R72.9Confident77.8Confident201 Ų201120.5 Ų120.576%0.75862%0.619SS**Hα-helixtrans-66.9-43.5176.1-81.6-173.4175.9-179.2-0.9111.7M1 A2 S3 K8 V9M1-R5 PolarHBondContact O-N 2.68Å; A2-R5 PolarHBondContact O-N 3.36Å; S3-R5 VanDerWaalsContact C-N 3.31Å; S3-R5 PolarHBondContact O-N 2.74Å; R5-K8 PolarHBondContact O-N 2.93Å; R5-V9 WeakPolarHBondContact O-CG2 3.37Å; R5-V9 PolarHBondContact O-N 2.93Å
6R73.4Confident78.5Confident199 Ų199119.6 Ų119.675%0.75161%0.614SS**Hα-helixtrans-63.6-42.8176.9-76.8-174.8175.9179.5-1.1112.1A2 S3 V9 L10A2-R6 PolarHBondContact O-N 3.04Å; S3-R6 PolarHBondContact O-N 2.79Å; R6-V9 PolarHBondContact O-N 3.46Å; R6-L10 PolarHBondContact O-N 3Å
7V79.2Confident78.9Confident76 Ų76116.2 Ų116.246%0.46161%0.608SS.*Hα-helixtrans-63.9-41.7177175.30000111S3 L10 L11S3-V7 WeakPolarHBondContact O-CG2 3.28Å; S3-V7 PolarHBondContact O-N 2.98Å; V7-L10 PolarHBondContact O-N 3.37Å; V7-L11 HydrophobicContact CG1-CD1 3.88Å; V7-L11 WeakPolarHBondContact O-CB 3.48Å; V7-L11 PolarHBondContact O-N 3.14Å
8K80.9Confident79.3Confident136 Ų136114.4 Ų114.459%0.59160%0.603SS**Hα-helixtrans-61.9-43.3174.4-78.8-175.8177.3-171.30112.7L4 R5 L11 V12L4-K8 WeakPolarHBondContact O-CB 3.26Å; L4-K8 WeakPolarHBondContact O-CG 3.46Å; L4-K8 PolarHBondContact O-N 3.41Å; R5-K8 PolarHBondContact O-N 2.93Å; K8-L11 PolarHBondContact O-N 3.47Å; K8-V12 WeakPolarHBondContact O-CG2 3.4Å; K8-V12 PolarHBondContact O-N 3.03Å
9V85.6Confident79.7Confident87 Ų87110.9 Ų110.953%0.52759%0.592SS.*Hα-helixtrans-64.5-43.4178.3172.40000111.3R5 R6 V12 L13R5-V9 WeakPolarHBondContact O-CG2 3.37Å; R5-V9 PolarHBondContact O-N 2.93Å; R6-V9 PolarHBondContact O-N 3.46Å; V9-V12 PolarHBondContact O-N 2.86Å; V9-L13 HydrophobicContact CG1-CD1 3.98Å; V9-L13 WeakPolarHBondContact O-CB 3.41Å; V9-L13 WeakPolarHBondContact O-CG 3.23Å; V9-L13 PolarHBondContact O-N 2.94Å
10L82.7Confident79.9Confident106 Ų106107.4 Ų107.456%0.55558%0.583SS**Hα-helixtrans-63.4-41.2175.7-84.6156.9000112.3R6 V7 L13 N14R6-L10 PolarHBondContact O-N 3Å; V7-L10 PolarHBondContact O-N 3.37Å; L10-L13 PolarHBondContact O-N 3.48Å; L10-N14 WeakPolarHBondContact O-CB 3.49Å; L10-N14 PolarHBondContact O-N 3.43Å
11L86.6Confident80Confident100 Ų100108.7 Ų108.752%0.52458%0.583SS.*Hα-helixtrans-62.3-43.4174.4-87.9158.8000111.8V7 K8 N14 L15V7-L11 HydrophobicContact CG1-CD1 3.88Å; V7-L11 WeakPolarHBondContact O-CB 3.48Å; V7-L11 PolarHBondContact O-N 3.14Å; K8-L11 PolarHBondContact O-N 3.47Å; L11-N14 PolarHBondContact O-N 3.36Å; L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 VanDerWaalsContact O-CG 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.5Å; L11-L15 PolarHBondContact O-N 3.21Å
12V89.4Confident81.3Confident82 Ų82102.4 Ų102.450%0.49756%0.557SS.*Hα-helixtrans-64.9-44.4177.3174.60000111.1K8 V9 N14 L15 I16K8-V12 WeakPolarHBondContact O-CG2 3.4Å; K8-V12 PolarHBondContact O-N 3.03Å; V9-V12 PolarHBondContact O-N 2.86Å; V12-N14 PolarHBondContact O-N 2.93Å; V12-L15 PolarHBondContact O-N 3.22Å; V12-I16 HydrophobicContact CG1-CD1 3.9Å; V12-I16 HydrophobicContact CG1-CG1 4.49Å; V12-I16 VanDerWaalsContact O-CG1 3.3Å; V12-I16 WeakPolarHBondContact O-CG1 3.41Å; V12-I16 PolarHBondContact O-N 2.91Å
13L88.2Confident82.3Confident101 Ų101104.2 Ų104.253%0.52956%0.556SS.*Hα-helixtrans-62.5-42.7176.9-77.2167.1000112V9 L10 I16 A17V9-L13 HydrophobicContact CG1-CD1 3.98Å; V9-L13 WeakPolarHBondContact O-CB 3.41Å; V9-L13 WeakPolarHBondContact O-CG 3.23Å; V9-L13 PolarHBondContact O-N 2.94Å; L10-L13 PolarHBondContact O-N 3.48Å; L13-I16 PolarHBondContact O-N 2.93Å; L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.38Å
14N86.1Confident82.6Confident104 Ų104106.3 Ų106.356%0.55655%0.554SS**Hα-helixtrans-64.5-40.7175-87.1-26.8000111.8L10 L11 V12 I16 A17 V18L10-N14 WeakPolarHBondContact O-CB 3.49Å; L10-N14 PolarHBondContact O-N 3.43Å; L11-N14 PolarHBondContact O-N 3.36Å; V12-N14 PolarHBondContact O-N 2.93Å; N14-I16 VanDerWaalsContact C-N 3.34Å; N14-I16 PolarHBondContact O-N 3.45Å; N14-A17 PolarHBondContact O-N 3.42Å; N14-V18 WeakPolarHBondContact O-CB 3.46Å; N14-V18 WeakPolarHBondContact O-CG2 3.49Å; N14-V18 PolarHBondContact O-N 2.81Å
15L89.4Confident82.3Confident116 Ų116104.9 Ų104.961%0.60755%0.547SS*.Hα-helixtrans-63.5-39.1175.3-76.7166.9000112L11 V12 A19L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 VanDerWaalsContact O-CG 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.5Å; L11-L15 PolarHBondContact O-N 3.21Å; V12-L15 PolarHBondContact O-N 3.22Å; L15-A19 WeakPolarHBondContact O-CB 3.43Å; L15-A19 PolarHBondContact O-N 2.91Å
16I89.3Confident82Confident107 Ų10798.3 Ų98.355%0.54954%0.535SS..Hα-helixtrans-66.3-43.6174.6-67.7166.9000110.7V12 L13 N14 A19 G20V12-I16 HydrophobicContact CG1-CD1 3.9Å; V12-I16 HydrophobicContact CG1-CG1 4.49Å; V12-I16 VanDerWaalsContact O-CG1 3.3Å; V12-I16 WeakPolarHBondContact O-CG1 3.41Å; V12-I16 PolarHBondContact O-N 2.91Å; L13-I16 PolarHBondContact O-N 2.93Å; N14-I16 VanDerWaalsContact C-N 3.34Å; N14-I16 PolarHBondContact O-N 3.45Å; I16-A19 PolarHBondContact O-N 2.69Å; I16-G20 PolarHBondContact O-N 3.28Å
17A84.9Confident81.4Confident61 Ų6197.9 Ų97.950%0.50454%0.539SS..Hα-helixtrans-63.5-43.8177.700000111.6L13 N14 G20 F21L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.38Å; N14-A17 PolarHBondContact O-N 3.42Å; A17-G20 PolarHBondContact O-N 3.25Å; A17-F21 WeakPolarHBondContact O-CB 3.47Å; A17-F21 PolarHBondContact O-N 3.33Å
18V87Confident79.5Confident85 Ų8597.2 Ų97.252%0.51554%0.537SS..Hα-helixtrans-65.5-43.6175.5172.20000110.7N14 G20 F21 V22N14-V18 WeakPolarHBondContact O-CB 3.46Å; N14-V18 WeakPolarHBondContact O-CG2 3.49Å; N14-V18 PolarHBondContact O-N 2.81Å; V18-G20 VanDerWaalsContact C-N 3.32Å; V18-G20 PolarHBondContact O-N 2.86Å; V18-F21 PolarHBondContact O-N 2.87Å; V18-V22 HydrophobicContact CG1-CG2 4.18Å; V18-V22 WeakPolarHBondContact O-CB 3.33Å; V18-V22 VanDerWaalsContact O-CG2 3.25Å; V18-V22 WeakPolarHBondContact O-CG2 3.2Å; V18-V22 PolarHBondContact O-N 3.43Å
19A86.8Confident77.2Confident48 Ų48100.8 Ų100.840%0.39755%0.547SS..Hα-helixtrans-62.5-39.9175.300000111.7L15 I16 V22 L23L15-A19 WeakPolarHBondContact O-CB 3.43Å; L15-A19 PolarHBondContact O-N 2.91Å; I16-A19 PolarHBondContact O-N 2.69Å; A19-V22 PolarHBondContact O-N 2.77Å; A19-L23 VanDerWaalsContact O-CB 3.25Å; A19-L23 WeakPolarHBondContact O-CB 3.18Å; A19-L23 VanDerWaalsContact O-CG 3.29Å; A19-L23 WeakPolarHBondContact O-CG 3.23Å; A19-L23 PolarHBondContact O-N 3.2Å
20G84.1Confident74.9Confident40 Ų40102.1 Ų102.141%0.41256%0.557SS.*Hα-helixtrans-62.9-41.4173.100000112.3I16 A17 V18 F24I16-G20 PolarHBondContact O-N 3.28Å; A17-G20 PolarHBondContact O-N 3.25Å; V18-G20 VanDerWaalsContact C-N 3.32Å; V18-G20 PolarHBondContact O-N 2.86Å; G20-F24 WeakPolarHBondContact O-CB 3.42Å; G20-F24 PolarHBondContact O-N 3.31Å
21F80.5Confident72.4Confident134 Ų134104.3 Ų104.359%0.58857%0.568SS**Hα-helixtrans-70-40.2177.2-154.4-97.4000112.1A17 V18 F24 L25A17-F21 WeakPolarHBondContact O-CB 3.47Å; A17-F21 PolarHBondContact O-N 3.33Å; V18-F21 PolarHBondContact O-N 2.87Å; F21-F24 PolarHBondContact O-N 3.49Å; F21-L25 HydrophobicContact CD1-CD1 3.57Å; F21-L25 HydrophobicContact CD1-CG 4.08Å; F21-L25 HydrophobicContact CE1-CD1 3.67Å; F21-L25 HydrophobicContact CE1-CG 4.12Å; F21-L25 WeakPolarHBondContact O-CB 3.21Å; F21-L25 VanDerWaalsContact O-CG 3.26Å; F21-L25 WeakPolarHBondContact O-CG 3.32Å; F21-L25 PolarHBondContact O-N 3.49Å
22V79.2Confident69.7Low85 Ų85103.7 Ų103.752%0.51558%0.577SS.*Hα-helixtrans-68.5-39.4175171.90000110.9V18 A19 L25 A26V18-V22 HydrophobicContact CG1-CG2 4.18Å; V18-V22 WeakPolarHBondContact O-CB 3.33Å; V18-V22 VanDerWaalsContact O-CG2 3.25Å; V18-V22 WeakPolarHBondContact O-CG2 3.2Å; V18-V22 PolarHBondContact O-N 3.43Å; A19-V22 PolarHBondContact O-N 2.77Å; V22-L25 CarbonylContact O-C 3.54Å; V22-L25 PolarHBondContact O-N 3.01Å; V22-A26 WeakPolarHBondContact O-CB 3.43Å; V22-A26 PolarHBondContact O-N 3.11Å
23L78.6Confident66.9Low113 Ų113106.1 Ų106.159%0.59259%0.592SS**Hα-helixtrans-66.7-38.2172.8-79.9165.2000111.7A19 A26 K27A19-L23 VanDerWaalsContact O-CB 3.25Å; A19-L23 WeakPolarHBondContact O-CB 3.18Å; A19-L23 VanDerWaalsContact O-CG 3.29Å; A19-L23 WeakPolarHBondContact O-CG 3.23Å; A19-L23 PolarHBondContact O-N 3.2Å; L23-A26 PolarHBondContact O-N 2.89Å; L23-K27 WeakPolarHBondContact O-CB 3.27Å; L23-K27 PolarHBondContact O-N 2.97Å
24F77.6Confident64Low130 Ų130111.9 Ų111.957%0.5761%0.607SS**Hα-helixtrans-62.6-47172.7-177.4-98.7000110.5G20 F21 K27 C28G20-F24 WeakPolarHBondContact O-CB 3.42Å; G20-F24 PolarHBondContact O-N 3.31Å; F21-F24 PolarHBondContact O-N 3.49Å; F24-K27 PolarHBondContact O-N 3.47Å; F24-C28 WeakPolarHBondContact O-CA 3.06Å; F24-C28 WeakPolarHBondContact O-CB 3.5Å; F24-C28 PolarHBondContact O-N 2.82Å; F24-C28 PolarHBondContact O-SG 2.87Å
25L65.4Low61.2Low92 Ų92112.7 Ų112.748%0.48262%0.62SS.*Hα-helixtrans-67.6-32.3174.9-73.2172.1000113.6F21 V22 C28 R29F21-L25 HydrophobicContact CD1-CD1 3.57Å; F21-L25 HydrophobicContact CD1-CG 4.08Å; F21-L25 HydrophobicContact CE1-CD1 3.67Å; F21-L25 HydrophobicContact CE1-CG 4.12Å; F21-L25 WeakPolarHBondContact O-CB 3.21Å; F21-L25 VanDerWaalsContact O-CG 3.26Å; F21-L25 WeakPolarHBondContact O-CG 3.32Å; F21-L25 PolarHBondContact O-N 3.49Å; V22-L25 CarbonylContact O-C 3.54Å; V22-L25 PolarHBondContact O-N 3.01Å; L25-C28 CarbonylContact O-C 3.47Å; L25-C28 PolarHBondContact O-N 3.43Å; L25-R29 PolarHBondContact O-N 2.9Å
26A66.4Low58.3Low63 Ų63109.9 Ų109.952%0.52162%0.62SS.*Hα-helixtrans-75.3-35.2177.500000111.5V22 L23 R29V22-A26 WeakPolarHBondContact O-CB 3.43Å; V22-A26 PolarHBondContact O-N 3.11Å; L23-A26 PolarHBondContact O-N 2.89Å; A26-R29 PolarHBondContact O-N 2.93Å
27K62.2Low55.5Low189 Ų189112.5 Ų112.582%0.82264%0.635SS**Hα-helixtrans-72.1-34.8167.8-78.1-169.2175.2-175.30111.7L23 F24 R29L23-K27 WeakPolarHBondContact O-CB 3.27Å; L23-K27 PolarHBondContact O-N 2.97Å; F24-K27 PolarHBondContact O-N 3.47Å; K27-R29 PolarHBondContact O-N 3.24Å; K27-R29 VanDerWaalsContact O-N 3.15Å
28C38Very low53Low63 Ų63113.8 Ų113.843%0.42665%0.645SS.*THydrogen-bonded Turntrans-84.950.4166.8-65.40000109.9F24 L25 P30F24-C28 WeakPolarHBondContact O-CA 3.06Å; F24-C28 WeakPolarHBondContact O-CB 3.5Å; F24-C28 PolarHBondContact O-N 2.82Å; F24-C28 PolarHBondContact O-SG 2.87Å; L25-C28 CarbonylContact O-C 3.47Å; L25-C28 PolarHBondContact O-N 3.43Å; C28-P30 VanDerWaalsContact O-CD 3.23Å; C28-P30 WeakPolarHBondContact O-CD 3.38Å
29R33.4Very low50.1Low211 Ų211120 Ų12080%0.79667%0.666SS**  trans-54.3118.5161.2-100.9-173.3179-167.40.5106L25 A26 K27 I31L25-R29 PolarHBondContact O-N 2.9Å; A26-R29 PolarHBondContact O-N 2.93Å; K27-R29 PolarHBondContact O-N 3.24Å; K27-R29 VanDerWaalsContact O-N 3.15Å; R29-I31 PolarHBondContact O-N 3.45Å
30P36.8Very low47.3Very low115 Ų115126.1 Ų126.175%0.74769%0.686SS**  trans-60.3120.2176.524.2-30.3000105.9C28 A32C28-P30 VanDerWaalsContact O-CD 3.23Å; C28-P30 WeakPolarHBondContact O-CD 3.38Å; P30-A32 VanDerWaalsContact C-N 3.34Å; P30-A32 PolarHBondContact O-N 2.99Å
31I31.2Very low44.6Very low151 Ų151132.3 Ų132.377%0.77470%0.704SS**  trans-53.4111.8162.7-66.6170.8000104.2R29 V33R29-I31 PolarHBondContact O-N 3.45Å; I31-V33 VanDerWaalsContact C-N 3.28Å; I31-V33 PolarHBondContact O-N 3.17Å
32A29.9Very low42Very low88 Ų88134.2 Ų134.273%0.72772%0.718SS**  trans-58.999.3172.600000106.3P30 R34P30-A32 VanDerWaalsContact C-N 3.34Å; P30-A32 PolarHBondContact O-N 2.99Å; A32-R34 PolarHBondContact O-N 3.23Å
33V29.7Very low39.4Very low133 Ų133141.2 Ų141.281%0.80674%0.735SS**  trans-67.796.1165.9178.90000104.5I31 S35I31-V33 VanDerWaalsContact C-N 3.28Å; I31-V33 PolarHBondContact O-N 3.17Å; V33-S35 PolarHBondContact O-N 3.09Å
34R28.2Very low37.2Very low221 Ų221141.4 Ų141.483%0.83474%0.744SS**  trans-53113.6163.6-92.2-179.2170176.5-3.2106.8A32 G36A32-R34 PolarHBondContact O-N 3.23Å; R34-G36 PolarHBondContact O-N 3.3Å
35S27.2Very low35Very low121 Ų121146.7 Ų146.785%0.84676%0.76SS**SBendtrans-52.5121.915152.40000108.3V33V33-S35 PolarHBondContact O-N 3.09Å
36G28.3Very low33.3Very low57 Ų57146.8 Ų146.859%0.58877%0.774SS**  trans115.282.4177.100000111.7R34R34-G36 PolarHBondContact O-N 3.3Å
37D29.4Very low31.5Very low163 Ų163152.1 Ų152.187%0.87279%0.788SS**  -153.9136.9104-87-29.5000108.4
38A32.3Very low30Very low87 Ų87149.6 Ų149.672%0.71979%0.788SS**  trans-47.5141.917600000109.7H40A38-H40 PolarHBondContact O-N 2.96Å
39F27.7Very low29.8Very low217 Ų217150.1 Ų150.195%0.95280%0.797SS**  trans-54.489.7166.7-79.8-94.4000108.5E41F39-E41 PolarHBondContact O-N 3.35Å
40H28.4Very low29.9Very low176 Ų176147.1 Ų147.182%0.81580%0.797SS**  trans-66118.7160.9-106.5-63.5000105.9A38A38-H40 PolarHBondContact O-N 2.96Å
41E26.8Very low29.6Very low170 Ų170149.5 Ų149.579%0.79480%0.802SS**  trans-16.9132163.6-69.5173.4139.300113.5F39 R43F39-E41 PolarHBondContact O-N 3.35Å; E41-R43 VanDerWaalsContact C-N 3.28Å; E41-R43 PolarHBondContact O-N 3.28Å
42I26.1Very low29.8Very low173 Ų173147 Ų14789%0.88780%0.798SS**  trans-52.591.9170.6-60.7165.9000108.2
43R25Very low30Very low232 Ų232147.8 Ų147.888%0.87581%0.805SS**  trans-74.5128.9159.9-98.2-175.5175.5-176.1-0.8107.5E41 R45E41-R43 VanDerWaalsContact C-N 3.28Å; E41-R43 PolarHBondContact O-N 3.28Å; R43-R45 PolarHBondContact O-N 3.19Å
44P31.2Very low30.5Very low118 Ų118149.5 Ų149.577%0.76680%0.804SS**  trans-69.7123.8-173.127.2-31.4000110.3A46P44-A46 PolarHBondContact O-N 3.41Å
45R30.6Very low31.3Very low241 Ų241144.4 Ų144.491%0.90980%0.802SS**  trans26.293.1148.2-139.3174.2-170.8170.91115.4R43 E47R43-R45 PolarHBondContact O-N 3.19Å; R45-E47 PolarHBondContact O-N 2.83Å
46A30.5Very low32.4Very low94 Ų94141.4 Ų141.478%0.77778%0.784SS**  trans-59.1108.7156.200000108.9P44 V48P44-A46 PolarHBondContact O-N 3.41Å; A46-V48 PolarHBondContact O-N 2.9Å
47E28.8Very low34.1Very low175 Ų175140.9 Ų140.982%0.81877%0.772SS**  trans3092.6133-62.7179.4162.500115.5R45 A49R45-E47 PolarHBondContact O-N 2.83Å; E47-A49 PolarHBondContact O-N 2.9Å
48V31.4Very low36.2Very low136 Ų136138.2 Ų138.282%0.82476%0.764SS**  trans-63.995.5139.8174.70000105.1A46A46-V48 PolarHBondContact O-N 2.9Å
49A34.1Very low38.3Very low74 Ų74140 Ų14061%0.61276%0.759SS**SBendtrans-52.5137.3166.400000108.7E47E47-A49 PolarHBondContact O-N 2.9Å
50N33.7Very low40.4Very low147 Ų147135.1 Ų135.179%0.78674%0.74SS**  trans83.778.8179.1-51.6-21.9000114.2
51L32.2Very low42.8Very low165 Ų165131 Ų13186%0.86472%0.724SS**SBend-173.1104.2125.7-91.6150.8000109
52S34Very low45.3Very low98 Ų98125.2 Ų125.269%0.68571%0.705SS**  trans50.5108.5164.460.80000118.7H54S52-H54 PolarHBondContact O-N 3.07Å
53A35.1Very low47.9Very low106 Ų106120.5 Ų120.588%0.87668%0.684SS**  trans-52.6100.1162.600000111.6
54H40.7Very low50.3Low168 Ų168114.5 Ų114.578%0.77867%0.669SS**  trans-113.492.4151.6-79.465.3000105.8S52 A56S52-H54 PolarHBondContact O-N 3.07Å; H54-A56 PolarHBondContact O-N 3.29Å
55S44.9Very low52.5Low115 Ų115116.3 Ų116.380%0.80467%0.665SS**PPolyproline II helixtrans-48.3121.8165.750.90000108.5S57S55-S57 PolarHBondContact O-N 3.46Å
56A50.4Low54.8Low57 Ų57113.7 Ų113.747%0.47166%0.655SS.*PPolyproline II helixtrans-51.1127169.500000108.2H54H54-A56 PolarHBondContact O-N 3.29Å
57S63.9Low57Low46 Ų46113.6 Ų113.632%0.32264%0.641SS.*PPolyproline II helixtrans-61.8142.5-177.9165.80000109.5S55 I59 Q60 D61S55-S57 PolarHBondContact O-N 3.46Å; S57-I59 PolarHBondContact O-N 3.47Å; S57-I59 WeakPolarHBondContact OG-CB 3.33Å; S57-I59 PolarHBondContact OG-N 3.26Å; S57-Q60 WeakPolarHBondContact O-CA 3.43Å; S57-Q60 VanDerWaalsContact O-CB 3.26Å; S57-Q60 WeakPolarHBondContact O-CB 3.3Å; S57-Q60 PolarHBondContact O-N 3.2Å; S57-D61 PolarHBondContact O-N 3.19Å
58P72.8Confident58.8Low108 Ų108108.2 Ų108.270%0.70162%0.622SS**Hα-helixtrans-50.8-27.9172.4-25.332.3000113.4A62P58-A62 WeakPolarHBondContact O-CB 3.48Å; P58-A62 PolarHBondContact O-N 2.8Å; P58-A62 VanDerWaalsContact O-N 3.14Å
59I75.9Confident60.6Low123 Ų123106.8 Ų106.863%0.63161%0.61SS**Hα-helixtrans-67-39.6176-59.2173.8000110.7S57 A62 V63S57-I59 PolarHBondContact O-N 3.47Å; S57-I59 WeakPolarHBondContact OG-CB 3.33Å; S57-I59 PolarHBondContact OG-N 3.26Å; I59-A62 PolarHBondContact O-N 3.12Å; I59-V63 HydrophobicContact CG2-CG2 4.42Å; I59-V63 WeakPolarHBondContact O-CB 3.26Å; I59-V63 VanDerWaalsContact O-CG2 3.23Å; I59-V63 WeakPolarHBondContact O-CG2 3.45Å; I59-V63 PolarHBondContact O-N 2.95Å
60Q73Confident62.4Low115 Ų115108.1 Ų108.154%0.53761%0.606SS.*Hα-helixtrans-67.8-42.5-177.4-145.41673.800111.1S57 V63 L64S57-Q60 WeakPolarHBondContact O-CA 3.43Å; S57-Q60 VanDerWaalsContact O-CB 3.26Å; S57-Q60 WeakPolarHBondContact O-CB 3.3Å; S57-Q60 PolarHBondContact O-N 3.2Å; Q60-V63 PolarHBondContact O-N 3.37Å; Q60-L64 WeakPolarHBondContact O-CG 3.26Å; Q60-L64 PolarHBondContact O-N 3.26Å
61D78.3Confident63.8Low89 Ų89107.8 Ų107.848%0.47660%0.6SS.*Hα-helixtrans-66-39.7174.1-75.5-15.1000112.5S57 V63 L64 K65S57-D61 PolarHBondContact O-N 3.19Å; D61-V63 VanDerWaalsContact C-N 3.35Å; D61-L64 PolarHBondContact O-N 2.95Å; D61-K65 PolarHBondContact O-N 3.49Å
62A79.4Confident65.1Low50 Ų50104.1 Ų104.141%0.41358%0.581SS.*Hα-helixtrans-64.6-39.517600000112P58 I59 R66P58-A62 WeakPolarHBondContact O-CB 3.48Å; P58-A62 PolarHBondContact O-N 2.8Å; P58-A62 VanDerWaalsContact O-N 3.14Å; I59-A62 PolarHBondContact O-N 3.12Å; A62-R66 WeakPolarHBondContact O-CB 3.34Å; A62-R66 WeakPolarHBondContact O-CG 3.48Å; A62-R66 PolarHBondContact O-N 3.17Å
63V79.4Confident66.5Low73 Ų73103.8 Ų103.844%0.44257%0.571SS.*Hα-helixtrans-65.8-45.9175169.80000110.7I59 Q60 D61 K65 R66 L67I59-V63 HydrophobicContact CG2-CG2 4.42Å; I59-V63 WeakPolarHBondContact O-CB 3.26Å; I59-V63 VanDerWaalsContact O-CG2 3.23Å; I59-V63 WeakPolarHBondContact O-CG2 3.45Å; I59-V63 PolarHBondContact O-N 2.95Å; Q60-V63 PolarHBondContact O-N 3.37Å; D61-V63 VanDerWaalsContact C-N 3.35Å; V63-K65 PolarHBondContact O-N 2.53Å; V63-R66 PolarHBondContact O-N 3.47Å; V63-L67 HydrophobicContact CG1-CD1 3.84Å; V63-L67 HydrophobicContact CG1-CG 4.33Å; V63-L67 WeakPolarHBondContact O-CB 3.5Å; V63-L67 WeakPolarHBondContact O-CG 3.15Å; V63-L67 PolarHBondContact O-N 3.1Å
64L77.1Confident67.9Low106 Ų106102 Ų10256%0.55555%0.548SS*.Hα-helixtrans-61.5-42.6177.4-74.5168.7000112.4Q60 D61 L67 S68Q60-L64 WeakPolarHBondContact O-CG 3.26Å; Q60-L64 PolarHBondContact O-N 3.26Å; D61-L64 PolarHBondContact O-N 2.95Å; L64-L67 PolarHBondContact O-N 2.88Å; L64-S68 WeakPolarHBondContact O-CB 3.43Å; L64-S68 PolarHBondContact O-N 2.95Å
65K77.4Confident68.7Low156 Ų15697.7 Ų97.768%0.67853%0.526SS*.Hα-helixtrans-61.6-42.7173.4-84-176.8176.9176.90112.4D61 V63 S68 L69D61-K65 PolarHBondContact O-N 3.49Å; V63-K65 PolarHBondContact O-N 2.53Å; K65-S68 PolarHBondContact O-N 3.11Å; K65-L69 PolarHBondContact O-N 3.16Å
66R77.6Confident69.5Low187 Ų187101.6 Ų101.671%0.70652%0.523SS*.Hα-helixtrans-65.3-40.4177.1-78.9-177.6179.5-149.81.2112A62 V63 L69 L70A62-R66 WeakPolarHBondContact O-CB 3.34Å; A62-R66 WeakPolarHBondContact O-CG 3.48Å; A62-R66 PolarHBondContact O-N 3.17Å; V63-R66 PolarHBondContact O-N 3.47Å; R66-L69 PolarHBondContact O-N 3.33Å; R66-L70 WeakPolarHBondContact O-CB 3.44Å; R66-L70 PolarHBondContact O-N 2.94Å
67L76Confident70.1Confident92 Ų92106.2 Ų106.248%0.48254%0.535SS..Hα-helixtrans-63.2-45.3175.8-73.9169.1000111.1V63 L64 L69 L70 E71V63-L67 HydrophobicContact CG1-CD1 3.84Å; V63-L67 HydrophobicContact CG1-CG 4.33Å; V63-L67 WeakPolarHBondContact O-CB 3.5Å; V63-L67 WeakPolarHBondContact O-CG 3.15Å; V63-L67 PolarHBondContact O-N 3.1Å; L64-L67 PolarHBondContact O-N 2.88Å; L67-L69 PolarHBondContact O-N 3.43Å; L67-L70 WeakPolarHBondContact O-CB 3.16Å; L67-L70 PolarHBondContact O-N 3.21Å; L67-E71 WeakPolarHBondContact O-CB 3.49Å; L67-E71 WeakPolarHBondContact O-CG 3.49Å; L67-E71 PolarHBondContact O-N 3.46Å
68S67.6Low70.2Confident61 Ų61105.4 Ų105.443%0.42753%0.527SS..Hα-helixtrans-59.5-42.9174.1156.40000112.7L64 K65 E71 D72L64-S68 WeakPolarHBondContact O-CB 3.43Å; L64-S68 PolarHBondContact O-N 2.95Å; K65-S68 PolarHBondContact O-N 3.11Å; S68-E71 PolarHBondContact O-N 2.57Å; S68-D72 PolarHBondContact O-N 3.26Å
69L69.3Low69.4Low107 Ų107102.9 Ų102.956%0.5651%0.507SS*.Hα-helixtrans-65.2-39.5175.6-104.9143.9000112.3K65 R66 L67 D72 I73K65-L69 PolarHBondContact O-N 3.16Å; R66-L69 PolarHBondContact O-N 3.33Å; L67-L69 PolarHBondContact O-N 3.43Å; L69-D72 PolarHBondContact O-N 2.74Å; L69-I73 WeakPolarHBondContact O-CB 3.43Å; L69-I73 WeakPolarHBondContact O-CD1 3.04Å; L69-I73 WeakPolarHBondContact O-CG1 3.43Å; L69-I73 PolarHBondContact O-N 3.19Å
70L71.3Confident68.8Low101 Ų10199.3 Ų99.353%0.52950%0.5SS..Hα-helixtrans-65.5-44.4174.7-100.7149.1000111.5R66 L67 D72 I73 V74R66-L70 WeakPolarHBondContact O-CB 3.44Å; R66-L70 PolarHBondContact O-N 2.94Å; L67-L70 WeakPolarHBondContact O-CB 3.16Å; L67-L70 PolarHBondContact O-N 3.21Å; L70-D72 VanDerWaalsContact C-N 3.33Å; L70-D72 PolarHBondContact O-N 3.35Å; L70-I73 PolarHBondContact O-N 2.64Å; L70-V74 VanDerWaalsContact O-CB 3.32Å; L70-V74 WeakPolarHBondContact O-CB 3.48Å; L70-V74 WeakPolarHBondContact O-CG2 3.41Å; L70-V74 PolarHBondContact O-N 3.47Å
71E63.4Low68.9Low141 Ų14195 Ų9566%0.65948%0.481SS*.Hα-helixtrans-57.3-46.3173.1-78.1178.616900110.7L67 S68 V74 Y75L67-E71 WeakPolarHBondContact O-CB 3.49Å; L67-E71 WeakPolarHBondContact O-CG 3.49Å; L67-E71 PolarHBondContact O-N 3.46Å; S68-E71 PolarHBondContact O-N 2.57Å; E71-V74 PolarHBondContact O-N 3.35Å; E71-Y75 WeakPolarHBondContact O-CA 3.24Å; E71-Y75 WeakPolarHBondContact O-CB 3.2Å; E71-Y75 PolarHBondContact O-N 3.16Å
72D59.1Low69Low87 Ų8790.8 Ų90.847%0.46546%0.459SS..Hα-helixtrans-63.3-42.1176.6-92.7-5000113.1S68 L69 L70 R76S68-D72 PolarHBondContact O-N 3.26Å; L69-D72 PolarHBondContact O-N 2.74Å; L70-D72 VanDerWaalsContact C-N 3.33Å; L70-D72 PolarHBondContact O-N 3.35Å; D72-R76 WeakPolarHBondContact O-CB 3.25Å; D72-R76 VanDerWaalsContact O-CG 3.28Å; D72-R76 WeakPolarHBondContact O-CG 3.45Å; D72-R76 PolarHBondContact O-N 2.67Å
73I63.5Low69Low92 Ų9296.4 Ų96.447%0.47247%0.474SS..Hα-helixtrans-66.2-47.4178.8-70.7164000110.5L69 L70 R76 Q77L69-I73 WeakPolarHBondContact O-CB 3.43Å; L69-I73 WeakPolarHBondContact O-CD1 3.04Å; L69-I73 WeakPolarHBondContact O-CG1 3.43Å; L69-I73 PolarHBondContact O-N 3.19Å; L70-I73 PolarHBondContact O-N 2.64Å; I73-R76 PolarHBondContact O-N 2.86Å; I73-Q77 PolarHBondContact O-N 3.48Å
74V65Low69.1Low67 Ų6797.5 Ų97.541%0.40649%0.485SS..Hα-helixtrans-63.1-45.2177.41710000109.8L70 E71 R76 Q77 L78L70-V74 VanDerWaalsContact O-CB 3.32Å; L70-V74 WeakPolarHBondContact O-CB 3.48Å; L70-V74 WeakPolarHBondContact O-CG2 3.41Å; L70-V74 PolarHBondContact O-N 3.47Å; E71-V74 PolarHBondContact O-N 3.35Å; V74-R76 PolarHBondContact O-N 3.44Å; V74-Q77 PolarHBondContact O-N 3.34Å; V74-L78 HydrophobicContact CG1-CD1 3.61Å; V74-L78 HydrophobicContact CG1-CG 4.36Å; V74-L78 WeakPolarHBondContact O-CB 3.13Å; V74-L78 VanDerWaalsContact O-CG 3.26Å; V74-L78 WeakPolarHBondContact O-CG 3.46Å; V74-L78 PolarHBondContact O-N 3Å
75Y58.6Low69.5Low79 Ų7994.7 Ų94.731%0.3147%0.47SS..Hα-helixtrans-59.3-45176.4-170.2-101.7000110.9E71 Q77 L78 N79 E89 G90E71-Y75 WeakPolarHBondContact O-CA 3.24Å; E71-Y75 WeakPolarHBondContact O-CB 3.2Å; E71-Y75 PolarHBondContact O-N 3.16Å; Y75-Q77 PolarHBondContact O-N 3.45Å; Y75-L78 PolarHBondContact O-N 3.24Å; Y75-N79 WeakPolarHBondContact CE1-ND2 3.46Å; Y75-N79 VanDerWaalsContact O-CB 3.3Å; Y75-N79 WeakPolarHBondContact O-CB 3.23Å; Y75-N79 PolarHBondContact O-N 2.78Å; Y75-E89 VanDerWaalsContact OH-C 3.3Å; Y75-E89 PolarHBondContact OH-O 3.41Å; Y75-G90 VanDerWaalsContact OH-CA 3.23Å; Y75-G90 WeakPolarHBondContact OH-CA 3.46Å; Y75-G90 PolarHBondContact OH-N 2.9Å
76R60.4Low69.9Low197 Ų19789.1 Ų89.174%0.74346%0.456SS*.Hα-helixtrans-62.8-38.7175.9-78.2178.7-174.9-170.73.6113.8D72 I73 V74 L78D72-R76 WeakPolarHBondContact O-CB 3.25Å; D72-R76 VanDerWaalsContact O-CG 3.28Å; D72-R76 WeakPolarHBondContact O-CG 3.45Å; D72-R76 PolarHBondContact O-N 2.67Å; I73-R76 PolarHBondContact O-N 2.86Å; V74-R76 PolarHBondContact O-N 3.44Å; R76-L78 VanDerWaalsContact C-N 3.33Å
77Q64.1Low70.5Confident154 Ų15480.7 Ų80.772%0.7243%0.426SS*.Hα-helixtrans-67.6-35.2176.1-77.8-171.8-23.500112.1I73 V74 Y75I73-Q77 PolarHBondContact O-N 3.48Å; V74-Q77 PolarHBondContact O-N 3.34Å; Y75-Q77 PolarHBondContact O-N 3.45Å
78L64.5Low71.2Confident29 Ų2980 Ų8015%0.15242%0.421CS..Hα-helixtrans-83.2-34.6-178.1-66.1173000113.3V74 Y75 R76 G80 L81V74-L78 HydrophobicContact CG1-CD1 3.61Å; V74-L78 HydrophobicContact CG1-CG 4.36Å; V74-L78 WeakPolarHBondContact O-CB 3.13Å; V74-L78 VanDerWaalsContact O-CG 3.26Å; V74-L78 WeakPolarHBondContact O-CG 3.46Å; V74-L78 PolarHBondContact O-N 3Å; Y75-L78 PolarHBondContact O-N 3.24Å; R76-L78 VanDerWaalsContact C-N 3.33Å; L78-G80 PolarHBondContact O-N 3.05Å; L78-L81 HydrophobicContact CD2-CD1 3.97Å; L78-L81 WeakPolarHBondContact O-CB 3.45Å; L78-L81 PolarHBondContact O-N 3.01Å
79N56.9Low72.1Confident55 Ų5577.7 Ų77.729%0.29440%0.404SS..Hα-helixtrans-59.5-18.4-176.5-132.7-2.5000113.8Y75 L81 K83Y75-N79 WeakPolarHBondContact CE1-ND2 3.46Å; Y75-N79 VanDerWaalsContact O-CB 3.3Å; Y75-N79 WeakPolarHBondContact O-CB 3.23Å; Y75-N79 PolarHBondContact O-N 2.78Å; N79-L81 VanDerWaalsContact C-N 3.26Å; N79-L81 PolarHBondContact O-N 2.98Å; N79-K83 WeakPolarHBondContact O-CB 3.46Å
80G63.3Low72.8Confident47 Ų4773 Ų7349%0.48538%0.382SS..Hα-helixtrans-65.8-28.8173.800000113.4L78 S84L78-G80 PolarHBondContact O-N 3.05Å; G80-S84 PolarHBondContact O-N 2.86Å
81L75.3Confident73.1Confident24 Ų2476.5 Ų76.513%0.12639%0.389CS..Hα-helixtrans-69.1-57.6-174.1-67.9159.2000111.3L78 N79 K83 S84 Y206 K209 R210L78-L81 HydrophobicContact CD2-CD1 3.97Å; L78-L81 WeakPolarHBondContact O-CB 3.45Å; L78-L81 PolarHBondContact O-N 3.01Å; N79-L81 VanDerWaalsContact C-N 3.26Å; N79-L81 PolarHBondContact O-N 2.98Å; L81-K83 VanDerWaalsContact C-N 3.32Å; L81-K83 PolarHBondContact O-N 3.08Å; L81-S84 PolarHBondContact O-N 2.88Å; L81-S84 PolarHBondContact O-OG 2.95Å; L81-Y206 HydrophobicContact CB-CD2 3.85Å; L81-Y206 HydrophobicContact CB-CE2 3.91Å; L81-K209 HydrophobicContact CD1-CB 3.71Å; L81-K209 HydrophobicContact CD2-CB 3.77Å; L81-K209 HydrophobicContact CD2-CD 3.38Å; L81-K209 HydrophobicContact CD2-CG 4.2Å; L81-K209 HydrophobicContact CG-CB 4.41Å; L81-R210 HydrophobicContact CD1-CB 4.39Å
82S80Confident74.2Confident1 Ų171.3 Ų71.31%0.00737%0.374CS..Hα-helixtrans-62.7-39.9179.546.20000112.1S84 L85 G86 L87 E89S82-S84 VanDerWaalsContact C-N 3.31Å; S82-S84 PolarHBondContact O-N 3.42Å; S82-L85 CarbonylContact O-C 3.51Å; S82-L85 WeakPolarHBondContact O-CA 3.46Å; S82-L85 WeakPolarHBondContact O-CB 3.31Å; S82-L85 PolarHBondContact O-N 3.14Å; S82-G86 PolarHBondContact O-N 3.48Å; S82-L87 CarbonylContact C-O 3.52Å; S82-L87 PolarHBondContact O-N 2.84Å; S82-E89 WeakPolarHBondContact CB-OE1 3.16Å; S82-E89 WeakPolarHBondContact OG-CG 3.42Å; S82-E89 PolarHBondContact OG-OE1 3.47Å
83K79.7Confident75.7Confident168 Ų16870.1 Ų70.173%0.7338%0.382SS*.Hα-helixtrans-60.7-38.2178.6-169.2177.2-178.8-178.40112.7N79 L81 L85 G86N79-K83 WeakPolarHBondContact O-CB 3.46Å; L81-K83 VanDerWaalsContact C-N 3.32Å; L81-K83 PolarHBondContact O-N 3.08Å; K83-L85 PolarHBondContact O-N 2.98Å; K83-G86 PolarHBondContact O-N 3.07Å; K83-G86 VanDerWaalsContact O-N 3.09Å
84S82.3Confident77.2Confident96 Ų9669.9 Ų69.967%0.67138%0.375SS*.Hα-helixtrans-64.8-22174.568.90000113.7G80 L81 S82G80-S84 PolarHBondContact O-N 2.86Å; L81-S84 PolarHBondContact O-N 2.88Å; L81-S84 PolarHBondContact O-OG 2.95Å; S82-S84 VanDerWaalsContact C-N 3.31Å; S82-S84 PolarHBondContact O-N 3.42Å
85L85.4Confident78.6Confident48 Ų4867 Ų6725%0.25136%0.359SS..THydrogen-bonded Turntrans-96.65175.8-58.7171000112.6S82 K83 L87 L165 L169 P202 Y206S82-L85 CarbonylContact O-C 3.51Å; S82-L85 WeakPolarHBondContact O-CA 3.46Å; S82-L85 WeakPolarHBondContact O-CB 3.31Å; S82-L85 PolarHBondContact O-N 3.14Å; K83-L85 PolarHBondContact O-N 2.98Å; L85-L87 VanDerWaalsContact C-N 3.27Å; L85-L87 HydrophobicContact CB-CD1 4.13Å; L85-L87 HydrophobicContact CB-CG 4.07Å; L85-L87 PolarHBondContact O-N 2.78Å; L85-L165 HydrophobicContact CD1-CD2 4.16Å; L85-L165 HydrophobicContact CD2-CD2 4.23Å; L85-L169 HydrophobicContact CD1-CD1 4.42Å; L85-P202 HydrophobicContact CD2-CB 3.86Å; L85-Y206 HydrophobicContact CD1-CD2 3.45Å; L85-Y206 VanDerWaalsContact CD1-CD2 3.45Å; L85-Y206 HydrophobicContact CD1-CE2 4.23Å; L85-Y206 HydrophobicContact CD1-CG 3.99Å
86G85.2Confident80.3Confident38 Ų3868.9 Ų68.939%0.39237%0.368SS..THydrogen-bonded Turntrans72.916-177.200000114.8S82 K83S82-G86 PolarHBondContact O-N 3.48Å; K83-G86 PolarHBondContact O-N 3.07Å; K83-G86 VanDerWaalsContact O-N 3.09Å
87L90.8Very high81.9Confident11 Ų1160.7 Ų60.76%0.05835%0.346CS..  trans-99.6160.4-178-55.6178.7000111.8S82 L85 E126 L130 L169S82-L87 CarbonylContact C-O 3.52Å; S82-L87 PolarHBondContact O-N 2.84Å; L85-L87 VanDerWaalsContact C-N 3.27Å; L85-L87 HydrophobicContact CB-CD1 4.13Å; L85-L87 HydrophobicContact CB-CG 4.07Å; L85-L87 PolarHBondContact O-N 2.78Å; L87-E126 HydrophobicContact CD2-CB 4.08Å; L87-E126 HydrophobicContact CD2-CG 3.89Å; L87-L130 HydrophobicContact CB-CD1 4.33Å; L87-L130 HydrophobicContact CD1-CD1 4.17Å; L87-L169 HydrophobicContact CD1-CD1 3.54Å
88I89Confident83.4Confident76 Ų7653.5 Ų53.539%0.3931%0.313SS..  trans-116.1132.2-177.6-56.1174.8000108.8S129 L130I88-S129 CarbonylContact O-C 3.53Å; I88-S129 VanDerWaalsContact O-CA 3.26Å; I88-S129 WeakPolarHBondContact O-CA 3.45Å; I88-S129 PolarHBondContact O-OG 3.39Å; I88-L130 PolarHBondContact O-N 3.45Å
89E86.6Confident85Confident14 Ų1457.5 Ų57.57%0.06533%0.334CS..  trans-111.1165.1171.2-77.9179.5-117.400111.2Y75 S82 L130 H173 Y206 R210Y75-E89 VanDerWaalsContact OH-C 3.3Å; Y75-E89 PolarHBondContact OH-O 3.41Å; S82-E89 WeakPolarHBondContact CB-OE1 3.16Å; S82-E89 WeakPolarHBondContact OG-CG 3.42Å; S82-E89 PolarHBondContact OG-OE1 3.47Å; E89-L130 HydrophobicContact CG-CD1 4.34Å; E89-H173 IonicContact OE2-CE1 3.86Å; E89-Y206 PolarHBondContact OE1-OH 3.03Å; E89-R210 IonicContact OE2-NE 3.2Å; E89-R210 PolarHBondContact OE2-NE 2.68Å; E89-R210 IonicContact OE2-NH2 3.49Å
90G84.7Confident86.9Confident9 Ų958 Ų589%0.09334%0.34CS..SBendtrans101.9159.8176.100000116.1Y75 G92 S129 D131Y75-G90 VanDerWaalsContact OH-CA 3.23Å; Y75-G90 WeakPolarHBondContact OH-CA 3.46Å; Y75-G90 PolarHBondContact OH-N 2.9Å; G90-G92 PolarHBondContact O-N 3.22Å; G90-S129 PolarHBondContact N-OG 3.15Å; G90-S129 VanDerWaalsContact N-OG 3.16Å; G90-S129 WeakPolarHBondContact O-CB 3.45Å; G90-S129 PolarHBondContact O-OG 3.45Å; G90-D131 PolarHBondContact N-OD2 2.79Å
91Y78.8Confident88.4Confident173 Ų17356 Ų5668%0.67832%0.319SS*.SBendtrans-73.49.6-168.4-58.9-71000116.7D131Y91-D131 HydrophobicContact CD1-CB 4.47Å
92G86Confident89.3Confident33 Ų3360.1 Ų60.134%0.3435%0.345SS..  trans-118.4-170.9-171.300000114.5G90G90-G92 PolarHBondContact O-N 3.22Å
93G90.6Very high90Very high62 Ų6260.9 Ų60.964%0.63935%0.349SS*.SBendtrans88.5-161.4171.300000115K96G93-K96 WeakPolarHBondContact O-CB 3.47Å
94R94.2Very high90.7Very high87 Ų8755.2 Ų55.233%0.32833%0.331SS..BIsolated β-bridgetrans-59.4141.4-179-65.3178.8176166.7-3.9110.2K96 A101 T102 E107 K127 I128R94-K96 PolarHBondContact O-N 3.28Å; R94-A101 HydrophobicContact CB-CB 4.02Å; R94-T102 PolarHBondContact NE-O 3.31Å; R94-E107 IonicContact CZ-OE1 3.67Å; R94-E107 IonicContact CZ-OE2 2.76Å; R94-E107 IonicContact NH1-OE1 3.55Å; R94-E107 PolarHBondContact NH1-OE1 2.94Å; R94-E107 IonicContact NH1-OE2 3.96Å; R94-E107 IonicContact NH2-OE1 2.91Å; R94-E107 PolarHBondContact NH2-OE1 3.42Å; R94-E107 IonicContact NH2-OE2 2.92Å; R94-E107 PolarHBondContact NH2-OE2 3.17Å; R94-K127 VanDerWaalsContact NH1-CB 3.25Å; R94-I128 HydrophobicContact CB-CG1 4.15Å
95G94.3Very high91.2Very high6 Ų655.8 Ų55.86%0.06233%0.332CS..THydrogen-bonded Turntrans70.511.5175.300000116G98 L99 R132G95-G98 PolarHBondContact O-N 2.85Å; G95-G98 VanDerWaalsContact O-N 3.14Å; G95-L99 VanDerWaalsContact CA-O 3.31Å; G95-L99 WeakPolarHBondContact CA-O 3.3Å; G95-R132 WeakPolarHBondContact O-CD 3.37Å
96K94.5Very high91.7Very high118 Ų11856.8 Ų56.851%0.51335%0.347SS..G310 helixtrans-55.4136.8174.7-178.4-176.8-179.3-179.10110.9G93 R94 G98 L99G93-K96 WeakPolarHBondContact O-CB 3.47Å; R94-K96 PolarHBondContact O-N 3.28Å; K96-G98 VanDerWaalsContact C-N 3.25Å; K96-G98 PolarHBondContact O-N 2.94Å; K96-L99 WeakPolarHBondContact O-CG 3.41Å
97G94.7Very high92.1Very high26 Ų2656.4 Ų56.427%0.26834%0.335SS..G310 helixtrans70.720-177.500000113.5L99 S133 P135G97-L99 PolarHBondContact O-N 2.83Å; G97-S133 CarbonylContact C-O 3.42Å; G97-S133 WeakPolarHBondContact CA-O 3.39Å; G97-S133 WeakPolarHBondContact CA-OG 3.43Å; G97-S133 PolarHBondContact N-O 3.3Å; G97-S133 PolarHBondContact N-OG 2.97Å; G97-S133 VanDerWaalsContact N-OG 3.08Å; G97-P135 VanDerWaalsContact O-CD 3.3Å; G97-P135 WeakPolarHBondContact O-CD 3.38Å; G97-P135 WeakPolarHBondContact O-CG 3.5Å
98G95.4Very high92.3Very high3 Ų361.1 Ų61.13%0.03136%0.357CS..G310 helixtrans65.517.8-175.400000114.5G95 K96 S133 E284 V285G95-G98 PolarHBondContact O-N 2.85Å; G95-G98 VanDerWaalsContact O-N 3.14Å; K96-G98 VanDerWaalsContact C-N 3.25Å; K96-G98 PolarHBondContact O-N 2.94Å; G98-S133 PolarHBondContact N-O 2.89Å; G98-E284 WeakPolarHBondContact O-CA 3.41Å; G98-V285 PolarHBondContact O-N 2.95Å
99L96.8Very high92.4Very high113 Ų11363.2 Ų63.259%0.59237%0.365SS*.PPolyproline II helixtrans-68.9156.7174.3-67.5177000111G95 K96 G97 A101G95-L99 VanDerWaalsContact CA-O 3.31Å; G95-L99 WeakPolarHBondContact CA-O 3.3Å; K96-L99 WeakPolarHBondContact O-CG 3.41Å; G97-L99 PolarHBondContact O-N 2.83Å; L99-A101 PolarHBondContact O-N 2.97Å
100P96.8Very high92.7Very high65 Ų6568.9 Ų68.942%0.42239%0.39SS..PPolyproline II helixtrans-60.3135.4174.126.5-35000110.6N282 E284P100-N282 HydrophobicContact CB-CB 4.27Å; P100-N282 WeakPolarHBondContact CB-ND2 3.27Å; P100-E284 HydrophobicContact CB-CB 4.11Å
101A95.9Very high93.2Very high5 Ų568.7 Ų68.74%0.04139%0.387CS..PPolyproline II helixtrans-103.1145.3174.600000110.6R94 L99 L124 I128 N282R94-A101 HydrophobicContact CB-CB 4.02Å; L99-A101 PolarHBondContact O-N 2.97Å; A101-L124 HydrophobicContact CB-CD1 3.81Å; A101-L124 HydrophobicContact CB-CD2 4.12Å; A101-L124 HydrophobicContact CB-CG 4.26Å; A101-I128 HydrophobicContact CB-CD1 3.71Å; A101-I128 HydrophobicContact CB-CG1 3.93Å; A101-N282 PolarHBondContact N-O 3.16Å
102T94.7Very high93.7Very high111 Ų11166.5 Ų66.568%0.68138%0.381SS*.  trans-120152.4-179.355.80000111.3R94R94-T102 PolarHBondContact NE-O 3.31Å
103L94.6Very high93.9Very high17 Ų1767.3 Ų67.39%0.08939%0.389CS..  trans-104.7154.8172.6-68.4-179.1000109.4E107 E108 A111 Y123 L124 K127L103-E107 HydrophobicContact CB-CB 3.8Å; L103-E107 HydrophobicContact CD1-CB 4.32Å; L103-E107 HydrophobicContact CD2-CB 4.04Å; L103-E107 HydrophobicContact CG-CB 4.26Å; L103-E108 HydrophobicContact CB-CG 3.75Å; L103-A111 HydrophobicContact CD1-CB 3.53Å; L103-Y123 HydrophobicContact CD1-CD1 3.87Å; L103-Y123 HydrophobicContact CD1-CE1 4.45Å; L103-Y123 HydrophobicContact CD2-CD1 4.13Å; L103-Y123 HydrophobicContact CD2-CE1 4.23Å; L103-L124 HydrophobicContact CD1-CB 4.21Å; L103-L124 HydrophobicContact CD2-CB 4.23Å; L103-L124 HydrophobicContact CD2-CD1 3.52Å; L103-L124 HydrophobicContact CD2-CG 4.46Å; L103-L124 HydrophobicContact CG-CB 4.28Å; L103-L124 HydrophobicContact CG-CD1 3.87Å; L103-K127 HydrophobicContact CD2-CG 4.37Å
104S94.2Very high93.8Very high49 Ų4966 Ų6634%0.34337%0.37SS..  trans-70.1158164.262.40000110.6A106 E107 E108S104-A106 PolarHBondContact O-N 3.09Å; S104-A106 VanDerWaalsContact O-N 3.11Å; S104-E107 WeakPolarHBondContact CB-OE2 3.47Å; S104-E107 PolarHBondContact N-OE2 3.06Å; S104-E107 CarbonylContact O-C 3.59Å; S104-E107 WeakPolarHBondContact O-CA 3.24Å; S104-E107 WeakPolarHBondContact O-CB 3.45Å; S104-E107 PolarHBondContact O-N 3.36Å; S104-E107 VanDerWaalsContact OG-CG 3.27Å; S104-E107 WeakPolarHBondContact OG-CG 3.31Å; S104-E107 PolarHBondContact OG-OE2 3.32Å; S104-E108 PolarHBondContact O-N 3.36Å
105P93.2Very high93.6Very high108 Ų10863.7 Ų63.770%0.70136%0.362SS*.Hα-helixtrans-54.7-34.6180-28.835.8000114.4E108 E109P105-E108 PolarHBondContact O-N 3.06Å; P105-E109 PolarHBondContact O-N 3.02Å
106A93.9Very high93.4Very high69 Ų6968.1 Ų68.157%0.5738%0.382SS*.Hα-helixtrans-72.5-29.9176.400000113.2S104S104-A106 PolarHBondContact O-N 3.09Å; S104-A106 VanDerWaalsContact O-N 3.11Å
107E95.3Very high93.2Very high29 Ų2967.5 Ų67.514%0.13638%0.379CS..Hα-helixtrans-76.2-36173.4-74.8171.5118.500111.5R94 L103 S104 E109 K110 A111 Y123R94-E107 IonicContact CZ-OE1 3.67Å; R94-E107 IonicContact CZ-OE2 2.76Å; R94-E107 IonicContact NH1-OE1 3.55Å; R94-E107 PolarHBondContact NH1-OE1 2.94Å; R94-E107 IonicContact NH1-OE2 3.96Å; R94-E107 IonicContact NH2-OE1 2.91Å; R94-E107 PolarHBondContact NH2-OE1 3.42Å; R94-E107 IonicContact NH2-OE2 2.92Å; R94-E107 PolarHBondContact NH2-OE2 3.17Å; L103-E107 HydrophobicContact CB-CB 3.8Å; L103-E107 HydrophobicContact CD1-CB 4.32Å; L103-E107 HydrophobicContact CD2-CB 4.04Å; L103-E107 HydrophobicContact CG-CB 4.26Å; S104-E107 WeakPolarHBondContact CB-OE2 3.47Å; S104-E107 PolarHBondContact N-OE2 3.06Å; S104-E107 CarbonylContact O-C 3.59Å; S104-E107 WeakPolarHBondContact O-CA 3.24Å; S104-E107 WeakPolarHBondContact O-CB 3.45Å; S104-E107 PolarHBondContact O-N 3.36Å; S104-E107 VanDerWaalsContact OG-CG 3.27Å; S104-E107 WeakPolarHBondContact OG-CG 3.31Å; S104-E107 PolarHBondContact OG-OE2 3.32Å; E107-E109 VanDerWaalsContact C-N 3.25Å; E107-E109 PolarHBondContact O-N 2.73Å; E107-K110 WeakPolarHBondContact O-CB 3.49Å; E107-K110 PolarHBondContact O-N 3.15Å; E107-K110 VanDerWaalsContact O-N 3.11Å; E107-A111 WeakPolarHBondContact O-CB 3.25Å; E107-A111 PolarHBondContact O-N 3.11Å; E107-Y123 HydrophobicContact CB-CE1 3.78Å; E107-Y123 HydrophobicContact CG-CE1 3.93Å
108E93.5Very high93.1Very high110 Ų11067 Ų6751%0.51437%0.369SS..Hα-helixtrans-57.5-39.6176.1-72.2-176.2169.100111.8L103 S104 P105 K110 A111 K112L103-E108 HydrophobicContact CB-CG 3.75Å; S104-E108 PolarHBondContact O-N 3.36Å; P105-E108 PolarHBondContact O-N 3.06Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 3.4Å; E108-A111 PolarHBondContact O-N 3.4Å; E108-A111 VanDerWaalsContact O-N 3.16Å; E108-K112 PolarHBondContact O-N 3.35Å
109E92.8Very high93Very high121 Ų12166.9 Ų66.957%0.56537%0.368SS*.Hα-helixtrans-64.6-38.6177.1-162.461.2-168.400112.4P105 E107 A111 K112P105-E109 PolarHBondContact O-N 3.02Å; E107-E109 VanDerWaalsContact C-N 3.25Å; E107-E109 PolarHBondContact O-N 2.73Å; E109-A111 VanDerWaalsContact C-N 3.29Å; E109-A111 PolarHBondContact O-N 3.06Å; E109-K112 IonicContact OE1-NZ 3.78Å; E109-K112 PolarHBondContact OE1-NZ 3.37Å; E109-K112 WeakPolarHBondContact OE2-CD 3.33Å; E109-K112 WeakPolarHBondContact OE2-CE 3.38Å; E109-K112 IonicContact OE2-NZ 2.8Å; E109-K112 PolarHBondContact OE2-NZ 3.16Å
110K92.8Very high93Very high133 Ų13361.5 Ų61.558%0.57834%0.34SS*.Hα-helixtrans-69.2-29.6175.1-64177.2-177178.60112.1E107 E108 P114 Y123E107-K110 WeakPolarHBondContact O-CB 3.49Å; E107-K110 PolarHBondContact O-N 3.15Å; E107-K110 VanDerWaalsContact O-N 3.11Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 3.4Å; K110-P114 WeakPolarHBondContact O-CD 3.42Å; K110-Y123 HydrophobicContact CB-CD2 4.3Å; K110-Y123 HydrophobicContact CB-CE2 3.94Å; K110-Y123 HydrophobicContact CD-CE2 4.36Å
111A93.3Very high92.9Very high4 Ų459.1 Ų59.13%0.03332%0.323CS..Hα-helixtrans-77.2-23.6-17800000114.1L103 E107 E108 E109 G113 P114 H115 N121 Y123L103-A111 HydrophobicContact CD1-CB 3.53Å; E107-A111 WeakPolarHBondContact O-CB 3.25Å; E107-A111 PolarHBondContact O-N 3.11Å; E108-A111 PolarHBondContact O-N 3.4Å; E108-A111 VanDerWaalsContact O-N 3.16Å; E109-A111 VanDerWaalsContact C-N 3.29Å; E109-A111 PolarHBondContact O-N 3.06Å; A111-G113 PolarHBondContact O-N 3.49Å; A111-P114 WeakPolarHBondContact O-CD 3.18Å; A111-H115 WeakPolarHBondContact O-CB 3.48Å; A111-H115 PolarHBondContact O-N 3.38Å; A111-N121 WeakPolarHBondContact CB-OD1 3.41Å; A111-Y123 HydrophobicContact CB-CD1 4.05Å; A111-Y123 HydrophobicContact CB-CG 4.11Å
112K90.6Very high92.9Very high127 Ų12759 Ų5955%0.55232%0.322SS*.Hα-helixtrans-54.7-49.1-177.4-76.2177.5179.4170.60113.3E108 E109 H115 E116E108-K112 PolarHBondContact O-N 3.35Å; E109-K112 IonicContact OE1-NZ 3.78Å; E109-K112 PolarHBondContact OE1-NZ 3.37Å; E109-K112 WeakPolarHBondContact OE2-CD 3.33Å; E109-K112 WeakPolarHBondContact OE2-CE 3.38Å; E109-K112 IonicContact OE2-NZ 2.8Å; E109-K112 PolarHBondContact OE2-NZ 3.16Å; K112-H115 PolarHBondContact O-N 2.89Å; K112-E116 PolarHBondContact O-N 2.88Å
113G89.4Confident93Very high50 Ų5055.2 Ų55.252%0.51530%0.296SS..Hα-helixtrans-61.8-56.3-179.800000112.8A111 H115 E116 K117A111-G113 PolarHBondContact O-N 3.49Å; G113-H115 VanDerWaalsContact C-N 3.31Å; G113-H115 PolarHBondContact O-N 3.42Å; G113-E116 PolarHBondContact O-N 3.5Å; G113-K117 PolarHBondContact O-N 3.35Å
114P88.7Confident93.1Very high35 Ų3554.5 Ų54.523%0.22729%0.292CS..Hα-helixtrans-58.5-38.8176.3-23.932.1000113.5K110 A111 E116 K117 Y118 S122K110-P114 WeakPolarHBondContact O-CD 3.42Å; A111-P114 WeakPolarHBondContact O-CD 3.18Å; P114-E116 PolarHBondContact O-N 3.34Å; P114-K117 PolarHBondContact O-N 3.24Å; P114-Y118 VanDerWaalsContact O-CD2 3.26Å; P114-Y118 WeakPolarHBondContact O-CD2 3.11Å; P114-Y118 PolarHBondContact O-N 2.99Å; P114-S122 WeakPolarHBondContact CB-OG 3.4Å
115H90.3Very high93.2Very high38 Ų3852.1 Ų52.118%0.17628%0.276CS..Hα-helixtrans-58.6-50.3175.5-170.4148.9000111.4A111 K112 G113 K117 G119 Y120 Q280A111-H115 WeakPolarHBondContact O-CB 3.48Å; A111-H115 PolarHBondContact O-N 3.38Å; K112-H115 PolarHBondContact O-N 2.89Å; G113-H115 VanDerWaalsContact C-N 3.31Å; G113-H115 PolarHBondContact O-N 3.42Å; H115-K117 VanDerWaalsContact C-N 3.28Å; H115-K117 PolarHBondContact O-N 3.04Å; H115-G119 VanDerWaalsContact O-CA 3.32Å; H115-G119 WeakPolarHBondContact O-CA 3.4Å; H115-G119 PolarHBondContact O-N 3.42Å; H115-Y120 WeakPolarHBondContact CA-O 3.27Å; H115-Q280 PolarHBondContact CE1-OE1 2.83Å; H115-Q280 PolarHBondContact NE2-OE1 3.05Å
116E89.9Confident93.3Very high100 Ų10049.5 Ų49.547%0.46725%0.254SS..Hα-helixtrans-67-30.1179.5-171.257.9-15200112.6K112 G113 P114 K383K112-E116 PolarHBondContact O-N 2.88Å; G113-E116 PolarHBondContact O-N 3.5Å; P114-E116 PolarHBondContact O-N 3.34Å; E116-K383 WeakPolarHBondContact O-CE 3.13Å; E116-K383 PolarHBondContact O-NZ 3.09Å; E116-K383 IonicContact OE1-NZ 2.81Å; E116-K383 PolarHBondContact OE1-NZ 3.23Å
117K91.1Very high93.4Very high104 Ų10448.4 Ų48.445%0.45224%0.236SC..Hα-helixtrans-67.4-55.6176.3-179.3-177.2173.4-167.40112G113 P114 H115 E196 P385G113-K117 PolarHBondContact O-N 3.35Å; P114-K117 PolarHBondContact O-N 3.24Å; H115-K117 VanDerWaalsContact C-N 3.28Å; H115-K117 PolarHBondContact O-N 3.04Å; K117-E196 WeakPolarHBondContact CE-OE1 3.49Å; K117-E196 IonicContact NZ-OE1 3.35Å; K117-E196 PolarHBondContact NZ-OE1 2.85Å; K117-E196 IonicContact NZ-OE2 3.94Å; K117-E196 PolarHBondContact NZ-OE2 2.85Å; K117-P385 WeakPolarHBondContact O-CB 3.34Å
118Y92.4Very high93.5Very high16 Ų1647.1 Ų47.16%0.06323%0.23CC..Hα-helixtrans-89.7-19.1-173-60.5-75.4000113.2P114 Y120 S122 N162 A164 E196 R381P114-Y118 VanDerWaalsContact O-CD2 3.26Å; P114-Y118 WeakPolarHBondContact O-CD2 3.11Å; P114-Y118 PolarHBondContact O-N 2.99Å; Y118-Y120 VanDerWaalsContact C-N 3.32Å; Y118-Y120 HydrophobicContact CG-CE2 4.46Å; Y118-S122 VanDerWaalsContact CD2-OG 3.27Å; Y118-S122 WeakPolarHBondContact CD2-OG 3.25Å; Y118-S122 WeakPolarHBondContact CE2-OG 3.5Å; Y118-N162 WeakPolarHBondContact CE1-O 3.16Å; Y118-A164 HydrophobicContact CD1-CB 4.28Å; Y118-A164 HydrophobicContact CD2-CB 4.29Å; Y118-A164 HydrophobicContact CE1-CB 4.07Å; Y118-A164 HydrophobicContact CE2-CB 4.08Å; Y118-A164 HydrophobicContact CG-CB 4.4Å; Y118-E196 PolarHBondContact OH-OE1 2.99Å; Y118-E196 PolarHBondContact OH-OE2 3.12Å; Y118-R381 PolarHBondContact O-NH1 3.07Å
119G93Very high93.5Very high1 Ų141.9 Ų41.91%0.0121%0.206CC..SBendtrans81.112.9-172.400000113.7H115 R381 K382H115-G119 VanDerWaalsContact O-CA 3.32Å; H115-G119 WeakPolarHBondContact O-CA 3.4Å; H115-G119 PolarHBondContact O-N 3.42Å; G119-R381 WeakPolarHBondContact O-CA 3.39Å; G119-K382 PolarHBondContact O-N 3.41Å
120Y95.8Very high93.6Very high0 Ų036.3 Ų36.30%018%0.18CC..SBendtrans-154.9161.317160.6-108.6000109.5H115 Y118 S122 E163 A164 V167 Q280 F283 I379 R381H115-Y120 WeakPolarHBondContact CA-O 3.27Å; Y118-Y120 VanDerWaalsContact C-N 3.32Å; Y118-Y120 HydrophobicContact CG-CE2 4.46Å; Y120-S122 VanDerWaalsContact C-N 3.35Å; Y120-S122 PolarHBondContact O-N 3.3Å; Y120-E163 PolarHBondContact OH-OE1 3.22Å; Y120-A164 HydrophobicContact CE2-CB 4.24Å; Y120-A164 WeakPolarHBondContact OH-CB 3.29Å; Y120-A164 PolarHBondContact OH-N 2.81Å; Y120-V167 HydrophobicContact CD2-CG2 4.43Å; Y120-V167 HydrophobicContact CE2-CB 4.49Å; Y120-V167 HydrophobicContact CE2-CG2 3.57Å; Y120-Q280 CarbonylContact C-O 3.43Å; Y120-Q280 WeakPolarHBondContact CA-O 3.3Å; Y120-F283 HydrophobicContact CD2-CZ 4.23Å; Y120-I379 HydrophobicContact CD1-CG2 3.84Å; Y120-I379 HydrophobicContact CG-CG2 3.93Å; Y120-R381 HydrophobicContact CD1-CG 4.2Å; Y120-R381 VanDerWaalsContact CE1-CZ 3.44Å; Y120-R381 VanDerWaalsContact CE1-NH1 3.3Å
121N95.8Very high93.7Very high14 Ų1430.5 Ų30.58%0.07516%0.155CC..  trans-75.574.8-175-165.6-15000113.2A111 Y123 L124 S125 Q280 D281 F283A111-N121 WeakPolarHBondContact CB-OD1 3.41Å; N121-Y123 PolarHBondContact O-N 3.37Å; N121-L124 HydrophobicContact CB-CB 3.99Å; N121-L124 WeakPolarHBondContact ND2-CB 3.15Å; N121-L124 PolarHBondContact O-N 3.4Å; N121-L124 VanDerWaalsContact O-N 3.16Å; N121-L124 VanDerWaalsContact OD1-CB 3.3Å; N121-L124 WeakPolarHBondContact OD1-CB 3.37Å; N121-L124 PolarHBondContact OD1-N 2.87Å; N121-S125 PolarHBondContact O-N 3.44Å; N121-Q280 WeakPolarHBondContact CB-O 3.36Å; N121-Q280 PolarHBondContact N-O 3.07Å; N121-D281 WeakPolarHBondContact CB-O 3.37Å; N121-D281 PolarHBondContact ND2-O 2.93Å; N121-F283 HydrophobicContact CB-CE2 4.41Å; N121-F283 VanDerWaalsContact O-CE2 3.27Å; N121-F283 WeakPolarHBondContact O-CE2 3.36Å
122S95.9Very high93.7Very high2 Ų230.7 Ų30.71%0.01416%0.155CC..Hα-helixtrans-61.8-31.9-179.8660000113.1P114 Y118 Y120 S125 E126P114-S122 WeakPolarHBondContact CB-OG 3.4Å; Y118-S122 VanDerWaalsContact CD2-OG 3.27Å; Y118-S122 WeakPolarHBondContact CD2-OG 3.25Å; Y118-S122 WeakPolarHBondContact CE2-OG 3.5Å; Y120-S122 VanDerWaalsContact C-N 3.35Å; Y120-S122 PolarHBondContact O-N 3.3Å; S122-S125 WeakPolarHBondContact O-CA 3.26Å; S122-S125 VanDerWaalsContact O-CB 3.24Å; S122-S125 WeakPolarHBondContact O-CB 3.35Å; S122-S125 PolarHBondContact O-N 3.33Å; S122-S125 VanDerWaalsContact O-N 3.15Å; S122-E126 PolarHBondContact O-N 3.08Å
123Y96.3Very high93.9Very high32 Ų3226.9 Ų26.913%0.12514%0.144CC..Hα-helixtrans-62-45174.3-174.2-88.9000111.3L103 E107 K110 A111 N121 S125 E126 K127L103-Y123 HydrophobicContact CD1-CD1 3.87Å; L103-Y123 HydrophobicContact CD1-CE1 4.45Å; L103-Y123 HydrophobicContact CD2-CD1 4.13Å; L103-Y123 HydrophobicContact CD2-CE1 4.23Å; E107-Y123 HydrophobicContact CB-CE1 3.78Å; E107-Y123 HydrophobicContact CG-CE1 3.93Å; K110-Y123 HydrophobicContact CB-CD2 4.3Å; K110-Y123 HydrophobicContact CB-CE2 3.94Å; K110-Y123 HydrophobicContact CD-CE2 4.36Å; A111-Y123 HydrophobicContact CB-CD1 4.05Å; A111-Y123 HydrophobicContact CB-CG 4.11Å; N121-Y123 PolarHBondContact O-N 3.37Å; Y123-S125 VanDerWaalsContact C-N 3.29Å; Y123-S125 PolarHBondContact O-N 3.27Å; Y123-E126 WeakPolarHBondContact O-CB 3.25Å; Y123-E126 PolarHBondContact O-N 3.2Å; Y123-K127 HydrophobicContact CE1-CG 4.21Å; Y123-K127 PolarHBondContact O-N 3.26Å
124L96.8Very high94.2Very high2 Ų225.5 Ų25.51%0.0113%0.125CC..Hα-helixtrans-63.4-37.4173.6177.660000111.5A101 L103 N121 E126 K127 I128 D281 F283A101-L124 HydrophobicContact CB-CD1 3.81Å; A101-L124 HydrophobicContact CB-CD2 4.12Å; A101-L124 HydrophobicContact CB-CG 4.26Å; L103-L124 HydrophobicContact CD1-CB 4.21Å; L103-L124 HydrophobicContact CD2-CB 4.23Å; L103-L124 HydrophobicContact CD2-CD1 3.52Å; L103-L124 HydrophobicContact CD2-CG 4.46Å; L103-L124 HydrophobicContact CG-CB 4.28Å; L103-L124 HydrophobicContact CG-CD1 3.87Å; N121-L124 HydrophobicContact CB-CB 3.99Å; N121-L124 WeakPolarHBondContact ND2-CB 3.15Å; N121-L124 PolarHBondContact O-N 3.4Å; N121-L124 VanDerWaalsContact O-N 3.16Å; N121-L124 VanDerWaalsContact OD1-CB 3.3Å; N121-L124 WeakPolarHBondContact OD1-CB 3.37Å; N121-L124 PolarHBondContact OD1-N 2.87Å; L124-E126 VanDerWaalsContact C-N 3.29Å; L124-E126 PolarHBondContact O-N 3.22Å; L124-K127 CarbonylContact O-C 3.01Å; L124-K127 WeakPolarHBondContact O-CA 3.45Å; L124-K127 PolarHBondContact O-N 3.46Å; L124-I128 HydrophobicContact CD1-CD1 4.29Å; L124-I128 HydrophobicContact CD1-CG1 4.29Å; L124-I128 HydrophobicContact CG-CD1 3.91Å; L124-I128 HydrophobicContact CG-CG1 4.37Å; L124-I128 WeakPolarHBondContact O-CG1 3.16Å; L124-I128 PolarHBondContact O-N 3.12Å; L124-I128 VanDerWaalsContact O-N 3.1Å; L124-D281 WeakPolarHBondContact CD2-O 3.44Å; L124-F283 HydrophobicContact CD2-CD2 4.32Å; L124-F283 HydrophobicContact CG-CD2 4.49Å
125S96.9Very high94.5Very high0 Ų025.4 Ų25.40%012%0.124CC..Hα-helixtrans-56.1-42.1173-1780000111.9N121 S122 Y123 K127 I128 S166 V167 R170N121-S125 PolarHBondContact O-N 3.44Å; S122-S125 WeakPolarHBondContact O-CA 3.26Å; S122-S125 VanDerWaalsContact O-CB 3.24Å; S122-S125 WeakPolarHBondContact O-CB 3.35Å; S122-S125 PolarHBondContact O-N 3.33Å; S122-S125 VanDerWaalsContact O-N 3.15Å; Y123-S125 VanDerWaalsContact C-N 3.29Å; Y123-S125 PolarHBondContact O-N 3.27Å; S125-K127 PolarHBondContact O-N 3Å; S125-I128 PolarHBondContact O-N 2.68Å; S125-I128 VanDerWaalsContact O-N 3.12Å; S125-S166 VanDerWaalsContact CB-OG 3.31Å; S125-S166 WeakPolarHBondContact CB-OG 3.3Å; S125-S166 PolarHBondContact OG-OG 3.24Å; S125-V167 WeakPolarHBondContact OG-CG2 3.21Å; S125-R170 PolarHBondContact O-NH2 2.92Å; S125-R170 PolarHBondContact OG-NE 3.25Å; S125-R170 PolarHBondContact OG-NH2 2.67Å; S125-R170 VanDerWaalsContact OG-NH2 3.09Å
126E95.7Very high94.7Very high53 Ų5326 Ų2625%0.24813%0.129CC..Hα-helixtrans-61.3-26.4175.3-64.1165.4-157.400113.1L87 S122 Y123 L124L87-E126 HydrophobicContact CD2-CB 4.08Å; L87-E126 HydrophobicContact CD2-CG 3.89Å; S122-E126 PolarHBondContact O-N 3.08Å; Y123-E126 WeakPolarHBondContact O-CB 3.25Å; Y123-E126 PolarHBondContact O-N 3.2Å; L124-E126 VanDerWaalsContact C-N 3.29Å; L124-E126 PolarHBondContact O-N 3.22Å
127K95.5Very high95Very high46 Ų4624.6 Ų24.620%0.212%0.12CC..THydrogen-bonded Turntrans-94.20.5179.5-50.8-52.3170.8-148.60113.8R94 L103 Y123 L124 S125R94-K127 VanDerWaalsContact NH1-CB 3.25Å; L103-K127 HydrophobicContact CD2-CG 4.37Å; Y123-K127 HydrophobicContact CE1-CG 4.21Å; Y123-K127 PolarHBondContact O-N 3.26Å; L124-K127 CarbonylContact O-C 3.01Å; L124-K127 WeakPolarHBondContact O-CA 3.45Å; L124-K127 PolarHBondContact O-N 3.46Å; S125-K127 PolarHBondContact O-N 3Å
128I96.2Very high95.3Very high1 Ų121.2 Ų21.21%0.00510%0.104CC..BIsolated β-bridgetrans-105.3130.9172.6-67.9170.1000107.4R94 A101 L124 S125 L130 R132 R170 F283R94-I128 HydrophobicContact CB-CG1 4.15Å; A101-I128 HydrophobicContact CB-CD1 3.71Å; A101-I128 HydrophobicContact CB-CG1 3.93Å; L124-I128 HydrophobicContact CD1-CD1 4.29Å; L124-I128 HydrophobicContact CD1-CG1 4.29Å; L124-I128 HydrophobicContact CG-CD1 3.91Å; L124-I128 HydrophobicContact CG-CG1 4.37Å; L124-I128 WeakPolarHBondContact O-CG1 3.16Å; L124-I128 PolarHBondContact O-N 3.12Å; L124-I128 VanDerWaalsContact O-N 3.1Å; S125-I128 PolarHBondContact O-N 2.68Å; S125-I128 VanDerWaalsContact O-N 3.12Å; I128-L130 PolarHBondContact O-N 2.71Å; I128-R132 HydrophobicContact CG2-CB 4.24Å; I128-R132 HydrophobicContact CG2-CG 4.02Å; I128-R170 PolarHBondContact O-NH2 3.43Å; I128-F283 HydrophobicContact CD1-CB 3.44Å; I128-F283 VanDerWaalsContact CD1-CB 3.44Å; I128-F283 HydrophobicContact CD1-CD1 4.21Å; I128-F283 HydrophobicContact CD1-CD2 4.29Å; I128-F283 HydrophobicContact CD1-CG 3.74Å
129S95.2Very high95.5Very high1 Ų121.4 Ų21.41%0.00711%0.107CC..  trans-55.3138.2179.4-179.40000112.5I88 G90 D131 R132 R170I88-S129 CarbonylContact O-C 3.53Å; I88-S129 VanDerWaalsContact O-CA 3.26Å; I88-S129 WeakPolarHBondContact O-CA 3.45Å; I88-S129 PolarHBondContact O-OG 3.39Å; G90-S129 PolarHBondContact N-OG 3.15Å; G90-S129 VanDerWaalsContact N-OG 3.16Å; G90-S129 WeakPolarHBondContact O-CB 3.45Å; G90-S129 PolarHBondContact O-OG 3.45Å; S129-D131 PolarHBondContact O-N 3.27Å; S129-D131 PolarHBondContact OG-N 2.74Å; S129-R132 PolarHBondContact O-N 3.44Å; S129-R170 PolarHBondContact O-NH1 3.18Å
130L95Very high95.6Very high4 Ų426.5 Ų26.52%0.02114%0.138CC..THydrogen-bonded Turntrans-61.6-23.5172.6-60.2179.9000112.3L87 I88 E89 I128 S166 L169 R170 H173 Y206L87-L130 HydrophobicContact CB-CD1 4.33Å; L87-L130 HydrophobicContact CD1-CD1 4.17Å; I88-L130 PolarHBondContact O-N 3.45Å; E89-L130 HydrophobicContact CG-CD1 4.34Å; I128-L130 PolarHBondContact O-N 2.71Å; L130-S166 WeakPolarHBondContact CD2-O 3.38Å; L130-L169 HydrophobicContact CD1-CB 4.04Å; L130-L169 HydrophobicContact CD2-CB 4.18Å; L130-R170 HydrophobicContact CD2-CB 4.14Å; L130-H173 HydrophobicContact CB-CB 4.25Å; L130-H173 WeakPolarHBondContact O-CB 3.27Å; L130-Y206 WeakPolarHBondContact CD1-OH 3.33Å
131D93.4Very high95.5Very high10 Ų1031.2 Ų31.25%0.05316%0.159CC..THydrogen-bonded Turntrans-104.922.9178.9-52-66.4000112.9G90 Y91 S129 S133 H173 N177G90-D131 PolarHBondContact N-OD2 2.79Å; Y91-D131 HydrophobicContact CD1-CB 4.47Å; S129-D131 PolarHBondContact O-N 3.27Å; S129-D131 PolarHBondContact OG-N 2.74Å; D131-S133 PolarHBondContact O-N 2.9Å; D131-H173 IonicContact OD1-CE1 2.9Å; D131-H173 IonicContact OD1-CG 2.89Å; D131-H173 IonicContact OD1-ND1 2.95Å; D131-H173 PolarHBondContact OD1-ND1 2.88Å; D131-H173 IonicContact OD2-ND1 3.31Å; D131-N177 PolarHBondContact OD1-ND2 3.38Å
132R94.6Very high95.6Very high8 Ų830.6 Ų30.63%0.0316%0.156CC..  trans-56.5142.9176.867.7156.5176.8-179.85.1110.7G95 I128 S129 E250 F283G95-R132 WeakPolarHBondContact O-CD 3.37Å; I128-R132 HydrophobicContact CG2-CB 4.24Å; I128-R132 HydrophobicContact CG2-CG 4.02Å; S129-R132 PolarHBondContact O-N 3.44Å; R132-E250 WeakPolarHBondContact CG-OE2 3.22Å; R132-E250 IonicContact CZ-OE1 2.83Å; R132-E250 IonicContact CZ-OE2 3.79Å; R132-E250 IonicContact NE-OE1 3.94Å; R132-E250 PolarHBondContact NE-OE1 3.33Å; R132-E250 IonicContact NE-OE2 3.91Å; R132-E250 PolarHBondContact NE-OE2 3.07Å; R132-E250 IonicContact NH2-OE1 3.37Å; R132-E250 PolarHBondContact NH2-OE1 2.75Å; R132-E250 IonicContact NH2-OE2 3.78Å; R132-F283 PolarHBondContact NH1-O 3.28Å; R132-F283 PolarHBondContact NH2-O 3.3Å
133S94.2Very high95.5Very high47 Ų4735.3 Ų35.333%0.32918%0.176SC..  trans-75.3146.7167.959.30000110.7G97 G98 D131G97-S133 CarbonylContact C-O 3.42Å; G97-S133 WeakPolarHBondContact CA-O 3.39Å; G97-S133 WeakPolarHBondContact CA-OG 3.43Å; G97-S133 PolarHBondContact N-O 3.3Å; G97-S133 PolarHBondContact N-OG 2.97Å; G97-S133 VanDerWaalsContact N-OG 3.08Å; G98-S133 PolarHBondContact N-O 2.89Å; D131-S133 PolarHBondContact O-N 2.9Å
134I95.1Very high95.3Very high22 Ų2240.5 Ų40.511%0.11320%0.201CC..  trans-124.3155.617063.4169.6000110.6E250 F251 T252 V285 A377I134-E250 HydrophobicContact CD1-CB 3.86Å; I134-F251 WeakPolarHBondContact CD1-O 3.34Å; I134-T252 HydrophobicContact CD1-CG2 3.54Å; I134-T252 HydrophobicContact CG1-CG2 4.14Å; I134-V285 HydrophobicContact CB-CG2 4.25Å; I134-V285 HydrophobicContact CG2-CG2 3.87Å; I134-A377 HydrophobicContact CD1-CB 4.36Å
135P95Very high95.2Very high33 Ų3343.8 Ų43.821%0.21422%0.218CC..  trans-64.1145-177.3-23.135000113.4G97 Y137G97-P135 VanDerWaalsContact O-CD 3.3Å; G97-P135 WeakPolarHBondContact O-CD 3.38Å; G97-P135 WeakPolarHBondContact O-CG 3.5Å; P135-Y137 HydrophobicContact CB-CD1 4.12Å; P135-Y137 HydrophobicContact CB-CD2 4.27Å; P135-Y137 HydrophobicContact CB-CE1 3.69Å; P135-Y137 HydrophobicContact CB-CE2 3.88Å; P135-Y137 HydrophobicContact CB-CG 4.39Å; P135-Y137 HydrophobicContact CG-CE1 4.32Å; P135-Y137 HydrophobicContact CG-CE2 4.14Å; P135-Y137 PolarHBondContact O-N 3.21Å
136D95.7Very high95.1Very high50 Ų5052.7 Ų52.727%0.26726%0.257SS..  trans-91.591.7168.8179.44.3000110.5R138 K143D136-R138 VanDerWaalsContact C-N 3.29Å; D136-R138 PolarHBondContact O-N 3.2Å; D136-R138 VanDerWaalsContact OD1-CB 3.27Å; D136-R138 WeakPolarHBondContact OD1-CB 3.44Å; D136-R138 VanDerWaalsContact OD1-CG 3.29Å; D136-R138 WeakPolarHBondContact OD1-CG 3.39Å; D136-R138 IonicContact OD1-CZ 2.91Å; D136-R138 PolarHBondContact OD1-N 2.87Å; D136-R138 VanDerWaalsContact OD1-N 3.09Å; D136-R138 IonicContact OD1-NE 2.68Å; D136-R138 PolarHBondContact OD1-NE 2.95Å; D136-R138 IonicContact OD1-NH2 3.23Å; D136-R138 IonicContact OD2-CZ 3.3Å; D136-R138 IonicContact OD2-NE 2.92Å; D136-R138 PolarHBondContact OD2-NE 3.45Å; D136-R138 IonicContact OD2-NH2 3.17Å; D136-R138 PolarHBondContact OD2-NH2 2.87Å; D136-K143 PolarHBondContact O-NZ 2.96Å; D136-K143 VanDerWaalsContact O-NZ 3.1Å; D136-K143 VanDerWaalsContact OD2-CE 3.23Å; D136-K143 WeakPolarHBondContact OD2-CE 3.32Å; D136-K143 IonicContact OD2-NZ 3.62Å
137Y96.4Very high95.1Very high70 Ų7053.3 Ų53.328%0.27526%0.258SS..  trans-82.97.3179.1-66.6-48000114.8P135 V285 R287 R375P135-Y137 HydrophobicContact CB-CD1 4.12Å; P135-Y137 HydrophobicContact CB-CD2 4.27Å; P135-Y137 HydrophobicContact CB-CE1 3.69Å; P135-Y137 HydrophobicContact CB-CE2 3.88Å; P135-Y137 HydrophobicContact CB-CG 4.39Å; P135-Y137 HydrophobicContact CG-CE1 4.32Å; P135-Y137 HydrophobicContact CG-CE2 4.14Å; P135-Y137 PolarHBondContact O-N 3.21Å; Y137-V285 HydrophobicContact CE2-CG1 4.07Å; Y137-V285 PolarHBondContact OH-O 3.22Å; Y137-R287 HydrophobicContact CD1-CB 3.92Å; Y137-R287 HydrophobicContact CD1-CG 4.2Å; Y137-R287 HydrophobicContact CD2-CB 3.73Å; Y137-R287 HydrophobicContact CD2-CG 4.11Å; Y137-R287 HydrophobicContact CE1-CB 4.06Å; Y137-R287 HydrophobicContact CE2-CB 3.85Å; Y137-R287 HydrophobicContact CG-CB 3.76Å; Y137-R287 HydrophobicContact CG-CG 3.82Å; Y137-R375 VanDerWaalsContact C-CD 3.48Å
138R96.7Very high95Very high34 Ų3454.2 Ų54.213%0.12827%0.27CS..SBendtrans-60.8143.7175.4-65.8175.1-61.9166.14.3110.4D136 C142 K143 A253 G254 C373 R375D136-R138 VanDerWaalsContact C-N 3.29Å; D136-R138 PolarHBondContact O-N 3.2Å; D136-R138 VanDerWaalsContact OD1-CB 3.27Å; D136-R138 WeakPolarHBondContact OD1-CB 3.44Å; D136-R138 VanDerWaalsContact OD1-CG 3.29Å; D136-R138 WeakPolarHBondContact OD1-CG 3.39Å; D136-R138 IonicContact OD1-CZ 2.91Å; D136-R138 PolarHBondContact OD1-N 2.87Å; D136-R138 VanDerWaalsContact OD1-N 3.09Å; D136-R138 IonicContact OD1-NE 2.68Å; D136-R138 PolarHBondContact OD1-NE 2.95Å; D136-R138 IonicContact OD1-NH2 3.23Å; D136-R138 IonicContact OD2-CZ 3.3Å; D136-R138 IonicContact OD2-NE 2.92Å; D136-R138 PolarHBondContact OD2-NE 3.45Å; D136-R138 IonicContact OD2-NH2 3.17Å; D136-R138 PolarHBondContact OD2-NH2 2.87Å; R138-C142 HydrophobicContact CB-CB 4.03Å; R138-K143 WeakPolarHBondContact O-CE 3.26Å; R138-A253 PolarHBondContact NE-O 3.5Å; R138-A253 PolarHBondContact NH1-O 3.43Å; R138-A253 PolarHBondContact NH2-O 3.46Å; R138-G254 PolarHBondContact NH1-O 3.07Å; R138-C373 WeakPolarHBondContact CD-O 3.43Å; R138-R375 HydrophobicContact CG-CG 3.85Å
139P95.6Very high94.9Very high20 Ų2062.8 Ų62.813%0.1331%0.307CS..  trans-49.4144.3171.2-25.130.5000111.8K141 C142 P316 P372P139-K141 PolarHBondContact O-N 3.26Å; P139-K141 VanDerWaalsContact O-N 3.15Å; P139-C142 VanDerWaalsContact O-CB 3.23Å; P139-C142 WeakPolarHBondContact O-CB 3.23Å; P139-C142 PolarHBondContact O-N 2.65Å; P139-P316 HydrophobicContact CB-CB 4.31Å; P139-P316 HydrophobicContact CB-CG 4.14Å; P139-P316 HydrophobicContact CG-CB 4.2Å; P139-P316 WeakPolarHBondContact CG-O 3.35Å; P139-P372 WeakPolarHBondContact CD-O 3.42Å; P139-P372 HydrophobicContact CG-CB 4.06Å
140T95.1Very high94.9Very high107 Ų10768.9 Ų68.966%0.65634%0.34SS*.Hα-helixtrans-52.3-42.4-177.1-52.70000112.2C142 K143T140-C142 VanDerWaalsContact C-N 3.26Å; T140-C142 PolarHBondContact O-N 2.78Å; T140-K143 WeakPolarHBondContact O-CB 3.25Å; T140-K143 PolarHBondContact O-N 3.35Å
141K95.3Very high95.1Very high99 Ų9969.2 Ų69.243%0.4334%0.341SS..Hα-helixtrans-59.5-32.3178-168.8172.7-179.1-176.10113.4P139 K143 E144 L145 D315P139-K141 PolarHBondContact O-N 3.26Å; P139-K141 VanDerWaalsContact O-N 3.15Å; K141-K143 PolarHBondContact O-N 2.88Å; K141-E144 PolarHBondContact O-N 3.49Å; K141-L145 PolarHBondContact O-N 2.99Å; K141-D315 WeakPolarHBondContact CE-OD2 3.23Å; K141-D315 IonicContact NZ-OD1 2.74Å; K141-D315 IonicContact NZ-OD2 3.58Å; K141-D315 PolarHBondContact NZ-OD2 3.14Å
142C96.9Very high95.3Very high2 Ų269.4 Ų69.41%0.01434%0.343CS..Hα-helixtrans-63.4-27.3175.9-63.10000112.8R138 P139 T140 E144 S317 C373R138-C142 HydrophobicContact CB-CB 4.03Å; P139-C142 VanDerWaalsContact O-CB 3.23Å; P139-C142 WeakPolarHBondContact O-CB 3.23Å; P139-C142 PolarHBondContact O-N 2.65Å; T140-C142 VanDerWaalsContact C-N 3.26Å; T140-C142 PolarHBondContact O-N 2.78Å; C142-E144 VanDerWaalsContact C-N 3.28Å; C142-S317 VanDerWaalsContact SG-CB 3.59Å; C142-C373 HydrophobicContact CB-CB 3.61Å; C142-C373 WeakPolarHBondContact CB-SG 3.38Å; C142-C373 WeakPolarHBondContact SG-CA 3.43Å; C142-C373 WeakPolarHBondContact SG-CB 3.3Å; C142-C373 CovalentContact SG-SG 2.04Å; C142-C373 PolarHBondContact SG-SG 2.86Å
143K93.3Very high95.5Very high100 Ų10072.2 Ų72.244%0.43536%0.357SS..Hα-helixtrans-76.4-19.7-179.1-54.4-177.2-176.9-171.60112.1D136 R138 T140 K141D136-K143 PolarHBondContact O-NZ 2.96Å; D136-K143 VanDerWaalsContact O-NZ 3.1Å; D136-K143 VanDerWaalsContact OD2-CE 3.23Å; D136-K143 WeakPolarHBondContact OD2-CE 3.32Å; D136-K143 IonicContact OD2-NZ 3.62Å; R138-K143 WeakPolarHBondContact O-CE 3.26Å; T140-K143 WeakPolarHBondContact O-CB 3.25Å; T140-K143 PolarHBondContact O-N 3.35Å; K141-K143 PolarHBondContact O-N 2.88Å
144E93.3Very high95.8Very high141 Ų14170 Ų7066%0.65934%0.341SS*.Hα-helixtrans-88.5-21.8178.3-62.7172.117900112.2K141 C142K141-E144 PolarHBondContact O-N 3.49Å; C142-E144 VanDerWaalsContact C-N 3.28Å
145L94Very high95.9Very high71 Ų7169 Ų6937%0.37234%0.336SS..  trans-62.2138.3178.3-64177.4000111.3K141 Y147K141-L145 PolarHBondContact O-N 2.99Å; L145-Y147 HydrophobicContact CB-CE2 4.1Å; L145-Y147 WeakPolarHBondContact CD1-OH 3.41Å
146K94.7Very high96.1Very high188 Ų18867.4 Ų67.482%0.81733%0.326SS*.  trans-111.8129.5174.5-59.3-58.7179.1-168.50109
147Y95.6Very high96.3Very high65 Ų6565 Ų6526%0.25531%0.313SS..  trans-106152.6177.2-58.9-76.4000110L145 E257 P258L145-Y147 HydrophobicContact CB-CE2 4.1Å; L145-Y147 WeakPolarHBondContact CD1-OH 3.41Å; Y147-E257 HydrophobicContact CD2-CB 3.71Å; Y147-E257 HydrophobicContact CE2-CB 4.46Å; Y147-E257 HydrophobicContact CG-CB 3.83Å; Y147-P258 HydrophobicContact CE1-CB 4.1Å; Y147-P258 HydrophobicContact CE1-CG 4.36Å; Y147-P258 HydrophobicContact CE2-CB 4.39Å; Y147-P258 HydrophobicContact CE2-CG 3.76Å; Y147-P258 WeakPolarHBondContact OH-CB 3.49Å; Y147-P258 WeakPolarHBondContact OH-CG 3.38Å
148S94.5Very high96.4Very high65 Ų6561.8 Ų61.846%0.45530%0.3SS..  trans-57.4147.9171.9-1770000110.4D150 L151S148-D150 VanDerWaalsContact C-N 3.33Å; S148-D150 PolarHBondContact OG-N 3.36Å; S148-D150 PolarHBondContact OG-O 3.47Å; S148-L151 VanDerWaalsContact O-CD1 3.28Å; S148-L151 WeakPolarHBondContact O-CD1 3.34Å; S148-L151 WeakPolarHBondContact O-CG 3.34Å
149K93Very high96.4Very high182 Ų18261 Ų6179%0.79130%0.298SS*.SBendtrans-79.1-23.2167.3-63.2-172179.7-178.90112L151K149-L151 PolarHBondContact O-N 2.83Å
150D96.4Very high96.4Very high129 Ų12960.4 Ų60.469%0.6929%0.294SS*.  trans-89.280.1175.9-174.125.4000109.3S148 Q264S148-D150 VanDerWaalsContact C-N 3.33Å; S148-D150 PolarHBondContact OG-N 3.36Å; S148-D150 PolarHBondContact OG-O 3.47Å; D150-Q264 PolarHBondContact O-NE2 2.04Å
151L98.4Very high96.4Very high10 Ų1056 Ų565%0.05227%0.267CS..  trans-117.3150.9176.5-71.3172.2000109.6S148 K149 L183 E257 L260S148-L151 VanDerWaalsContact O-CD1 3.28Å; S148-L151 WeakPolarHBondContact O-CD1 3.34Å; S148-L151 WeakPolarHBondContact O-CG 3.34Å; K149-L151 PolarHBondContact O-N 2.83Å; L151-L183 HydrophobicContact CB-CD1 4.42Å; L151-L183 HydrophobicContact CB-CD2 3.7Å; L151-L183 HydrophobicContact CD1-CD1 4.18Å; L151-E257 HydrophobicContact CD1-CB 4.08Å; L151-E257 HydrophobicContact CD1-CG 4.4Å; L151-L260 HydrophobicContact CB-CB 4.17Å; L151-L260 HydrophobicContact CD1-CB 4.22Å; L151-L260 HydrophobicContact CD2-CB 4.36Å; L151-L260 HydrophobicContact CG-CB 4.5Å
152P98.4Very high96.4Very high15 Ų1553.4 Ų53.410%0.09726%0.258CS..  trans-64.2146.2179.127.4-35.3000111.7Q240 V241 L260 Q264P152-Q240 VanDerWaalsContact CA-OE1 3.3Å; P152-Q240 HydrophobicContact CB-CB 3.94Å; P152-V241 HydrophobicContact CB-CG2 4.07Å; P152-V241 HydrophobicContact CG-CG2 3.89Å; P152-L260 HydrophobicContact CG-CB 4.44Å; P152-L260 HydrophobicContact CG-CD2 4.37Å; P152-L260 WeakPolarHBondContact O-CD1 3.43Å; P152-Q264 HydrophobicContact CG-CB 4.41Å
153Q98.7Very high96.3Very high67 Ų6753.5 Ų53.531%0.31326%0.258SS..  trans-76.1144.9177.9-58.9-169.8-49.600112.3H182 L183 K185 Q240 V241Q153-H182 PolarHBondContact NE2-O 3.09Å; Q153-L183 CarbonylContact C-O 3.36Å; Q153-L183 WeakPolarHBondContact CA-O 3.45Å; Q153-L183 WeakPolarHBondContact CB-O 3.14Å; Q153-K185 HydrophobicContact CB-CB 3.98Å; Q153-K185 VanDerWaalsContact OE1-CD 3.31Å; Q153-Q240 PolarHBondContact O-N 3.4Å; Q153-Q240 VanDerWaalsContact O-N 3.14Å; Q153-V241 PolarHBondContact O-N 2.91Å; Q153-V241 VanDerWaalsContact O-N 3.1Å
154I98.8Very high96.5Very high0 Ų049 Ų490%024%0.239CC..EExtended strand (participates in β ladder)trans-107.2133.1179.8-170.3167.3000112.4I156 T179 L183 L184 K185 V241 W255 L260 V331I154-I156 HydrophobicContact CD1-CG1 4.44Å; I154-I156 HydrophobicContact CG1-CG1 4.31Å; I154-I156 HydrophobicContact CG2-CG1 4.43Å; I154-T179 HydrophobicContact CG2-CG2 4.31Å; I154-L183 PolarHBondContact N-O 3.3Å; I154-L184 HydrophobicContact CG2-CD1 4.45Å; I154-K185 WeakPolarHBondContact O-CB 3.33Å; I154-K185 PolarHBondContact O-N 3.31Å; I154-V241 CarbonylContact C-O 3.54Å; I154-V241 WeakPolarHBondContact CA-O 2.92Å; I154-V241 HydrophobicContact CB-CB 4.43Å; I154-V241 HydrophobicContact CD1-CG1 4.21Å; I154-V241 HydrophobicContact CG1-CB 4.42Å; I154-V241 HydrophobicContact CG1-CG1 4.13Å; I154-W255 HydrophobicContact CD1-CH2 4.07Å; I154-L260 HydrophobicContact CB-CD2 4.1Å; I154-V331 HydrophobicContact CD1-CG1 3.68Å; I154-V331 HydrophobicContact CD1-CG2 4.48Å
155S98.9Very high96.6Very high0 Ų042.6 Ų42.60%021%0.209CC..EExtended strand (participates in β ladder)trans-94.2121.9160.7-58.40000108.7E186 G239 V241 T242 G243S155-E186 WeakPolarHBondContact CA-O 3.35Å; S155-E186 WeakPolarHBondContact OG-CG 3.33Å; S155-E186 PolarHBondContact OG-OE1 3.42Å; S155-G239 WeakPolarHBondContact OG-CA 3.44Å; S155-G239 PolarHBondContact OG-N 3.27Å; S155-V241 PolarHBondContact N-O 3.29Å; S155-T242 WeakPolarHBondContact O-CA 3.44Å; S155-G243 PolarHBondContact O-N 2.96Å
156I98.8Very high96.8Very high0 Ų039.4 Ų39.40%019%0.193CC..EExtended strand (participates in β ladder)trans-94.1127.3177.5-61.6178000108.4I154 F158 A175 L184 E186 I187 I188 G243 F245 F251 W255I154-I156 HydrophobicContact CD1-CG1 4.44Å; I154-I156 HydrophobicContact CG1-CG1 4.31Å; I154-I156 HydrophobicContact CG2-CG1 4.43Å; I156-F158 HydrophobicContact CG2-CD2 4.19Å; I156-F158 HydrophobicContact CG2-CE1 4.2Å; I156-F158 HydrophobicContact CG2-CE2 3.57Å; I156-F158 HydrophobicContact CG2-CZ 3.56Å; I156-A175 HydrophobicContact CD1-CB 3.97Å; I156-L184 HydrophobicContact CD1-CD1 3.62Å; I156-L184 HydrophobicContact CG1-CD1 3.93Å; I156-E186 PolarHBondContact N-O 3.01Å; I156-I187 HydrophobicContact CB-CG1 4.31Å; I156-I187 CarbonylContact O-C 2.91Å; I156-I187 WeakPolarHBondContact O-CA 3.41Å; I156-I188 PolarHBondContact O-N 2.67Å; I156-G243 CarbonylContact C-O 3.56Å; I156-F245 HydrophobicContact CG2-CD2 3.77Å; I156-F245 HydrophobicContact CG2-CE2 4.1Å; I156-F251 HydrophobicContact CG2-CZ 4.44Å; I156-W255 HydrophobicContact CD1-CH2 4.17Å; I156-W255 HydrophobicContact CD1-CZ2 3.8Å
157I98.8Very high96.9Very high1 Ų130.5 Ų30.51%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-117.2116-177-60.5161.8000108I159 I188 V190 A237 T242 G243 F244 F245I157-I159 HydrophobicContact CG2-CG2 4.46Å; I157-I188 WeakPolarHBondContact CA-O 3.17Å; I157-I188 HydrophobicContact CG1-CB 4.22Å; I157-I188 HydrophobicContact CG1-CD1 4.03Å; I157-V190 HydrophobicContact CG2-CG2 4.02Å; I157-A237 HydrophobicContact CD1-CB 4.24Å; I157-T242 HydrophobicContact CD1-CG2 4.18Å; I157-G243 PolarHBondContact N-O 3.17Å; I157-F244 HydrophobicContact CB-CD1 4.13Å; I157-F244 HydrophobicContact CB-CE1 4.49Å; I157-F244 HydrophobicContact CD1-CD1 3.96Å; I157-F244 HydrophobicContact CD1-CE1 3.48Å; I157-F244 VanDerWaalsContact CD1-CE1 3.48Å; I157-F244 HydrophobicContact CD1-CZ 3.92Å; I157-F244 HydrophobicContact CG2-CD1 4.18Å; I157-F244 HydrophobicContact CG2-CE1 4.48Å; I157-F245 PolarHBondContact O-N 2.92Å
158F98.7Very high97Very high1 Ų127.4 Ų27.40%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-101.8132.8167.8-60.5-71.4000109.3I156 V172 A175 I187 I188 L189 V190 F245 D246 A247 V249 F251I156-F158 HydrophobicContact CG2-CD2 4.19Å; I156-F158 HydrophobicContact CG2-CE1 4.2Å; I156-F158 HydrophobicContact CG2-CE2 3.57Å; I156-F158 HydrophobicContact CG2-CZ 3.56Å; F158-V172 HydrophobicContact CD2-CG2 4.47Å; F158-V172 HydrophobicContact CE2-CG2 4.38Å; F158-A175 HydrophobicContact CE2-CB 4.4Å; F158-A175 HydrophobicContact CZ-CB 4.13Å; F158-I187 HydrophobicContact CD2-CG2 3.77Å; F158-I187 HydrophobicContact CE2-CG2 3.74Å; F158-I188 PolarHBondContact N-O 3.46Å; F158-L189 HydrophobicContact CB-CD2 3.86Å; F158-L189 HydrophobicContact CD2-CD2 3.67Å; F158-L189 HydrophobicContact CG-CD2 4.2Å; F158-V190 PolarHBondContact O-N 2.83Å; F158-F245 WeakPolarHBondContact CA-O 3.17Å; F158-F245 HydrophobicContact CD1-CB 3.67Å; F158-F245 HydrophobicContact CE1-CB 3.55Å; F158-F245 HydrophobicContact CE1-CG 4.25Å; F158-D246 WeakPolarHBondContact CD1-O 3.42Å; F158-A247 HydrophobicContact CB-CB 4.34Å; F158-V249 HydrophobicContact CE1-CG2 3.79Å; F158-F251 AromaticContact CE1-CE2 3.87Å; F158-F251 HydrophobicContact CE1-CE2 3.87Å; F158-F251 HydrophobicContact CE1-CZ 4.03Å; F158-F251 AromaticContact CZ-CE2 3.58Å; F158-F251 HydrophobicContact CZ-CE2 3.58Å; F158-F251 AromaticContact CZ-CZ 3.9Å; F158-F251 HydrophobicContact CZ-CZ 3.9Å
159I96.7Very high97.2Very high17 Ų1724.3 Ų24.39%0.08712%0.121CC..EExtended strand (participates in β ladder)trans-107143169.958.6155.9000109.1I157 V190 L226 A229 R230 A247I157-I159 HydrophobicContact CG2-CG2 4.46Å; I159-V190 WeakPolarHBondContact CA-O 3.46Å; I159-V190 HydrophobicContact CG2-CB 4.08Å; I159-V190 HydrophobicContact CG2-CG2 4.41Å; I159-L226 HydrophobicContact CD1-CB 4.1Å; I159-L226 HydrophobicContact CD1-CD1 4.03Å; I159-L226 HydrophobicContact CD1-CG 3.56Å; I159-A229 HydrophobicContact CB-CB 4.24Å; I159-A229 HydrophobicContact CG2-CB 3.87Å; I159-R230 HydrophobicContact CD1-CG 4.06Å; I159-R230 HydrophobicContact CG1-CG 4.45Å; I159-R230 HydrophobicContact CG2-CG 3.84Å; I159-A247 WeakPolarHBondContact O-CB 3.41Å
160F96.6Very high97.3Very high9 Ų915.8 Ų15.84%0.0398%0.083CC..EExtended strand (participates in β ladder)trans-153.4160.6176.564.3-81.6000112.3E163 I168 L189 V190 D191 D192 L199 L203 A247F160-E163 HydrophobicContact CB-CB 3.85Å; F160-I168 HydrophobicContact CB-CD1 4.43Å; F160-I168 HydrophobicContact CD1-CD1 4.42Å; F160-I168 HydrophobicContact CD2-CD1 3.68Å; F160-I168 HydrophobicContact CE2-CD1 3.95Å; F160-I168 HydrophobicContact CG-CD1 3.92Å; F160-I168 HydrophobicContact CZ-CD1 4.44Å; F160-L189 HydrophobicContact CE1-CB 3.92Å; F160-V190 WeakPolarHBondContact CD1-O 3.49Å; F160-V190 PolarHBondContact N-O 3.13Å; F160-D191 HydrophobicContact CE1-CB 4.12Å; F160-D191 HydrophobicContact CE2-CB 3.79Å; F160-D191 HydrophobicContact CZ-CB 3.5Å; F160-D191 VanDerWaalsContact CZ-CB 3.5Å; F160-D192 WeakPolarHBondContact O-CB 3.22Å; F160-D192 PolarHBondContact O-N 2.8Å; F160-L199 HydrophobicContact CD2-CD1 4.2Å; F160-L199 HydrophobicContact CE2-CB 4.34Å; F160-L199 HydrophobicContact CE2-CD1 4.17Å; F160-L203 HydrophobicContact CE2-CD2 4.2Å; F160-L203 HydrophobicContact CZ-CD2 3.7Å; F160-A247 HydrophobicContact CB-CB 3.72Å
161V94.9Very high97.4Very high14 Ų149.7 Ų9.79%0.0855%0.051CC..SBendtrans-153.7120.2168.456.10000107.8E163 D192 S194 Y386V161-E163 PolarHBondContact O-N 2.79Å; V161-D192 HydrophobicContact CB-CB 4.27Å; V161-S194 WeakPolarHBondContact CA-OG 3.31Å; V161-Y386 HydrophobicContact CG1-CD1 4.13Å
162N94.6Very high97.4Very high45 Ų459.2 Ų9.224%0.2415%0.048CC..SBendtrans4847.7-177.3-63.2-5.4000112Y118 S194 D195 E196Y118-N162 WeakPolarHBondContact CE1-O 3.16Å; N162-S194 PolarHBondContact N-OG 2.82Å; N162-S194 WeakPolarHBondContact OD1-CA 3.4Å; N162-S194 VanDerWaalsContact OD1-CB 3.22Å; N162-S194 WeakPolarHBondContact OD1-CB 3.15Å; N162-D195 PolarHBondContact ND2-OD1 2.99Å; N162-D195 PolarHBondContact OD1-N 3.06Å; N162-D195 PolarHBondContact OD1-OD1 3.42Å; N162-E196 HydrophobicContact CB-CG 4.34Å
163E95.9Very high97.3Very high4 Ų48.5 Ų8.52%0.0194%0.044CC..  trans-95.3139.4175.8-174.474.2-87.100108.9Y120 F160 V161 L165 I168 L199 A247 H248 R381Y120-E163 PolarHBondContact OH-OE1 3.22Å; F160-E163 HydrophobicContact CB-CB 3.85Å; V161-E163 PolarHBondContact O-N 2.79Å; E163-L165 PolarHBondContact O-N 3.45Å; E163-I168 HydrophobicContact CB-CD1 3.97Å; E163-I168 HydrophobicContact CB-CG1 3.91Å; E163-I168 HydrophobicContact CG-CD1 4.35Å; E163-I168 HydrophobicContact CG-CG1 3.72Å; E163-L199 WeakPolarHBondContact O-CD1 3.41Å; E163-L199 WeakPolarHBondContact O-CD2 3.45Å; E163-A247 HydrophobicContact CG-CB 4.22Å; E163-H248 IonicContact OE2-CE1 2.78Å; E163-H248 IonicContact OE2-CG 3.58Å; E163-H248 IonicContact OE2-ND1 3.35Å; E163-H248 PolarHBondContact OE2-ND1 2.77Å; E163-R381 IonicContact OE1-CZ 3.42Å; E163-R381 IonicContact OE1-NH1 3.36Å; E163-R381 IonicContact OE1-NH2 3.28Å; E163-R381 PolarHBondContact OE1-NH2 3.02Å; E163-R381 IonicContact OE2-CZ 3.38Å; E163-R381 IonicContact OE2-NH2 3.65Å; E163-R381 PolarHBondContact OE2-NH2 3.43Å
164A96.1Very high97.3Very high4 Ų45.7 Ų5.73%0.0333%0.031CC..  trans-57.4129.2-178.700000111.3Y118 Y120 S166 V167 I168Y118-A164 HydrophobicContact CD1-CB 4.28Å; Y118-A164 HydrophobicContact CD2-CB 4.29Å; Y118-A164 HydrophobicContact CE1-CB 4.07Å; Y118-A164 HydrophobicContact CE2-CB 4.08Å; Y118-A164 HydrophobicContact CG-CB 4.4Å; Y120-A164 HydrophobicContact CE2-CB 4.24Å; Y120-A164 WeakPolarHBondContact OH-CB 3.29Å; Y120-A164 PolarHBondContact OH-N 2.81Å; A164-S166 PolarHBondContact O-N 3.49Å; A164-S166 VanDerWaalsContact O-N 3.16Å; A164-V167 HydrophobicContact CB-CB 4.5Å; A164-V167 HydrophobicContact CB-CG2 4.34Å; A164-V167 PolarHBondContact O-N 2.85Å; A164-I168 PolarHBondContact O-N 2.7Å
165L96.9Very high97.3Very high8 Ų85.7 Ų5.74%0.0423%0.031CC..Hα-helixtrans-53-41.3-177178.161.3000112.6L85 E163 V167 I168 L169 E198 L199 L203L85-L165 HydrophobicContact CD1-CD2 4.16Å; L85-L165 HydrophobicContact CD2-CD2 4.23Å; E163-L165 PolarHBondContact O-N 3.45Å; L165-V167 PolarHBondContact O-N 3.1Å; L165-I168 PolarHBondContact O-N 3.39Å; L165-L169 HydrophobicContact CD1-CD1 3.88Å; L165-L169 HydrophobicContact CD1-CG 3.95Å; L165-L169 HydrophobicContact CG-CD1 4Å; L165-L169 HydrophobicContact CG-CG 4.4Å; L165-L169 WeakPolarHBondContact O-CG 3.38Å; L165-L169 PolarHBondContact O-N 3.25Å; L165-E198 HydrophobicContact CB-CG 4.22Å; L165-E198 HydrophobicContact CD2-CB 4.17Å; L165-E198 PolarHBondContact N-OE1 3.06Å; L165-L199 HydrophobicContact CB-CD2 4.17Å; L165-L199 HydrophobicContact CD1-CD2 4.23Å; L165-L203 HydrophobicContact CD1-CB 4.04Å; L165-L203 HydrophobicContact CD1-CD1 3.71Å; L165-L203 HydrophobicContact CD1-CG 4.4Å
166S96.7Very high97.2Very high3 Ų37 Ų72%0.0214%0.04CC..Hα-helixtrans-59.3-32.4178.967.30000113.3S125 L130 A164 R170S125-S166 VanDerWaalsContact CB-OG 3.31Å; S125-S166 WeakPolarHBondContact CB-OG 3.3Å; S125-S166 PolarHBondContact OG-OG 3.24Å; L130-S166 WeakPolarHBondContact CD2-O 3.38Å; A164-S166 PolarHBondContact O-N 3.49Å; A164-S166 VanDerWaalsContact O-N 3.16Å; S166-R170 VanDerWaalsContact O-CB 3.25Å; S166-R170 WeakPolarHBondContact O-CB 3.25Å; S166-R170 PolarHBondContact O-N 3.39Å; S166-R170 VanDerWaalsContact O-N 3.11Å
167V97.3Very high97Very high1 Ų19.9 Ų9.91%0.0066%0.055CC..Hα-helixtrans-84.3-37.6-177.7174.10000111.5Y120 S125 A164 L165 R170 S171 A247 H248 F283 I379Y120-V167 HydrophobicContact CD2-CG2 4.43Å; Y120-V167 HydrophobicContact CE2-CB 4.49Å; Y120-V167 HydrophobicContact CE2-CG2 3.57Å; S125-V167 WeakPolarHBondContact OG-CG2 3.21Å; A164-V167 HydrophobicContact CB-CB 4.5Å; A164-V167 HydrophobicContact CB-CG2 4.34Å; A164-V167 PolarHBondContact O-N 2.85Å; L165-V167 PolarHBondContact O-N 3.1Å; V167-R170 PolarHBondContact O-N 3Å; V167-S171 PolarHBondContact O-N 3.25Å; V167-S171 PolarHBondContact O-OG 2.52Å; V167-A247 CarbonylContact C-O 3.47Å; V167-H248 VanDerWaalsContact CG1-CA 3.46Å; V167-H248 HydrophobicContact CG1-CB 3.34Å; V167-F283 HydrophobicContact CG2-CZ 4.31Å; V167-I379 HydrophobicContact CG1-CD1 3.76Å; V167-I379 HydrophobicContact CG2-CD1 4.23Å
168I98.1Very high96.9Very high1 Ų112.3 Ų12.31%0.0057%0.066CC..Hα-helixtrans-58.6-52.2170.6-59174.8000109.5F160 E163 A164 L165 R170 S171 V172 L189 L199 L203 A247F160-I168 HydrophobicContact CB-CD1 4.43Å; F160-I168 HydrophobicContact CD1-CD1 4.42Å; F160-I168 HydrophobicContact CD2-CD1 3.68Å; F160-I168 HydrophobicContact CE2-CD1 3.95Å; F160-I168 HydrophobicContact CG-CD1 3.92Å; F160-I168 HydrophobicContact CZ-CD1 4.44Å; E163-I168 HydrophobicContact CB-CD1 3.97Å; E163-I168 HydrophobicContact CB-CG1 3.91Å; E163-I168 HydrophobicContact CG-CD1 4.35Å; E163-I168 HydrophobicContact CG-CG1 3.72Å; A164-I168 PolarHBondContact O-N 2.7Å; L165-I168 PolarHBondContact O-N 3.39Å; I168-R170 VanDerWaalsContact C-N 3.32Å; I168-R170 PolarHBondContact O-N 3.49Å; I168-S171 WeakPolarHBondContact O-CB 3.13Å; I168-S171 PolarHBondContact O-N 2.94Å; I168-S171 VanDerWaalsContact O-N 3.1Å; I168-V172 WeakPolarHBondContact O-CG2 3.2Å; I168-V172 PolarHBondContact O-N 2.86Å; I168-L189 HydrophobicContact CG2-CD1 4.35Å; I168-L189 HydrophobicContact CG2-CD2 4.32Å; I168-L199 HydrophobicContact CD1-CD2 3.53Å; I168-L203 HydrophobicContact CG2-CD1 4.39Å; I168-A247 HydrophobicContact CG1-CB 4.25Å
169L97.6Very high96.9Very high0 Ų012.5 Ų12.50%07%0.067CC..Hα-helixtrans-65.6-35-177.5-67-178.4000112.1L85 L87 L130 L165 S171 V172 H173 L203 Y206 V207L85-L169 HydrophobicContact CD1-CD1 4.42Å; L87-L169 HydrophobicContact CD1-CD1 3.54Å; L130-L169 HydrophobicContact CD1-CB 4.04Å; L130-L169 HydrophobicContact CD2-CB 4.18Å; L165-L169 HydrophobicContact CD1-CD1 3.88Å; L165-L169 HydrophobicContact CD1-CG 3.95Å; L165-L169 HydrophobicContact CG-CD1 4Å; L165-L169 HydrophobicContact CG-CG 4.4Å; L165-L169 WeakPolarHBondContact O-CG 3.38Å; L165-L169 PolarHBondContact O-N 3.25Å; L169-S171 VanDerWaalsContact C-N 3.32Å; L169-S171 PolarHBondContact O-N 2.87Å; L169-V172 PolarHBondContact O-N 3.22Å; L169-H173 WeakPolarHBondContact O-CB 3.38Å; L169-H173 PolarHBondContact O-CD2 2.97Å; L169-H173 PolarHBondContact O-N 2.92Å; L169-L203 HydrophobicContact CD2-CD1 3.83Å; L169-Y206 HydrophobicContact CD1-CD1 3.71Å; L169-Y206 HydrophobicContact CD1-CD2 4.26Å; L169-Y206 HydrophobicContact CD1-CE1 3.74Å; L169-Y206 HydrophobicContact CD1-CE2 4.27Å; L169-Y206 HydrophobicContact CD1-CG 3.97Å; L169-Y206 HydrophobicContact CD2-CD1 3.41Å; L169-Y206 VanDerWaalsContact CD2-CD1 3.41Å; L169-Y206 HydrophobicContact CD2-CE1 3.62Å; L169-Y206 HydrophobicContact CD2-CG 4.31Å; L169-Y206 HydrophobicContact CG-CD1 4.19Å; L169-Y206 HydrophobicContact CG-CE1 4.17Å; L169-V207 HydrophobicContact CD2-CG1 3.96Å
170R96.8Very high96.9Very high3 Ų313.2 Ų13.21%0.0117%0.073CC..Hα-helixtrans-59.9-41.3171.6178.8-178.1-51.5-62.9-8112.3S125 I128 S129 L130 S166 V167 I168 S174 E250S125-R170 PolarHBondContact O-NH2 2.92Å; S125-R170 PolarHBondContact OG-NE 3.25Å; S125-R170 PolarHBondContact OG-NH2 2.67Å; S125-R170 VanDerWaalsContact OG-NH2 3.09Å; I128-R170 PolarHBondContact O-NH2 3.43Å; S129-R170 PolarHBondContact O-NH1 3.18Å; L130-R170 HydrophobicContact CD2-CB 4.14Å; S166-R170 VanDerWaalsContact O-CB 3.25Å; S166-R170 WeakPolarHBondContact O-CB 3.25Å; S166-R170 PolarHBondContact O-N 3.39Å; S166-R170 VanDerWaalsContact O-N 3.11Å; V167-R170 PolarHBondContact O-N 3Å; I168-R170 VanDerWaalsContact C-N 3.32Å; I168-R170 PolarHBondContact O-N 3.49Å; R170-S174 WeakPolarHBondContact O-CB 3.23Å; R170-S174 PolarHBondContact O-N 3.01Å; R170-S174 PolarHBondContact O-OG 2.83Å; R170-E250 WeakPolarHBondContact CD-OE1 3.33Å; R170-E250 HydrophobicContact CG-CG 3.61Å
171S98.3Very high96.8Very high1 Ų118.9 Ų18.91%0.00711%0.108CC..Hα-helixtrans-63.7-42.5175.1-540000111.5V167 I168 L169 S174 A175 A247 V249V167-S171 PolarHBondContact O-N 3.25Å; V167-S171 PolarHBondContact O-OG 2.52Å; I168-S171 WeakPolarHBondContact O-CB 3.13Å; I168-S171 PolarHBondContact O-N 2.94Å; I168-S171 VanDerWaalsContact O-N 3.1Å; L169-S171 VanDerWaalsContact C-N 3.32Å; L169-S171 PolarHBondContact O-N 2.87Å; S171-S174 PolarHBondContact O-OG 2.66Å; S171-A175 VanDerWaalsContact O-CB 3.25Å; S171-A175 WeakPolarHBondContact O-CB 3.49Å; S171-A175 PolarHBondContact O-N 2.75Å; S171-A247 PolarHBondContact OG-O 2.63Å; S171-V249 VanDerWaalsContact CA-O 3.23Å; S171-V249 WeakPolarHBondContact CA-O 3.21Å; S171-V249 WeakPolarHBondContact CB-O 3.39Å; S171-V249 PolarHBondContact OG-N 2.71Å; S171-V249 PolarHBondContact OG-O 3.44Å
172V98.1Very high96.9Very high0 Ų022.7 Ų22.70%013%0.125CC..Hα-helixtrans-64.8-49.51761760000111.5F158 I168 L169 S174 A175 V176 I187 L189 Y211 V215F158-V172 HydrophobicContact CD2-CG2 4.47Å; F158-V172 HydrophobicContact CE2-CG2 4.38Å; I168-V172 WeakPolarHBondContact O-CG2 3.2Å; I168-V172 PolarHBondContact O-N 2.86Å; L169-V172 PolarHBondContact O-N 3.22Å; V172-S174 PolarHBondContact O-N 2.59Å; V172-A175 PolarHBondContact O-N 2.77Å; V172-V176 HydrophobicContact CG1-CG2 4.49Å; V172-V176 WeakPolarHBondContact O-CG2 3.27Å; V172-V176 PolarHBondContact O-N 2.77Å; V172-I187 HydrophobicContact CG1-CD1 4.2Å; V172-I187 HydrophobicContact CG2-CG2 4.47Å; V172-L189 HydrophobicContact CG2-CD1 4.25Å; V172-L189 HydrophobicContact CG2-CD2 3.81Å; V172-Y211 HydrophobicContact CG1-CD2 4.04Å; V172-Y211 HydrophobicContact CG1-CE2 3.76Å; V172-V215 HydrophobicContact CG1-CG2 4.01Å
173H97.1Very high97.1Very high0 Ų020.7 Ų20.70%011%0.114CC..Hα-helixtrans-58.9-49.9179.8-87.6-113.8000111.2E89 L130 D131 L169 A175 V176 N177 Y206 Y211E89-H173 IonicContact OE2-CE1 3.86Å; L130-H173 HydrophobicContact CB-CB 4.25Å; L130-H173 WeakPolarHBondContact O-CB 3.27Å; D131-H173 IonicContact OD1-CE1 2.9Å; D131-H173 IonicContact OD1-CG 2.89Å; D131-H173 IonicContact OD1-ND1 2.95Å; D131-H173 PolarHBondContact OD1-ND1 2.88Å; D131-H173 IonicContact OD2-ND1 3.31Å; L169-H173 WeakPolarHBondContact O-CB 3.38Å; L169-H173 PolarHBondContact O-CD2 2.97Å; L169-H173 PolarHBondContact O-N 2.92Å; H173-A175 VanDerWaalsContact C-N 3.34Å; H173-A175 PolarHBondContact O-N 3.47Å; H173-V176 PolarHBondContact O-N 3.2Å; H173-N177 VanDerWaalsContact O-CB 3.23Å; H173-N177 WeakPolarHBondContact O-CB 3.38Å; H173-N177 PolarHBondContact O-N 2.84Å; H173-N177 PolarHBondContact O-ND2 2.83Å; H173-Y206 PolarHBondContact CE1-OH 2.74Å; H173-Y206 AromaticContact NE2-CE1 3.67Å; H173-Y206 AromaticContact NE2-CZ 3.62Å; H173-Y206 PolarHBondContact NE2-OH 3.02Å; H173-Y211 PolarHBondContact CD2-OH 2.7Å; H173-Y211 VanDerWaalsContact CD2-OH 3.32Å; H173-Y211 PolarHBondContact CE1-OH 2.81Å; H173-Y211 PolarHBondContact ND1-OH 2.8Å; H173-Y211 PolarHBondContact NE2-OH 3.44Å
174S97.5Very high97.2Very high7 Ų721.1 Ų21.15%0.04912%0.117CC..Hα-helixtrans-64.3-37.4178.9610000112.4R170 S171 V172 N177 H178 E250 F251R170-S174 WeakPolarHBondContact O-CB 3.23Å; R170-S174 PolarHBondContact O-N 3.01Å; R170-S174 PolarHBondContact O-OG 2.83Å; S171-S174 PolarHBondContact O-OG 2.66Å; V172-S174 PolarHBondContact O-N 2.59Å; S174-N177 PolarHBondContact O-N 2.81Å; S174-H178 WeakPolarHBondContact O-CB 3.48Å; S174-H178 PolarHBondContact O-CD2 3.27Å; S174-H178 PolarHBondContact O-N 3.45Å; S174-E250 WeakPolarHBondContact OG-CA 3.46Å; S174-F251 PolarHBondContact OG-N 2.9Å
175A98.1Very high97.3Very high0 Ų025.2 Ų25.20%013%0.134CC..Hα-helixtrans-61.7-45.3174.400000112.3I156 F158 S171 V172 H173 T179 I187 F251I156-A175 HydrophobicContact CD1-CB 3.97Å; F158-A175 HydrophobicContact CE2-CB 4.4Å; F158-A175 HydrophobicContact CZ-CB 4.13Å; S171-A175 VanDerWaalsContact O-CB 3.25Å; S171-A175 WeakPolarHBondContact O-CB 3.49Å; S171-A175 PolarHBondContact O-N 2.75Å; V172-A175 PolarHBondContact O-N 2.77Å; H173-A175 VanDerWaalsContact C-N 3.34Å; H173-A175 PolarHBondContact O-N 3.47Å; A175-T179 WeakPolarHBondContact O-CB 3.29Å; A175-T179 PolarHBondContact O-N 2.87Å; A175-T179 VanDerWaalsContact O-N 3.15Å; A175-T179 PolarHBondContact O-OG1 3.46Å; A175-I187 HydrophobicContact CB-CD1 4.07Å; A175-F251 HydrophobicContact CB-CD2 3.69Å; A175-F251 HydrophobicContact CB-CE2 3.7Å; A175-F251 HydrophobicContact CB-CG 4.4Å; A175-F251 HydrophobicContact CB-CZ 4.33Å
176V97Very high97.4Very high29 Ų2924.9 Ų24.918%0.17613%0.132CC..Hα-helixtrans-67.1-46177.1175.50000111.1V172 H173 H178 L184 I187 Y211 L214V172-V176 HydrophobicContact CG1-CG2 4.49Å; V172-V176 WeakPolarHBondContact O-CG2 3.27Å; V172-V176 PolarHBondContact O-N 2.77Å; H173-V176 PolarHBondContact O-N 3.2Å; V176-H178 VanDerWaalsContact C-N 3.3Å; V176-H178 PolarHBondContact O-N 2.83Å; V176-L184 HydrophobicContact CG2-CD2 4.26Å; V176-I187 HydrophobicContact CG2-CD1 3.52Å; V176-Y211 HydrophobicContact CB-CE1 4.17Å; V176-Y211 HydrophobicContact CG1-CD1 4.37Å; V176-Y211 HydrophobicContact CG1-CE1 3.83Å; V176-Y211 HydrophobicContact CG2-CD1 4.23Å; V176-Y211 HydrophobicContact CG2-CE1 3.95Å; V176-L214 HydrophobicContact CG2-CD2 4.01Å
177N95.3Very high97.5Very high59 Ų5924.8 Ų24.832%0.31613%0.131SC..Hα-helixtrans-68.3-27.9-175.3-69.7-16.4000112.9D131 H173 S174D131-N177 PolarHBondContact OD1-ND2 3.38Å; H173-N177 VanDerWaalsContact O-CB 3.23Å; H173-N177 WeakPolarHBondContact O-CB 3.38Å; H173-N177 PolarHBondContact O-N 2.84Å; H173-N177 PolarHBondContact O-ND2 2.83Å; S174-N177 PolarHBondContact O-N 2.81Å
178H96.7Very high97.5Very high52 Ų5224.7 Ų24.724%0.24113%0.131CC..Hα-helixtrans-113.56.6-174.5-64.4-53.3000115.1S174 V176 F251 W255S174-H178 WeakPolarHBondContact O-CB 3.48Å; S174-H178 PolarHBondContact O-CD2 3.27Å; S174-H178 PolarHBondContact O-N 3.45Å; V176-H178 VanDerWaalsContact C-N 3.3Å; V176-H178 PolarHBondContact O-N 2.83Å; H178-F251 HydrophobicContact CB-CB 4.19Å; H178-F251 PolarHBondContact CD2-O 3.1Å; H178-W255 VanDerWaalsContact O-CD1 3.29Å; H178-W255 PolarHBondContact O-NE1 3.36Å
179T97.8Very high97.6Very high6 Ų624.7 Ų24.74%0.03713%0.131CC..SBendtrans-111.8124.5171.4-49.40000109.6I154 A175 T181 L184 W255 A256I154-T179 HydrophobicContact CG2-CG2 4.31Å; A175-T179 WeakPolarHBondContact O-CB 3.29Å; A175-T179 PolarHBondContact O-N 2.87Å; A175-T179 VanDerWaalsContact O-N 3.15Å; A175-T179 PolarHBondContact O-OG1 3.46Å; T179-T181 PolarHBondContact O-N 3.42Å; T179-L184 HydrophobicContact CG2-CB 3.81Å; T179-L184 HydrophobicContact CG2-CD1 4.34Å; T179-W255 WeakPolarHBondContact OG1-CZ2 3.42Å; T179-W255 PolarHBondContact OG1-NE1 2.99Å; T179-W255 VanDerWaalsContact OG1-NE1 3.12Å; T179-A256 HydrophobicContact CG2-CB 4.02Å
180P96.6Very high97.6Very high32 Ų3224.7 Ų24.721%0.20813%0.131CC..  trans-54.8133.4176.6-25.734.1000111.9H182 L183 L184 E257P180-H182 VanDerWaalsContact C-N 3.27Å; P180-H182 VanDerWaalsContact CB-CE1 3.45Å; P180-H182 WeakPolarHBondContact CB-CE1 3.31Å; P180-H182 PolarHBondContact O-N 3.35Å; P180-L183 HydrophobicContact CB-CB 4.46Å; P180-L183 HydrophobicContact CB-CD1 4.09Å; P180-L183 HydrophobicContact CB-CG 4.13Å; P180-L183 HydrophobicContact CG-CD1 4Å; P180-L183 WeakPolarHBondContact O-CA 3.34Å; P180-L183 WeakPolarHBondContact O-CB 3.3Å; P180-L183 PolarHBondContact O-N 2.76Å; P180-L184 PolarHBondContact O-N 2.84Å; P180-E257 HydrophobicContact CG-CG 4.32Å; P180-E257 VanDerWaalsContact CG-OE1 3.3Å; P180-E257 WeakPolarHBondContact CG-OE1 3.23Å
181T95.6Very high97.7Very high127 Ų12724.8 Ų24.878%0.77913%0.131SC*.THydrogen-bonded Turntrans-58-35-171.952.10000114T179 L183T179-T181 PolarHBondContact O-N 3.42Å; T181-L183 PolarHBondContact O-N 3.23Å
182H96.5Very high97.6Very high95 Ų9525 Ų2544%0.4413%0.133SC..THydrogen-bonded Turntrans-71.7-17.5176.664.2-76.2000113.4Q153 P180Q153-H182 PolarHBondContact NE2-O 3.09Å; P180-H182 VanDerWaalsContact C-N 3.27Å; P180-H182 VanDerWaalsContact CB-CE1 3.45Å; P180-H182 WeakPolarHBondContact CB-CE1 3.31Å; P180-H182 PolarHBondContact O-N 3.35Å
183L98.3Very high97.5Very high2 Ų228.7 Ų28.71%0.0115%0.152CC..THydrogen-bonded Turntrans-98.1-28.1178.1-56.8-177.4000112.5L151 Q153 I154 P180 T181 K185 E257 L260L151-L183 HydrophobicContact CB-CD1 4.42Å; L151-L183 HydrophobicContact CB-CD2 3.7Å; L151-L183 HydrophobicContact CD1-CD1 4.18Å; Q153-L183 CarbonylContact C-O 3.36Å; Q153-L183 WeakPolarHBondContact CA-O 3.45Å; Q153-L183 WeakPolarHBondContact CB-O 3.14Å; I154-L183 PolarHBondContact N-O 3.3Å; P180-L183 HydrophobicContact CB-CB 4.46Å; P180-L183 HydrophobicContact CB-CD1 4.09Å; P180-L183 HydrophobicContact CB-CG 4.13Å; P180-L183 HydrophobicContact CG-CD1 4Å; P180-L183 WeakPolarHBondContact O-CA 3.34Å; P180-L183 WeakPolarHBondContact O-CB 3.3Å; P180-L183 PolarHBondContact O-N 2.76Å; T181-L183 PolarHBondContact O-N 3.23Å; L183-K185 PolarHBondContact O-N 3.46Å; L183-E257 HydrophobicContact CD1-CG 4.04Å; L183-L260 HydrophobicContact CB-CD1 4.08Å; L183-L260 HydrophobicContact CD1-CD1 3.94Å; L183-L260 HydrophobicContact CG-CD1 4.42Å
184L98.5Very high97.5Very high13 Ų1329.1 Ų29.17%0.06816%0.155CC..EExtended strand (participates in β ladder)trans-78.9108.2178.2-175.859.3000110.7I154 I156 V176 T179 P180 I187 L214I154-L184 HydrophobicContact CG2-CD1 4.45Å; I156-L184 HydrophobicContact CD1-CD1 3.62Å; I156-L184 HydrophobicContact CG1-CD1 3.93Å; V176-L184 HydrophobicContact CG2-CD2 4.26Å; T179-L184 HydrophobicContact CG2-CB 3.81Å; T179-L184 HydrophobicContact CG2-CD1 4.34Å; P180-L184 PolarHBondContact O-N 2.84Å; L184-I187 HydrophobicContact CD1-CG1 4.11Å; L184-I187 HydrophobicContact CD2-CD1 4.21Å; L184-I187 HydrophobicContact CD2-CG1 4.32Å; L184-L214 HydrophobicContact CD2-CD1 4.18Å; L184-L214 HydrophobicContact CD2-CD2 4.18Å; L184-L214 HydrophobicContact CG-CD1 4.16Å
185K98.6Very high97.3Very high90 Ų9034.1 Ų34.139%0.39118%0.181SC..EExtended strand (participates in β ladder)trans-74-51.9178.2-179.761.2-176175.60111.9Q153 I154 L183 T238Q153-K185 HydrophobicContact CB-CB 3.98Å; Q153-K185 VanDerWaalsContact OE1-CD 3.31Å; I154-K185 WeakPolarHBondContact O-CB 3.33Å; I154-K185 PolarHBondContact O-N 3.31Å; L183-K185 PolarHBondContact O-N 3.46Å; K185-T238 WeakPolarHBondContact CE-OG1 3.47Å
186E98.6Very high97.1Very high2 Ų235.3 Ų35.31%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-169161.2-17466.3-159.2148.300110.1S155 I156 I188 L214 K216 A237 T238S155-E186 WeakPolarHBondContact CA-O 3.35Å; S155-E186 WeakPolarHBondContact OG-CG 3.33Å; S155-E186 PolarHBondContact OG-OE1 3.42Å; I156-E186 PolarHBondContact N-O 3.01Å; E186-I188 HydrophobicContact CG-CD1 4.06Å; E186-I188 HydrophobicContact CG-CG1 4.18Å; E186-L214 CarbonylContact C-O 3.51Å; E186-L214 WeakPolarHBondContact CA-O 3.22Å; E186-K216 WeakPolarHBondContact OE2-CE 3.34Å; E186-K216 IonicContact OE2-NZ 3.37Å; E186-K216 PolarHBondContact OE2-NZ 3.34Å; E186-A237 WeakPolarHBondContact OE1-CA 3.13Å; E186-T238 PolarHBondContact OE1-N 3.18Å; E186-T238 PolarHBondContact OE1-OG1 3.02Å; E186-T238 PolarHBondContact OE2-OG1 2.97Å
187I98.8Very high97Very high0 Ų040 Ų400%021%0.207CC..EExtended strand (participates in β ladder)trans-117.5131.3168.7-60.8178.1000107.8I156 F158 V172 A175 V176 L184 L189 L214 V215 K216I156-I187 HydrophobicContact CB-CG1 4.31Å; I156-I187 CarbonylContact O-C 2.91Å; I156-I187 WeakPolarHBondContact O-CA 3.41Å; F158-I187 HydrophobicContact CD2-CG2 3.77Å; F158-I187 HydrophobicContact CE2-CG2 3.74Å; V172-I187 HydrophobicContact CG1-CD1 4.2Å; V172-I187 HydrophobicContact CG2-CG2 4.47Å; A175-I187 HydrophobicContact CB-CD1 4.07Å; V176-I187 HydrophobicContact CG2-CD1 3.52Å; L184-I187 HydrophobicContact CD1-CG1 4.11Å; L184-I187 HydrophobicContact CD2-CD1 4.21Å; L184-I187 HydrophobicContact CD2-CG1 4.32Å; I187-L189 HydrophobicContact CG2-CD2 4.24Å; I187-L214 PolarHBondContact N-O 3.35Å; I187-V215 HydrophobicContact CB-CG2 4.12Å; I187-V215 HydrophobicContact CD1-CG2 4.44Å; I187-V215 HydrophobicContact CG2-CG1 4.41Å; I187-V215 CarbonylContact O-C 3.09Å; I187-V215 WeakPolarHBondContact O-CA 3.39Å; I187-K216 PolarHBondContact O-N 2.77Å
188I98.8Very high96.9Very high0 Ų040.6 Ų40.60%021%0.208CC..EExtended strand (participates in β ladder)trans-117.4117.3-178.9-63.2152.1000108I156 I157 F158 E186 V190 K216 V218 V236 A237I156-I188 PolarHBondContact O-N 2.67Å; I157-I188 WeakPolarHBondContact CA-O 3.17Å; I157-I188 HydrophobicContact CG1-CB 4.22Å; I157-I188 HydrophobicContact CG1-CD1 4.03Å; F158-I188 PolarHBondContact N-O 3.46Å; E186-I188 HydrophobicContact CG-CD1 4.06Å; E186-I188 HydrophobicContact CG-CG1 4.18Å; I188-V190 HydrophobicContact CG2-CG2 3.86Å; I188-K216 WeakPolarHBondContact CA-O 3.45Å; I188-V218 HydrophobicContact CG2-CG2 3.9Å; I188-V236 HydrophobicContact CD1-CG2 3.85Å; I188-V236 HydrophobicContact CG1-CG2 4.15Å; I188-V236 HydrophobicContact CG2-CG2 3.81Å; I188-A237 HydrophobicContact CD1-CB 3.71Å
189L98.7Very high96.9Very high0 Ų038.1 Ų38.10%020%0.196CC..EExtended strand (participates in β ladder)trans-96.7106.6174.1-62.3-172.7000108.1F158 F160 I168 V172 I187 L203 V207 V215 K216 V217 V218F158-L189 HydrophobicContact CB-CD2 3.86Å; F158-L189 HydrophobicContact CD2-CD2 3.67Å; F158-L189 HydrophobicContact CG-CD2 4.2Å; F160-L189 HydrophobicContact CE1-CB 3.92Å; I168-L189 HydrophobicContact CG2-CD1 4.35Å; I168-L189 HydrophobicContact CG2-CD2 4.32Å; V172-L189 HydrophobicContact CG2-CD1 4.25Å; V172-L189 HydrophobicContact CG2-CD2 3.81Å; I187-L189 HydrophobicContact CG2-CD2 4.24Å; L189-L203 HydrophobicContact CD1-CD1 4.11Å; L189-L203 HydrophobicContact CD1-CD2 4.46Å; L189-V207 HydrophobicContact CD1-CG1 4.08Å; L189-V215 HydrophobicContact CD1-CG1 3.85Å; L189-V215 HydrophobicContact CG-CG1 3.94Å; L189-K216 PolarHBondContact N-O 2.99Å; L189-V217 HydrophobicContact CB-CG2 4.36Å; L189-V217 HydrophobicContact CD1-CG2 4.44Å; L189-V217 CarbonylContact O-C 3.58Å; L189-V217 WeakPolarHBondContact O-CA 3.35Å; L189-V218 PolarHBondContact O-N 3.41Å
190V98.5Very high96.8Very high0 Ų041.1 Ų41.10%021%0.209CC..EExtended strand (participates in β ladder)trans-95.6106.1176.8-171.80000109.4I157 F158 I159 F160 I188 V218 A229 E232I157-V190 HydrophobicContact CG2-CG2 4.02Å; F158-V190 PolarHBondContact O-N 2.83Å; I159-V190 WeakPolarHBondContact CA-O 3.46Å; I159-V190 HydrophobicContact CG2-CB 4.08Å; I159-V190 HydrophobicContact CG2-CG2 4.41Å; F160-V190 WeakPolarHBondContact CD1-O 3.49Å; F160-V190 PolarHBondContact N-O 3.13Å; I188-V190 HydrophobicContact CG2-CG2 3.86Å; V190-V218 CarbonylContact C-O 3.26Å; V190-V218 WeakPolarHBondContact CA-O 3.48Å; V190-V218 HydrophobicContact CG2-CB 4.44Å; V190-A229 HydrophobicContact CG1-CB 4.1Å; V190-E232 HydrophobicContact CG1-CB 4.48Å
191D98.1Very high96.7Very high5 Ų543.7 Ų43.73%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-81.4111.1170.7-17813000109.9F160 N193 S194 V218 R219 N220F160-D191 HydrophobicContact CE1-CB 4.12Å; F160-D191 HydrophobicContact CE2-CB 3.79Å; F160-D191 HydrophobicContact CZ-CB 3.5Å; F160-D191 VanDerWaalsContact CZ-CB 3.5Å; D191-N193 PolarHBondContact O-N 3.2Å; D191-N193 PolarHBondContact OD1-N 2.8Å; D191-S194 WeakPolarHBondContact OD1-CB 3.36Å; D191-S194 PolarHBondContact OD1-N 3.31Å; D191-S194 PolarHBondContact OD1-OG 2.83Å; D191-V218 PolarHBondContact N-O 3.45Å; D191-R219 HydrophobicContact CB-CG 4.1Å; D191-R219 IonicContact OD2-CZ 2.67Å; D191-R219 IonicContact OD2-NH1 2.68Å; D191-R219 PolarHBondContact OD2-NH1 2.81Å; D191-N220 PolarHBondContact O-N 3.38Å
192D96.3Very high96.6Very high6 Ų639.7 Ų39.73%0.03220%0.2CC..  trans-83.149.1177.3-168.433.9000111.5F160 V161 N220 R223 E224 G225 A229F160-D192 WeakPolarHBondContact O-CB 3.22Å; F160-D192 PolarHBondContact O-N 2.8Å; V161-D192 HydrophobicContact CB-CB 4.27Å; D192-N220 PolarHBondContact OD1-ND2 3.29Å; D192-R223 WeakPolarHBondContact O-CD 3.32Å; D192-R223 WeakPolarHBondContact OD2-CD 3.29Å; D192-R223 IonicContact OD2-CZ 2.76Å; D192-R223 IonicContact OD2-NE 2.84Å; D192-R223 PolarHBondContact OD2-NE 3.49Å; D192-E224 WeakPolarHBondContact OD1-CA 3.2Å; D192-E224 WeakPolarHBondContact OD1-CB 3.43Å; D192-E224 PolarHBondContact OD1-N 2.86Å; D192-G225 PolarHBondContact OD1-N 2.92Å; D192-G225 VanDerWaalsContact OD2-CA 3.23Å; D192-G225 WeakPolarHBondContact OD2-CA 3.47Å; D192-G225 PolarHBondContact OD2-N 3.27Å; D192-A229 HydrophobicContact CB-CB 4.15Å
193N96.1Very high96.6Very high78 Ų7835.2 Ų35.242%0.41718%0.179SC..  trans64.659.3178.1-171.270.3000114.2D191 K222D191-N193 PolarHBondContact O-N 3.2Å; D191-N193 PolarHBondContact OD1-N 2.8Å; N193-K222 VanDerWaalsContact CB-C 3.46Å
194S96.4Very high96.4Very high9 Ų938 Ų386%0.06319%0.192CC..  trans-66.8145.2172.7-57.70000112.7V161 N162 D191V161-S194 WeakPolarHBondContact CA-OG 3.31Å; N162-S194 PolarHBondContact N-OG 2.82Å; N162-S194 WeakPolarHBondContact OD1-CA 3.4Å; N162-S194 VanDerWaalsContact OD1-CB 3.22Å; N162-S194 WeakPolarHBondContact OD1-CB 3.15Å; D191-S194 WeakPolarHBondContact OD1-CB 3.36Å; D191-S194 PolarHBondContact OD1-N 3.31Å; D191-S194 PolarHBondContact OD1-OG 2.83Å
195D94.9Very high96.1Very high111 Ų11141.7 Ų41.759%0.59421%0.209SC*.  trans-96.7-13.6175.961.6-4.3000113.3N162 E197N162-D195 PolarHBondContact ND2-OD1 2.99Å; N162-D195 PolarHBondContact OD1-N 3.06Å; N162-D195 PolarHBondContact OD1-OD1 3.42Å; D195-E197 PolarHBondContact O-N 2.67Å
196E93.5Very high95.9Very high25 Ų2537.5 Ų37.512%0.11719%0.191CC..  trans-71.6123.6-179.2-58.5-171.6-169.100112.5K117 Y118 N162 E198 L199K117-E196 WeakPolarHBondContact CE-OE1 3.49Å; K117-E196 IonicContact NZ-OE1 3.35Å; K117-E196 PolarHBondContact NZ-OE1 2.85Å; K117-E196 IonicContact NZ-OE2 3.94Å; K117-E196 PolarHBondContact NZ-OE2 2.85Å; Y118-E196 PolarHBondContact OH-OE1 2.99Å; Y118-E196 PolarHBondContact OH-OE2 3.12Å; N162-E196 HydrophobicContact CB-CG 4.34Å; E196-E198 VanDerWaalsContact C-N 3.27Å; E196-E198 HydrophobicContact CB-CG 4.35Å; E196-E198 PolarHBondContact O-N 3.15Å; E196-L199 HydrophobicContact CB-CD1 4.11Å; E196-L199 HydrophobicContact CB-CG 4.11Å; E196-L199 WeakPolarHBondContact O-CB 3.42Å; E196-L199 PolarHBondContact O-N 2.86Å; E196-L199 VanDerWaalsContact O-N 3.08Å
197E94.8Very high95.7Very high129 Ų12937.4 Ų37.460%0.60319%0.191SC*.G310 helixtrans-60.4-33.1-176.9-68.9-57.6133.800113.5D195 L199 K200 P202D195-E197 PolarHBondContact O-N 2.67Å; E197-L199 PolarHBondContact O-N 3.17Å; E197-K200 PolarHBondContact O-N 3.4Å; E197-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 IonicContact OE1-NZ 2.64Å; E197-K200 PolarHBondContact OE1-NZ 2.88Å; E197-K200 IonicContact OE2-NZ 3.77Å; E197-P202 VanDerWaalsContact O-CD 3.25Å; E197-P202 WeakPolarHBondContact O-CD 3.45Å
198E93.3Very high95.4Very high70 Ų7041.9 Ų41.933%0.32721%0.211SC..G310 helixtrans-63.4-24.1177.965.5173.4-156.900113.3L165 E196 K200 L203L165-E198 HydrophobicContact CB-CG 4.22Å; L165-E198 HydrophobicContact CD2-CB 4.17Å; L165-E198 PolarHBondContact N-OE1 3.06Å; E196-E198 VanDerWaalsContact C-N 3.27Å; E196-E198 HydrophobicContact CB-CG 4.35Å; E196-E198 PolarHBondContact O-N 3.15Å; E198-K200 VanDerWaalsContact C-N 3.33Å; E198-L203 PolarHBondContact O-N 3.13Å
199L96.4Very high95.1Very high0 Ų047.3 Ų47.30%024%0.235CC..G310 helixtrans-87.1-4.3179.6-57.6-176.2000113.1F160 E163 L165 I168 E196 E197 R219F160-L199 HydrophobicContact CD2-CD1 4.2Å; F160-L199 HydrophobicContact CE2-CB 4.34Å; F160-L199 HydrophobicContact CE2-CD1 4.17Å; E163-L199 WeakPolarHBondContact O-CD1 3.41Å; E163-L199 WeakPolarHBondContact O-CD2 3.45Å; L165-L199 HydrophobicContact CB-CD2 4.17Å; L165-L199 HydrophobicContact CD1-CD2 4.23Å; I168-L199 HydrophobicContact CD1-CD2 3.53Å; E196-L199 HydrophobicContact CB-CD1 4.11Å; E196-L199 HydrophobicContact CB-CG 4.11Å; E196-L199 WeakPolarHBondContact O-CB 3.42Å; E196-L199 PolarHBondContact O-N 2.86Å; E196-L199 VanDerWaalsContact O-N 3.08Å; E197-L199 PolarHBondContact O-N 3.17Å; L199-R219 PolarHBondContact O-NH1 3.45Å; L199-R219 PolarHBondContact O-NH2 3.33Å
200K95.3Very high94.7Very high70 Ų7049.7 Ų49.730%0.30424%0.244SC..THydrogen-bonded Turntrans-89.9-113.1178.9-60.8-179.7-172.7168.80110.3E197 E198 E204 R219E197-K200 PolarHBondContact O-N 3.4Å; E197-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 IonicContact OE1-NZ 2.64Å; E197-K200 PolarHBondContact OE1-NZ 2.88Å; E197-K200 IonicContact OE2-NZ 3.77Å; E198-K200 VanDerWaalsContact C-N 3.33Å; K200-E204 PolarHBondContact O-N 3.32Å; K200-R219 PolarHBondContact O-NH2 2.85Å
201V94.3Very high94.5Very high85 Ų8550.3 Ų50.352%0.51525%0.246SC..Hα-helixtrans-58.5-44.2-178.9-179.70000112.3L203 E204 E205V201-L203 PolarHBondContact O-N 3.15Å; V201-E204 PolarHBondContact O-N 2.99Å; V201-E205 HydrophobicContact CG1-CG 3.98Å; V201-E205 WeakPolarHBondContact CG1-OE1 3.41Å; V201-E205 WeakPolarHBondContact O-CB 3.45Å; V201-E205 WeakPolarHBondContact O-CG 3.41Å; V201-E205 PolarHBondContact O-N 2.83Å
202P94Very high94.1Very high44 Ų4454.9 Ų54.929%0.28628%0.276SS..Hα-helixtrans-62.4-42.6-176.6-24.637.1000113.4L85 E197 Y206L85-P202 HydrophobicContact CD2-CB 3.86Å; E197-P202 VanDerWaalsContact O-CD 3.25Å; E197-P202 WeakPolarHBondContact O-CD 3.45Å; P202-Y206 WeakPolarHBondContact O-CB 3.46Å; P202-Y206 PolarHBondContact O-N 3.3Å
203L95.8Very high94Very high0 Ų057.9 Ų57.90%031%0.308CS..Hα-helixtrans-60.5-49.1173.6174.661.7000111.9F160 L165 I168 L169 L189 E198 V201 Y206 V207F160-L203 HydrophobicContact CE2-CD2 4.2Å; F160-L203 HydrophobicContact CZ-CD2 3.7Å; L165-L203 HydrophobicContact CD1-CB 4.04Å; L165-L203 HydrophobicContact CD1-CD1 3.71Å; L165-L203 HydrophobicContact CD1-CG 4.4Å; I168-L203 HydrophobicContact CG2-CD1 4.39Å; L169-L203 HydrophobicContact CD2-CD1 3.83Å; L189-L203 HydrophobicContact CD1-CD1 4.11Å; L189-L203 HydrophobicContact CD1-CD2 4.46Å; E198-L203 PolarHBondContact O-N 3.13Å; V201-L203 PolarHBondContact O-N 3.15Å; L203-Y206 PolarHBondContact O-N 3.09Å; L203-V207 HydrophobicContact CD1-CG1 4.02Å; L203-V207 WeakPolarHBondContact O-CG2 3.48Å; L203-V207 PolarHBondContact O-N 2.85Å
204E94.4Very high94Very high60 Ų6056.3 Ų56.328%0.2830%0.3SS..Hα-helixtrans-60.7-47.7179.7-83.8175.1-153.400112.2K200 V201 Y206 V207 H208 V217 R219K200-E204 PolarHBondContact O-N 3.32Å; V201-E204 PolarHBondContact O-N 2.99Å; E204-Y206 VanDerWaalsContact C-N 3.32Å; E204-Y206 PolarHBondContact O-N 2.66Å; E204-V207 PolarHBondContact O-N 2.77Å; E204-H208 VanDerWaalsContact O-CB 3.25Å; E204-H208 WeakPolarHBondContact O-CB 3.4Å; E204-H208 PolarHBondContact O-N 3.07Å; E204-H208 PolarHBondContact O-ND1 2.92Å; E204-V217 HydrophobicContact CG-CB 4.06Å; E204-V217 HydrophobicContact CG-CG1 4.27Å; E204-V217 HydrophobicContact CG-CG2 3.84Å; E204-R219 IonicContact OE1-CZ 3.81Å; E204-R219 IonicContact OE1-NE 3.78Å; E204-R219 PolarHBondContact OE1-NE 2.92Å; E204-R219 IonicContact OE1-NH2 2.75Å; E204-R219 PolarHBondContact OE1-NH2 2.9Å
205E92.9Very high94.1Very high91 Ų9156 Ų5643%0.42530%0.297SS..Hα-helixtrans-60.4-43.7177.7-76.9-164.9-164.900111.9V201 K209V201-E205 HydrophobicContact CG1-CG 3.98Å; V201-E205 WeakPolarHBondContact CG1-OE1 3.41Å; V201-E205 WeakPolarHBondContact O-CB 3.45Å; V201-E205 WeakPolarHBondContact O-CG 3.41Å; V201-E205 PolarHBondContact O-N 2.83Å; E205-K209 VanDerWaalsContact O-CB 3.24Å; E205-K209 WeakPolarHBondContact O-CB 3.02Å; E205-K209 WeakPolarHBondContact O-CG 3.32Å; E205-K209 PolarHBondContact O-N 2.72Å; E205-K209 IonicContact OE2-NZ 3.89Å; E205-K209 PolarHBondContact OE2-NZ 2.82Å
206Y94.1Very high94.2Very high3 Ų354.6 Ų54.61%0.01229%0.286CS..Hα-helixtrans-58.8-54.9178.2-176.1-87.7000110.9L81 L85 E89 L130 L169 H173 P202 L203 E204 H208 K209 R210L81-Y206 HydrophobicContact CB-CD2 3.85Å; L81-Y206 HydrophobicContact CB-CE2 3.91Å; L85-Y206 HydrophobicContact CD1-CD2 3.45Å; L85-Y206 VanDerWaalsContact CD1-CD2 3.45Å; L85-Y206 HydrophobicContact CD1-CE2 4.23Å; L85-Y206 HydrophobicContact CD1-CG 3.99Å; E89-Y206 PolarHBondContact OE1-OH 3.03Å; L130-Y206 WeakPolarHBondContact CD1-OH 3.33Å; L169-Y206 HydrophobicContact CD1-CD1 3.71Å; L169-Y206 HydrophobicContact CD1-CD2 4.26Å; L169-Y206 HydrophobicContact CD1-CE1 3.74Å; L169-Y206 HydrophobicContact CD1-CE2 4.27Å; L169-Y206 HydrophobicContact CD1-CG 3.97Å; L169-Y206 HydrophobicContact CD2-CD1 3.41Å; L169-Y206 VanDerWaalsContact CD2-CD1 3.41Å; L169-Y206 HydrophobicContact CD2-CE1 3.62Å; L169-Y206 HydrophobicContact CD2-CG 4.31Å; L169-Y206 HydrophobicContact CG-CD1 4.19Å; L169-Y206 HydrophobicContact CG-CE1 4.17Å; H173-Y206 PolarHBondContact CE1-OH 2.74Å; H173-Y206 AromaticContact NE2-CE1 3.67Å; H173-Y206 AromaticContact NE2-CZ 3.62Å; H173-Y206 PolarHBondContact NE2-OH 3.02Å; P202-Y206 WeakPolarHBondContact O-CB 3.46Å; P202-Y206 PolarHBondContact O-N 3.3Å; L203-Y206 PolarHBondContact O-N 3.09Å; E204-Y206 VanDerWaalsContact C-N 3.32Å; E204-Y206 PolarHBondContact O-N 2.66Å; Y206-H208 PolarHBondContact O-N 2.83Å; Y206-K209 PolarHBondContact O-N 3.42Å; Y206-R210 HydrophobicContact CD1-CB 4.47Å; Y206-R210 HydrophobicContact CE1-CB 4.27Å; Y206-R210 HydrophobicContact CE1-CG 4.31Å; Y206-R210 WeakPolarHBondContact O-CB 3.27Å; Y206-R210 PolarHBondContact O-N 3.5Å
207V94.8Very high94.4Very high0 Ų054.8 Ų54.80%029%0.289CS..Hα-helixtrans-71-34.7-173.9-58.70000112.5L169 L189 L203 E204 Y211 V215 V217L169-V207 HydrophobicContact CD2-CG1 3.96Å; L189-V207 HydrophobicContact CD1-CG1 4.08Å; L203-V207 HydrophobicContact CD1-CG1 4.02Å; L203-V207 WeakPolarHBondContact O-CG2 3.48Å; L203-V207 PolarHBondContact O-N 2.85Å; E204-V207 PolarHBondContact O-N 2.77Å; V207-Y211 CarbonylContact O-C 3.54Å; V207-Y211 WeakPolarHBondContact O-CA 3.4Å; V207-Y211 WeakPolarHBondContact O-CB 3.4Å; V207-Y211 PolarHBondContact O-N 3.44Å; V207-V215 HydrophobicContact CB-CB 3.94Å; V207-V215 HydrophobicContact CB-CG1 3.7Å; V207-V215 HydrophobicContact CG1-CG1 4.01Å; V207-V215 HydrophobicContact CG2-CB 4.32Å; V207-V215 HydrophobicContact CG2-CG1 3.9Å; V207-V217 HydrophobicContact CG2-CG2 3.98Å
208H92.5Very high94.6Very high94 Ų9450 Ų5044%0.43527%0.268SS..Hα-helixtrans-69.5-38.4176.2-70.6159.2000112.5E204 Y206 P212E204-H208 VanDerWaalsContact O-CB 3.25Å; E204-H208 WeakPolarHBondContact O-CB 3.4Å; E204-H208 PolarHBondContact O-N 3.07Å; E204-H208 PolarHBondContact O-ND1 2.92Å; Y206-H208 PolarHBondContact O-N 2.83Å; H208-P212 WeakPolarHBondContact O-CA 3.33Å
209K91.5Very high94.8Very high114 Ų11450.5 Ų50.550%0.49627%0.267SS..Hα-helixtrans-75-39.1177-68.1172.6-174.9163.40111.5L81 E205 Y206L81-K209 HydrophobicContact CD1-CB 3.71Å; L81-K209 HydrophobicContact CD2-CB 3.77Å; L81-K209 HydrophobicContact CD2-CD 3.38Å; L81-K209 HydrophobicContact CD2-CG 4.2Å; L81-K209 HydrophobicContact CG-CB 4.41Å; E205-K209 VanDerWaalsContact O-CB 3.24Å; E205-K209 WeakPolarHBondContact O-CB 3.02Å; E205-K209 WeakPolarHBondContact O-CG 3.32Å; E205-K209 PolarHBondContact O-N 2.72Å; E205-K209 IonicContact OE2-NZ 3.89Å; E205-K209 PolarHBondContact OE2-NZ 2.82Å; Y206-K209 PolarHBondContact O-N 3.42Å
210R90.8Very high94.9Very high49 Ų4951.3 Ų51.319%0.18527%0.271CS..Hα-helixtrans-80.9-35.5-176.4-173.362.9-179.582.2-1.9114L81 E89 Y206L81-R210 HydrophobicContact CD1-CB 4.39Å; E89-R210 IonicContact OE2-NE 3.2Å; E89-R210 PolarHBondContact OE2-NE 2.68Å; E89-R210 IonicContact OE2-NH2 3.49Å; Y206-R210 HydrophobicContact CD1-CB 4.47Å; Y206-R210 HydrophobicContact CE1-CB 4.27Å; Y206-R210 HydrophobicContact CE1-CG 4.31Å; Y206-R210 WeakPolarHBondContact O-CB 3.27Å; Y206-R210 PolarHBondContact O-N 3.5Å
211Y93.5Very high94.9Very high13 Ų1357.3 Ų57.35%0.05130%0.301CS..SBendtrans-136.159.8-173.5-56.5-65.7000111.7V172 H173 V176 V207 G213 L214 V215V172-Y211 HydrophobicContact CG1-CD2 4.04Å; V172-Y211 HydrophobicContact CG1-CE2 3.76Å; H173-Y211 PolarHBondContact CD2-OH 2.7Å; H173-Y211 VanDerWaalsContact CD2-OH 3.32Å; H173-Y211 PolarHBondContact CE1-OH 2.81Å; H173-Y211 PolarHBondContact ND1-OH 2.8Å; H173-Y211 PolarHBondContact NE2-OH 3.44Å; V176-Y211 HydrophobicContact CB-CE1 4.17Å; V176-Y211 HydrophobicContact CG1-CD1 4.37Å; V176-Y211 HydrophobicContact CG1-CE1 3.83Å; V176-Y211 HydrophobicContact CG2-CD1 4.23Å; V176-Y211 HydrophobicContact CG2-CE1 3.95Å; V207-Y211 CarbonylContact O-C 3.54Å; V207-Y211 WeakPolarHBondContact O-CA 3.4Å; V207-Y211 WeakPolarHBondContact O-CB 3.4Å; V207-Y211 PolarHBondContact O-N 3.44Å; Y211-G213 PolarHBondContact O-N 2.87Å; Y211-L214 HydrophobicContact CD1-CD2 4.38Å; Y211-L214 PolarHBondContact O-N 2.98Å; Y211-L214 VanDerWaalsContact O-N 3.09Å; Y211-V215 HydrophobicContact CD2-CG2 3.85Å; Y211-V215 HydrophobicContact CG-CG2 3.93Å; Y211-V215 PolarHBondContact O-N 2.8Å
212P91.3Very high94.9Very high102 Ų10259.2 Ų59.266%0.66230%0.302SS*.THydrogen-bonded Turntrans-56.8125.2-17323.7-34.6000111.9H208 L214H208-P212 WeakPolarHBondContact O-CA 3.33Å; P212-L214 PolarHBondContact O-N 2.83Å; P212-L214 VanDerWaalsContact O-N 3.07Å
213G92.9Very high94.8Very high68 Ų6862 Ų6270%0.70131%0.307SS*.THydrogen-bonded Turntrans73.3-12.4178.900000115.7Y211Y211-G213 PolarHBondContact O-N 2.87Å
214L97.4Very high94.7Very high45 Ų4564.1 Ų64.124%0.23632%0.317CS..THydrogen-bonded Turntrans-87.3-43.3179.3-179.468.1000111.8V176 L184 E186 I187 Y211 P212V176-L214 HydrophobicContact CG2-CD2 4.01Å; L184-L214 HydrophobicContact CD2-CD1 4.18Å; L184-L214 HydrophobicContact CD2-CD2 4.18Å; L184-L214 HydrophobicContact CG-CD1 4.16Å; E186-L214 CarbonylContact C-O 3.51Å; E186-L214 WeakPolarHBondContact CA-O 3.22Å; I187-L214 PolarHBondContact N-O 3.35Å; Y211-L214 HydrophobicContact CD1-CD2 4.38Å; Y211-L214 PolarHBondContact O-N 2.98Å; Y211-L214 VanDerWaalsContact O-N 3.09Å; P212-L214 PolarHBondContact O-N 2.83Å; P212-L214 VanDerWaalsContact O-N 3.07Å
215V98.2Very high94.6Very high2 Ų261.4 Ų61.41%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-102.3129.4-179.4-175.30000109.7V172 I187 L189 V207 Y211V172-V215 HydrophobicContact CG1-CG2 4.01Å; I187-V215 HydrophobicContact CB-CG2 4.12Å; I187-V215 HydrophobicContact CD1-CG2 4.44Å; I187-V215 HydrophobicContact CG2-CG1 4.41Å; I187-V215 CarbonylContact O-C 3.09Å; I187-V215 WeakPolarHBondContact O-CA 3.39Å; L189-V215 HydrophobicContact CD1-CG1 3.85Å; L189-V215 HydrophobicContact CG-CG1 3.94Å; V207-V215 HydrophobicContact CB-CB 3.94Å; V207-V215 HydrophobicContact CB-CG1 3.7Å; V207-V215 HydrophobicContact CG1-CG1 4.01Å; V207-V215 HydrophobicContact CG2-CB 4.32Å; V207-V215 HydrophobicContact CG2-CG1 3.9Å; Y211-V215 HydrophobicContact CD2-CG2 3.85Å; Y211-V215 HydrophobicContact CG-CG2 3.93Å; Y211-V215 PolarHBondContact O-N 2.8Å
216K97.2Very high94.6Very high82 Ų8258.2 Ų58.236%0.35729%0.29SS..EExtended strand (participates in β ladder)trans-119.6138.9178.5-62.4175.5-178.8171.40109.8E186 I187 I188 L189E186-K216 WeakPolarHBondContact OE2-CE 3.34Å; E186-K216 IonicContact OE2-NZ 3.37Å; E186-K216 PolarHBondContact OE2-NZ 3.34Å; I187-K216 PolarHBondContact O-N 2.77Å; I188-K216 WeakPolarHBondContact CA-O 3.45Å; L189-K216 PolarHBondContact N-O 2.99Å
217V98.1Very high94.6Very high30 Ų3058.1 Ų58.118%0.18229%0.29CS..EExtended strand (participates in β ladder)trans-104.2128.1172.8-174.60000109.1L189 E204 V207 R219L189-V217 HydrophobicContact CB-CG2 4.36Å; L189-V217 HydrophobicContact CD1-CG2 4.44Å; L189-V217 CarbonylContact O-C 3.58Å; L189-V217 WeakPolarHBondContact O-CA 3.35Å; E204-V217 HydrophobicContact CG-CB 4.06Å; E204-V217 HydrophobicContact CG-CG1 4.27Å; E204-V217 HydrophobicContact CG-CG2 3.84Å; V207-V217 HydrophobicContact CG2-CG2 3.98Å; V217-R219 HydrophobicContact CG1-CG 4.06Å
218V98Very high94.7Very high28 Ų2861 Ų6117%0.1730%0.301CS..EExtended strand (participates in β ladder)trans-117.6128.7174.7176.80000107.2I188 L189 V190 D191 V236I188-V218 HydrophobicContact CG2-CG2 3.9Å; L189-V218 PolarHBondContact O-N 3.41Å; V190-V218 CarbonylContact C-O 3.26Å; V190-V218 WeakPolarHBondContact CA-O 3.48Å; V190-V218 HydrophobicContact CG2-CB 4.44Å; D191-V218 PolarHBondContact N-O 3.45Å; V218-V236 HydrophobicContact CG2-CG1 4.24Å; V218-V236 HydrophobicContact CG2-CG2 3.77Å
219R97.8Very high94.9Very high81 Ų8156.5 Ų56.531%0.30628%0.28SS..EExtended strand (participates in β ladder)trans-118.2126.8-177.8-56-165.5-179.9-91.8-1.1111.1D191 L199 K200 E204 V217D191-R219 HydrophobicContact CB-CG 4.1Å; D191-R219 IonicContact OD2-CZ 2.67Å; D191-R219 IonicContact OD2-NH1 2.68Å; D191-R219 PolarHBondContact OD2-NH1 2.81Å; L199-R219 PolarHBondContact O-NH1 3.45Å; L199-R219 PolarHBondContact O-NH2 3.33Å; K200-R219 PolarHBondContact O-NH2 2.85Å; E204-R219 IonicContact OE1-CZ 3.81Å; E204-R219 IonicContact OE1-NE 3.78Å; E204-R219 PolarHBondContact OE1-NE 2.92Å; E204-R219 IonicContact OE1-NH2 2.75Å; E204-R219 PolarHBondContact OE1-NH2 2.9Å; V217-R219 HydrophobicContact CG1-CG 4.06Å
220N97.2Very high95.2Very high16 Ų1651.2 Ų51.29%0.08626%0.257CS..  trans-75.3143.5169.7-66.3-18.1000109.8D191 D192 K222 E224D191-N220 PolarHBondContact O-N 3.38Å; D192-N220 PolarHBondContact OD1-ND2 3.29Å; N220-K222 VanDerWaalsContact C-N 3.26Å; N220-K222 WeakPolarHBondContact CB-O 3.23Å; N220-K222 PolarHBondContact O-N 3.45Å; N220-E224 HydrophobicContact CB-CG 4.18Å
221Q95.5Very high95.5Very high197 Ų19749.6 Ų49.692%0.92125%0.252SS*.SBendtrans-76.4-15.8179.1-64179.43.700113.3
222K95.1Very high95.8Very high124 Ų12451.7 Ų51.754%0.53926%0.262SS..SBendtrans-148.6166.3178.265.9179.4-179.1-179.20108.8N193 N220 E224N193-K222 VanDerWaalsContact CB-C 3.46Å; N220-K222 VanDerWaalsContact C-N 3.26Å; N220-K222 WeakPolarHBondContact CB-O 3.23Å; N220-K222 PolarHBondContact O-N 3.45Å; K222-E224 VanDerWaalsContact CE-CD 3.47Å; K222-E224 WeakPolarHBondContact CE-OE1 2.95Å; K222-E224 HydrophobicContact CG-CG 4.34Å; K222-E224 IonicContact NZ-OE1 2.76Å; K222-E224 PolarHBondContact O-N 3.33Å; K222-E224 VanDerWaalsContact O-N 3.13Å
223R92.6Very high96.1Very high104 Ų10446.8 Ų46.839%0.39223%0.23SC..  trans-67.4110.4173.3-174.363.6-176.8-82.7-6.4110.2D192D192-R223 WeakPolarHBondContact O-CD 3.32Å; D192-R223 WeakPolarHBondContact OD2-CD 3.29Å; D192-R223 IonicContact OD2-CZ 2.76Å; D192-R223 IonicContact OD2-NE 2.84Å; D192-R223 PolarHBondContact OD2-NE 3.49Å
224E93.3Very high96.4Very high44 Ų4445.8 Ų45.821%0.20621%0.205CC..  trans-98-29.2-177.4-70-69.1-178.900112.7D192 N220 K222 R228D192-E224 WeakPolarHBondContact OD1-CA 3.2Å; D192-E224 WeakPolarHBondContact OD1-CB 3.43Å; D192-E224 PolarHBondContact OD1-N 2.86Å; N220-E224 HydrophobicContact CB-CG 4.18Å; K222-E224 VanDerWaalsContact CE-CD 3.47Å; K222-E224 WeakPolarHBondContact CE-OE1 2.95Å; K222-E224 HydrophobicContact CG-CG 4.34Å; K222-E224 IonicContact NZ-OE1 2.76Å; K222-E224 PolarHBondContact O-N 3.33Å; K222-E224 VanDerWaalsContact O-N 3.13Å; E224-R228 HydrophobicContact CB-CB 3.72Å; E224-R228 HydrophobicContact CG-CB 4.48Å; E224-R228 WeakPolarHBondContact OE2-CD 3.26Å; E224-R228 IonicContact OE2-CZ 3.91Å; E224-R228 IonicContact OE2-NE 3.79Å; E224-R228 IonicContact OE2-NH1 2.66Å; E224-R228 PolarHBondContact OE2-NH1 2.89Å
225G91.8Very high96.4Very high2 Ų249 Ų492%0.02122%0.217CC..  trans93.9169-176.600000113.4D192 I227 R228 A229D192-G225 PolarHBondContact OD1-N 2.92Å; D192-G225 VanDerWaalsContact OD2-CA 3.23Å; D192-G225 WeakPolarHBondContact OD2-CA 3.47Å; D192-G225 PolarHBondContact OD2-N 3.27Å; G225-I227 VanDerWaalsContact C-N 3.27Å; G225-I227 PolarHBondContact O-N 3.5Å; G225-I227 VanDerWaalsContact O-N 3.16Å; G225-R228 PolarHBondContact O-N 2.84Å; G225-A229 VanDerWaalsContact O-CB 3.32Å; G225-A229 WeakPolarHBondContact O-CB 3.3Å; G225-A229 PolarHBondContact O-N 3.31Å
226L92.2Very high96.4Very high25 Ų2551.7 Ų51.713%0.13123%0.234CC..Hα-helixtrans-53.6-43.3-170.4176.6148.9000112.6I159 R230 V349 Y350 E353I159-L226 HydrophobicContact CD1-CB 4.1Å; I159-L226 HydrophobicContact CD1-CD1 4.03Å; I159-L226 HydrophobicContact CD1-CG 3.56Å; L226-R230 WeakPolarHBondContact O-CG 3.21Å; L226-R230 PolarHBondContact O-N 3.19Å; L226-R230 VanDerWaalsContact O-N 3.11Å; L226-V349 WeakPolarHBondContact CB-O 3.41Å; L226-V349 PolarHBondContact N-O 3.05Å; L226-Y350 HydrophobicContact CD1-CD2 3.89Å; L226-Y350 HydrophobicContact CD1-CE2 4.28Å; L226-E353 HydrophobicContact CD2-CG 3.66Å
227I95.2Very high96.5Very high1 Ų147.8 Ų47.81%0.00522%0.217CC..Hα-helixtrans-65.7-54.6-174-65.886.5000111G225 R230 I231 L343 D344 M347 E353G225-I227 VanDerWaalsContact C-N 3.27Å; G225-I227 PolarHBondContact O-N 3.5Å; G225-I227 VanDerWaalsContact O-N 3.16Å; I227-R230 PolarHBondContact O-N 3.26Å; I227-I231 HydrophobicContact CG2-CD1 4.04Å; I227-I231 WeakPolarHBondContact O-CG1 3.28Å; I227-I231 PolarHBondContact O-N 2.92Å; I227-I231 VanDerWaalsContact O-N 3.12Å; I227-L343 HydrophobicContact CG2-CB 3.45Å; I227-L343 VanDerWaalsContact CG2-CB 3.45Å; I227-L343 HydrophobicContact CG2-CD1 4.18Å; I227-L343 HydrophobicContact CG2-CG 4.45Å; I227-D344 WeakPolarHBondContact CG2-O 3.38Å; I227-M347 HydrophobicContact CD1-CB 3.96Å; I227-M347 HydrophobicContact CG1-CB 4.07Å; I227-E353 HydrophobicContact CD1-CB 4.05Å; I227-E353 HydrophobicContact CD1-CG 4.21Å; I227-E353 HydrophobicContact CG1-CB 3.58Å; I227-E353 HydrophobicContact CG1-CG 3.9Å
228R96.5Very high96.5Very high60 Ų6049.9 Ų49.923%0.22623%0.23CC..Hα-helixtrans-70.8-36.2-176.7-70-180-148.2140.315.6111.4E224 G225 R230 I231 E232 P345 D348E224-R228 HydrophobicContact CB-CB 3.72Å; E224-R228 HydrophobicContact CG-CB 4.48Å; E224-R228 WeakPolarHBondContact OE2-CD 3.26Å; E224-R228 IonicContact OE2-CZ 3.91Å; E224-R228 IonicContact OE2-NE 3.79Å; E224-R228 IonicContact OE2-NH1 2.66Å; E224-R228 PolarHBondContact OE2-NH1 2.89Å; G225-R228 PolarHBondContact O-N 2.84Å; R228-R230 VanDerWaalsContact C-N 3.33Å; R228-R230 PolarHBondContact O-N 2.77Å; R228-I231 CarbonylContact O-C 3.58Å; R228-I231 WeakPolarHBondContact O-CA 3.26Å; R228-I231 WeakPolarHBondContact O-CB 3.33Å; R228-I231 PolarHBondContact O-N 3.32Å; R228-E232 WeakPolarHBondContact O-CG 3.25Å; R228-E232 PolarHBondContact O-N 2.81Å; R228-P345 HydrophobicContact CG-CB 4.36Å; R228-P345 PolarHBondContact NE-O 3.34Å; R228-P345 PolarHBondContact NH2-O 2.67Å; R228-D348 IonicContact NH2-OD1 2.76Å; R228-D348 PolarHBondContact NH2-OD1 3.5Å
229A97Very high96.5Very high0 Ų048.8 Ų48.80%022%0.224CC..Hα-helixtrans-58.3-42.8172.300000112.2I159 V190 D192 G225 I231 E232 G233I159-A229 HydrophobicContact CB-CB 4.24Å; I159-A229 HydrophobicContact CG2-CB 3.87Å; V190-A229 HydrophobicContact CG1-CB 4.1Å; D192-A229 HydrophobicContact CB-CB 4.15Å; G225-A229 VanDerWaalsContact O-CB 3.32Å; G225-A229 WeakPolarHBondContact O-CB 3.3Å; G225-A229 PolarHBondContact O-N 3.31Å; A229-I231 VanDerWaalsContact C-N 3.31Å; A229-I231 PolarHBondContact O-N 3.25Å; A229-E232 PolarHBondContact O-N 2.99Å; A229-G233 PolarHBondContact O-N 2.9Å; A229-G233 VanDerWaalsContact O-N 3.07Å
230R97.5Very high96.6Very high3 Ų350.7 Ų50.71%0.01124%0.236CC..Hα-helixtrans-62-40.1172.8-73.4179178-173.9-3.5111.7I159 L226 I227 R228 G233 W234 F244 D246 G327 L343I159-R230 HydrophobicContact CD1-CG 4.06Å; I159-R230 HydrophobicContact CG1-CG 4.45Å; I159-R230 HydrophobicContact CG2-CG 3.84Å; L226-R230 WeakPolarHBondContact O-CG 3.21Å; L226-R230 PolarHBondContact O-N 3.19Å; L226-R230 VanDerWaalsContact O-N 3.11Å; I227-R230 PolarHBondContact O-N 3.26Å; R228-R230 VanDerWaalsContact C-N 3.33Å; R228-R230 PolarHBondContact O-N 2.77Å; R230-G233 PolarHBondContact O-N 2.8Å; R230-W234 PolarHBondContact O-N 3.03Å; R230-F244 HydrophobicContact CB-CD1 3.86Å; R230-F244 HydrophobicContact CB-CE1 4.03Å; R230-F244 HydrophobicContact CG-CD1 3.92Å; R230-F244 WeakPolarHBondContact O-CE1 3.18Å; R230-D246 IonicContact NH2-OD1 2.89Å; R230-D246 PolarHBondContact NH2-OD1 2.77Å; R230-D246 VanDerWaalsContact NH2-OD1 3.17Å; R230-G327 PolarHBondContact NH1-O 3.02Å; R230-G327 VanDerWaalsContact NH1-O 3.09Å; R230-G327 PolarHBondContact NH2-O 2.9Å; R230-L343 HydrophobicContact CB-CD1 4.14Å
231I98.1Very high96.6Very high15 Ų1549.9 Ų49.98%0.07723%0.232CC..Hα-helixtrans-63.9-42.4177.2-68.5167.5000111.3I227 R228 A229 G233 W234 K235 L342 L343 P345I227-I231 HydrophobicContact CG2-CD1 4.04Å; I227-I231 WeakPolarHBondContact O-CG1 3.28Å; I227-I231 PolarHBondContact O-N 2.92Å; I227-I231 VanDerWaalsContact O-N 3.12Å; R228-I231 CarbonylContact O-C 3.58Å; R228-I231 WeakPolarHBondContact O-CA 3.26Å; R228-I231 WeakPolarHBondContact O-CB 3.33Å; R228-I231 PolarHBondContact O-N 3.32Å; A229-I231 VanDerWaalsContact C-N 3.31Å; A229-I231 PolarHBondContact O-N 3.25Å; I231-G233 PolarHBondContact O-N 3.44Å; I231-W234 WeakPolarHBondContact O-CB 3.4Å; I231-W234 PolarHBondContact O-N 2.66Å; I231-K235 WeakPolarHBondContact O-CG 3.36Å; I231-K235 PolarHBondContact O-N 2.82Å; I231-L342 HydrophobicContact CG1-CB 4.27Å; I231-L342 HydrophobicContact CG1-CD1 4.23Å; I231-L342 HydrophobicContact CG2-CD1 4Å; I231-L343 HydrophobicContact CD1-CB 4.44Å; I231-P345 HydrophobicContact CD1-CB 4.08Å
232E98.3Very high96.8Very high56 Ų5640.5 Ų40.526%0.26219%0.188SC..Hα-helixtrans-62.1-42.6176.2-65.6-46.3126.300111.9V190 R228 A229 W234 K235 V236V190-E232 HydrophobicContact CG1-CB 4.48Å; R228-E232 WeakPolarHBondContact O-CG 3.25Å; R228-E232 PolarHBondContact O-N 2.81Å; A229-E232 PolarHBondContact O-N 2.99Å; E232-W234 VanDerWaalsContact C-N 3.32Å; E232-W234 PolarHBondContact O-N 2.91Å; E232-K235 PolarHBondContact O-N 2.97Å; E232-K235 IonicContact OE1-NZ 3.77Å; E232-K235 PolarHBondContact OE1-NZ 2.63Å; E232-K235 WeakPolarHBondContact OE2-CD 3.3Å; E232-K235 IonicContact OE2-NZ 3.74Å; E232-K235 PolarHBondContact OE2-NZ 2.9Å; E232-V236 PolarHBondContact O-N 3.1Å
233G98.4Very high97Very high0 Ų034.6 Ų34.60%016%0.163CC..Hα-helixtrans-60.2-41.1172.400000112.8A229 R230 I231 K235 V236 A237A229-G233 PolarHBondContact O-N 2.9Å; A229-G233 VanDerWaalsContact O-N 3.07Å; R230-G233 PolarHBondContact O-N 2.8Å; I231-G233 PolarHBondContact O-N 3.44Å; G233-K235 PolarHBondContact O-N 3.06Å; G233-V236 WeakPolarHBondContact O-CG2 3.33Å; G233-V236 PolarHBondContact O-N 3.25Å; G233-A237 PolarHBondContact O-N 2.84Å; G233-A237 VanDerWaalsContact O-N 3.17Å
234W98.5Very high97.2Very high46 Ų4629.7 Ų29.717%0.17414%0.144CC..Hα-helixtrans-64.9-37.2177.7176.687.1000113.1R230 I231 E232 V236 A237 F244 R334 F337 L342R230-W234 PolarHBondContact O-N 3.03Å; I231-W234 WeakPolarHBondContact O-CB 3.4Å; I231-W234 PolarHBondContact O-N 2.66Å; E232-W234 VanDerWaalsContact C-N 3.32Å; E232-W234 PolarHBondContact O-N 2.91Å; W234-V236 VanDerWaalsContact C-N 3.33Å; W234-V236 PolarHBondContact O-N 3.31Å; W234-A237 PolarHBondContact O-N 3.37Å; W234-F244 HydrophobicContact CB-CE1 4.16Å; W234-F244 HydrophobicContact CB-CZ 3.96Å; W234-F244 HydrophobicContact CG-CZ 4.39Å; W234-R334 PolarHBondContact NE1-O 3.16Å; W234-R334 VanDerWaalsContact NE1-O 3.07Å; W234-F337 AromaticContact CD1-CD1 3.62Å; W234-F337 HydrophobicContact CG-CD1 4.21Å; W234-F337 AromaticContact NE1-CD1 3.83Å; W234-L342 HydrophobicContact CD2-CD1 4.25Å; W234-L342 HydrophobicContact CD2-CD2 3.57Å; W234-L342 HydrophobicContact CE3-CD1 3.75Å; W234-L342 HydrophobicContact CE3-CD2 3.91Å; W234-L342 HydrophobicContact CG-CD2 4.03Å; W234-L342 HydrophobicContact CH2-CD1 4.46Å; W234-L342 HydrophobicContact CH2-CD2 4.19Å; W234-L342 HydrophobicContact CZ2-CD2 3.86Å; W234-L342 HydrophobicContact CZ3-CD1 3.88Å; W234-L342 HydrophobicContact CZ3-CD2 4.21Å
235K98.3Very high97.5Very high112 Ų11227.6 Ų27.649%0.48713%0.134SC..Hα-helixtrans-60.4-42.2-179.9-75.7172.6-178.8171.40111.9I231 E232 G233I231-K235 WeakPolarHBondContact O-CG 3.36Å; I231-K235 PolarHBondContact O-N 2.82Å; E232-K235 PolarHBondContact O-N 2.97Å; E232-K235 IonicContact OE1-NZ 3.77Å; E232-K235 PolarHBondContact OE1-NZ 2.63Å; E232-K235 WeakPolarHBondContact OE2-CD 3.3Å; E232-K235 IonicContact OE2-NZ 3.74Å; E232-K235 PolarHBondContact OE2-NZ 2.9Å; G233-K235 PolarHBondContact O-N 3.06Å
236V98.2Very high97.7Very high59 Ų5928.7 Ų28.736%0.35814%0.14SC..Hα-helixtrans-84.9-17.1-178.7-55.80000113.5I188 V218 E232 G233 W234I188-V236 HydrophobicContact CD1-CG2 3.85Å; I188-V236 HydrophobicContact CG1-CG2 4.15Å; I188-V236 HydrophobicContact CG2-CG2 3.81Å; V218-V236 HydrophobicContact CG2-CG1 4.24Å; V218-V236 HydrophobicContact CG2-CG2 3.77Å; E232-V236 PolarHBondContact O-N 3.1Å; G233-V236 WeakPolarHBondContact O-CG2 3.33Å; G233-V236 PolarHBondContact O-N 3.25Å; W234-V236 VanDerWaalsContact C-N 3.33Å; W234-V236 PolarHBondContact O-N 3.31Å
237A98.6Very high97.9Very high1 Ų127.5 Ų27.51%0.00813%0.133CC..  trans-63.4139.8178.700000112.1I157 E186 I188 G233 W234 T242 R334I157-A237 HydrophobicContact CD1-CB 4.24Å; E186-A237 WeakPolarHBondContact OE1-CA 3.13Å; I188-A237 HydrophobicContact CD1-CB 3.71Å; G233-A237 PolarHBondContact O-N 2.84Å; G233-A237 VanDerWaalsContact O-N 3.17Å; W234-A237 PolarHBondContact O-N 3.37Å; A237-T242 HydrophobicContact CB-CG2 3.73Å; A237-R334 PolarHBondContact O-NE 3.2Å; A237-R334 PolarHBondContact O-NH2 3.4Å; A237-R334 VanDerWaalsContact O-NH2 3.12Å
238T98.4Very high98Very high74 Ų7428 Ų2845%0.45414%0.136SC..  trans-118.2-15.8-175.263.20000113.3K185 E186K185-T238 WeakPolarHBondContact CE-OG1 3.47Å; E186-T238 PolarHBondContact OE1-N 3.18Å; E186-T238 PolarHBondContact OE1-OG1 3.02Å; E186-T238 PolarHBondContact OE2-OG1 2.97Å
239G98.4Very high98Very high4 Ų425.2 Ų25.24%0.04113%0.126CC..SBendtrans-62.5155.5176.200000112.9S155 V241 R334S155-G239 WeakPolarHBondContact OG-CA 3.44Å; S155-G239 PolarHBondContact OG-N 3.27Å; G239-V241 PolarHBondContact O-N 2.87Å; G239-R334 WeakPolarHBondContact O-CD 3.19Å
240Q98.7Very high98.1Very high121 Ų12125.4 Ų25.457%0.56513%0.126SC*.SBendtrans-69.2-29.9175.2-69.2170.3-62.400111.2P152 Q153 N333 R334P152-Q240 VanDerWaalsContact CA-OE1 3.3Å; P152-Q240 HydrophobicContact CB-CB 3.94Å; Q153-Q240 PolarHBondContact O-N 3.4Å; Q153-Q240 VanDerWaalsContact O-N 3.14Å; Q240-N333 PolarHBondContact O-ND2 3.04Å; Q240-R334 WeakPolarHBondContact O-CB 3.45Å; Q240-R334 PolarHBondContact O-N 2.97Å
241V98.9Very high98.1Very high0 Ų025.2 Ų25.20%013%0.126CC..EExtended strand (participates in β ladder)trans-117.3141.7176.5178.20000109P152 Q153 I154 S155 G239 L260 I263 V331P152-V241 HydrophobicContact CB-CG2 4.07Å; P152-V241 HydrophobicContact CG-CG2 3.89Å; Q153-V241 PolarHBondContact O-N 2.91Å; Q153-V241 VanDerWaalsContact O-N 3.1Å; I154-V241 CarbonylContact C-O 3.54Å; I154-V241 WeakPolarHBondContact CA-O 2.92Å; I154-V241 HydrophobicContact CB-CB 4.43Å; I154-V241 HydrophobicContact CD1-CG1 4.21Å; I154-V241 HydrophobicContact CG1-CB 4.42Å; I154-V241 HydrophobicContact CG1-CG1 4.13Å; S155-V241 PolarHBondContact N-O 3.29Å; G239-V241 PolarHBondContact O-N 2.87Å; V241-L260 HydrophobicContact CB-CD2 3.91Å; V241-L260 HydrophobicContact CG1-CD2 3.86Å; V241-L260 HydrophobicContact CG2-CD2 3.91Å; V241-I263 HydrophobicContact CG1-CD1 3.81Å; V241-I263 HydrophobicContact CG2-CG2 3.91Å; V241-V331 HydrophobicContact CG1-CG1 3.27Å
242T98.8Very high98Very high0 Ų024.6 Ų24.60%012%0.122CC..EExtended strand (participates in β ladder)trans-118127.6173.645.90000109.4S155 I157 A237 V331 V332 R334S155-T242 WeakPolarHBondContact O-CA 3.44Å; I157-T242 HydrophobicContact CD1-CG2 4.18Å; A237-T242 HydrophobicContact CB-CG2 3.73Å; T242-V331 WeakPolarHBondContact O-CA 3.38Å; T242-V332 PolarHBondContact N-O 3.06Å; T242-V332 PolarHBondContact O-N 2.84Å; T242-V332 PolarHBondContact OG1-O 3.37Å; T242-R334 HydrophobicContact CG2-CB 3.97Å; T242-R334 HydrophobicContact CG2-CG 3.85Å
243G98.6Very high97.6Very high0 Ų024 Ų240%013%0.127CC..EExtended strand (participates in β ladder)trans-108123.4171.200000110.4S155 I156 I157 F330S155-G243 PolarHBondContact O-N 2.96Å; I156-G243 CarbonylContact C-O 3.56Å; I157-G243 PolarHBondContact N-O 3.17Å; G243-F330 WeakPolarHBondContact CA-O 3.41Å
244F98.5Very high97.4Very high0 Ų024.7 Ų24.70%014%0.135CC..EExtended strand (participates in β ladder)trans-102.4126.3177.6-60.2-90.9000108.8I157 R230 W234 S329 F330 V332 F337I157-F244 HydrophobicContact CB-CD1 4.13Å; I157-F244 HydrophobicContact CB-CE1 4.49Å; I157-F244 HydrophobicContact CD1-CD1 3.96Å; I157-F244 HydrophobicContact CD1-CE1 3.48Å; I157-F244 VanDerWaalsContact CD1-CE1 3.48Å; I157-F244 HydrophobicContact CD1-CZ 3.92Å; I157-F244 HydrophobicContact CG2-CD1 4.18Å; I157-F244 HydrophobicContact CG2-CE1 4.48Å; R230-F244 HydrophobicContact CB-CD1 3.86Å; R230-F244 HydrophobicContact CB-CE1 4.03Å; R230-F244 HydrophobicContact CG-CD1 3.92Å; R230-F244 WeakPolarHBondContact O-CE1 3.18Å; W234-F244 HydrophobicContact CB-CE1 4.16Å; W234-F244 HydrophobicContact CB-CZ 3.96Å; W234-F244 HydrophobicContact CG-CZ 4.39Å; F244-S329 VanDerWaalsContact O-CA 3.24Å; F244-S329 WeakPolarHBondContact O-CA 3.34Å; F244-F330 HydrophobicContact CB-CD1 3.85Å; F244-F330 HydrophobicContact CB-CE1 3.46Å; F244-F330 VanDerWaalsContact CB-CE1 3.46Å; F244-F330 HydrophobicContact CB-CZ 3.86Å; F244-F330 HydrophobicContact CD1-CZ 4.41Å; F244-F330 HydrophobicContact CD2-CD1 4.32Å; F244-F330 AromaticContact CD2-CD2 3.95Å; F244-F330 HydrophobicContact CD2-CD2 3.95Å; F244-F330 AromaticContact CD2-CE1 3.73Å; F244-F330 HydrophobicContact CD2-CE1 3.73Å; F244-F330 AromaticContact CD2-CE2 3.29Å; F244-F330 HydrophobicContact CD2-CE2 3.29Å; F244-F330 HydrophobicContact CD2-CG 4.44Å; F244-F330 AromaticContact CD2-CZ 3.17Å; F244-F330 HydrophobicContact CD2-CZ 3.17Å; F244-F330 AromaticContact CE2-CE2 3.69Å; F244-F330 HydrophobicContact CE2-CE2 3.69Å; F244-F330 AromaticContact CE2-CZ 3.75Å; F244-F330 HydrophobicContact CE2-CZ 3.75Å; F244-F330 HydrophobicContact CG-CD1 4.43Å; F244-F330 AromaticContact CG-CE1 3.72Å; F244-F330 HydrophobicContact CG-CE1 3.72Å; F244-F330 HydrophobicContact CG-CE2 4.14Å; F244-F330 AromaticContact CG-CZ 3.56Å; F244-F330 HydrophobicContact CG-CZ 3.56Å; F244-F330 PolarHBondContact N-O 3.15Å; F244-F330 PolarHBondContact O-N 2.83Å; F244-V332 HydrophobicContact CD2-CG1 4.48Å; F244-V332 HydrophobicContact CE2-CG1 3.94Å; F244-F337 HydrophobicContact CE1-CE1 4.38Å; F244-F337 AromaticContact CE2-CD1 3.98Å; F244-F337 HydrophobicContact CE2-CD1 3.98Å; F244-F337 AromaticContact CE2-CE1 3.72Å; F244-F337 HydrophobicContact CE2-CE1 3.72Å; F244-F337 HydrophobicContact CE2-CZ 4.33Å; F244-F337 AromaticContact CZ-CD1 3.88Å; F244-F337 HydrophobicContact CZ-CD1 3.88Å; F244-F337 AromaticContact CZ-CE1 3.48Å; F244-F337 HydrophobicContact CZ-CE1 3.48Å; F244-F337 VanDerWaalsContact CZ-CE1 3.48Å; F244-F337 HydrophobicContact CZ-CZ 4.37Å
245F98Very high97.4Very high0 Ų022.5 Ų22.50%013%0.126CC..EExtended strand (participates in β ladder)trans-135.9149.3-178-60.8-89.4000110.4I156 I157 F158 V249 F251 W255 P273 C328 S329 V331 V376I156-F245 HydrophobicContact CG2-CD2 3.77Å; I156-F245 HydrophobicContact CG2-CE2 4.1Å; I157-F245 PolarHBondContact O-N 2.92Å; F158-F245 WeakPolarHBondContact CA-O 3.17Å; F158-F245 HydrophobicContact CD1-CB 3.67Å; F158-F245 HydrophobicContact CE1-CB 3.55Å; F158-F245 HydrophobicContact CE1-CG 4.25Å; F245-V249 HydrophobicContact CB-CG2 4.27Å; F245-F251 HydrophobicContact CB-CZ 4.48Å; F245-F251 AromaticContact CD1-CE1 3.92Å; F245-F251 HydrophobicContact CD1-CE1 3.92Å; F245-F251 AromaticContact CD1-CZ 3.74Å; F245-F251 HydrophobicContact CD1-CZ 3.74Å; F245-F251 HydrophobicContact CD2-CE1 4.33Å; F245-F251 AromaticContact CD2-CZ 3.92Å; F245-F251 HydrophobicContact CD2-CZ 3.92Å; F245-F251 AromaticContact CE1-CE1 3.58Å; F245-F251 HydrophobicContact CE1-CE1 3.58Å; F245-F251 AromaticContact CE1-CZ 3.9Å; F245-F251 HydrophobicContact CE1-CZ 3.9Å; F245-F251 AromaticContact CE2-CE1 4Å; F245-F251 HydrophobicContact CE2-CE1 4Å; F245-F251 HydrophobicContact CE2-CZ 4.04Å; F245-F251 HydrophobicContact CG-CE1 4.3Å; F245-F251 AromaticContact CG-CZ 3.78Å; F245-F251 HydrophobicContact CG-CZ 3.78Å; F245-F251 AromaticContact CZ-CE1 3.63Å; F245-F251 HydrophobicContact CZ-CE1 3.63Å; F245-F251 HydrophobicContact CZ-CZ 4.05Å; F245-W255 HydrophobicContact CE1-CZ3 4.34Å; F245-W255 HydrophobicContact CE2-CH2 4.07Å; F245-W255 HydrophobicContact CE2-CZ3 4.38Å; F245-W255 AromaticContact CZ-CH2 3.71Å; F245-W255 HydrophobicContact CZ-CH2 3.71Å; F245-W255 AromaticContact CZ-CZ3 3.59Å; F245-W255 HydrophobicContact CZ-CZ3 3.59Å; F245-P273 HydrophobicContact CE1-CG 4.41Å; F245-C328 WeakPolarHBondContact CA-O 3.29Å; F245-S329 VanDerWaalsContact CD1-CB 3.46Å; F245-V331 HydrophobicContact CE2-CG2 4.43Å; F245-V331 HydrophobicContact CZ-CG2 3.87Å; F245-V376 HydrophobicContact CE1-CG2 4.2Å
246D95.6Very high97.4Very high25 Ų2517.2 Ų17.213%0.13410%0.103CC..EExtended strand (participates in β ladder)trans-67.9150.7164.1-65.2-11.9000109.8F158 R230 H248 V249 C328 H378F158-D246 WeakPolarHBondContact CD1-O 3.42Å; R230-D246 IonicContact NH2-OD1 2.89Å; R230-D246 PolarHBondContact NH2-OD1 2.77Å; R230-D246 VanDerWaalsContact NH2-OD1 3.17Å; D246-H248 PolarHBondContact O-N 2.88Å; D246-H248 IonicContact OD2-NE2 2.65Å; D246-V249 WeakPolarHBondContact O-CG2 3.44Å; D246-C328 PolarHBondContact N-O 2.86Å; D246-C328 WeakPolarHBondContact OD2-CA 3.47Å; D246-H378 IonicContact OD2-CD2 3.49Å; D246-H378 IonicContact OD2-NE2 3.35Å; D246-H378 PolarHBondContact OD2-NE2 2.75Å
247A96.7Very high97.4Very high0 Ų016.6 Ų16.60%010%0.096CC..SBendtrans-75.414.8-177.200000115.2F158 I159 F160 E163 V167 I168 S171F158-A247 HydrophobicContact CB-CB 4.34Å; I159-A247 WeakPolarHBondContact O-CB 3.41Å; F160-A247 HydrophobicContact CB-CB 3.72Å; E163-A247 HydrophobicContact CG-CB 4.22Å; V167-A247 CarbonylContact C-O 3.47Å; I168-A247 HydrophobicContact CG1-CB 4.25Å; S171-A247 PolarHBondContact OG-O 2.63Å
248H96.9Very high97.4Very high12 Ų1216.7 Ų16.76%0.05610%0.097CC..SBendtrans-132.857.7-177.447-93.5000111.6E163 V167 D246 H378 I379 R381E163-H248 IonicContact OE2-CE1 2.78Å; E163-H248 IonicContact OE2-CG 3.58Å; E163-H248 IonicContact OE2-ND1 3.35Å; E163-H248 PolarHBondContact OE2-ND1 2.77Å; V167-H248 VanDerWaalsContact CG1-CA 3.46Å; V167-H248 HydrophobicContact CG1-CB 3.34Å; D246-H248 PolarHBondContact O-N 2.88Å; D246-H248 IonicContact OD2-NE2 2.65Å; H248-H378 AromaticContact CD2-CD2 3.95Å; H248-H378 AromaticContact CD2-CE1 3.51Å; H248-H378 AromaticContact CD2-NE2 3.32Å; H248-H378 PolarHBondContact CD2-NE2 2.7Å; H248-H378 VanDerWaalsContact CD2-NE2 3.32Å; H248-H378 AromaticContact NE2-CE1 3.4Å; H248-H378 PolarHBondContact NE2-CE1 3.34Å; H248-H378 AromaticContact NE2-NE2 3.18Å; H248-H378 PolarHBondContact NE2-NE2 2.78Å; H248-H378 VanDerWaalsContact NE2-NE2 3.18Å; H248-I379 HydrophobicContact CB-CB 4.34Å; H248-I379 HydrophobicContact CB-CD1 4.01Å; H248-I379 HydrophobicContact CB-CG1 4.26Å; H248-I379 PolarHBondContact O-N 3.3Å; H248-I379 VanDerWaalsContact O-N 3.15Å; H248-R381 PolarHBondContact CE1-NH2 3.44Å; H248-R381 VanDerWaalsContact CE1-NH2 3.3Å; H248-R381 PolarHBondContact ND1-NH2 3.27Å
249V98Very high97.4Very high2 Ų213.2 Ų13.21%0.0128%0.076CC..EExtended strand (participates in β ladder)trans-131158.8-179.4-62.60000111.8F158 S171 F245 D246 F251 V376 A377 H378F158-V249 HydrophobicContact CE1-CG2 3.79Å; S171-V249 VanDerWaalsContact CA-O 3.23Å; S171-V249 WeakPolarHBondContact CA-O 3.21Å; S171-V249 WeakPolarHBondContact CB-O 3.39Å; S171-V249 PolarHBondContact OG-N 2.71Å; S171-V249 PolarHBondContact OG-O 3.44Å; F245-V249 HydrophobicContact CB-CG2 4.27Å; D246-V249 WeakPolarHBondContact O-CG2 3.44Å; V249-F251 HydrophobicContact CG2-CD2 4.43Å; V249-F251 HydrophobicContact CG2-CE2 3.66Å; V249-F251 HydrophobicContact CG2-CZ 4.07Å; V249-V376 HydrophobicContact CB-CG1 3.69Å; V249-V376 HydrophobicContact CG1-CG1 4.09Å; V249-V376 HydrophobicContact CG2-CG1 4.2Å; V249-A377 CarbonylContact C-O 3.38Å; V249-A377 WeakPolarHBondContact CA-O 3.27Å; V249-A377 WeakPolarHBondContact CB-O 3Å; V249-H378 HydrophobicContact CG1-CB 4.21Å
250E98.1Very high97.4Very high3 Ų313 Ų131%0.0147%0.074CC..EExtended strand (participates in β ladder)trans-127.4126.8168.4-72.8173-93.500110.5R132 I134 R170 S174 I278 A377R132-E250 WeakPolarHBondContact CG-OE2 3.22Å; R132-E250 IonicContact CZ-OE1 2.83Å; R132-E250 IonicContact CZ-OE2 3.79Å; R132-E250 IonicContact NE-OE1 3.94Å; R132-E250 PolarHBondContact NE-OE1 3.33Å; R132-E250 IonicContact NE-OE2 3.91Å; R132-E250 PolarHBondContact NE-OE2 3.07Å; R132-E250 IonicContact NH2-OE1 3.37Å; R132-E250 PolarHBondContact NH2-OE1 2.75Å; R132-E250 IonicContact NH2-OE2 3.78Å; I134-E250 HydrophobicContact CD1-CB 3.86Å; R170-E250 WeakPolarHBondContact CD-OE1 3.33Å; R170-E250 HydrophobicContact CG-CG 3.61Å; S174-E250 WeakPolarHBondContact OG-CA 3.46Å; E250-I278 HydrophobicContact CB-CD1 4.25Å; E250-I278 HydrophobicContact CG-CD1 4.23Å; E250-I278 WeakPolarHBondContact OE1-CD1 3.32Å; E250-A377 HydrophobicContact CB-CB 4.46Å; E250-A377 PolarHBondContact N-O 2.64Å; E250-A377 PolarHBondContact O-N 2.96Å
251F98.2Very high97.4Very high0 Ų08.2 Ų8.20%05%0.054CC..EExtended strand (participates in β ladder)trans-79.9143.7179.7-65.3-94.7000110.9I134 I156 F158 S174 A175 H178 F245 V249 W255 V376I134-F251 WeakPolarHBondContact CD1-O 3.34Å; I156-F251 HydrophobicContact CG2-CZ 4.44Å; F158-F251 AromaticContact CE1-CE2 3.87Å; F158-F251 HydrophobicContact CE1-CE2 3.87Å; F158-F251 HydrophobicContact CE1-CZ 4.03Å; F158-F251 AromaticContact CZ-CE2 3.58Å; F158-F251 HydrophobicContact CZ-CE2 3.58Å; F158-F251 AromaticContact CZ-CZ 3.9Å; F158-F251 HydrophobicContact CZ-CZ 3.9Å; S174-F251 PolarHBondContact OG-N 2.9Å; A175-F251 HydrophobicContact CB-CD2 3.69Å; A175-F251 HydrophobicContact CB-CE2 3.7Å; A175-F251 HydrophobicContact CB-CG 4.4Å; A175-F251 HydrophobicContact CB-CZ 4.33Å; H178-F251 HydrophobicContact CB-CB 4.19Å; H178-F251 PolarHBondContact CD2-O 3.1Å; F245-F251 HydrophobicContact CB-CZ 4.48Å; F245-F251 AromaticContact CD1-CE1 3.92Å; F245-F251 HydrophobicContact CD1-CE1 3.92Å; F245-F251 AromaticContact CD1-CZ 3.74Å; F245-F251 HydrophobicContact CD1-CZ 3.74Å; F245-F251 HydrophobicContact CD2-CE1 4.33Å; F245-F251 AromaticContact CD2-CZ 3.92Å; F245-F251 HydrophobicContact CD2-CZ 3.92Å; F245-F251 AromaticContact CE1-CE1 3.58Å; F245-F251 HydrophobicContact CE1-CE1 3.58Å; F245-F251 AromaticContact CE1-CZ 3.9Å; F245-F251 HydrophobicContact CE1-CZ 3.9Å; F245-F251 AromaticContact CE2-CE1 4Å; F245-F251 HydrophobicContact CE2-CE1 4Å; F245-F251 HydrophobicContact CE2-CZ 4.04Å; F245-F251 HydrophobicContact CG-CE1 4.3Å; F245-F251 AromaticContact CG-CZ 3.78Å; F245-F251 HydrophobicContact CG-CZ 3.78Å; F245-F251 AromaticContact CZ-CE1 3.63Å; F245-F251 HydrophobicContact CZ-CE1 3.63Å; F245-F251 HydrophobicContact CZ-CZ 4.05Å; V249-F251 HydrophobicContact CG2-CD2 4.43Å; V249-F251 HydrophobicContact CG2-CE2 3.66Å; V249-F251 HydrophobicContact CG2-CZ 4.07Å; F251-W255 HydrophobicContact CB-CG 4.44Å; F251-W255 AromaticContact CD1-CD2 3.51Å; F251-W255 HydrophobicContact CD1-CD2 3.51Å; F251-W255 AromaticContact CD1-CE2 3.23Å; F251-W255 AromaticContact CD1-CE3 3.99Å; F251-W255 HydrophobicContact CD1-CE3 3.99Å; F251-W255 HydrophobicContact CD1-CG 4.02Å; F251-W255 AromaticContact CD1-CH2 3.94Å; F251-W255 HydrophobicContact CD1-CH2 3.94Å; F251-W255 AromaticContact CD1-CZ2 3.46Å; F251-W255 HydrophobicContact CD1-CZ2 3.46Å; F251-W255 VanDerWaalsContact CD1-CZ2 3.46Å; F251-W255 HydrophobicContact CD1-CZ3 4.19Å; F251-W255 AromaticContact CD1-NE1 3.59Å; F251-W255 HydrophobicContact CE1-CD2 4.11Å; F251-W255 AromaticContact CE1-CE2 3.76Å; F251-W255 HydrophobicContact CE1-CE3 4.17Å; F251-W255 AromaticContact CE1-CH2 3.56Å; F251-W255 HydrophobicContact CE1-CH2 3.56Å; F251-W255 AromaticContact CE1-CZ2 3.48Å; F251-W255 HydrophobicContact CE1-CZ2 3.48Å; F251-W255 VanDerWaalsContact CE1-CZ2 3.48Å; F251-W255 AromaticContact CE1-CZ3 3.93Å; F251-W255 HydrophobicContact CE1-CZ3 3.93Å; F251-W255 HydrophobicContact CG-CZ2 4.44Å; F251-V376 HydrophobicContact CD1-CG2 3.79Å; F251-V376 HydrophobicContact CE1-CG2 4.02Å
252T94.8Very high97.4Very high1 Ų110.9 Ų10.91%0.0066%0.064CC..PPolyproline II helixtrans-98.8160.3175.365.30000111I134 G254 W255 R375I134-T252 HydrophobicContact CD1-CG2 3.54Å; I134-T252 HydrophobicContact CG1-CG2 4.14Å; T252-G254 PolarHBondContact O-N 3.39Å; T252-W255 WeakPolarHBondContact O-CB 3.34Å; T252-W255 PolarHBondContact O-N 3.17Å; T252-R375 HydrophobicContact CG2-CB 4.28Å; T252-R375 PolarHBondContact N-O 3.49Å; T252-R375 PolarHBondContact OG1-O 3.33Å
253A91.2Very high97.4Very high43 Ų4311 Ų1136%0.3556%0.064SC..THydrogen-bonded Turntrans-59.3134.4179.200000112.3R138 W255R138-A253 PolarHBondContact NE-O 3.5Å; R138-A253 PolarHBondContact NH1-O 3.43Å; R138-A253 PolarHBondContact NH2-O 3.46Å; A253-W255 VanDerWaalsContact C-N 3.33Å; A253-W255 PolarHBondContact O-N 3.48Å
254G94.9Very high97.3Very high16 Ų1615.6 Ų15.617%0.1659%0.086CC..THydrogen-bonded Turntrans67.828.9175.500000114.3R138 T252 E257 P258R138-G254 PolarHBondContact NH1-O 3.07Å; T252-G254 PolarHBondContact O-N 3.39Å; G254-E257 VanDerWaalsContact CA-OE2 3.31Å; G254-E257 WeakPolarHBondContact CA-OE2 3.33Å; G254-P258 VanDerWaalsContact O-CD 3.26Å; G254-P258 WeakPolarHBondContact O-CD 3.49Å; G254-P258 WeakPolarHBondContact O-CG 3.32Å
255W97.8Very high97.3Very high0 Ų020.8 Ų20.80%011%0.11CC..  trans-75.9-31.4178.676.8-81.8000112.7I154 I156 H178 T179 F245 F251 T252 A253 V259 V331 S374 V376I154-W255 HydrophobicContact CD1-CH2 4.07Å; I156-W255 HydrophobicContact CD1-CH2 4.17Å; I156-W255 HydrophobicContact CD1-CZ2 3.8Å; H178-W255 VanDerWaalsContact O-CD1 3.29Å; H178-W255 PolarHBondContact O-NE1 3.36Å; T179-W255 WeakPolarHBondContact OG1-CZ2 3.42Å; T179-W255 PolarHBondContact OG1-NE1 2.99Å; T179-W255 VanDerWaalsContact OG1-NE1 3.12Å; F245-W255 HydrophobicContact CE1-CZ3 4.34Å; F245-W255 HydrophobicContact CE2-CH2 4.07Å; F245-W255 HydrophobicContact CE2-CZ3 4.38Å; F245-W255 AromaticContact CZ-CH2 3.71Å; F245-W255 HydrophobicContact CZ-CH2 3.71Å; F245-W255 AromaticContact CZ-CZ3 3.59Å; F245-W255 HydrophobicContact CZ-CZ3 3.59Å; F251-W255 HydrophobicContact CB-CG 4.44Å; F251-W255 AromaticContact CD1-CD2 3.51Å; F251-W255 HydrophobicContact CD1-CD2 3.51Å; F251-W255 AromaticContact CD1-CE2 3.23Å; F251-W255 AromaticContact CD1-CE3 3.99Å; F251-W255 HydrophobicContact CD1-CE3 3.99Å; F251-W255 HydrophobicContact CD1-CG 4.02Å; F251-W255 AromaticContact CD1-CH2 3.94Å; F251-W255 HydrophobicContact CD1-CH2 3.94Å; F251-W255 AromaticContact CD1-CZ2 3.46Å; F251-W255 HydrophobicContact CD1-CZ2 3.46Å; F251-W255 VanDerWaalsContact CD1-CZ2 3.46Å; F251-W255 HydrophobicContact CD1-CZ3 4.19Å; F251-W255 AromaticContact CD1-NE1 3.59Å; F251-W255 HydrophobicContact CE1-CD2 4.11Å; F251-W255 AromaticContact CE1-CE2 3.76Å; F251-W255 HydrophobicContact CE1-CE3 4.17Å; F251-W255 AromaticContact CE1-CH2 3.56Å; F251-W255 HydrophobicContact CE1-CH2 3.56Å; F251-W255 AromaticContact CE1-CZ2 3.48Å; F251-W255 HydrophobicContact CE1-CZ2 3.48Å; F251-W255 VanDerWaalsContact CE1-CZ2 3.48Å; F251-W255 AromaticContact CE1-CZ3 3.93Å; F251-W255 HydrophobicContact CE1-CZ3 3.93Å; F251-W255 HydrophobicContact CG-CZ2 4.44Å; T252-W255 WeakPolarHBondContact O-CB 3.34Å; T252-W255 PolarHBondContact O-N 3.17Å; A253-W255 VanDerWaalsContact C-N 3.33Å; A253-W255 PolarHBondContact O-N 3.48Å; W255-V259 WeakPolarHBondContact O-CG2 3.48Å; W255-V331 HydrophobicContact CZ3-CG2 4.4Å; W255-S374 VanDerWaalsContact O-CB 3.25Å; W255-S374 WeakPolarHBondContact O-CB 3.37Å; W255-S374 PolarHBondContact O-OG 2.99Å; W255-V376 HydrophobicContact CE3-CG2 4.43Å
256A98.2Very high97.3Very high0 Ų023.9 Ų23.90%013%0.127CC..Hα-helixtrans-82.3-42.8-167.400000112.5T179 V259 L260T179-A256 HydrophobicContact CG2-CB 4.02Å; A256-V259 WeakPolarHBondContact O-CB 3.39Å; A256-V259 PolarHBondContact O-N 2.83Å; A256-V259 VanDerWaalsContact O-N 3.1Å; A256-L260 HydrophobicContact CB-CD1 4.38Å; A256-L260 VanDerWaalsContact O-CG 3.3Å; A256-L260 WeakPolarHBondContact O-CG 3.15Å; A256-L260 PolarHBondContact O-N 3.36Å
257E98.2Very high97.5Very high46 Ų4627.1 Ų27.122%0.21514%0.137CC..Hα-helixtrans-59.6-45.5-174.1-55.491.9137.600113.1Y147 L151 P180 L183 G254 V259 L260 S261Y147-E257 HydrophobicContact CD2-CB 3.71Å; Y147-E257 HydrophobicContact CE2-CB 4.46Å; Y147-E257 HydrophobicContact CG-CB 3.83Å; L151-E257 HydrophobicContact CD1-CB 4.08Å; L151-E257 HydrophobicContact CD1-CG 4.4Å; P180-E257 HydrophobicContact CG-CG 4.32Å; P180-E257 VanDerWaalsContact CG-OE1 3.3Å; P180-E257 WeakPolarHBondContact CG-OE1 3.23Å; L183-E257 HydrophobicContact CD1-CG 4.04Å; G254-E257 VanDerWaalsContact CA-OE2 3.31Å; G254-E257 WeakPolarHBondContact CA-OE2 3.33Å; E257-V259 VanDerWaalsContact C-N 3.31Å; E257-V259 PolarHBondContact O-N 2.8Å; E257-L260 PolarHBondContact O-N 3.13Å; E257-S261 VanDerWaalsContact O-CB 3.3Å; E257-S261 WeakPolarHBondContact O-CB 3.16Å; E257-S261 PolarHBondContact O-N 3.43Å
258P98.2Very high97.6Very high4 Ų430.8 Ų30.83%0.02615%0.153CC..Hα-helixtrans-58.8-42.3173.6-17.426.9000112.3Y147 G254 R262 L371 C373Y147-P258 HydrophobicContact CE1-CB 4.1Å; Y147-P258 HydrophobicContact CE1-CG 4.36Å; Y147-P258 HydrophobicContact CE2-CB 4.39Å; Y147-P258 HydrophobicContact CE2-CG 3.76Å; Y147-P258 WeakPolarHBondContact OH-CB 3.49Å; Y147-P258 WeakPolarHBondContact OH-CG 3.38Å; G254-P258 VanDerWaalsContact O-CD 3.26Å; G254-P258 WeakPolarHBondContact O-CD 3.49Å; G254-P258 WeakPolarHBondContact O-CG 3.32Å; P258-R262 VanDerWaalsContact O-CG 3.26Å; P258-R262 WeakPolarHBondContact O-CG 3.48Å; P258-R262 PolarHBondContact O-N 2.86Å; P258-R262 VanDerWaalsContact O-N 3.16Å; P258-L371 HydrophobicContact CB-CD1 4.47Å; P258-C373 HydrophobicContact CB-CB 4.16Å; P258-C373 HydrophobicContact CG-CB 4.16Å; P258-C373 WeakPolarHBondContact CG-O 3.35Å
259V98.6Very high97.7Very high0 Ų032.1 Ų32.10%016%0.158CC..Hα-helixtrans-64.3-49.1-179172.60000110.8W255 A256 E257 R262 I263 I271 V331 L371 S374W255-V259 WeakPolarHBondContact O-CG2 3.48Å; A256-V259 WeakPolarHBondContact O-CB 3.39Å; A256-V259 PolarHBondContact O-N 2.83Å; A256-V259 VanDerWaalsContact O-N 3.1Å; E257-V259 VanDerWaalsContact C-N 3.31Å; E257-V259 PolarHBondContact O-N 2.8Å; V259-R262 PolarHBondContact O-N 2.99Å; V259-I263 HydrophobicContact CG1-CD1 4.08Å; V259-I263 WeakPolarHBondContact O-CG1 3.33Å; V259-I263 PolarHBondContact O-N 2.9Å; V259-I263 VanDerWaalsContact O-N 3.14Å; V259-I271 HydrophobicContact CB-CG2 4.1Å; V259-I271 HydrophobicContact CG1-CB 3.98Å; V259-I271 HydrophobicContact CG1-CG2 3.76Å; V259-I271 HydrophobicContact CG2-CG2 3.77Å; V259-V331 HydrophobicContact CG1-CB 3.56Å; V259-V331 HydrophobicContact CG1-CG1 3.54Å; V259-V331 HydrophobicContact CG1-CG2 3.9Å; V259-L371 HydrophobicContact CG2-CD1 4.16Å; V259-S374 WeakPolarHBondContact CG2-OG 3.48Å
260L98.8Very high97.7Very high0 Ų032 Ų320%016%0.157CC..Hα-helixtrans-67.4-38.2-177.6-64.3172.3000111.8L151 P152 I154 L183 V241 A256 E257 R262 I263 Q264L151-L260 HydrophobicContact CB-CB 4.17Å; L151-L260 HydrophobicContact CD1-CB 4.22Å; L151-L260 HydrophobicContact CD2-CB 4.36Å; L151-L260 HydrophobicContact CG-CB 4.5Å; P152-L260 HydrophobicContact CG-CB 4.44Å; P152-L260 HydrophobicContact CG-CD2 4.37Å; P152-L260 WeakPolarHBondContact O-CD1 3.43Å; I154-L260 HydrophobicContact CB-CD2 4.1Å; L183-L260 HydrophobicContact CB-CD1 4.08Å; L183-L260 HydrophobicContact CD1-CD1 3.94Å; L183-L260 HydrophobicContact CG-CD1 4.42Å; V241-L260 HydrophobicContact CB-CD2 3.91Å; V241-L260 HydrophobicContact CG1-CD2 3.86Å; V241-L260 HydrophobicContact CG2-CD2 3.91Å; A256-L260 HydrophobicContact CB-CD1 4.38Å; A256-L260 VanDerWaalsContact O-CG 3.3Å; A256-L260 WeakPolarHBondContact O-CG 3.15Å; A256-L260 PolarHBondContact O-N 3.36Å; E257-L260 PolarHBondContact O-N 3.13Å; L260-R262 PolarHBondContact O-N 2.99Å; L260-I263 PolarHBondContact O-N 3.36Å; L260-Q264 WeakPolarHBondContact O-CB 3.35Å; L260-Q264 PolarHBondContact O-N 2.92Å
261S98.4Very high97.7Very high21 Ų2131.9 Ų31.915%0.14716%0.156CC..Hα-helixtrans-58.2-47.5173.6-170.70000111.2E257 I263 Q264 E265E257-S261 VanDerWaalsContact O-CB 3.3Å; E257-S261 WeakPolarHBondContact O-CB 3.16Å; E257-S261 PolarHBondContact O-N 3.43Å; S261-I263 VanDerWaalsContact C-N 3.34Å; S261-I263 PolarHBondContact O-N 3.32Å; S261-Q264 PolarHBondContact O-N 2.94Å; S261-E265 WeakPolarHBondContact O-CG 3.5Å; S261-E265 PolarHBondContact O-N 3.38Å
262R98.2Very high97.7Very high55 Ų5532 Ų3221%0.20816%0.157CC..Hα-helixtrans-63.3-38.9-180-67.2-62.2-67.1-172.9-4.5112.8P258 V259 L260 E265 N266 R269 I271 E369 L371P258-R262 VanDerWaalsContact O-CG 3.26Å; P258-R262 WeakPolarHBondContact O-CG 3.48Å; P258-R262 PolarHBondContact O-N 2.86Å; P258-R262 VanDerWaalsContact O-N 3.16Å; V259-R262 PolarHBondContact O-N 2.99Å; L260-R262 PolarHBondContact O-N 2.99Å; R262-E265 IonicContact CZ-OE2 3.69Å; R262-E265 IonicContact NH1-OE2 3.35Å; R262-E265 PolarHBondContact NH1-OE2 3.44Å; R262-N266 PolarHBondContact O-N 2.92Å; R262-R269 WeakPolarHBondContact O-CD 3.3Å; R262-R269 PolarHBondContact O-NH1 3.32Å; R262-I271 HydrophobicContact CB-CD1 3.8Å; R262-I271 HydrophobicContact CB-CG1 4.15Å; R262-E369 IonicContact CZ-OE1 3.86Å; R262-E369 IonicContact CZ-OE2 2.89Å; R262-E369 VanDerWaalsContact CZ-OE2 3.29Å; R262-E369 IonicContact NE-OE2 3.72Å; R262-E369 PolarHBondContact NE-OE2 3Å; R262-E369 IonicContact NH2-OE1 2.98Å; R262-E369 PolarHBondContact NH2-OE1 2.86Å; R262-E369 IonicContact NH2-OE2 2.9Å; R262-E369 PolarHBondContact NH2-OE2 3.25Å; R262-L371 HydrophobicContact CB-CD1 4.42Å; R262-L371 HydrophobicContact CG-CD1 3.8Å; R262-L371 HydrophobicContact CG-CD2 4.16Å
263I98.7Very high97.9Very high3 Ų331.9 Ų31.92%0.01516%0.156CC..Hα-helixtrans-73.5-34.6177.7-65.5172.6000111.5V241 V259 L260 S261 N266 R267 I271 V331 N333V241-I263 HydrophobicContact CG1-CD1 3.81Å; V241-I263 HydrophobicContact CG2-CG2 3.91Å; V259-I263 HydrophobicContact CG1-CD1 4.08Å; V259-I263 WeakPolarHBondContact O-CG1 3.33Å; V259-I263 PolarHBondContact O-N 2.9Å; V259-I263 VanDerWaalsContact O-N 3.14Å; L260-I263 PolarHBondContact O-N 3.36Å; S261-I263 VanDerWaalsContact C-N 3.34Å; S261-I263 PolarHBondContact O-N 3.32Å; I263-N266 CarbonylContact O-C 3.53Å; I263-N266 PolarHBondContact O-N 3.15Å; I263-R267 VanDerWaalsContact O-CA 3.29Å; I263-R267 WeakPolarHBondContact O-CA 3.44Å; I263-R267 PolarHBondContact O-N 3.46Å; I263-I271 HydrophobicContact CD1-CB 4.42Å; I263-I271 HydrophobicContact CD1-CG1 4.05Å; I263-I271 HydrophobicContact CG1-CG1 3.65Å; I263-V331 HydrophobicContact CD1-CB 4.27Å; I263-V331 HydrophobicContact CD1-CG1 3.76Å; I263-N333 HydrophobicContact CG2-CB 3.94Å
264Q98.2Very high98.2Very high96 Ų9630 Ų3045%0.44914%0.141SC..Hα-helixtrans-64.1-43.6175.2-173.7-179.157.400111.3D150 P152 L260 S261 N266D150-Q264 PolarHBondContact O-NE2 2.04Å; P152-Q264 HydrophobicContact CG-CB 4.41Å; L260-Q264 WeakPolarHBondContact O-CB 3.35Å; L260-Q264 PolarHBondContact O-N 2.92Å; S261-Q264 PolarHBondContact O-N 2.94Å; Q264-N266 VanDerWaalsContact C-N 3.32Å; Q264-N266 PolarHBondContact O-N 3.48Å
265E98.1Very high98.2Very high110 Ų11030 Ų3051%0.51414%0.136SC..Hα-helixtrans-59.7-40.9174.5-73.9167.3-153.300112.5S261 R262 R269S261-E265 WeakPolarHBondContact O-CG 3.5Å; S261-E265 PolarHBondContact O-N 3.38Å; R262-E265 IonicContact CZ-OE2 3.69Å; R262-E265 IonicContact NH1-OE2 3.35Å; R262-E265 PolarHBondContact NH1-OE2 3.44Å; E265-R269 VanDerWaalsContact CB-NH1 3.34Å; E265-R269 IonicContact OE2-CZ 2.67Å; E265-R269 IonicContact OE2-NH1 3.59Å; E265-R269 PolarHBondContact OE2-NH1 2.88Å; E265-R269 IonicContact OE2-NH2 3.32Å
266N98.5Very high98.2Very high65 Ų6530 Ų3035%0.34814%0.136SC..  trans-148.2105.7176-177.3-9000110.9R262 I263 Q264 K268 R269R262-N266 PolarHBondContact O-N 2.92Å; I263-N266 CarbonylContact O-C 3.53Å; I263-N266 PolarHBondContact O-N 3.15Å; Q264-N266 VanDerWaalsContact C-N 3.32Å; Q264-N266 PolarHBondContact O-N 3.48Å; N266-K268 PolarHBondContact O-N 3.41Å; N266-K268 WeakPolarHBondContact OD1-CB 3.43Å; N266-K268 PolarHBondContact OD1-N 3.17Å; N266-R269 HydrophobicContact CB-CG 4.06Å; N266-R269 WeakPolarHBondContact O-CB 3.32Å; N266-R269 PolarHBondContact O-N 3.24Å
267R98.4Very high98.2Very high93 Ų9330.5 Ų30.535%0.35114%0.139SC..THydrogen-bonded Turntrans-60-14.7-178.175.3172.9-167.584.4-5114.8I263 N333 F336 E339I263-R267 VanDerWaalsContact O-CA 3.29Å; I263-R267 WeakPolarHBondContact O-CA 3.44Å; I263-R267 PolarHBondContact O-N 3.46Å; R267-N333 HydrophobicContact CB-CB 4.15Å; R267-N333 WeakPolarHBondContact O-CB 3.22Å; R267-F336 WeakPolarHBondContact O-CB 3.39Å; R267-E339 IonicContact CZ-OE1 3.47Å; R267-E339 IonicContact CZ-OE2 2.8Å; R267-E339 VanDerWaalsContact CZ-OE2 3.24Å; R267-E339 IonicContact NH1-OE1 3.54Å; R267-E339 PolarHBondContact NH1-OE1 3.38Å; R267-E339 IonicContact NH1-OE2 3.02Å; R267-E339 PolarHBondContact NH1-OE2 3.24Å; R267-E339 IonicContact NH2-OE1 3.44Å; R267-E339 PolarHBondContact NH2-OE1 3.45Å; R267-E339 IonicContact NH2-OE2 2.66Å; R267-E339 PolarHBondContact NH2-OE2 3.04Å
268K98.7Very high98.1Very high77 Ų7728.3 Ų28.334%0.33513%0.129SC..THydrogen-bonded Turntrans-93.88.9179.5-57.4-169.2175.2-175.20113.4N266 F336 G365 G366 S367N266-K268 PolarHBondContact O-N 3.41Å; N266-K268 WeakPolarHBondContact OD1-CB 3.43Å; N266-K268 PolarHBondContact OD1-N 3.17Å; K268-F336 HydrophobicContact CB-CD2 4.18Å; K268-F336 HydrophobicContact CB-CE1 4.24Å; K268-F336 HydrophobicContact CB-CE2 3.89Å; K268-F336 HydrophobicContact CB-CG 4.48Å; K268-F336 HydrophobicContact CB-CZ 3.92Å; K268-F336 HydrophobicContact CD-CD2 4.41Å; K268-F336 HydrophobicContact CD-CE2 4.07Å; K268-F336 HydrophobicContact CG-CD2 3.79Å; K268-F336 HydrophobicContact CG-CE2 3.78Å; K268-F336 HydrophobicContact CG-CG 4.36Å; K268-F336 HydrophobicContact CG-CZ 4.34Å; K268-F336 WeakPolarHBondContact O-CE1 3.47Å; K268-G365 WeakPolarHBondContact CD-O 3.19Å; K268-G366 WeakPolarHBondContact O-CA 3.41Å; K268-S367 PolarHBondContact O-N 3.09Å; K268-S367 VanDerWaalsContact O-N 3.1Å
269R98.7Very high98.1Very high40 Ų4030.9 Ų30.915%0.15114%0.14CC..EExtended strand (participates in β ladder)trans-83.4133.1169.2-71.2174.7-179151.5-1.9110.3R262 E265 N266 I271 S367 E369R262-R269 WeakPolarHBondContact O-CD 3.3Å; R262-R269 PolarHBondContact O-NH1 3.32Å; E265-R269 VanDerWaalsContact CB-NH1 3.34Å; E265-R269 IonicContact OE2-CZ 2.67Å; E265-R269 IonicContact OE2-NH1 3.59Å; E265-R269 PolarHBondContact OE2-NH1 2.88Å; E265-R269 IonicContact OE2-NH2 3.32Å; N266-R269 HydrophobicContact CB-CG 4.06Å; N266-R269 WeakPolarHBondContact O-CB 3.32Å; N266-R269 PolarHBondContact O-N 3.24Å; R269-I271 HydrophobicContact CB-CD1 3.92Å; R269-I271 HydrophobicContact CB-CG1 4.4Å; R269-S367 WeakPolarHBondContact CA-O 3.46Å; R269-S367 WeakPolarHBondContact CG-OG 3.15Å; R269-E369 IonicContact NE-OE1 2.8Å; R269-E369 PolarHBondContact NE-OE1 3.13Å
270V98.6Very high98Very high0 Ų032.7 Ų32.70%015%0.148CC..EExtended strand (participates in β ladder)trans-101.9123163-177.20000107.4F330 V332 F336 V361 S367 M368 E369V270-F330 HydrophobicContact CG1-CB 4.1Å; V270-F330 HydrophobicContact CG1-CD2 3.91Å; V270-F330 HydrophobicContact CG1-CG 4.45Å; V270-V332 HydrophobicContact CG1-CB 4.42Å; V270-V332 HydrophobicContact CG2-CB 4.23Å; V270-V332 HydrophobicContact CG2-CG2 3.78Å; V270-F336 HydrophobicContact CG2-CE1 4.2Å; V270-V361 HydrophobicContact CG2-CG1 4Å; V270-V361 HydrophobicContact CG2-CG2 3.66Å; V270-S367 PolarHBondContact N-O 3.35Å; V270-M368 HydrophobicContact CB-CE 4.03Å; V270-M368 HydrophobicContact CB-CG 4.21Å; V270-M368 HydrophobicContact CG1-CE 3.71Å; V270-M368 WeakPolarHBondContact O-CA 3.01Å; V270-E369 PolarHBondContact O-N 2.79Å; V270-E369 VanDerWaalsContact O-N 3.15Å
271I98.6Very high97.8Very high0 Ų036.1 Ų36.10%017%0.166CC..EExtended strand (participates in β ladder)trans-108132.7-171.4-61.1-55.9000109.9V259 R262 I263 R269 F330 V331 E369 L371V259-I271 HydrophobicContact CB-CG2 4.1Å; V259-I271 HydrophobicContact CG1-CB 3.98Å; V259-I271 HydrophobicContact CG1-CG2 3.76Å; V259-I271 HydrophobicContact CG2-CG2 3.77Å; R262-I271 HydrophobicContact CB-CD1 3.8Å; R262-I271 HydrophobicContact CB-CG1 4.15Å; I263-I271 HydrophobicContact CD1-CB 4.42Å; I263-I271 HydrophobicContact CD1-CG1 4.05Å; I263-I271 HydrophobicContact CG1-CG1 3.65Å; R269-I271 HydrophobicContact CB-CD1 3.92Å; R269-I271 HydrophobicContact CB-CG1 4.4Å; I271-F330 CarbonylContact O-C 3.55Å; I271-F330 WeakPolarHBondContact O-CA 3.34Å; I271-V331 PolarHBondContact N-O 3.47Å; I271-V331 PolarHBondContact O-N 3.11Å; I271-E369 HydrophobicContact CD1-CB 3.99Å; I271-L371 HydrophobicContact CD1-CD1 4.45Å; I271-L371 HydrophobicContact CG2-CD1 3.32Å; I271-L371 HydrophobicContact CG2-CG 3.64Å
272L98.4Very high97.7Very high1 Ų136.6 Ų36.61%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-112119.5175.3-47.7178.7000108H293 T322 M325 S329 F330 M368 E369 V370 L371L272-H293 VanDerWaalsContact CD1-ND1 3.29Å; L272-H293 WeakPolarHBondContact CD1-ND1 3.46Å; L272-T322 HydrophobicContact CD1-CG2 3.86Å; L272-M325 HydrophobicContact CD1-CB 3.44Å; L272-M325 VanDerWaalsContact CD1-CB 3.44Å; L272-M325 HydrophobicContact CD2-CB 3.75Å; L272-M325 HydrophobicContact CD2-CE 4.31Å; L272-M325 HydrophobicContact CD2-SD 4.34Å; L272-M325 HydrophobicContact CG-CB 4.26Å; L272-S329 WeakPolarHBondContact CD2-O 3.29Å; L272-F330 HydrophobicContact CD2-CB 3.44Å; L272-F330 VanDerWaalsContact CD2-CB 3.44Å; L272-M368 HydrophobicContact CD1-CE 4.17Å; L272-M368 HydrophobicContact CD2-CE 3.91Å; L272-M368 HydrophobicContact CG-CE 4.25Å; L272-E369 PolarHBondContact N-O 3.15Å; L272-V370 HydrophobicContact CB-CG2 4.09Å; L272-V370 HydrophobicContact CD1-CG2 3.95Å; L272-V370 CarbonylContact O-C 3.6Å; L272-V370 VanDerWaalsContact O-CA 3.29Å; L272-V370 WeakPolarHBondContact O-CA 3.4Å; L272-L371 PolarHBondContact O-N 2.81Å
273P97.9Very high97.6Very high0 Ų034 Ų340%016%0.157CC..EExtended strand (participates in β ladder)trans-58.6148.8163.6-21.834.4000110.1F245 S374 V376F245-P273 HydrophobicContact CE1-CG 4.41Å; P273-S374 CarbonylContact C-O 3.51Å; P273-S374 WeakPolarHBondContact CA-O 3.48Å; P273-V376 HydrophobicContact CB-CB 4.32Å; P273-V376 HydrophobicContact CB-CG2 3.82Å; P273-V376 HydrophobicContact CG-CG2 4.08Å
274S97.3Very high97.6Very high4 Ų436 Ų363%0.02817%0.167CC..EExtended strand (participates in β ladder)trans-65.7138.9166.6-54.80000109.2N290 L371 P372 S374 R375 V376S274-N290 PolarHBondContact OG-OD1 3.17Å; S274-L371 PolarHBondContact N-O 3.39Å; S274-L371 PolarHBondContact OG-O 2.94Å; S274-P372 WeakPolarHBondContact OG-CA 3.33Å; S274-S374 PolarHBondContact N-O 3.16Å; S274-R375 VanDerWaalsContact O-CA 3.3Å; S274-R375 WeakPolarHBondContact O-CA 3.03Å; S274-V376 PolarHBondContact O-N 3.43Å
275I96.6Very high97.6Very high14 Ų1431.6 Ų31.67%0.07215%0.146CC..EExtended strand (participates in β ladder)trans-101.9120.7-172.4-58.2151.8000108.4Y288 I326 C328 V376 H378I275-Y288 VanDerWaalsContact O-CB 3.26Å; I275-Y288 WeakPolarHBondContact O-CB 3.27Å; I275-I326 HydrophobicContact CD1-CB 3.95Å; I275-I326 HydrophobicContact CD1-CD1 4.33Å; I275-I326 HydrophobicContact CD1-CG2 4.01Å; I275-C328 WeakPolarHBondContact CD1-SG 3.36Å; I275-V376 CarbonylContact C-O 3.59Å; I275-V376 WeakPolarHBondContact CA-O 3.3Å; I275-H378 HydrophobicContact CG2-CB 3.8Å
276D97.3Very high97.5Very high0 Ų029.2 Ų29.20%014%0.136CC..EExtended strand (participates in β ladder)trans-94.2154.9168.2-72.9-48.7000110.3V285 R287 Y288 R375 V376 A377 H378D276-V285 HydrophobicContact CB-CG1 4.44Å; D276-R287 VanDerWaalsContact OD1-CA 3.29Å; D276-R287 WeakPolarHBondContact OD1-CA 3.45Å; D276-Y288 PolarHBondContact OD1-N 3.34Å; D276-R375 IonicContact OD1-CZ 2.66Å; D276-R375 IonicContact OD1-NE 2.77Å; D276-R375 PolarHBondContact OD1-NE 2.96Å; D276-R375 IonicContact OD1-NH2 2.68Å; D276-R375 PolarHBondContact OD1-NH2 2.86Å; D276-R375 IonicContact OD2-CZ 3.19Å; D276-R375 IonicContact OD2-NE 2.75Å; D276-R375 PolarHBondContact OD2-NE 3.33Å; D276-R375 IonicContact OD2-NH2 3.55Å; D276-V376 PolarHBondContact N-O 3.48Å; D276-A377 HydrophobicContact CB-CB 4.08Å; D276-A377 CarbonylContact O-C 3.54Å; D276-A377 WeakPolarHBondContact O-CA 3.48Å; D276-H378 PolarHBondContact O-N 3.36Å
277N96.9Very high97.4Very high11 Ų1132.5 Ų32.56%0.05914%0.143CC..EExtended strand (participates in β ladder)trans-91.5134.2179.8-171.910.9000110.8V285 Q286 Y288 E380N277-V285 CarbonylContact O-C 3.34Å; N277-V285 WeakPolarHBondContact O-CA 3.34Å; N277-Q286 HydrophobicContact CB-CB 4.39Å; N277-Q286 PolarHBondContact N-O 2.99Å; N277-Q286 PolarHBondContact O-N 3.14Å; N277-Y288 HydrophobicContact CB-CD1 3.94Å; N277-Y288 HydrophobicContact CB-CE1 3.49Å; N277-Y288 VanDerWaalsContact CB-CE1 3.49Å; N277-Y288 HydrophobicContact CB-CE2 4.26Å; N277-Y288 PolarHBondContact ND2-OH 3.34Å; N277-E380 PolarHBondContact ND2-OE2 3.42Å; N277-E380 WeakPolarHBondContact OD1-CB 3.44Å
278I98.1Very high97.2Very high0 Ų031.6 Ų31.60%014%0.14CC..EExtended strand (participates in β ladder)trans-103.5112.6162.2-53.6168.2000106.7E250 Q280 F283 E284 V285 A377 H378 I379 E380E250-I278 HydrophobicContact CB-CD1 4.25Å; E250-I278 HydrophobicContact CG-CD1 4.23Å; E250-I278 WeakPolarHBondContact OE1-CD1 3.32Å; I278-Q280 PolarHBondContact O-N 3.47Å; I278-F283 HydrophobicContact CG2-CB 4.3Å; I278-F283 HydrophobicContact CG2-CD1 3.92Å; I278-F283 HydrophobicContact CG2-CG 4.24Å; I278-E284 WeakPolarHBondContact CA-O 3.3Å; I278-V285 HydrophobicContact CG1-CG2 4.39Å; I278-A377 HydrophobicContact CD1-CB 3.77Å; I278-A377 HydrophobicContact CG1-CB 3.58Å; I278-H378 PolarHBondContact N-O 3.27Å; I278-I379 HydrophobicContact CB-CB 4.48Å; I278-I379 HydrophobicContact CB-CG1 3.93Å; I278-I379 HydrophobicContact CD1-CG1 3.91Å; I278-I379 HydrophobicContact CG2-CG1 4.05Å; I278-E380 PolarHBondContact O-N 2.88Å
279K97.1Very high97Very high59 Ų5933.7 Ų33.726%0.25715%0.151SC..EExtended strand (participates in β ladder)trans-58.1125.3176.8-80.5-165.5179.1154.30110.9D281 N282 F283 E284 Q286K279-D281 WeakPolarHBondContact CB-OD1 3.49Å; K279-D281 PolarHBondContact O-N 2.79Å; K279-N282 VanDerWaalsContact CB-OD1 3.27Å; K279-N282 WeakPolarHBondContact CB-OD1 3.46Å; K279-F283 WeakPolarHBondContact O-CA 3.07Å; K279-F283 PolarHBondContact O-N 2.87Å; K279-E284 HydrophobicContact CB-CB 4.27Å; K279-E284 HydrophobicContact CD-CB 4.17Å; K279-E284 HydrophobicContact CG-CB 4.38Å; K279-E284 PolarHBondContact N-O 3.1Å; K279-E284 IonicContact NZ-OE1 2.78Å; K279-E284 IonicContact NZ-OE2 3.48Å; K279-E284 PolarHBondContact NZ-OE2 3.14Å; K279-Q286 HydrophobicContact CG-CG 4.36Å
280Q95.8Very high96.8Very high38 Ų3833 Ų3318%0.17815%0.15CC..THydrogen-bonded Turntrans-63.2-25.9-175.759.278.912.800114.8H115 Y120 N121 I278 I379 E380 K382H115-Q280 PolarHBondContact CE1-OE1 2.83Å; H115-Q280 PolarHBondContact NE2-OE1 3.05Å; Y120-Q280 CarbonylContact C-O 3.43Å; Y120-Q280 WeakPolarHBondContact CA-O 3.3Å; N121-Q280 WeakPolarHBondContact CB-O 3.36Å; N121-Q280 PolarHBondContact N-O 3.07Å; I278-Q280 PolarHBondContact O-N 3.47Å; Q280-I379 HydrophobicContact CB-CG2 4.27Å; Q280-E380 WeakPolarHBondContact CB-O 3.22Å; Q280-E380 WeakPolarHBondContact CG-O 3.42Å; Q280-K382 HydrophobicContact CG-CB 4.48Å
281D94.8Very high96.6Very high71 Ų7134.2 Ų34.238%0.3816%0.159SC..THydrogen-bonded Turntrans-87.2-42-173.259.2-23.3000113N121 L124 K279N121-D281 WeakPolarHBondContact CB-O 3.37Å; N121-D281 PolarHBondContact ND2-O 2.93Å; L124-D281 WeakPolarHBondContact CD2-O 3.44Å; K279-D281 WeakPolarHBondContact CB-OD1 3.49Å; K279-D281 PolarHBondContact O-N 2.79Å
282N96.1Very high96.6Very high31 Ų3134.3 Ų34.317%0.16616%0.159CC..THydrogen-bonded Turntrans-126.21.2-171.471.29.5000114.5P100 A101 K279 E284P100-N282 HydrophobicContact CB-CB 4.27Å; P100-N282 WeakPolarHBondContact CB-ND2 3.27Å; A101-N282 PolarHBondContact N-O 3.16Å; K279-N282 VanDerWaalsContact CB-OD1 3.27Å; K279-N282 WeakPolarHBondContact CB-OD1 3.46Å; N282-E284 PolarHBondContact O-N 3.31Å; N282-E284 WeakPolarHBondContact OD1-CB 3.26Å; N282-E284 PolarHBondContact OD1-N 3.49Å
283F97.3Very high96.5Very high0 Ų034.4 Ų34.40%016%0.16CC..  trans60.819.5179.5-82.5-107.9000115.4Y120 N121 L124 I128 R132 V167 I278 K279 I379Y120-F283 HydrophobicContact CD2-CZ 4.23Å; N121-F283 HydrophobicContact CB-CE2 4.41Å; N121-F283 VanDerWaalsContact O-CE2 3.27Å; N121-F283 WeakPolarHBondContact O-CE2 3.36Å; L124-F283 HydrophobicContact CD2-CD2 4.32Å; L124-F283 HydrophobicContact CG-CD2 4.49Å; I128-F283 HydrophobicContact CD1-CB 3.44Å; I128-F283 VanDerWaalsContact CD1-CB 3.44Å; I128-F283 HydrophobicContact CD1-CD1 4.21Å; I128-F283 HydrophobicContact CD1-CD2 4.29Å; I128-F283 HydrophobicContact CD1-CG 3.74Å; R132-F283 PolarHBondContact NH1-O 3.28Å; R132-F283 PolarHBondContact NH2-O 3.3Å; V167-F283 HydrophobicContact CG2-CZ 4.31Å; I278-F283 HydrophobicContact CG2-CB 4.3Å; I278-F283 HydrophobicContact CG2-CD1 3.92Å; I278-F283 HydrophobicContact CG2-CG 4.24Å; K279-F283 WeakPolarHBondContact O-CA 3.07Å; K279-F283 PolarHBondContact O-N 2.87Å; F283-I379 HydrophobicContact CE1-CD1 3.66Å; F283-I379 HydrophobicContact CZ-CD1 3.82Å
284E97.8Very high96.4Very high46 Ų4634.4 Ų34.422%0.21516%0.16CC..  trans-62.4131.9170.3-177.4-169.3157.700110.5G98 P100 I278 K279 N282 Q286G98-E284 WeakPolarHBondContact O-CA 3.41Å; P100-E284 HydrophobicContact CB-CB 4.11Å; I278-E284 WeakPolarHBondContact CA-O 3.3Å; K279-E284 HydrophobicContact CB-CB 4.27Å; K279-E284 HydrophobicContact CD-CB 4.17Å; K279-E284 HydrophobicContact CG-CB 4.38Å; K279-E284 PolarHBondContact N-O 3.1Å; K279-E284 IonicContact NZ-OE1 2.78Å; K279-E284 IonicContact NZ-OE2 3.48Å; K279-E284 PolarHBondContact NZ-OE2 3.14Å; N282-E284 PolarHBondContact O-N 3.31Å; N282-E284 WeakPolarHBondContact OD1-CB 3.26Å; N282-E284 PolarHBondContact OD1-N 3.49Å; E284-Q286 HydrophobicContact CG-CG 4.12Å; E284-Q286 PolarHBondContact OE1-NE2 3.4Å
285V98Very high96.3Very high3 Ų334.2 Ų34.22%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-92.9110.7176.7-172.70000109.6G98 I134 Y137 D276 N277 I278 A377G98-V285 PolarHBondContact O-N 2.95Å; I134-V285 HydrophobicContact CB-CG2 4.25Å; I134-V285 HydrophobicContact CG2-CG2 3.87Å; Y137-V285 HydrophobicContact CE2-CG1 4.07Å; Y137-V285 PolarHBondContact OH-O 3.22Å; D276-V285 HydrophobicContact CB-CG1 4.44Å; N277-V285 CarbonylContact O-C 3.34Å; N277-V285 WeakPolarHBondContact O-CA 3.34Å; I278-V285 HydrophobicContact CG1-CG2 4.39Å; V285-A377 HydrophobicContact CG1-CB 3.91Å
286Q97Very high96.3Very high61 Ų6133.9 Ų33.929%0.28516%0.158SC..EExtended strand (participates in β ladder)trans-103.9131.2-179.4-60.1-158-42.400111.7N277 K279 E284 Y288N277-Q286 HydrophobicContact CB-CB 4.39Å; N277-Q286 PolarHBondContact N-O 2.99Å; N277-Q286 PolarHBondContact O-N 3.14Å; K279-Q286 HydrophobicContact CG-CG 4.36Å; E284-Q286 HydrophobicContact CG-CG 4.12Å; E284-Q286 PolarHBondContact OE1-NE2 3.4Å; Q286-Y288 PolarHBondContact O-N 2.73Å
287R96.1Very high96.2Very high133 Ų13334 Ų3450%0.50216%0.158SC..PPolyproline II helixtrans-66.5124.3175-172-178.281.7173.43.5110.2Y137 D276 E289Y137-R287 HydrophobicContact CD1-CB 3.92Å; Y137-R287 HydrophobicContact CD1-CG 4.2Å; Y137-R287 HydrophobicContact CD2-CB 3.73Å; Y137-R287 HydrophobicContact CD2-CG 4.11Å; Y137-R287 HydrophobicContact CE1-CB 4.06Å; Y137-R287 HydrophobicContact CE2-CB 3.85Å; Y137-R287 HydrophobicContact CG-CB 3.76Å; Y137-R287 HydrophobicContact CG-CG 3.82Å; D276-R287 VanDerWaalsContact OD1-CA 3.29Å; D276-R287 WeakPolarHBondContact OD1-CA 3.45Å; R287-E289 IonicContact CZ-OE1 2.7Å; R287-E289 IonicContact NE-OE1 3.8Å; R287-E289 PolarHBondContact NE-OE1 3.09Å; R287-E289 IonicContact NH2-OE1 2.63Å; R287-E289 PolarHBondContact NH2-OE1 3.16Å; R287-E289 IonicContact NH2-OE2 3.58Å
288Y95.1Very high96.1Very high74 Ų7434.9 Ų34.929%0.2916%0.162SC..PPolyproline II helixtrans-95.7143.2164.7-88.219.4000110.8I275 D276 N277 Q286 Y303 R375I275-Y288 VanDerWaalsContact O-CB 3.26Å; I275-Y288 WeakPolarHBondContact O-CB 3.27Å; D276-Y288 PolarHBondContact OD1-N 3.34Å; N277-Y288 HydrophobicContact CB-CD1 3.94Å; N277-Y288 HydrophobicContact CB-CE1 3.49Å; N277-Y288 VanDerWaalsContact CB-CE1 3.49Å; N277-Y288 HydrophobicContact CB-CE2 4.26Å; N277-Y288 PolarHBondContact ND2-OH 3.34Å; Q286-Y288 PolarHBondContact O-N 2.73Å; Y288-Y303 HydrophobicContact CD2-CE2 4.46Å; Y288-Y303 HydrophobicContact CE2-CE2 4.42Å; Y288-R375 PolarHBondContact O-NH2 3.11Å
289E94.6Very high96Very high122 Ų12235.2 Ų35.257%0.5716%0.163SC*.PPolyproline II helixtrans-69.1146.7178.2-65.8-55.3141.800111.5R287 S291R287-E289 IonicContact CZ-OE1 2.7Å; R287-E289 IonicContact NE-OE1 3.8Å; R287-E289 PolarHBondContact NE-OE1 3.09Å; R287-E289 IonicContact NH2-OE1 2.63Å; R287-E289 PolarHBondContact NH2-OE1 3.16Å; R287-E289 IonicContact NH2-OE2 3.58Å; E289-S291 PolarHBondContact O-N 3.39Å; E289-S291 PolarHBondContact O-OG 3.12Å
290N93.4Very high95.8Very high24 Ų2437.3 Ų37.313%0.12817%0.17CC..PPolyproline II helixtrans-64.2125179.9-61.3-38.2000109.9S274 I320 P372 R375S274-N290 PolarHBondContact OG-OD1 3.17Å; N290-I320 HydrophobicContact CB-CD1 3.63Å; N290-P372 HydrophobicContact CB-CG 4.31Å; N290-R375 PolarHBondContact OD1-NH1 3.02Å
291S95.5Very high95.7Very high27 Ų2737.5 Ų37.519%0.18918%0.175CC..  trans-136.5151.4-174.7-61.30000109.6E289E289-S291 PolarHBondContact O-N 3.39Å; E289-S291 PolarHBondContact O-OG 3.12Å
292A96.9Very high95.7Very high1 Ų136.1 Ų36.11%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-79.416816000000109.1I304 I320A292-I304 HydrophobicContact CB-CD1 4.13Å; A292-I304 HydrophobicContact CB-CG1 3.7Å; A292-I304 PolarHBondContact N-O 2.66Å; A292-I304 PolarHBondContact O-N 3.31Å; A292-I320 HydrophobicContact CB-CG2 3.72Å
293H96.6Very high95.6Very high4 Ų439 Ų392%0.01918%0.176CC..EExtended strand (participates in β ladder)trans-115.2123.1177.9-52.9149.2000110.1L272 M302 Y303 T322 P323 A324 I326L272-H293 VanDerWaalsContact CD1-ND1 3.29Å; L272-H293 WeakPolarHBondContact CD1-ND1 3.46Å; H293-M302 WeakPolarHBondContact CA-O 3.45Å; H293-Y303 AromaticContact CD2-CD1 3.75Å; H293-Y303 AromaticContact CD2-CE1 3.91Å; H293-Y303 AromaticContact NE2-CE1 3.72Å; H293-T322 WeakPolarHBondContact CA-OG1 3.49Å; H293-T322 WeakPolarHBondContact CB-OG1 3.48Å; H293-T322 PolarHBondContact N-OG1 2.97Å; H293-T322 PolarHBondContact O-OG1 3.42Å; H293-P323 WeakPolarHBondContact O-CD 3.48Å; H293-P323 VanDerWaalsContact O-CG 3.22Å; H293-P323 WeakPolarHBondContact O-CG 3.39Å; H293-A324 WeakPolarHBondContact CB-O 3.4Å; H293-A324 PolarHBondContact O-N 2.98Å; H293-I326 HydrophobicContact CB-CG1 4.32Å; H293-I326 PolarHBondContact ND1-N 3.03Å
294G96Very high95.4Very high0 Ų040.4 Ų40.40%018%0.183CC..EExtended strand (participates in β ladder)trans-114.3-169175.200000111.8C301 M302G294-C301 WeakPolarHBondContact O-CA 3.41Å; G294-M302 PolarHBondContact N-O 2.86Å; G294-M302 PolarHBondContact O-N 3.35Å
295Y96.4Very high95.3Very high0 Ų041.3 Ų41.30%020%0.195CC..EExtended strand (participates in β ladder)trans-153.8160.8173.961.6-78.2000112.9L299 W300 A324 I355 I359 M406 F446 Y449 Y454 M457Y295-L299 HydrophobicContact CD2-CD2 3.76Å; Y295-L299 HydrophobicContact CE2-CD2 3.82Å; Y295-W300 CarbonylContact C-O 3.52Å; Y295-W300 WeakPolarHBondContact CA-O 3.41Å; Y295-W300 WeakPolarHBondContact CB-O 3.44Å; Y295-A324 HydrophobicContact CD1-CB 3.68Å; Y295-A324 HydrophobicContact CE1-CB 4.28Å; Y295-I355 HydrophobicContact CD1-CD1 4.25Å; Y295-I355 HydrophobicContact CD1-CG2 3.91Å; Y295-I355 HydrophobicContact CD2-CG2 3.62Å; Y295-I355 HydrophobicContact CE1-CG2 4.07Å; Y295-I355 HydrophobicContact CE2-CG2 3.82Å; Y295-I355 HydrophobicContact CG-CD1 4.01Å; Y295-I355 HydrophobicContact CG-CG1 4.35Å; Y295-I355 HydrophobicContact CG-CG2 3.7Å; Y295-I359 HydrophobicContact CE2-CD1 4.48Å; Y295-M406 HydrophobicContact CE2-CE 4.4Å; Y295-F446 WeakPolarHBondContact OH-CZ 3.46Å; Y295-Y449 HydrophobicContact CE1-CE1 4.23Å; Y295-Y449 WeakPolarHBondContact CE1-OH 3.24Å; Y295-Y449 VanDerWaalsContact OH-CE1 3.3Å; Y295-Y449 WeakPolarHBondContact OH-CE1 3.5Å; Y295-Y454 HydrophobicContact CD1-CD1 4.1Å; Y295-Y454 AromaticContact CD1-CE1 3.72Å; Y295-Y454 HydrophobicContact CD1-CE1 3.72Å; Y295-Y454 AromaticContact CE1-CD1 3.6Å; Y295-Y454 HydrophobicContact CE1-CD1 3.6Å; Y295-Y454 AromaticContact CE1-CE1 3.69Å; Y295-Y454 HydrophobicContact CE1-CE1 3.69Å; Y295-Y454 HydrophobicContact CG-CE1 4.33Å; Y295-Y454 PolarHBondContact N-OH 3.08Å; Y295-Y454 PolarHBondContact O-OH 3.42Å; Y295-Y454 VanDerWaalsContact O-OH 3.13Å; Y295-M457 HydrophobicContact CD2-CE 3.81Å; Y295-M457 HydrophobicContact CE2-CE 3.38Å; Y295-M457 HydrophobicContact CE2-SD 3.94Å
296S95.1Very high95.2Very high7 Ų741.5 Ų41.55%0.04920%0.196CC..  trans-89.3170.8170.677.10000111.9E298 L299 W300S296-E298 WeakPolarHBondContact CB-OE2 3.36Å; S296-E298 PolarHBondContact O-N 3.12Å; S296-E298 PolarHBondContact OG-N 2.84Å; S296-E298 PolarHBondContact OG-OE2 3.25Å; S296-L299 WeakPolarHBondContact O-CA 3.41Å; S296-L299 PolarHBondContact O-N 2.76Å; S296-W300 PolarHBondContact N-O 2.97Å
297W95.8Very high95Very high1 Ų140.1 Ų40.10%0.00419%0.192CC..THydrogen-bonded Turntrans-69.5-16.3177.9-74.9107.3000114.4L299 M406 Y409 H412 V413 A416 F446 L450 M457 R458 Y460 L515W297-L299 PolarHBondContact O-N 2.94Å; W297-M406 HydrophobicContact CZ3-SD 4.35Å; W297-Y409 HydrophobicContact CH2-CD1 4.08Å; W297-Y409 HydrophobicContact CH2-CG 4.46Å; W297-H412 HydrophobicContact CB-CB 4.47Å; W297-H412 HydrophobicContact CD2-CB 3.35Å; W297-H412 AromaticContact CE2-CD2 3.61Å; W297-H412 HydrophobicContact CE3-CB 3.37Å; W297-H412 HydrophobicContact CG-CB 3.88Å; W297-H412 HydrophobicContact CH2-CB 4.07Å; W297-H412 AromaticContact CH2-CD2 3.92Å; W297-H412 HydrophobicContact CZ2-CB 4.09Å; W297-H412 AromaticContact CZ2-CD2 3.46Å; W297-H412 VanDerWaalsContact CZ2-CD2 3.46Å; W297-H412 WeakPolarHBondContact CZ2-CD2 3.32Å; W297-H412 AromaticContact CZ2-CG 3.99Å; W297-H412 HydrophobicContact CZ3-CB 3.73Å; W297-V413 HydrophobicContact CE3-CG2 4.23Å; W297-V413 WeakPolarHBondContact O-CA 3.21Å; W297-V413 WeakPolarHBondContact O-CG2 3.44Å; W297-A416 HydrophobicContact CB-CB 3.75Å; W297-F446 AromaticContact CH2-CE1 3.92Å; W297-F446 HydrophobicContact CH2-CE1 3.92Å; W297-F446 HydrophobicContact CZ3-CE1 4.01Å; W297-F446 HydrophobicContact CZ3-CZ 4.39Å; W297-L450 HydrophobicContact CH2-CD1 4.27Å; W297-L450 HydrophobicContact CH2-CD2 4.43Å; W297-M457 HydrophobicContact CD2-CE 3.37Å; W297-M457 HydrophobicContact CD2-SD 4.48Å; W297-M457 HydrophobicContact CE3-CE 3.61Å; W297-M457 HydrophobicContact CG-CE 3.89Å; W297-M457 HydrophobicContact CH2-CE 3.97Å; W297-M457 HydrophobicContact CH2-SD 3.92Å; W297-M457 HydrophobicContact CZ2-CE 3.72Å; W297-M457 HydrophobicContact CZ2-CG 4.04Å; W297-M457 HydrophobicContact CZ2-SD 3.73Å; W297-M457 HydrophobicContact CZ3-CE 3.91Å; W297-M457 HydrophobicContact CZ3-SD 4.34Å; W297-R458 WeakPolarHBondContact CZ2-O 3.22Å; W297-R458 PolarHBondContact NE1-O 3.28Å; W297-Y460 AromaticContact CD1-CE2 3.56Å; W297-Y460 AromaticContact NE1-CD2 3.93Å; W297-Y460 AromaticContact NE1-CE2 3.67Å; W297-L515 HydrophobicContact CB-CD1 4.29Å
298E94.4Very high94.9Very high31 Ų3141.2 Ų41.215%0.14520%0.2CC..THydrogen-bonded Turntrans-72.4-7.8166.5-58.580.8-179.200112.7S296 W300 A416 W417S296-E298 WeakPolarHBondContact CB-OE2 3.36Å; S296-E298 PolarHBondContact O-N 3.12Å; S296-E298 PolarHBondContact OG-N 2.84Å; S296-E298 PolarHBondContact OG-OE2 3.25Å; E298-W300 VanDerWaalsContact CB-CD1 3.45Å; E298-W300 HydrophobicContact CB-CG 4.32Å; E298-A416 HydrophobicContact CG-CB 3.79Å; E298-W417 HydrophobicContact CB-CZ2 3.94Å; E298-W417 WeakPolarHBondContact O-CZ2 3.34Å; E298-W417 PolarHBondContact O-NE1 3.13Å
299L96Very high94.9Very high6 Ų642.6 Ų42.63%0.03121%0.213CC..  trans68.531.8-174.5-44-168.5000114.1Y295 S296 W297 I355 A398 V401 M406 V413Y295-L299 HydrophobicContact CD2-CD2 3.76Å; Y295-L299 HydrophobicContact CE2-CD2 3.82Å; S296-L299 WeakPolarHBondContact O-CA 3.41Å; S296-L299 PolarHBondContact O-N 2.76Å; W297-L299 PolarHBondContact O-N 2.94Å; L299-I355 HydrophobicContact CB-CB 4.42Å; L299-I355 HydrophobicContact CB-CG1 4.24Å; L299-I355 HydrophobicContact CB-CG2 4.37Å; L299-I355 HydrophobicContact CD2-CG2 4.28Å; L299-I355 WeakPolarHBondContact O-CG1 3.47Å; L299-A398 HydrophobicContact CB-CB 4.3Å; L299-A398 HydrophobicContact CD1-CB 3.83Å; L299-A398 HydrophobicContact CG-CB 4.01Å; L299-V401 HydrophobicContact CD1-CB 3.67Å; L299-V401 HydrophobicContact CD1-CG1 3.87Å; L299-V401 HydrophobicContact CD1-CG2 4.11Å; L299-M406 HydrophobicContact CD1-CE 3.77Å; L299-M406 HydrophobicContact CD2-CE 3.34Å; L299-M406 HydrophobicContact CD2-SD 4.33Å; L299-M406 HydrophobicContact CG-CE 4.22Å; L299-V413 HydrophobicContact CD2-CG2 4.17Å
300W93.1Very high95Very high103 Ų10337.8 Ų37.839%0.3919%0.19SC..  trans-78.7126.9164.5-60.1123.1000110Y295 S296 E298 T394 W417Y295-W300 CarbonylContact C-O 3.52Å; Y295-W300 WeakPolarHBondContact CA-O 3.41Å; Y295-W300 WeakPolarHBondContact CB-O 3.44Å; S296-W300 PolarHBondContact N-O 2.97Å; E298-W300 VanDerWaalsContact CB-CD1 3.45Å; E298-W300 HydrophobicContact CB-CG 4.32Å; W300-T394 HydrophobicContact CH2-CG2 3.52Å; W300-T394 HydrophobicContact CZ3-CG2 3.69Å; W300-W417 HydrophobicContact CH2-CH2 4.46Å; W300-W417 AromaticContact CZ2-CH2 3.63Å; W300-W417 HydrophobicContact CZ2-CH2 3.63Å; W300-W417 HydrophobicContact CZ2-CZ2 4.18Å
301C94Very high95.1Very high42 Ų4243.5 Ų43.528%0.28421%0.21SC..EExtended strand (participates in β ladder)trans-68.5150.3170.657.30000111.5G294 I326 N354 I355G294-C301 WeakPolarHBondContact O-CA 3.41Å; C301-I326 HydrophobicContact CB-CG1 4.47Å; C301-N354 WeakPolarHBondContact CB-ND2 3.4Å; C301-I355 HydrophobicContact CB-CD1 3.92Å
302M93.7Very high95.2Very high42 Ų4247.7 Ų47.721%0.20723%0.23CC..EExtended strand (participates in β ladder)trans-152.5157.7177.263.2-170.2-136.200110.6H293 G294 I304 T517 T518 L521H293-M302 WeakPolarHBondContact CA-O 3.45Å; G294-M302 PolarHBondContact N-O 2.86Å; G294-M302 PolarHBondContact O-N 3.35Å; M302-I304 HydrophobicContact CE-CG2 3.41Å; M302-I304 VanDerWaalsContact CE-CG2 3.41Å; M302-I304 HydrophobicContact CG-CG2 4.16Å; M302-T517 HydrophobicContact SD-CG2 4.05Å; M302-T518 HydrophobicContact CE-CG2 3.71Å; M302-L521 HydrophobicContact CE-CD1 4.48Å
303Y94.2Very high95.2Very high93 Ų9350.2 Ų50.237%0.36525%0.251SS..EExtended strand (participates in β ladder)trans-73.6139.2166.9-65.3-76000110.1Y288 H293 I326Y288-Y303 HydrophobicContact CD2-CE2 4.46Å; Y288-Y303 HydrophobicContact CE2-CE2 4.42Å; H293-Y303 AromaticContact CD2-CD1 3.75Å; H293-Y303 AromaticContact CD2-CE1 3.91Å; H293-Y303 AromaticContact NE2-CE1 3.72Å; Y303-I326 HydrophobicContact CD1-CD1 3.61Å; Y303-I326 HydrophobicContact CD2-CD1 4.04Å; Y303-I326 HydrophobicContact CE1-CD1 3.13Å; Y303-I326 HydrophobicContact CE2-CD1 3.59Å; Y303-I326 HydrophobicContact CG-CD1 4.06Å; Y303-I326 WeakPolarHBondContact OH-CD1 3.49Å
304I94.6Very high95.1Very high29 Ų2953.2 Ų53.215%0.14928%0.282CS..EExtended strand (participates in β ladder)trans-130.3160.7172.460.7173.3000109.6A292 M302 P323 Y454A292-I304 HydrophobicContact CB-CD1 4.13Å; A292-I304 HydrophobicContact CB-CG1 3.7Å; A292-I304 PolarHBondContact N-O 2.66Å; A292-I304 PolarHBondContact O-N 3.31Å; M302-I304 HydrophobicContact CE-CG2 3.41Å; M302-I304 VanDerWaalsContact CE-CG2 3.41Å; M302-I304 HydrophobicContact CG-CG2 4.16Å; I304-P323 HydrophobicContact CD1-CG 3.89Å; I304-Y454 HydrophobicContact CD1-CD2 4.45Å; I304-Y454 HydrophobicContact CD1-CE2 3.81Å
305S94.2Very high95.2Very high65 Ų6554.4 Ų54.446%0.45529%0.289SS..PPolyproline II helixtrans-55.4140.7172.3176.20000110W311S305-W311 PolarHBondContact OG-NE1 3.32Å; S305-W311 VanDerWaalsContact OG-NE1 3.08Å
306P95.6Very high95.1Very high7 Ų757.3 Ų57.35%0.04531%0.308CS..PPolyproline II helixtrans-48.7149.6161.8-25.935.3000110.9W310 W311 I320P306-W310 HydrophobicContact CB-CB 4.19Å; P306-W310 HydrophobicContact CB-CD2 3.92Å; P306-W310 HydrophobicContact CB-CE3 3.61Å; P306-W310 HydrophobicContact CB-CG 4.19Å; P306-W310 HydrophobicContact CB-CZ3 4.29Å; P306-W310 HydrophobicContact CG-CD2 4.44Å; P306-W310 HydrophobicContact CG-CE3 3.92Å; P306-W310 HydrophobicContact CG-CZ3 4.08Å; P306-W311 HydrophobicContact CG-CZ2 4.26Å; P306-W311 PolarHBondContact O-NE1 3.37Å; P306-I320 HydrophobicContact CB-CD1 4.4Å; P306-I320 HydrophobicContact CB-CG1 4.35Å; P306-I320 HydrophobicContact CB-CG2 3.91Å; P306-I320 HydrophobicContact CG-CD1 4.01Å; P306-I320 HydrophobicContact CG-CG1 4.49Å; P306-I320 HydrophobicContact CG-CG2 4.37Å
307P94.3Very high95.2Very high32 Ų3257.7 Ų57.721%0.20831%0.31CS..PPolyproline II helixtrans-64.3158178.2-7.520.6000110.9D309 W310 R321P307-D309 VanDerWaalsContact C-N 3.27Å; P307-D309 WeakPolarHBondContact CB-OD1 3.37Å; P307-D309 PolarHBondContact O-N 2.79Å; P307-W310 WeakPolarHBondContact O-CB 3.13Å; P307-W310 PolarHBondContact O-N 2.93Å; P307-W310 VanDerWaalsContact O-N 3.11Å; P307-R321 HydrophobicContact CG-CB 4.26Å; P307-R321 WeakPolarHBondContact CG-O 3.28Å
308K93.5Very high95.3Very high155 Ų15560.9 Ų60.967%0.67433%0.327SS*.Hα-helixtrans-57.6-38-171.3-175-174.9170.9-171.10113.2W310 W311 D312K308-W310 VanDerWaalsContact C-N 3.27Å; K308-W310 PolarHBondContact O-N 3.36Å; K308-W311 WeakPolarHBondContact O-CB 3.34Å; K308-W311 PolarHBondContact O-N 3.23Å; K308-W311 VanDerWaalsContact O-N 3.11Å; K308-D312 WeakPolarHBondContact CE-OD2 2.86Å; K308-D312 VanDerWaalsContact O-CG 3.31Å; K308-D312 PolarHBondContact O-N 3.26Å
309D94.8Very high95.4Very high103 Ų10361 Ų6155%0.55133%0.331SS*.Hα-helixtrans-60.3-34.6179.161.1-18.4000113.2P307 A313P307-D309 VanDerWaalsContact C-N 3.27Å; P307-D309 WeakPolarHBondContact CB-OD1 3.37Å; P307-D309 PolarHBondContact O-N 2.79Å; D309-A313 WeakPolarHBondContact O-CB 3.5Å; D309-A313 PolarHBondContact O-N 3.35Å
310W97Very high95.5Very high22 Ų2260.8 Ų60.88%0.08333%0.329CS..Hα-helixtrans-66.5-41.4174.1-173.489.8000111.9P306 P307 K308 A313 P316 L318 I320 P372P306-W310 HydrophobicContact CB-CB 4.19Å; P306-W310 HydrophobicContact CB-CD2 3.92Å; P306-W310 HydrophobicContact CB-CE3 3.61Å; P306-W310 HydrophobicContact CB-CG 4.19Å; P306-W310 HydrophobicContact CB-CZ3 4.29Å; P306-W310 HydrophobicContact CG-CD2 4.44Å; P306-W310 HydrophobicContact CG-CE3 3.92Å; P306-W310 HydrophobicContact CG-CZ3 4.08Å; P307-W310 WeakPolarHBondContact O-CB 3.13Å; P307-W310 PolarHBondContact O-N 2.93Å; P307-W310 VanDerWaalsContact O-N 3.11Å; K308-W310 VanDerWaalsContact C-N 3.27Å; K308-W310 PolarHBondContact O-N 3.36Å; W310-A313 PolarHBondContact O-N 3.5Å; W310-P316 HydrophobicContact CH2-CB 4.41Å; W310-P316 HydrophobicContact CZ2-CB 4.36Å; W310-L318 PolarHBondContact NE1-O 3.04Å; W310-I320 HydrophobicContact CD2-CD1 4.48Å; W310-I320 HydrophobicContact CD2-CG1 3.96Å; W310-I320 HydrophobicContact CG-CG1 3.94Å; W310-I320 HydrophobicContact CZ2-CD1 4.03Å; W310-I320 HydrophobicContact CZ2-CG1 4.14Å; W310-I320 VanDerWaalsContact NE1-CG1 3.28Å; W310-P372 HydrophobicContact CZ2-CG 4.39Å
311W95.5Very high95.8Very high144 Ų14460.1 Ų60.155%0.54533%0.327SS..Hα-helixtrans-67-43.7174.5-73112.7000112.2S305 P306 K308 A313 G314S305-W311 PolarHBondContact OG-NE1 3.32Å; S305-W311 VanDerWaalsContact OG-NE1 3.08Å; P306-W311 HydrophobicContact CG-CZ2 4.26Å; P306-W311 PolarHBondContact O-NE1 3.37Å; K308-W311 WeakPolarHBondContact O-CB 3.34Å; K308-W311 PolarHBondContact O-N 3.23Å; K308-W311 VanDerWaalsContact O-N 3.11Å; W311-A313 PolarHBondContact O-N 2.66Å; W311-G314 PolarHBondContact O-N 3.27Å
312D97.5Very high96Very high114 Ų11458.2 Ų58.261%0.6131%0.314SS*.Hα-helixtrans-62.7-31.7178.8-70.3-16.4000111.5K308 G314K308-D312 WeakPolarHBondContact CE-OD2 2.86Å; K308-D312 VanDerWaalsContact O-CG 3.31Å; K308-D312 PolarHBondContact O-N 3.26Å; D312-G314 VanDerWaalsContact C-N 3.29Å; D312-G314 PolarHBondContact O-N 2.61Å
313A97Very high96.1Very high55 Ų5556.5 Ų56.546%0.45531%0.306SS..Hα-helixtrans-69.5-23.7175.200000113.6D309 W310 W311 D315 L318D309-A313 WeakPolarHBondContact O-CB 3.5Å; D309-A313 PolarHBondContact O-N 3.35Å; W310-A313 PolarHBondContact O-N 3.5Å; W311-A313 PolarHBondContact O-N 2.66Å; A313-D315 PolarHBondContact O-N 3.16Å; A313-L318 HydrophobicContact CB-CD1 3.66Å
314G95.2Very high96.3Very high66 Ų6652 Ų5268%0.6829%0.288SS*.THydrogen-bonded Turntrans62.912.7176.500000115.4W311 D312W311-G314 PolarHBondContact O-N 3.27Å; D312-G314 VanDerWaalsContact C-N 3.29Å; D312-G314 PolarHBondContact O-N 2.61Å
315D96.4Very high96.3Very high26 Ų2650.7 Ų50.714%0.13928%0.281CS..  trans-112.7104.4-177.4-179.7-3.7000110.9K141 A313 S317 L318K141-D315 WeakPolarHBondContact CE-OD2 3.23Å; K141-D315 IonicContact NZ-OD1 2.74Å; K141-D315 IonicContact NZ-OD2 3.58Å; K141-D315 PolarHBondContact NZ-OD2 3.14Å; A313-D315 PolarHBondContact O-N 3.16Å; D315-S317 VanDerWaalsContact CG-OG 3.27Å; D315-S317 PolarHBondContact O-N 2.91Å; D315-S317 VanDerWaalsContact O-N 3.1Å; D315-S317 WeakPolarHBondContact OD1-CB 3.29Å; D315-S317 PolarHBondContact OD1-N 3.1Å; D315-S317 PolarHBondContact OD1-OG 2.87Å; D315-S317 PolarHBondContact OD2-OG 3.03Å; D315-L318 HydrophobicContact CB-CD1 3.79Å; D315-L318 HydrophobicContact CB-CG 3.8Å; D315-L318 PolarHBondContact O-N 2.87Å; D315-L318 VanDerWaalsContact O-N 3.16Å
316P95.4Very high96.2Very high61 Ų6148.9 Ų48.940%0.39627%0.266SS..THydrogen-bonded Turntrans-70.8-7.5-176.130.5-36.5000113.7P139 W310 P372P139-P316 HydrophobicContact CB-CB 4.31Å; P139-P316 HydrophobicContact CB-CG 4.14Å; P139-P316 HydrophobicContact CG-CB 4.2Å; P139-P316 WeakPolarHBondContact CG-O 3.35Å; W310-P316 HydrophobicContact CH2-CB 4.41Å; W310-P316 HydrophobicContact CZ2-CB 4.36Å; P316-P372 WeakPolarHBondContact O-CB 3.29Å; P316-P372 VanDerWaalsContact O-CG 3.32Å; P316-P372 WeakPolarHBondContact O-CG 3.37Å
317S96.4Very high95.8Very high14 Ų1449 Ų4910%0.09827%0.269CS..THydrogen-bonded Turntrans-83.2-13.5175.171.90000113.3C142 D315 C373C142-S317 VanDerWaalsContact SG-CB 3.59Å; D315-S317 VanDerWaalsContact CG-OG 3.27Å; D315-S317 PolarHBondContact O-N 2.91Å; D315-S317 VanDerWaalsContact O-N 3.1Å; D315-S317 WeakPolarHBondContact OD1-CB 3.29Å; D315-S317 PolarHBondContact OD1-N 3.1Å; D315-S317 PolarHBondContact OD1-OG 2.87Å; D315-S317 PolarHBondContact OD2-OG 3.03Å; S317-C373 PolarHBondContact O-SG 3.1Å; S317-C373 VanDerWaalsContact O-SG 3.38Å
318L97.7Very high95.6Very high68 Ų6847.9 Ų47.936%0.35626%0.262SS..SBendtrans-70.9145.9-177.3-68178000112W310 A313 D315 P372W310-L318 PolarHBondContact NE1-O 3.04Å; A313-L318 HydrophobicContact CB-CD1 3.66Å; D315-L318 HydrophobicContact CB-CD1 3.79Å; D315-L318 HydrophobicContact CB-CG 3.8Å; D315-L318 PolarHBondContact O-N 2.87Å; D315-L318 VanDerWaalsContact O-N 3.16Å; L318-P372 VanDerWaalsContact O-CD 3.29Å; L318-P372 WeakPolarHBondContact O-CD 3.15Å; L318-P372 WeakPolarHBondContact O-CG 3.39Å
319P98.1Very high95.7Very high35 Ų3540.6 Ų40.623%0.22723%0.23CC..PPolyproline II helixtrans-55.8140169.9-23.933.6000112.2E369 L371P319-E369 HydrophobicContact CB-CB 4.27Å; P319-E369 HydrophobicContact CB-CG 4.41Å; P319-L371 HydrophobicContact CB-CD2 3.58Å; P319-L371 HydrophobicContact CG-CD2 3.7Å
320I98.3Very high95.8Very high0 Ų035.7 Ų35.70%020%0.204CC..EExtended strand (participates in β ladder)trans-100.3117.8174.9-62.9164000108.2N290 A292 P306 W310 T322 E369 V370 P372N290-I320 HydrophobicContact CB-CD1 3.63Å; A292-I320 HydrophobicContact CB-CG2 3.72Å; P306-I320 HydrophobicContact CB-CD1 4.4Å; P306-I320 HydrophobicContact CB-CG1 4.35Å; P306-I320 HydrophobicContact CB-CG2 3.91Å; P306-I320 HydrophobicContact CG-CD1 4.01Å; P306-I320 HydrophobicContact CG-CG1 4.49Å; P306-I320 HydrophobicContact CG-CG2 4.37Å; W310-I320 HydrophobicContact CD2-CD1 4.48Å; W310-I320 HydrophobicContact CD2-CG1 3.96Å; W310-I320 HydrophobicContact CG-CG1 3.94Å; W310-I320 HydrophobicContact CZ2-CD1 4.03Å; W310-I320 HydrophobicContact CZ2-CG1 4.14Å; W310-I320 VanDerWaalsContact NE1-CG1 3.28Å; I320-T322 PolarHBondContact O-N 2.82Å; I320-E369 CarbonylContact O-C 3.44Å; I320-E369 VanDerWaalsContact O-CA 3.28Å; I320-E369 WeakPolarHBondContact O-CA 3.47Å; I320-V370 HydrophobicContact CB-CB 4.23Å; I320-V370 PolarHBondContact N-O 3.02Å; I320-V370 PolarHBondContact O-N 2.98Å; I320-P372 HydrophobicContact CD1-CG 3.99Å; I320-P372 HydrophobicContact CG1-CG 4.3Å
321R97.8Very high95.9Very high90 Ų9034.7 Ų34.734%0.3420%0.2SC..EExtended strand (participates in β ladder)trans-64.7133.3172.1-173-176.4178.4-156.6-1.5109.8P307 W362 H452P307-R321 HydrophobicContact CG-CB 4.26Å; P307-R321 WeakPolarHBondContact CG-O 3.28Å; R321-W362 HydrophobicContact CG-CH2 3.85Å; R321-W362 HydrophobicContact CG-CZ2 3.66Å; R321-H452 PolarHBondContact NH1-O 2.82Å; R321-H452 PolarHBondContact NH2-O 2.93Å
322T98.1Very high96.1Very high1 Ų127.8 Ų27.81%0.00617%0.174CC..  trans-132.4137.4-176.2-175.80000112.4L272 H293 I320 A324 W362 M368 V370L272-T322 HydrophobicContact CD1-CG2 3.86Å; H293-T322 WeakPolarHBondContact CA-OG1 3.49Å; H293-T322 WeakPolarHBondContact CB-OG1 3.48Å; H293-T322 PolarHBondContact N-OG1 2.97Å; H293-T322 PolarHBondContact O-OG1 3.42Å; I320-T322 PolarHBondContact O-N 2.82Å; T322-A324 WeakPolarHBondContact CG2-O 3.47Å; T322-A324 PolarHBondContact OG1-O 3.26Å; T322-W362 PolarHBondContact O-NE1 3.25Å; T322-M368 HydrophobicContact CG2-CB 3.63Å; T322-M368 PolarHBondContact N-O 2.96Å; T322-M368 VanDerWaalsContact N-O 3.13Å; T322-V370 HydrophobicContact CG2-CG2 4.03Å
323P97.4Very high96.1Very high6 Ų623.6 Ų23.64%0.03915%0.152CC..SBendtrans-76.1-33177.827.4-32.3000113H293 I304 Y449 V453 Y454H293-P323 WeakPolarHBondContact O-CD 3.48Å; H293-P323 VanDerWaalsContact O-CG 3.22Å; H293-P323 WeakPolarHBondContact O-CG 3.39Å; I304-P323 HydrophobicContact CD1-CG 3.89Å; P323-Y449 VanDerWaalsContact CB-OH 3.32Å; P323-Y449 WeakPolarHBondContact CB-OH 3.4Å; P323-Y449 PolarHBondContact O-OH 3.3Å; P323-V453 HydrophobicContact CB-CG1 3.96Å; P323-Y454 HydrophobicContact CB-CD1 3.99Å; P323-Y454 HydrophobicContact CB-CD2 4.19Å; P323-Y454 HydrophobicContact CB-CG 3.69Å; P323-Y454 HydrophobicContact CG-CD1 4.09Å; P323-Y454 HydrophobicContact CG-CD2 3.75Å; P323-Y454 HydrophobicContact CG-CE1 4.44Å; P323-Y454 HydrophobicContact CG-CE2 4.1Å; P323-Y454 HydrophobicContact CG-CG 3.75Å
324A96.7Very high96.2Very high0 Ų024.3 Ų24.30%014%0.143CC..SBendtrans-132.8-170-179.100000111.5H293 Y295 T322 I355H293-A324 WeakPolarHBondContact CB-O 3.4Å; H293-A324 PolarHBondContact O-N 2.98Å; Y295-A324 HydrophobicContact CD1-CB 3.68Å; Y295-A324 HydrophobicContact CE1-CB 4.28Å; T322-A324 WeakPolarHBondContact CG2-O 3.47Å; T322-A324 PolarHBondContact OG1-O 3.26Å; A324-I355 HydrophobicContact CB-CD1 3.86Å
325M95.4Very high96.4Very high0 Ų028.5 Ų28.50%014%0.142CC..  trans-138.1146.1175.655.5168.1-67.400112.2L272 F330 N354 L357 M368L272-M325 HydrophobicContact CD1-CB 3.44Å; L272-M325 VanDerWaalsContact CD1-CB 3.44Å; L272-M325 HydrophobicContact CD2-CB 3.75Å; L272-M325 HydrophobicContact CD2-CE 4.31Å; L272-M325 HydrophobicContact CD2-SD 4.34Å; L272-M325 HydrophobicContact CG-CB 4.26Å; M325-F330 HydrophobicContact CE-CB 3.76Å; M325-F330 HydrophobicContact CE-CD1 3.47Å; M325-F330 VanDerWaalsContact CE-CD1 3.47Å; M325-F330 HydrophobicContact CE-CE1 4.29Å; M325-F330 HydrophobicContact CE-CG 3.84Å; M325-F330 HydrophobicContact SD-CB 4.16Å; M325-F330 HydrophobicContact SD-CD1 4.19Å; M325-F330 HydrophobicContact SD-CG 4.15Å; M325-N354 HydrophobicContact CE-CB 4.45Å; M325-N354 HydrophobicContact CG-CB 4.02Å; M325-N354 VanDerWaalsContact CG-O 3.22Å; M325-N354 WeakPolarHBondContact CG-O 3.44Å; M325-N354 PolarHBondContact O-ND2 3.4Å; M325-L357 HydrophobicContact SD-CD2 3.83Å; M325-L357 HydrophobicContact SD-CG 4.43Å; M325-M368 HydrophobicContact CB-CE 3.72Å; M325-M368 HydrophobicContact CG-CE 3.87Å; M325-M368 HydrophobicContact SD-CE 3.9Å
326I92.5Very high96.5Very high27 Ų2727.4 Ų27.414%0.13814%0.136CC..  trans-75.8133.5162-65.1176.2000107.7I275 H293 C301 Y303 C328I275-I326 HydrophobicContact CD1-CB 3.95Å; I275-I326 HydrophobicContact CD1-CD1 4.33Å; I275-I326 HydrophobicContact CD1-CG2 4.01Å; H293-I326 HydrophobicContact CB-CG1 4.32Å; H293-I326 PolarHBondContact ND1-N 3.03Å; C301-I326 HydrophobicContact CB-CG1 4.47Å; Y303-I326 HydrophobicContact CD1-CD1 3.61Å; Y303-I326 HydrophobicContact CD2-CD1 4.04Å; Y303-I326 HydrophobicContact CE1-CD1 3.13Å; Y303-I326 HydrophobicContact CE2-CD1 3.59Å; Y303-I326 HydrophobicContact CG-CD1 4.06Å; Y303-I326 WeakPolarHBondContact OH-CD1 3.49Å; I326-C328 PolarHBondContact O-N 2.82Å; I326-C328 VanDerWaalsContact O-N 3.07Å
327G86.3Confident96.6Very high10 Ų1024.5 Ų24.510%0.10312%0.117CC..THydrogen-bonded Turntrans-65.3-12.4-165.400000116.3R230 S329R230-G327 PolarHBondContact NH1-O 3.02Å; R230-G327 VanDerWaalsContact NH1-O 3.09Å; R230-G327 PolarHBondContact NH2-O 2.9Å; G327-S329 PolarHBondContact O-N 3.36Å
328C91.2Very high96.7Very high8 Ų825.1 Ų25.15%0.05413%0.126CC..THydrogen-bonded Turntrans-71.9-28.6-16861.10000115F245 D246 I275 I326 H378F245-C328 WeakPolarHBondContact CA-O 3.29Å; D246-C328 PolarHBondContact N-O 2.86Å; D246-C328 WeakPolarHBondContact OD2-CA 3.47Å; I275-C328 WeakPolarHBondContact CD1-SG 3.36Å; I326-C328 PolarHBondContact O-N 2.82Å; I326-C328 VanDerWaalsContact O-N 3.07Å; C328-H378 VanDerWaalsContact CB-CD2 3.42Å; C328-H378 WeakPolarHBondContact CB-CD2 3.31Å
329S94.3Very high96.7Very high2 Ų226.2 Ų26.21%0.01413%0.129CC..EExtended strand (participates in β ladder)trans-157.5134.1-177.559.70000113.4F244 F245 L272 G327F244-S329 VanDerWaalsContact O-CA 3.24Å; F244-S329 WeakPolarHBondContact O-CA 3.34Å; F245-S329 VanDerWaalsContact CD1-CB 3.46Å; L272-S329 WeakPolarHBondContact CD2-O 3.29Å; G327-S329 PolarHBondContact O-N 3.36Å
330F98.2Very high96.7Very high1 Ų124.7 Ų24.70%0.00412%0.119CC..EExtended strand (participates in β ladder)trans-153.7152.2166.669-76.9000111.5G243 F244 V270 I271 L272 M325 V332 F337 L357G243-F330 WeakPolarHBondContact CA-O 3.41Å; F244-F330 HydrophobicContact CB-CD1 3.85Å; F244-F330 HydrophobicContact CB-CE1 3.46Å; F244-F330 VanDerWaalsContact CB-CE1 3.46Å; F244-F330 HydrophobicContact CB-CZ 3.86Å; F244-F330 HydrophobicContact CD1-CZ 4.41Å; F244-F330 HydrophobicContact CD2-CD1 4.32Å; F244-F330 AromaticContact CD2-CD2 3.95Å; F244-F330 HydrophobicContact CD2-CD2 3.95Å; F244-F330 AromaticContact CD2-CE1 3.73Å; F244-F330 HydrophobicContact CD2-CE1 3.73Å; F244-F330 AromaticContact CD2-CE2 3.29Å; F244-F330 HydrophobicContact CD2-CE2 3.29Å; F244-F330 HydrophobicContact CD2-CG 4.44Å; F244-F330 AromaticContact CD2-CZ 3.17Å; F244-F330 HydrophobicContact CD2-CZ 3.17Å; F244-F330 AromaticContact CE2-CE2 3.69Å; F244-F330 HydrophobicContact CE2-CE2 3.69Å; F244-F330 AromaticContact CE2-CZ 3.75Å; F244-F330 HydrophobicContact CE2-CZ 3.75Å; F244-F330 HydrophobicContact CG-CD1 4.43Å; F244-F330 AromaticContact CG-CE1 3.72Å; F244-F330 HydrophobicContact CG-CE1 3.72Å; F244-F330 HydrophobicContact CG-CE2 4.14Å; F244-F330 AromaticContact CG-CZ 3.56Å; F244-F330 HydrophobicContact CG-CZ 3.56Å; F244-F330 PolarHBondContact N-O 3.15Å; F244-F330 PolarHBondContact O-N 2.83Å; V270-F330 HydrophobicContact CG1-CB 4.1Å; V270-F330 HydrophobicContact CG1-CD2 3.91Å; V270-F330 HydrophobicContact CG1-CG 4.45Å; I271-F330 CarbonylContact O-C 3.55Å; I271-F330 WeakPolarHBondContact O-CA 3.34Å; L272-F330 HydrophobicContact CD2-CB 3.44Å; L272-F330 VanDerWaalsContact CD2-CB 3.44Å; M325-F330 HydrophobicContact CE-CB 3.76Å; M325-F330 HydrophobicContact CE-CD1 3.47Å; M325-F330 VanDerWaalsContact CE-CD1 3.47Å; M325-F330 HydrophobicContact CE-CE1 4.29Å; M325-F330 HydrophobicContact CE-CG 3.84Å; M325-F330 HydrophobicContact SD-CB 4.16Å; M325-F330 HydrophobicContact SD-CD1 4.19Å; M325-F330 HydrophobicContact SD-CG 4.15Å; F330-V332 HydrophobicContact CD2-CB 4.48Å; F330-V332 HydrophobicContact CD2-CG1 4.17Å; F330-V332 HydrophobicContact CE2-CG1 3.95Å; F330-F337 HydrophobicContact CE2-CE2 4.05Å; F330-F337 HydrophobicContact CE2-CZ 4.03Å; F330-F337 HydrophobicContact CZ-CE2 4.35Å; F330-F337 AromaticContact CZ-CZ 3.96Å; F330-F337 HydrophobicContact CZ-CZ 3.96Å; F330-L357 HydrophobicContact CD2-CD2 4.06Å; F330-L357 HydrophobicContact CE1-CD2 4.45Å; F330-L357 HydrophobicContact CE2-CD2 3.7Å; F330-L357 HydrophobicContact CZ-CD2 3.91Å
331V98.8Very high96.7Very high0 Ų025.6 Ų25.60%013%0.128CC..EExtended strand (participates in β ladder)trans-127132.2-179.3-170.90000109.5I154 V241 T242 F245 W255 V259 I263 I271I154-V331 HydrophobicContact CD1-CG1 3.68Å; I154-V331 HydrophobicContact CD1-CG2 4.48Å; V241-V331 HydrophobicContact CG1-CG1 3.27Å; T242-V331 WeakPolarHBondContact O-CA 3.38Å; F245-V331 HydrophobicContact CE2-CG2 4.43Å; F245-V331 HydrophobicContact CZ-CG2 3.87Å; W255-V331 HydrophobicContact CZ3-CG2 4.4Å; V259-V331 HydrophobicContact CG1-CB 3.56Å; V259-V331 HydrophobicContact CG1-CG1 3.54Å; V259-V331 HydrophobicContact CG1-CG2 3.9Å; I263-V331 HydrophobicContact CD1-CB 4.27Å; I263-V331 HydrophobicContact CD1-CG1 3.76Å; I271-V331 PolarHBondContact N-O 3.47Å; I271-V331 PolarHBondContact O-N 3.11Å
332V98.8Very high96.7Very high0 Ų022.5 Ų22.50%012%0.118CC..EExtended strand (participates in β ladder)trans-146.9148.7-171.261.40000111.1T242 F244 V270 F330 R334 F336 F337T242-V332 PolarHBondContact N-O 3.06Å; T242-V332 PolarHBondContact O-N 2.84Å; T242-V332 PolarHBondContact OG1-O 3.37Å; F244-V332 HydrophobicContact CD2-CG1 4.48Å; F244-V332 HydrophobicContact CE2-CG1 3.94Å; V270-V332 HydrophobicContact CG1-CB 4.42Å; V270-V332 HydrophobicContact CG2-CB 4.23Å; V270-V332 HydrophobicContact CG2-CG2 3.78Å; F330-V332 HydrophobicContact CD2-CB 4.48Å; F330-V332 HydrophobicContact CD2-CG1 4.17Å; F330-V332 HydrophobicContact CE2-CG1 3.95Å; V332-R334 PolarHBondContact O-N 3.44Å; V332-F336 HydrophobicContact CG2-CD1 3.84Å; V332-F337 HydrophobicContact CG1-CB 3.82Å; V332-F337 HydrophobicContact CG1-CD1 4.31Å; V332-F337 HydrophobicContact CG1-CD2 4.17Å; V332-F337 HydrophobicContact CG1-CG 3.87Å; V332-F337 HydrophobicContact CG2-CB 3.98Å
333N98.8Very high96.6Very high25 Ų2522.5 Ų22.513%0.13412%0.118CC..EExtended strand (participates in β ladder)trans-59.8126.7168.6179.5-87.9000110.3Q240 I263 R267 K335 F336 F337Q240-N333 PolarHBondContact O-ND2 3.04Å; I263-N333 HydrophobicContact CG2-CB 3.94Å; R267-N333 HydrophobicContact CB-CB 4.15Å; R267-N333 WeakPolarHBondContact O-CB 3.22Å; N333-K335 VanDerWaalsContact C-N 3.32Å; N333-K335 PolarHBondContact O-N 2.98Å; N333-K335 PolarHBondContact OD1-N 2.86Å; N333-K335 VanDerWaalsContact OD1-N 3.16Å; N333-F336 HydrophobicContact CB-CB 3.94Å; N333-F336 PolarHBondContact O-N 2.93Å; N333-F336 PolarHBondContact OD1-N 3.02Å; N333-F337 PolarHBondContact O-N 3.15Å
334R98.7Very high96.6Very high71 Ų7122.4 Ų22.427%0.26812%0.117SC..Hα-helixtrans-57.8-43.4-172.3-175.1-178.2164.4-114.42.1112.6W234 A237 G239 Q240 T242 V332 G338W234-R334 PolarHBondContact NE1-O 3.16Å; W234-R334 VanDerWaalsContact NE1-O 3.07Å; A237-R334 PolarHBondContact O-NE 3.2Å; A237-R334 PolarHBondContact O-NH2 3.4Å; A237-R334 VanDerWaalsContact O-NH2 3.12Å; G239-R334 WeakPolarHBondContact O-CD 3.19Å; Q240-R334 WeakPolarHBondContact O-CB 3.45Å; Q240-R334 PolarHBondContact O-N 2.97Å; T242-R334 HydrophobicContact CG2-CB 3.97Å; T242-R334 HydrophobicContact CG2-CG 3.85Å; V332-R334 PolarHBondContact O-N 3.44Å; R334-G338 PolarHBondContact O-N 3.26Å
335K98.5Very high96.6Very high154 Ų15425.2 Ų25.267%0.6714%0.136SC*.Hα-helixtrans-69.2-45.9-179.7-67.7-174.3178.7-178.20111.2N333 F337 G338 E339N333-K335 VanDerWaalsContact C-N 3.32Å; N333-K335 PolarHBondContact O-N 2.98Å; N333-K335 PolarHBondContact OD1-N 2.86Å; N333-K335 VanDerWaalsContact OD1-N 3.16Å; K335-F337 VanDerWaalsContact C-N 3.28Å; K335-F337 PolarHBondContact O-N 2.99Å; K335-G338 PolarHBondContact O-N 3.07Å; K335-G338 VanDerWaalsContact O-N 3.15Å; K335-E339 VanDerWaalsContact O-CG 3.3Å; K335-E339 WeakPolarHBondContact O-CG 3.24Å; K335-E339 PolarHBondContact O-N 3.32Å
336F98.7Very high96.6Very high2 Ų226.3 Ų26.31%0.00915%0.147CC..Hα-helixtrans-56.5-43.3176.3177-121.9000112R267 K268 V270 V332 N333 G338 E339 I340R267-F336 WeakPolarHBondContact O-CB 3.39Å; K268-F336 HydrophobicContact CB-CD2 4.18Å; K268-F336 HydrophobicContact CB-CE1 4.24Å; K268-F336 HydrophobicContact CB-CE2 3.89Å; K268-F336 HydrophobicContact CB-CG 4.48Å; K268-F336 HydrophobicContact CB-CZ 3.92Å; K268-F336 HydrophobicContact CD-CD2 4.41Å; K268-F336 HydrophobicContact CD-CE2 4.07Å; K268-F336 HydrophobicContact CG-CD2 3.79Å; K268-F336 HydrophobicContact CG-CE2 3.78Å; K268-F336 HydrophobicContact CG-CG 4.36Å; K268-F336 HydrophobicContact CG-CZ 4.34Å; K268-F336 WeakPolarHBondContact O-CE1 3.47Å; V270-F336 HydrophobicContact CG2-CE1 4.2Å; V332-F336 HydrophobicContact CG2-CD1 3.84Å; N333-F336 HydrophobicContact CB-CB 3.94Å; N333-F336 PolarHBondContact O-N 2.93Å; N333-F336 PolarHBondContact OD1-N 3.02Å; F336-G338 VanDerWaalsContact C-N 3.31Å; F336-G338 PolarHBondContact O-N 3.22Å; F336-E339 WeakPolarHBondContact O-CB 3.37Å; F336-E339 PolarHBondContact O-N 3.39Å; F336-I340 HydrophobicContact CD2-CG2 4.02Å; F336-I340 HydrophobicContact CE1-CD1 4.15Å; F336-I340 HydrophobicContact CE2-CG2 3.44Å; F336-I340 VanDerWaalsContact CE2-CG2 3.44Å; F336-I340 HydrophobicContact CZ-CD1 4.19Å; F336-I340 HydrophobicContact CZ-CG2 3.78Å; F336-I340 WeakPolarHBondContact O-CG1 3.05Å; F336-I340 PolarHBondContact O-N 2.69Å; F336-I340 VanDerWaalsContact O-N 3.09Å
337F98.5Very high96.8Very high1 Ų125.1 Ų25.10%0.00414%0.141CC..Hα-helixtrans-60.6-40.8178.6-167.5-133.5000112.4W234 F244 F330 V332 N333 K335 I340 L342 L343 L357W234-F337 AromaticContact CD1-CD1 3.62Å; W234-F337 HydrophobicContact CG-CD1 4.21Å; W234-F337 AromaticContact NE1-CD1 3.83Å; F244-F337 HydrophobicContact CE1-CE1 4.38Å; F244-F337 AromaticContact CE2-CD1 3.98Å; F244-F337 HydrophobicContact CE2-CD1 3.98Å; F244-F337 AromaticContact CE2-CE1 3.72Å; F244-F337 HydrophobicContact CE2-CE1 3.72Å; F244-F337 HydrophobicContact CE2-CZ 4.33Å; F244-F337 AromaticContact CZ-CD1 3.88Å; F244-F337 HydrophobicContact CZ-CD1 3.88Å; F244-F337 AromaticContact CZ-CE1 3.48Å; F244-F337 HydrophobicContact CZ-CE1 3.48Å; F244-F337 VanDerWaalsContact CZ-CE1 3.48Å; F244-F337 HydrophobicContact CZ-CZ 4.37Å; F330-F337 HydrophobicContact CE2-CE2 4.05Å; F330-F337 HydrophobicContact CE2-CZ 4.03Å; F330-F337 HydrophobicContact CZ-CE2 4.35Å; F330-F337 AromaticContact CZ-CZ 3.96Å; F330-F337 HydrophobicContact CZ-CZ 3.96Å; V332-F337 HydrophobicContact CG1-CB 3.82Å; V332-F337 HydrophobicContact CG1-CD1 4.31Å; V332-F337 HydrophobicContact CG1-CD2 4.17Å; V332-F337 HydrophobicContact CG1-CG 3.87Å; V332-F337 HydrophobicContact CG2-CB 3.98Å; N333-F337 PolarHBondContact O-N 3.15Å; K335-F337 VanDerWaalsContact C-N 3.28Å; K335-F337 PolarHBondContact O-N 2.99Å; F337-I340 HydrophobicContact CD2-CD1 4.41Å; F337-I340 WeakPolarHBondContact O-CG1 3.16Å; F337-L342 HydrophobicContact CB-CD2 4.38Å; F337-L342 HydrophobicContact CD1-CD2 3.34Å; F337-L342 HydrophobicContact CE1-CB 4.27Å; F337-L342 HydrophobicContact CE1-CD2 3.72Å; F337-L342 HydrophobicContact CG-CD2 3.88Å; F337-L342 HydrophobicContact CZ-CB 4.4Å; F337-L342 WeakPolarHBondContact O-CA 3.22Å; F337-L342 PolarHBondContact O-N 3.34Å; F337-L343 HydrophobicContact CZ-CG 4.02Å; F337-L357 HydrophobicContact CD2-CD1 4.4Å; F337-L357 HydrophobicContact CE2-CD1 3.84Å; F337-L357 HydrophobicContact CE2-CD2 4.06Å
338G98.2Very high96.9Very high27 Ų2726.5 Ų26.528%0.27815%0.146SC..Hα-helixtrans-66-42.6172.800000113.3R334 K335 F336 I340 G341R334-G338 PolarHBondContact O-N 3.26Å; K335-G338 PolarHBondContact O-N 3.07Å; K335-G338 VanDerWaalsContact O-N 3.15Å; F336-G338 VanDerWaalsContact C-N 3.31Å; F336-G338 PolarHBondContact O-N 3.22Å; G338-I340 VanDerWaalsContact C-N 3.27Å; G338-I340 PolarHBondContact O-N 3.23Å; G338-G341 PolarHBondContact O-N 2.88Å
339E97.9Very high96.7Very high90 Ų9027.9 Ų27.942%0.42115%0.154SC..Hα-helixtrans-59-36.7178.5-71.9163.5-16700112.3R267 K335 F336 G341R267-E339 IonicContact CZ-OE1 3.47Å; R267-E339 IonicContact CZ-OE2 2.8Å; R267-E339 VanDerWaalsContact CZ-OE2 3.24Å; R267-E339 IonicContact NH1-OE1 3.54Å; R267-E339 PolarHBondContact NH1-OE1 3.38Å; R267-E339 IonicContact NH1-OE2 3.02Å; R267-E339 PolarHBondContact NH1-OE2 3.24Å; R267-E339 IonicContact NH2-OE1 3.44Å; R267-E339 PolarHBondContact NH2-OE1 3.45Å; R267-E339 IonicContact NH2-OE2 2.66Å; R267-E339 PolarHBondContact NH2-OE2 3.04Å; K335-E339 VanDerWaalsContact O-CG 3.3Å; K335-E339 WeakPolarHBondContact O-CG 3.24Å; K335-E339 PolarHBondContact O-N 3.32Å; F336-E339 WeakPolarHBondContact O-CB 3.37Å; F336-E339 PolarHBondContact O-N 3.39Å; E339-G341 VanDerWaalsContact C-N 3.28Å; E339-G341 PolarHBondContact O-N 3Å
340I97.8Very high96.3Very high4 Ų431 Ų312%0.02117%0.166CC..THydrogen-bonded Turntrans-87.28.7176.968.5173.5000113.7F336 F337 G338 L357 K360 V361F336-I340 HydrophobicContact CD2-CG2 4.02Å; F336-I340 HydrophobicContact CE1-CD1 4.15Å; F336-I340 HydrophobicContact CE2-CG2 3.44Å; F336-I340 VanDerWaalsContact CE2-CG2 3.44Å; F336-I340 HydrophobicContact CZ-CD1 4.19Å; F336-I340 HydrophobicContact CZ-CG2 3.78Å; F336-I340 WeakPolarHBondContact O-CG1 3.05Å; F336-I340 PolarHBondContact O-N 2.69Å; F336-I340 VanDerWaalsContact O-N 3.09Å; F337-I340 HydrophobicContact CD2-CD1 4.41Å; F337-I340 WeakPolarHBondContact O-CG1 3.16Å; G338-I340 VanDerWaalsContact C-N 3.27Å; G338-I340 PolarHBondContact O-N 3.23Å; I340-L357 HydrophobicContact CD1-CD1 4.1Å; I340-K360 WeakPolarHBondContact O-CD 3.35Å; I340-K360 WeakPolarHBondContact O-CE 3.44Å; I340-V361 HydrophobicContact CD1-CG2 3.82Å
341G97.5Very high95.8Very high18 Ų1831 Ų3119%0.18617%0.167CC..THydrogen-bonded Turntrans74.833.7175.900000115.9G338 E339 R434G338-G341 PolarHBondContact O-N 2.88Å; E339-G341 VanDerWaalsContact C-N 3.28Å; E339-G341 PolarHBondContact O-N 3Å; G341-R434 PolarHBondContact O-NH1 3.27Å
342L97.7Very high95.5Very high25 Ų2531.3 Ų31.313%0.13117%0.169CC..  trans54.5-143171.3-53.1175.9000113I231 W234 F337 K360I231-L342 HydrophobicContact CG1-CB 4.27Å; I231-L342 HydrophobicContact CG1-CD1 4.23Å; I231-L342 HydrophobicContact CG2-CD1 4Å; W234-L342 HydrophobicContact CD2-CD1 4.25Å; W234-L342 HydrophobicContact CD2-CD2 3.57Å; W234-L342 HydrophobicContact CE3-CD1 3.75Å; W234-L342 HydrophobicContact CE3-CD2 3.91Å; W234-L342 HydrophobicContact CG-CD2 4.03Å; W234-L342 HydrophobicContact CH2-CD1 4.46Å; W234-L342 HydrophobicContact CH2-CD2 4.19Å; W234-L342 HydrophobicContact CZ2-CD2 3.86Å; W234-L342 HydrophobicContact CZ3-CD1 3.88Å; W234-L342 HydrophobicContact CZ3-CD2 4.21Å; F337-L342 HydrophobicContact CB-CD2 4.38Å; F337-L342 HydrophobicContact CD1-CD2 3.34Å; F337-L342 HydrophobicContact CE1-CB 4.27Å; F337-L342 HydrophobicContact CE1-CD2 3.72Å; F337-L342 HydrophobicContact CG-CD2 3.88Å; F337-L342 HydrophobicContact CZ-CB 4.4Å; F337-L342 WeakPolarHBondContact O-CA 3.22Å; F337-L342 PolarHBondContact O-N 3.34Å; L342-K360 VanDerWaalsContact O-CE 3.3Å; L342-K360 WeakPolarHBondContact O-CE 3.44Å; L342-K360 PolarHBondContact O-NZ 3.11Å
343L97.3Very high95.4Very high2 Ų231.3 Ų31.31%0.0117%0.17CC..SBendtrans-88.6173.1163.7-66.1173.4000110I227 R230 I231 F337 P345 E353 L357 R434I227-L343 HydrophobicContact CG2-CB 3.45Å; I227-L343 VanDerWaalsContact CG2-CB 3.45Å; I227-L343 HydrophobicContact CG2-CD1 4.18Å; I227-L343 HydrophobicContact CG2-CG 4.45Å; R230-L343 HydrophobicContact CB-CD1 4.14Å; I231-L343 HydrophobicContact CD1-CB 4.44Å; F337-L343 HydrophobicContact CZ-CG 4.02Å; L343-P345 WeakPolarHBondContact O-CD 3.27Å; L343-E353 HydrophobicContact CD2-CB 4.37Å; L343-L357 HydrophobicContact CD2-CB 4.04Å; L343-L357 HydrophobicContact CD2-CD2 4.04Å; L343-L357 HydrophobicContact CD2-CG 4.46Å; L343-R434 PolarHBondContact O-NH1 3.07Å; L343-R434 PolarHBondContact O-NH2 3.37Å; L343-R434 VanDerWaalsContact O-NH2 3.07Å
344D97.5Very high95.2Very high3 Ų330.4 Ų30.42%0.01617%0.165CC..  trans-83.1103.6177.5-1761.4000112I227 G346 M347 R400 R434I227-D344 WeakPolarHBondContact CG2-O 3.38Å; D344-G346 PolarHBondContact O-N 3.43Å; D344-G346 VanDerWaalsContact O-N 3.08Å; D344-G346 PolarHBondContact OD1-N 3.33Å; D344-M347 HydrophobicContact CB-CE 3.83Å; D344-M347 HydrophobicContact CB-CG 3.88Å; D344-M347 HydrophobicContact CB-SD 3.99Å; D344-M347 WeakPolarHBondContact O-CB 3.48Å; D344-M347 PolarHBondContact O-N 3.39Å; D344-R400 VanDerWaalsContact CG-NH2 3.33Å; D344-R400 IonicContact OD1-CZ 2.66Å; D344-R400 IonicContact OD1-NE 3.92Å; D344-R400 IonicContact OD1-NH2 2.79Å; D344-R400 PolarHBondContact OD1-NH2 2.76Å; D344-R400 IonicContact OD2-CZ 3.31Å; D344-R400 VanDerWaalsContact OD2-CZ 3.31Å; D344-R400 IonicContact OD2-NE 3.82Å; D344-R400 PolarHBondContact OD2-NE 3.38Å; D344-R400 IonicContact OD2-NH2 3.71Å; D344-R400 PolarHBondContact OD2-NH2 2.92Å; D344-R434 VanDerWaalsContact CB-NH2 3.33Å; D344-R434 IonicContact OD1-CZ 2.66Å; D344-R434 IonicContact OD1-NE 3.89Å; D344-R434 PolarHBondContact OD1-NE 2.88Å; D344-R434 IonicContact OD2-NE 2.79Å
345P96.5Very high95.1Very high60 Ų6027 Ų2739%0.3915%0.152SC..THydrogen-bonded Turntrans-65-15.2-178.730.3-36.6000113.1R228 I231 L343 M347R228-P345 HydrophobicContact CG-CB 4.36Å; R228-P345 PolarHBondContact NE-O 3.34Å; R228-P345 PolarHBondContact NH2-O 2.67Å; I231-P345 HydrophobicContact CD1-CB 4.08Å; L343-P345 WeakPolarHBondContact O-CD 3.27Å; P345-M347 VanDerWaalsContact C-N 3.29Å
346G96.1Very high95.1Very high23 Ų2319.7 Ų19.724%0.23712%0.12CC..THydrogen-bonded Turntrans-79.7-6.2173.700000114.4D344 R396D344-G346 PolarHBondContact O-N 3.43Å; D344-G346 VanDerWaalsContact O-N 3.08Å; D344-G346 PolarHBondContact OD1-N 3.33Å; G346-R396 PolarHBondContact O-NH1 3.3Å; G346-R396 PolarHBondContact O-NH2 3.46Å
347M95.2Very high95.1Very high1 Ų119.6 Ų19.61%0.00512%0.12CC..SBendtrans-77.3142.2168.3-70.5178.7-175.400110.8I227 D344 P345 E353 E356 N397 V401I227-M347 HydrophobicContact CD1-CB 3.96Å; I227-M347 HydrophobicContact CG1-CB 4.07Å; D344-M347 HydrophobicContact CB-CE 3.83Å; D344-M347 HydrophobicContact CB-CG 3.88Å; D344-M347 HydrophobicContact CB-SD 3.99Å; D344-M347 WeakPolarHBondContact O-CB 3.48Å; D344-M347 PolarHBondContact O-N 3.39Å; P345-M347 VanDerWaalsContact C-N 3.29Å; M347-E353 HydrophobicContact SD-CB 3.83Å; M347-E356 HydrophobicContact CE-CB 3.87Å; M347-E356 HydrophobicContact CE-CG 3.87Å; M347-N397 WeakPolarHBondContact CA-OD1 3.37Å; M347-N397 HydrophobicContact CB-CB 4.45Å; M347-N397 HydrophobicContact CG-CB 4.07Å; M347-N397 HydrophobicContact SD-CB 4.35Å; M347-V401 HydrophobicContact CE-CG2 3.33Å
348D89.9Confident95.1Very high40 Ų4019.6 Ų19.621%0.21412%0.12CC..  trans-105.9139.7-177.2-68.9-41.8000111.3R228 Y350 Y393 R396 N397R228-D348 IonicContact NH2-OD1 2.76Å; R228-D348 PolarHBondContact NH2-OD1 3.5Å; D348-Y350 VanDerWaalsContact C-N 3.33Å; D348-Y350 PolarHBondContact O-N 3.31Å; D348-Y393 HydrophobicContact CB-CD1 3.63Å; D348-Y393 HydrophobicContact CB-CE1 3.97Å; D348-R396 IonicContact OD2-CZ 3.51Å; D348-R396 IonicContact OD2-NE 3.7Å; D348-R396 IonicContact OD2-NH1 2.68Å; D348-R396 PolarHBondContact OD2-NH1 2.88Å; D348-R396 IonicContact OD2-NH2 3.67Å; D348-N397 PolarHBondContact N-OD1 3.47Å; D348-N397 PolarHBondContact O-ND2 2.9Å
349V85.7Confident95.1Very high37 Ų3718.3 Ų18.322%0.22411%0.106CC..SBendtrans57.9-79.5171.2-1720000114.5L226 Y393L226-V349 WeakPolarHBondContact CB-O 3.41Å; L226-V349 PolarHBondContact N-O 3.05Å; V349-Y393 HydrophobicContact CB-CD2 4.37Å; V349-Y393 HydrophobicContact CB-CG 4.24Å; V349-Y393 HydrophobicContact CG2-CD1 4.06Å; V349-Y393 HydrophobicContact CG2-CD2 4.14Å; V349-Y393 HydrophobicContact CG2-CE1 3.97Å; V349-Y393 HydrophobicContact CG2-CE2 4.06Å; V349-Y393 HydrophobicContact CG2-CG 4.13Å
350Y86.4Confident95.1Very high66 Ų6614 Ų1426%0.2599%0.086SC..SBendtrans-162.3142.1-170174.3-94000111.8L226 D348 K384 T394L226-Y350 HydrophobicContact CD1-CD2 3.89Å; L226-Y350 HydrophobicContact CD1-CE2 4.28Å; D348-Y350 VanDerWaalsContact C-N 3.33Å; D348-Y350 PolarHBondContact O-N 3.31Å; Y350-K384 VanDerWaalsContact CZ-NZ 3.29Å; Y350-K384 PolarHBondContact OH-NZ 2.86Å; Y350-T394 HydrophobicContact CD1-CG2 4.41Å
351G88Confident95.1Very high3 Ų313.8 Ų13.83%0.0319%0.085CC..SBendtrans114.5136.416600000112.7E353 N397G351-E353 VanDerWaalsContact CA-OE2 3.24Å; G351-E353 WeakPolarHBondContact CA-OE2 3.47Å; G351-E353 PolarHBondContact N-OE2 3.03Å; G351-E353 PolarHBondContact O-N 2.87Å; G351-N397 WeakPolarHBondContact O-CB 3.38Å; G351-N397 PolarHBondContact O-ND2 3.47Å
352G92.5Very high95.2Very high5 Ų514.1 Ų14.15%0.0528%0.081CC..SBendtrans81.2-17.9176.500000114.6N354 I355 E356G352-N354 VanDerWaalsContact C-N 3.31Å; G352-N354 PolarHBondContact O-N 2.89Å; G352-I355 PolarHBondContact O-N 3.08Å; G352-E356 WeakPolarHBondContact O-CB 3.37Å; G352-E356 PolarHBondContact O-N 2.96Å
353E95.3Very high95.2Very high1 Ų113 Ų131%0.0058%0.075CC..Hα-helixtrans-65.9-35.2-177.579.9-67161.300112.8L226 I227 L343 M347 G351 L357L226-E353 HydrophobicContact CD2-CG 3.66Å; I227-E353 HydrophobicContact CD1-CB 4.05Å; I227-E353 HydrophobicContact CD1-CG 4.21Å; I227-E353 HydrophobicContact CG1-CB 3.58Å; I227-E353 HydrophobicContact CG1-CG 3.9Å; L343-E353 HydrophobicContact CD2-CB 4.37Å; M347-E353 HydrophobicContact SD-CB 3.83Å; G351-E353 VanDerWaalsContact CA-OE2 3.24Å; G351-E353 WeakPolarHBondContact CA-OE2 3.47Å; G351-E353 PolarHBondContact N-OE2 3.03Å; G351-E353 PolarHBondContact O-N 2.87Å; E353-L357 WeakPolarHBondContact O-CB 3.22Å; E353-L357 PolarHBondContact O-N 2.94Å
354N95.5Very high95.2Very high6 Ų613.8 Ų13.83%0.0328%0.08CC..Hα-helixtrans-70-36.4177.763.1-46.5000111.3C301 M325 G352 G358C301-N354 WeakPolarHBondContact CB-ND2 3.4Å; M325-N354 HydrophobicContact CE-CB 4.45Å; M325-N354 HydrophobicContact CG-CB 4.02Å; M325-N354 VanDerWaalsContact CG-O 3.22Å; M325-N354 WeakPolarHBondContact CG-O 3.44Å; M325-N354 PolarHBondContact O-ND2 3.4Å; G352-N354 VanDerWaalsContact C-N 3.31Å; G352-N354 PolarHBondContact O-N 2.89Å; N354-G358 PolarHBondContact O-N 2.97Å
355I97.6Very high95.2Very high0 Ų015.8 Ų15.80%010%0.102CC..Hα-helixtrans-74.2-43175.3-53.4-47.9000110.7Y295 L299 C301 A324 G352 L357 G358 I359Y295-I355 HydrophobicContact CD1-CD1 4.25Å; Y295-I355 HydrophobicContact CD1-CG2 3.91Å; Y295-I355 HydrophobicContact CD2-CG2 3.62Å; Y295-I355 HydrophobicContact CE1-CG2 4.07Å; Y295-I355 HydrophobicContact CE2-CG2 3.82Å; Y295-I355 HydrophobicContact CG-CD1 4.01Å; Y295-I355 HydrophobicContact CG-CG1 4.35Å; Y295-I355 HydrophobicContact CG-CG2 3.7Å; L299-I355 HydrophobicContact CB-CB 4.42Å; L299-I355 HydrophobicContact CB-CG1 4.24Å; L299-I355 HydrophobicContact CB-CG2 4.37Å; L299-I355 HydrophobicContact CD2-CG2 4.28Å; L299-I355 WeakPolarHBondContact O-CG1 3.47Å; C301-I355 HydrophobicContact CB-CD1 3.92Å; A324-I355 HydrophobicContact CB-CD1 3.86Å; G352-I355 PolarHBondContact O-N 3.08Å; I355-L357 VanDerWaalsContact C-N 3.31Å; I355-L357 PolarHBondContact O-N 2.96Å; I355-G358 PolarHBondContact O-N 3.45Å; I355-I359 HydrophobicContact CG2-CD1 3.84Å; I355-I359 HydrophobicContact CG2-CG1 4.42Å; I355-I359 WeakPolarHBondContact O-CG1 3.42Å; I355-I359 PolarHBondContact O-N 3.34Å
356E98.1Very high95.3Very high0 Ų013.4 Ų13.40%09%0.088CC..Hα-helixtrans-54.5-48.5173.8-171.4-104.7-170.600111.4M347 G352 G358 I359 K360 V401 W405 R434M347-E356 HydrophobicContact CE-CB 3.87Å; M347-E356 HydrophobicContact CE-CG 3.87Å; G352-E356 WeakPolarHBondContact O-CB 3.37Å; G352-E356 PolarHBondContact O-N 2.96Å; E356-G358 VanDerWaalsContact C-N 3.33Å; E356-G358 PolarHBondContact O-N 3.07Å; E356-I359 PolarHBondContact O-N 3.49Å; E356-K360 WeakPolarHBondContact O-CB 3.42Å; E356-K360 PolarHBondContact O-N 2.98Å; E356-K360 IonicContact OE1-NZ 2.86Å; E356-K360 PolarHBondContact OE1-NZ 3.42Å; E356-K360 IonicContact OE2-NZ 3.99Å; E356-K360 PolarHBondContact OE2-NZ 3.08Å; E356-V401 HydrophobicContact CB-CG1 4.22Å; E356-V401 HydrophobicContact CB-CG2 3.69Å; E356-V401 HydrophobicContact CG-CG1 4.45Å; E356-V401 HydrophobicContact CG-CG2 4.08Å; E356-W405 PolarHBondContact OE1-NE1 2.84Å; E356-R434 IonicContact OE1-CZ 3.17Å; E356-R434 IonicContact OE1-NH2 3.17Å; E356-R434 PolarHBondContact OE1-NH2 2.93Å
357L97.9Very high95.4Very high0 Ų013.2 Ų13.20%08%0.083CC..Hα-helixtrans-61.6-43.6178.9-176.857.6000111.1M325 F330 F337 I340 L343 E353 I355 K360 V361M325-L357 HydrophobicContact SD-CD2 3.83Å; M325-L357 HydrophobicContact SD-CG 4.43Å; F330-L357 HydrophobicContact CD2-CD2 4.06Å; F330-L357 HydrophobicContact CE1-CD2 4.45Å; F330-L357 HydrophobicContact CE2-CD2 3.7Å; F330-L357 HydrophobicContact CZ-CD2 3.91Å; F337-L357 HydrophobicContact CD2-CD1 4.4Å; F337-L357 HydrophobicContact CE2-CD1 3.84Å; F337-L357 HydrophobicContact CE2-CD2 4.06Å; I340-L357 HydrophobicContact CD1-CD1 4.1Å; L343-L357 HydrophobicContact CD2-CB 4.04Å; L343-L357 HydrophobicContact CD2-CD2 4.04Å; L343-L357 HydrophobicContact CD2-CG 4.46Å; E353-L357 WeakPolarHBondContact O-CB 3.22Å; E353-L357 PolarHBondContact O-N 2.94Å; I355-L357 VanDerWaalsContact C-N 3.31Å; I355-L357 PolarHBondContact O-N 2.96Å; L357-K360 PolarHBondContact O-N 3.31Å; L357-V361 HydrophobicContact CD1-CG2 3.79Å; L357-V361 HydrophobicContact CG-CG2 4.18Å; L357-V361 WeakPolarHBondContact O-CB 3.46Å; L357-V361 WeakPolarHBondContact O-CG2 3.49Å; L357-V361 PolarHBondContact O-N 3.47Å
358G97.7Very high95.6Very high0 Ų013.2 Ų13.20%08%0.083CC..Hα-helixtrans-62-47.1179.100000113.6N354 I355 E356 W362 M368N354-G358 PolarHBondContact O-N 2.97Å; I355-G358 PolarHBondContact O-N 3.45Å; E356-G358 VanDerWaalsContact C-N 3.33Å; E356-G358 PolarHBondContact O-N 3.07Å; G358-W362 VanDerWaalsContact O-CD1 3.29Å; G358-W362 PolarHBondContact O-N 3.05Å; G358-M368 WeakPolarHBondContact CA-SD 3.42Å
359I98.4Very high95.9Very high0 Ų012.3 Ų12.30%08%0.078CC..Hα-helixtrans-60.2-50.1174.9-65.9168000110.2Y295 I355 E356 V361 W362 L363 V401 W405 M406 F446 Y449Y295-I359 HydrophobicContact CE2-CD1 4.48Å; I355-I359 HydrophobicContact CG2-CD1 3.84Å; I355-I359 HydrophobicContact CG2-CG1 4.42Å; I355-I359 WeakPolarHBondContact O-CG1 3.42Å; I355-I359 PolarHBondContact O-N 3.34Å; E356-I359 PolarHBondContact O-N 3.49Å; I359-V361 PolarHBondContact O-N 3.23Å; I359-W362 PolarHBondContact O-N 3.11Å; I359-L363 HydrophobicContact CG2-CD1 3.54Å; I359-L363 HydrophobicContact CG2-CG 4.05Å; I359-L363 WeakPolarHBondContact O-CB 3.38Å; I359-L363 VanDerWaalsContact O-CG 3.27Å; I359-L363 WeakPolarHBondContact O-CG 3.22Å; I359-L363 PolarHBondContact O-N 2.84Å; I359-V401 HydrophobicContact CD1-CG1 4.2Å; I359-W405 HydrophobicContact CG2-CB 3.93Å; I359-M406 HydrophobicContact CD1-CE 3.43Å; I359-M406 VanDerWaalsContact CD1-CE 3.43Å; I359-F446 HydrophobicContact CD1-CE2 3.82Å; I359-F446 HydrophobicContact CD1-CZ 4.42Å; I359-F446 HydrophobicContact CG1-CE2 4.04Å; I359-F446 HydrophobicContact CG2-CD2 3.93Å; I359-F446 HydrophobicContact CG2-CE2 3.87Å; I359-Y449 HydrophobicContact CG1-CE1 4.26Å; I359-Y449 HydrophobicContact CG1-CE2 4.34Å
360K98Very high96.6Very high0 Ų010.7 Ų10.70%07%0.068CC..Hα-helixtrans-60.3-46.7-177.1178.9167.471.2-152.20112.9I340 L342 E356 L357 W362 L363 C364 W405I340-K360 WeakPolarHBondContact O-CD 3.35Å; I340-K360 WeakPolarHBondContact O-CE 3.44Å; L342-K360 VanDerWaalsContact O-CE 3.3Å; L342-K360 WeakPolarHBondContact O-CE 3.44Å; L342-K360 PolarHBondContact O-NZ 3.11Å; E356-K360 WeakPolarHBondContact O-CB 3.42Å; E356-K360 PolarHBondContact O-N 2.98Å; E356-K360 IonicContact OE1-NZ 2.86Å; E356-K360 PolarHBondContact OE1-NZ 3.42Å; E356-K360 IonicContact OE2-NZ 3.99Å; E356-K360 PolarHBondContact OE2-NZ 3.08Å; L357-K360 PolarHBondContact O-N 3.31Å; K360-W362 VanDerWaalsContact C-N 3.32Å; K360-W362 PolarHBondContact O-N 3.46Å; K360-L363 PolarHBondContact O-N 3.34Å; K360-C364 VanDerWaalsContact O-CB 3.25Å; K360-C364 WeakPolarHBondContact O-CB 3.17Å; K360-C364 PolarHBondContact O-N 3.02Å; K360-C364 PolarHBondContact O-SG 2.86Å; K360-W405 HydrophobicContact CB-CE3 4.45Å; K360-W405 HydrophobicContact CB-CH2 4.09Å; K360-W405 HydrophobicContact CB-CZ2 4.17Å; K360-W405 HydrophobicContact CB-CZ3 4.22Å; K360-W405 HydrophobicContact CD-CH2 3.5Å; K360-W405 VanDerWaalsContact CD-CH2 3.5Å; K360-W405 HydrophobicContact CD-CZ2 3.38Å; K360-W405 HydrophobicContact CD-CZ3 4.4Å; K360-W405 HydrophobicContact CG-CH2 3.51Å; K360-W405 HydrophobicContact CG-CZ2 3.83Å; K360-W405 HydrophobicContact CG-CZ3 3.95Å
361V98.5Very high97.1Very high0 Ų07.8 Ų7.80%06%0.057CC..Hα-helixtrans-56.3-49.1179.6166.60000110.3V270 I340 L357 I359 G365 G366 M368V270-V361 HydrophobicContact CG2-CG1 4Å; V270-V361 HydrophobicContact CG2-CG2 3.66Å; I340-V361 HydrophobicContact CD1-CG2 3.82Å; L357-V361 HydrophobicContact CD1-CG2 3.79Å; L357-V361 HydrophobicContact CG-CG2 4.18Å; L357-V361 WeakPolarHBondContact O-CB 3.46Å; L357-V361 WeakPolarHBondContact O-CG2 3.49Å; L357-V361 PolarHBondContact O-N 3.47Å; I359-V361 PolarHBondContact O-N 3.23Å; V361-G365 PolarHBondContact O-N 3.13Å; V361-G366 CarbonylContact O-C 3.54Å; V361-G366 VanDerWaalsContact O-CA 3.26Å; V361-G366 WeakPolarHBondContact O-CA 3.39Å; V361-G366 PolarHBondContact O-N 3.43Å; V361-M368 HydrophobicContact CB-CG 4.18Å; V361-M368 HydrophobicContact CG1-CG 3.77Å
362W98.6Very high97.6Very high25 Ų257.7 Ų7.710%0.0956%0.055CC..Hα-helixtrans-67.5-44.7179.7-82108.6000113.1R321 T322 G358 I359 K360 C364 W448 Y449 V453R321-W362 HydrophobicContact CG-CH2 3.85Å; R321-W362 HydrophobicContact CG-CZ2 3.66Å; T322-W362 PolarHBondContact O-NE1 3.25Å; G358-W362 VanDerWaalsContact O-CD1 3.29Å; G358-W362 PolarHBondContact O-N 3.05Å; I359-W362 PolarHBondContact O-N 3.11Å; K360-W362 VanDerWaalsContact C-N 3.32Å; K360-W362 PolarHBondContact O-N 3.46Å; W362-C364 VanDerWaalsContact C-N 3.28Å; W362-C364 PolarHBondContact O-N 3.46Å; W362-W448 HydrophobicContact CE3-CH2 4.47Å; W362-Y449 HydrophobicContact CB-CD2 3.68Å; W362-Y449 HydrophobicContact CB-CE2 3.82Å; W362-Y449 AromaticContact CD1-CE2 3.88Å; W362-Y449 HydrophobicContact CG-CD2 4.27Å; W362-Y449 HydrophobicContact CG-CE2 4.04Å; W362-V453 HydrophobicContact CB-CG1 4.37Å; W362-V453 HydrophobicContact CB-CG2 4.08Å; W362-V453 HydrophobicContact CD2-CB 4.33Å; W362-V453 HydrophobicContact CD2-CG1 3.54Å; W362-V453 HydrophobicContact CD2-CG2 3.73Å; W362-V453 HydrophobicContact CE3-CG1 4.24Å; W362-V453 HydrophobicContact CE3-CG2 3.69Å; W362-V453 HydrophobicContact CG-CB 4.39Å; W362-V453 HydrophobicContact CG-CG1 3.58Å; W362-V453 HydrophobicContact CG-CG2 3.93Å; W362-V453 HydrophobicContact CZ2-CG1 4.23Å; W362-V453 HydrophobicContact CZ3-CG2 4.43Å
363L98.5Very high97.8Very high2 Ų27.7 Ų7.71%0.016%0.055CC..Hα-helixtrans-65.1-32.9-179.7-69.8-175000112.5I359 K360 W405 C443 K444 N445 F446 W448I359-L363 HydrophobicContact CG2-CD1 3.54Å; I359-L363 HydrophobicContact CG2-CG 4.05Å; I359-L363 WeakPolarHBondContact O-CB 3.38Å; I359-L363 VanDerWaalsContact O-CG 3.27Å; I359-L363 WeakPolarHBondContact O-CG 3.22Å; I359-L363 PolarHBondContact O-N 2.84Å; K360-L363 PolarHBondContact O-N 3.34Å; L363-W405 HydrophobicContact CD1-CE3 4.11Å; L363-C443 HydrophobicContact CB-CB 4.12Å; L363-C443 CarbonylContact O-C 3.6Å; L363-C443 VanDerWaalsContact O-CA 3.28Å; L363-C443 WeakPolarHBondContact O-CA 3.05Å; L363-C443 WeakPolarHBondContact O-CB 3.2Å; L363-K444 HydrophobicContact CD2-CB 4.07Å; L363-K444 PolarHBondContact O-N 2.84Å; L363-N445 WeakPolarHBondContact CD2-O 3.06Å; L363-F446 HydrophobicContact CD1-CD2 4.49Å; L363-W448 HydrophobicContact CD2-CE3 4.38Å
364C98Very high98Very high17 Ų177.7 Ų7.712%0.1156%0.055CC..THydrogen-bonded Turntrans-101.924.6-173.8-52.20000113.2K360 W362 L441 C443K360-C364 VanDerWaalsContact O-CB 3.25Å; K360-C364 WeakPolarHBondContact O-CB 3.17Å; K360-C364 PolarHBondContact O-N 3.02Å; K360-C364 PolarHBondContact O-SG 2.86Å; W362-C364 VanDerWaalsContact C-N 3.28Å; W362-C364 PolarHBondContact O-N 3.46Å; C364-L441 HydrophobicContact CB-CD1 4.35Å; C364-C443 HydrophobicContact CB-CB 4.13Å; C364-C443 WeakPolarHBondContact CB-SG 3.13Å; C364-C443 WeakPolarHBondContact SG-CB 3.39Å; C364-C443 CovalentContact SG-SG 2.05Å; C364-C443 PolarHBondContact SG-SG 2.75Å
365G96.8Very high98Very high46 Ų467.5 Ų7.547%0.4745%0.054SC..THydrogen-bonded Turntrans85.316.216700000116K268 V361K268-G365 WeakPolarHBondContact CD-O 3.19Å; V361-G365 PolarHBondContact O-N 3.13Å
366G98.4Very high98.1Very high10 Ų107.6 Ų7.610%0.1035%0.054CC..  trans-97.7-169.9164.900000112.6K268 V361K268-G366 WeakPolarHBondContact O-CA 3.41Å; V361-G366 CarbonylContact O-C 3.54Å; V361-G366 VanDerWaalsContact O-CA 3.26Å; V361-G366 WeakPolarHBondContact O-CA 3.39Å; V361-G366 PolarHBondContact O-N 3.43Å
367S98.5Very high98.1Very high19 Ų197.6 Ų7.613%0.1335%0.054CC..EExtended strand (participates in β ladder)trans-150158.217651.40000110.7K268 R269 V270K268-S367 PolarHBondContact O-N 3.09Å; K268-S367 VanDerWaalsContact O-N 3.1Å; R269-S367 WeakPolarHBondContact CA-O 3.46Å; R269-S367 WeakPolarHBondContact CG-OG 3.15Å; V270-S367 PolarHBondContact N-O 3.35Å
368M98.4Very high98Very high0 Ų09.1 Ų9.10%06%0.061CC..EExtended strand (participates in β ladder)trans-123.5137.8176.5-58.2-164.37800112.1V270 L272 T322 M325 G358 V361V270-M368 HydrophobicContact CB-CE 4.03Å; V270-M368 HydrophobicContact CB-CG 4.21Å; V270-M368 HydrophobicContact CG1-CE 3.71Å; V270-M368 WeakPolarHBondContact O-CA 3.01Å; L272-M368 HydrophobicContact CD1-CE 4.17Å; L272-M368 HydrophobicContact CD2-CE 3.91Å; L272-M368 HydrophobicContact CG-CE 4.25Å; T322-M368 HydrophobicContact CG2-CB 3.63Å; T322-M368 PolarHBondContact N-O 2.96Å; T322-M368 VanDerWaalsContact N-O 3.13Å; M325-M368 HydrophobicContact CB-CE 3.72Å; M325-M368 HydrophobicContact CG-CE 3.87Å; M325-M368 HydrophobicContact SD-CE 3.9Å; G358-M368 WeakPolarHBondContact CA-SD 3.42Å; V361-M368 HydrophobicContact CB-CG 4.18Å; V361-M368 HydrophobicContact CG1-CG 3.77Å
369E98.3Very high98Very high22 Ų229.2 Ų9.210%0.1036%0.062CC..EExtended strand (participates in β ladder)trans-136.8131.5-177.5-60174.8176.400110.4R262 R269 V270 I271 L272 P319 I320 L371R262-E369 IonicContact CZ-OE1 3.86Å; R262-E369 IonicContact CZ-OE2 2.89Å; R262-E369 VanDerWaalsContact CZ-OE2 3.29Å; R262-E369 IonicContact NE-OE2 3.72Å; R262-E369 PolarHBondContact NE-OE2 3Å; R262-E369 IonicContact NH2-OE1 2.98Å; R262-E369 PolarHBondContact NH2-OE1 2.86Å; R262-E369 IonicContact NH2-OE2 2.9Å; R262-E369 PolarHBondContact NH2-OE2 3.25Å; R269-E369 IonicContact NE-OE1 2.8Å; R269-E369 PolarHBondContact NE-OE1 3.13Å; V270-E369 PolarHBondContact O-N 2.79Å; V270-E369 VanDerWaalsContact O-N 3.15Å; I271-E369 HydrophobicContact CD1-CB 3.99Å; L272-E369 PolarHBondContact N-O 3.15Å; P319-E369 HydrophobicContact CB-CB 4.27Å; P319-E369 HydrophobicContact CB-CG 4.41Å; I320-E369 CarbonylContact O-C 3.44Å; I320-E369 VanDerWaalsContact O-CA 3.28Å; I320-E369 WeakPolarHBondContact O-CA 3.47Å; E369-L371 HydrophobicContact CB-CD2 4.34Å
370V98.4Very high97.5Very high2 Ų214.3 Ų14.31%0.0129%0.085CC..EExtended strand (participates in β ladder)trans-85.6131161.3179.40000107.8L272 I320 T322 P372L272-V370 HydrophobicContact CB-CG2 4.09Å; L272-V370 HydrophobicContact CD1-CG2 3.95Å; L272-V370 CarbonylContact O-C 3.6Å; L272-V370 VanDerWaalsContact O-CA 3.29Å; L272-V370 WeakPolarHBondContact O-CA 3.4Å; I320-V370 HydrophobicContact CB-CB 4.23Å; I320-V370 PolarHBondContact N-O 3.02Å; I320-V370 PolarHBondContact O-N 2.98Å; T322-V370 HydrophobicContact CG2-CG2 4.03Å; V370-P372 WeakPolarHBondContact O-CD 3.38Å
371L97.8Very high97.1Very high6 Ų616 Ų163%0.0319%0.092CC..EExtended strand (participates in β ladder)trans-105.9110.5-179.3-64.5-172.5000111.6P258 V259 R262 I271 L272 S274 P319 E369 C373 S374P258-L371 HydrophobicContact CB-CD1 4.47Å; V259-L371 HydrophobicContact CG2-CD1 4.16Å; R262-L371 HydrophobicContact CB-CD1 4.42Å; R262-L371 HydrophobicContact CG-CD1 3.8Å; R262-L371 HydrophobicContact CG-CD2 4.16Å; I271-L371 HydrophobicContact CD1-CD1 4.45Å; I271-L371 HydrophobicContact CG2-CD1 3.32Å; I271-L371 HydrophobicContact CG2-CG 3.64Å; L272-L371 PolarHBondContact O-N 2.81Å; S274-L371 PolarHBondContact N-O 3.39Å; S274-L371 PolarHBondContact OG-O 2.94Å; P319-L371 HydrophobicContact CB-CD2 3.58Å; P319-L371 HydrophobicContact CG-CD2 3.7Å; E369-L371 HydrophobicContact CB-CD2 4.34Å; L371-C373 PolarHBondContact O-N 3.13Å; L371-S374 PolarHBondContact O-N 3.03Å; L371-S374 VanDerWaalsContact O-N 3.11Å
372P97.8Very high96.4Very high0 Ų022.6 Ų22.60%012%0.121CC..EExtended strand (participates in β ladder)trans-56-32.1170.3-32.640.5000114.8P139 S274 N290 W310 P316 L318 I320 V370 S374P139-P372 WeakPolarHBondContact CD-O 3.42Å; P139-P372 HydrophobicContact CG-CB 4.06Å; S274-P372 WeakPolarHBondContact OG-CA 3.33Å; N290-P372 HydrophobicContact CB-CG 4.31Å; W310-P372 HydrophobicContact CZ2-CG 4.39Å; P316-P372 WeakPolarHBondContact O-CB 3.29Å; P316-P372 VanDerWaalsContact O-CG 3.32Å; P316-P372 WeakPolarHBondContact O-CG 3.37Å; L318-P372 VanDerWaalsContact O-CD 3.29Å; L318-P372 WeakPolarHBondContact O-CD 3.15Å; L318-P372 WeakPolarHBondContact O-CG 3.39Å; I320-P372 HydrophobicContact CD1-CG 3.99Å; I320-P372 HydrophobicContact CG1-CG 4.3Å; V370-P372 WeakPolarHBondContact O-CD 3.38Å; P372-S374 VanDerWaalsContact C-N 3.29Å; P372-S374 PolarHBondContact O-N 2.87Å
373C97.9Very high95.6Very high6 Ų625.6 Ų25.64%0.04113%0.134CC..EExtended strand (participates in β ladder)trans-79.3-4.2179.2-60.70000114.5R138 C142 P258 S317 L371R138-C373 WeakPolarHBondContact CD-O 3.43Å; C142-C373 HydrophobicContact CB-CB 3.61Å; C142-C373 WeakPolarHBondContact CB-SG 3.38Å; C142-C373 WeakPolarHBondContact SG-CA 3.43Å; C142-C373 WeakPolarHBondContact SG-CB 3.3Å; C142-C373 CovalentContact SG-SG 2.04Å; C142-C373 PolarHBondContact SG-SG 2.86Å; P258-C373 HydrophobicContact CB-CB 4.16Å; P258-C373 HydrophobicContact CG-CB 4.16Å; P258-C373 WeakPolarHBondContact CG-O 3.35Å; S317-C373 PolarHBondContact O-SG 3.1Å; S317-C373 VanDerWaalsContact O-SG 3.38Å; L371-C373 PolarHBondContact O-N 3.13Å
374S98Very high94.6Very high0 Ų030.1 Ų30.10%015%0.154CC..EExtended strand (participates in β ladder)trans-122.9122.3173.2-179.40000108.7W255 V259 P273 S274 L371 P372W255-S374 VanDerWaalsContact O-CB 3.25Å; W255-S374 WeakPolarHBondContact O-CB 3.37Å; W255-S374 PolarHBondContact O-OG 2.99Å; V259-S374 WeakPolarHBondContact CG2-OG 3.48Å; P273-S374 CarbonylContact C-O 3.51Å; P273-S374 WeakPolarHBondContact CA-O 3.48Å; S274-S374 PolarHBondContact N-O 3.16Å; L371-S374 PolarHBondContact O-N 3.03Å; L371-S374 VanDerWaalsContact O-N 3.11Å; P372-S374 VanDerWaalsContact C-N 3.29Å; P372-S374 PolarHBondContact O-N 2.87Å
375R97.5Very high93.3Very high3 Ų331.6 Ų31.61%0.01116%0.163CC..EExtended strand (participates in β ladder)trans-129.6140-176.2-51.9-170.172.486.5-3.3112.1Y137 R138 T252 S274 D276 Y288 N290Y137-R375 VanDerWaalsContact C-CD 3.48Å; R138-R375 HydrophobicContact CG-CG 3.85Å; T252-R375 HydrophobicContact CG2-CB 4.28Å; T252-R375 PolarHBondContact N-O 3.49Å; T252-R375 PolarHBondContact OG1-O 3.33Å; S274-R375 VanDerWaalsContact O-CA 3.3Å; S274-R375 WeakPolarHBondContact O-CA 3.03Å; D276-R375 IonicContact OD1-CZ 2.66Å; D276-R375 IonicContact OD1-NE 2.77Å; D276-R375 PolarHBondContact OD1-NE 2.96Å; D276-R375 IonicContact OD1-NH2 2.68Å; D276-R375 PolarHBondContact OD1-NH2 2.86Å; D276-R375 IonicContact OD2-CZ 3.19Å; D276-R375 IonicContact OD2-NE 2.75Å; D276-R375 PolarHBondContact OD2-NE 3.33Å; D276-R375 IonicContact OD2-NH2 3.55Å; Y288-R375 PolarHBondContact O-NH2 3.11Å; N290-R375 PolarHBondContact OD1-NH1 3.02Å
376V97.7Very high91.8Very high2 Ų233.1 Ų33.11%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-133.8130.8175.1175.80000107.6F245 V249 F251 W255 P273 S274 I275 D276F245-V376 HydrophobicContact CE1-CG2 4.2Å; V249-V376 HydrophobicContact CB-CG1 3.69Å; V249-V376 HydrophobicContact CG1-CG1 4.09Å; V249-V376 HydrophobicContact CG2-CG1 4.2Å; F251-V376 HydrophobicContact CD1-CG2 3.79Å; F251-V376 HydrophobicContact CE1-CG2 4.02Å; W255-V376 HydrophobicContact CE3-CG2 4.43Å; P273-V376 HydrophobicContact CB-CB 4.32Å; P273-V376 HydrophobicContact CB-CG2 3.82Å; P273-V376 HydrophobicContact CG-CG2 4.08Å; S274-V376 PolarHBondContact O-N 3.43Å; I275-V376 CarbonylContact C-O 3.59Å; I275-V376 WeakPolarHBondContact CA-O 3.3Å; D276-V376 PolarHBondContact N-O 3.48Å
377A98Very high90Very high0 Ų035 Ų350%016%0.163CC..EExtended strand (participates in β ladder)trans-87.4138.4175.500000109.7I134 V249 E250 D276 I278 V285I134-A377 HydrophobicContact CD1-CB 4.36Å; V249-A377 CarbonylContact C-O 3.38Å; V249-A377 WeakPolarHBondContact CA-O 3.27Å; V249-A377 WeakPolarHBondContact CB-O 3Å; E250-A377 HydrophobicContact CB-CB 4.46Å; E250-A377 PolarHBondContact N-O 2.64Å; E250-A377 PolarHBondContact O-N 2.96Å; D276-A377 HydrophobicContact CB-CB 4.08Å; D276-A377 CarbonylContact O-C 3.54Å; D276-A377 WeakPolarHBondContact O-CA 3.48Å; I278-A377 HydrophobicContact CD1-CB 3.77Å; I278-A377 HydrophobicContact CG1-CB 3.58Å; V285-A377 HydrophobicContact CG1-CB 3.91Å
378H97.5Very high88.1Confident32 Ų3240.3 Ų40.315%0.14820%0.2CC..EExtended strand (participates in β ladder)trans-130.3137.5-175-178.8-82.8000110.7D246 H248 V249 I275 D276 I278 C328 E380D246-H378 IonicContact OD2-CD2 3.49Å; D246-H378 IonicContact OD2-NE2 3.35Å; D246-H378 PolarHBondContact OD2-NE2 2.75Å; H248-H378 AromaticContact CD2-CD2 3.95Å; H248-H378 AromaticContact CD2-CE1 3.51Å; H248-H378 AromaticContact CD2-NE2 3.32Å; H248-H378 PolarHBondContact CD2-NE2 2.7Å; H248-H378 VanDerWaalsContact CD2-NE2 3.32Å; H248-H378 AromaticContact NE2-CE1 3.4Å; H248-H378 PolarHBondContact NE2-CE1 3.34Å; H248-H378 AromaticContact NE2-NE2 3.18Å; H248-H378 PolarHBondContact NE2-NE2 2.78Å; H248-H378 VanDerWaalsContact NE2-NE2 3.18Å; V249-H378 HydrophobicContact CG1-CB 4.21Å; I275-H378 HydrophobicContact CG2-CB 3.8Å; D276-H378 PolarHBondContact O-N 3.36Å; I278-H378 PolarHBondContact N-O 3.27Å; C328-H378 VanDerWaalsContact CB-CD2 3.42Å; C328-H378 WeakPolarHBondContact CB-CD2 3.31Å; H378-E380 PolarHBondContact O-N 2.77Å
379I97.1Very high86.7Confident2 Ų244.5 Ų44.51%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-74.4112.9179-55.1-179.4000111Y120 V167 H248 I278 Q280 F283 R381Y120-I379 HydrophobicContact CD1-CG2 3.84Å; Y120-I379 HydrophobicContact CG-CG2 3.93Å; V167-I379 HydrophobicContact CG1-CD1 3.76Å; V167-I379 HydrophobicContact CG2-CD1 4.23Å; H248-I379 HydrophobicContact CB-CB 4.34Å; H248-I379 HydrophobicContact CB-CD1 4.01Å; H248-I379 HydrophobicContact CB-CG1 4.26Å; H248-I379 PolarHBondContact O-N 3.3Å; H248-I379 VanDerWaalsContact O-N 3.15Å; I278-I379 HydrophobicContact CB-CB 4.48Å; I278-I379 HydrophobicContact CB-CG1 3.93Å; I278-I379 HydrophobicContact CD1-CG1 3.91Å; I278-I379 HydrophobicContact CG2-CG1 4.05Å; Q280-I379 HydrophobicContact CB-CG2 4.27Å; F283-I379 HydrophobicContact CE1-CD1 3.66Å; F283-I379 HydrophobicContact CZ-CD1 3.82Å; I379-R381 PolarHBondContact O-N 2.6Å; I379-R381 VanDerWaalsContact O-N 3.13Å
380E88.4Confident85.6Confident106 Ų10645.7 Ų45.750%0.49523%0.229SC..EExtended strand (participates in β ladder)trans-77.797.3173.4-177.1-179.6-161.600111.1N277 I278 Q280 H378N277-E380 PolarHBondContact ND2-OE2 3.42Å; N277-E380 WeakPolarHBondContact OD1-CB 3.44Å; I278-E380 PolarHBondContact O-N 2.88Å; Q280-E380 WeakPolarHBondContact CB-O 3.22Å; Q280-E380 WeakPolarHBondContact CG-O 3.42Å; H378-E380 PolarHBondContact O-N 2.77Å
381R88.2Confident84.8Confident35 Ų3547.6 Ų47.613%0.13225%0.249CC..  trans-62.7141.6178.9-56.4-173179.5-111-4.9112.5Y118 G119 Y120 E163 H248 I379 K383 Y386Y118-R381 PolarHBondContact O-NH1 3.07Å; G119-R381 WeakPolarHBondContact O-CA 3.39Å; Y120-R381 HydrophobicContact CD1-CG 4.2Å; Y120-R381 VanDerWaalsContact CE1-CZ 3.44Å; Y120-R381 VanDerWaalsContact CE1-NH1 3.3Å; E163-R381 IonicContact OE1-CZ 3.42Å; E163-R381 IonicContact OE1-NH1 3.36Å; E163-R381 IonicContact OE1-NH2 3.28Å; E163-R381 PolarHBondContact OE1-NH2 3.02Å; E163-R381 IonicContact OE2-CZ 3.38Å; E163-R381 IonicContact OE2-NH2 3.65Å; E163-R381 PolarHBondContact OE2-NH2 3.43Å; H248-R381 PolarHBondContact CE1-NH2 3.44Å; H248-R381 VanDerWaalsContact CE1-NH2 3.3Å; H248-R381 PolarHBondContact ND1-NH2 3.27Å; I379-R381 PolarHBondContact O-N 2.6Å; I379-R381 VanDerWaalsContact O-N 3.13Å; R381-K383 VanDerWaalsContact C-N 3.26Å; R381-K383 VanDerWaalsContact CB-O 3.31Å; R381-K383 WeakPolarHBondContact CB-O 3.38Å; R381-K383 PolarHBondContact O-N 2.87Å; R381-Y386 PolarHBondContact NE-OH 3.35Å; R381-Y386 PolarHBondContact NH1-OH 3.23Å; R381-Y386 PolarHBondContact NH2-OH 3.17Å
382K85.1Confident84.4Confident140 Ų14051.5 Ų51.561%0.60927%0.266SS*.SBendtrans-61.7-33.8167.4-173-178.7178.1-170.90112.7G119 Q280G119-K382 PolarHBondContact O-N 3.41Å; Q280-K382 HydrophobicContact CG-CB 4.48Å
383K81.1Confident84Confident88 Ų8854.6 Ų54.638%0.38328%0.278SS..SBendtrans-153.8158.7176.666.2178.8-176.3-1800110.8E116 R381 P385E116-K383 WeakPolarHBondContact O-CE 3.13Å; E116-K383 PolarHBondContact O-NZ 3.09Å; E116-K383 IonicContact OE1-NZ 2.81Å; E116-K383 PolarHBondContact OE1-NZ 3.23Å; R381-K383 VanDerWaalsContact C-N 3.26Å; R381-K383 VanDerWaalsContact CB-O 3.31Å; R381-K383 WeakPolarHBondContact CB-O 3.38Å; R381-K383 PolarHBondContact O-N 2.87Å; K383-P385 WeakPolarHBondContact O-CD 3.43Å
384K77.1Confident83.7Confident96 Ų9654.5 Ų54.542%0.41728%0.277SS..  trans-89.1113.7173.8-64-179.7178.9-179.10109.2Y350 Y386 I390Y350-K384 VanDerWaalsContact CZ-NZ 3.29Å; Y350-K384 PolarHBondContact OH-NZ 2.86Å; K384-Y386 VanDerWaalsContact C-N 3.33Å; K384-Y386 HydrophobicContact CB-CD2 4.41Å; K384-Y386 PolarHBondContact O-N 3.24Å; K384-I390 HydrophobicContact CB-CD1 3.97Å; K384-I390 HydrophobicContact CD-CD1 4.01Å
385P71Confident83.5Confident49 Ų4957.2 Ų57.232%0.31829%0.289SS..THydrogen-bonded Turntrans-77.2-16.7-173.229.5-35000114.1K117 K383 N387K117-P385 WeakPolarHBondContact O-CB 3.34Å; K383-P385 WeakPolarHBondContact O-CD 3.43Å; P385-N387 PolarHBondContact O-N 2.84Å
386Y65.9Low83.4Confident78 Ų7858.2 Ų58.231%0.30629%0.293SS..THydrogen-bonded Turntrans-85.6-6.8-161.1-24.4-84.8000116.2V161 R381 K384V161-Y386 HydrophobicContact CG1-CD1 4.13Å; R381-Y386 PolarHBondContact NE-OH 3.35Å; R381-Y386 PolarHBondContact NH1-OH 3.23Å; R381-Y386 PolarHBondContact NH2-OH 3.17Å; K384-Y386 VanDerWaalsContact C-N 3.33Å; K384-Y386 HydrophobicContact CB-CD2 4.41Å; K384-Y386 PolarHBondContact O-N 3.24Å
387N60.5Low83.4Confident49 Ų4958.1 Ų58.126%0.26229%0.292SS..  trans-164.9133.5177.4-148.4-39.4000113.4P385 N389 I390 Y393P385-N387 PolarHBondContact O-N 2.84Å; N387-N389 PolarHBondContact OD1-N 2.87Å; N387-I390 HydrophobicContact CB-CG1 4Å; N387-I390 WeakPolarHBondContact O-CG1 3.38Å; N387-Y393 WeakPolarHBondContact ND2-CE2 3.4Å
388S58.9Low83.3Confident131 Ų13158.1 Ų58.192%0.91629%0.293SS*.SBendtrans-78.1-19.6171.953.40000113.1
389N67.9Low83.3Confident87 Ų8756.6 Ų56.647%0.46529%0.286SS..  trans-113.540.3-173.4-159.23.2000114N387 G391 F392 Y393N387-N389 PolarHBondContact OD1-N 2.87Å; N389-G391 PolarHBondContact O-N 2.94Å; N389-G391 VanDerWaalsContact O-N 3.13Å; N389-F392 PolarHBondContact O-N 3.35Å; N389-Y393 WeakPolarHBondContact O-CD2 3.36Å
390I74.8Confident83.4Confident48 Ų4856.9 Ų56.925%0.24629%0.286CS..Hα-helixtrans-55.8-31.7179.6-64.7172.4000111.8K384 N387 F392 T394K384-I390 HydrophobicContact CB-CD1 3.97Å; K384-I390 HydrophobicContact CD-CD1 4.01Å; N387-I390 HydrophobicContact CB-CG1 4Å; N387-I390 WeakPolarHBondContact O-CG1 3.38Å; I390-F392 PolarHBondContact O-N 3.32Å; I390-T394 HydrophobicContact CG2-CG2 3.67Å; I390-T394 WeakPolarHBondContact O-CB 3.36Å; I390-T394 WeakPolarHBondContact O-CG2 3.4Å; I390-T394 PolarHBondContact O-N 3.38Å; I390-T394 PolarHBondContact O-OG1 3.31Å
391G83.2Confident83.8Confident41 Ų4151.9 Ų51.942%0.42326%0.263SS..Hα-helixtrans-63.1-35.8-178.600000114.6N389 T394 K395N389-G391 PolarHBondContact O-N 2.94Å; N389-G391 VanDerWaalsContact O-N 3.13Å; G391-T394 WeakPolarHBondContact CA-OG1 3.41Å; G391-T394 PolarHBondContact O-OG1 3.03Å; G391-K395 VanDerWaalsContact O-CB 3.27Å; G391-K395 WeakPolarHBondContact O-CB 3.29Å; G391-K395 PolarHBondContact O-N 3.09Å
392F88.8Confident84.3Confident88 Ų8850.2 Ų50.239%0.38626%0.257SS..Hα-helixtrans-69.3-51.4177.6174.7-97.8000111.6N389 I390 T394 K395 R396N389-F392 PolarHBondContact O-N 3.35Å; I390-F392 PolarHBondContact O-N 3.32Å; F392-T394 PolarHBondContact O-N 3.08Å; F392-K395 PolarHBondContact O-N 3.18Å; F392-R396 WeakPolarHBondContact O-CB 3.45Å; F392-R396 PolarHBondContact O-N 3.18Å
393Y89.9Confident84.9Confident65 Ų6544.7 Ų44.726%0.25523%0.233SC..Hα-helixtrans-65.1-42.4-176.6-64.4-67.9000112.5D348 V349 N387 N389 K395 R396 N397D348-Y393 HydrophobicContact CB-CD1 3.63Å; D348-Y393 HydrophobicContact CB-CE1 3.97Å; V349-Y393 HydrophobicContact CB-CD2 4.37Å; V349-Y393 HydrophobicContact CB-CG 4.24Å; V349-Y393 HydrophobicContact CG2-CD1 4.06Å; V349-Y393 HydrophobicContact CG2-CD2 4.14Å; V349-Y393 HydrophobicContact CG2-CE1 3.97Å; V349-Y393 HydrophobicContact CG2-CE2 4.06Å; V349-Y393 HydrophobicContact CG2-CG 4.13Å; N387-Y393 WeakPolarHBondContact ND2-CE2 3.4Å; N389-Y393 WeakPolarHBondContact O-CD2 3.36Å; Y393-K395 PolarHBondContact O-N 3.19Å; Y393-R396 PolarHBondContact O-N 2.89Å; Y393-N397 WeakPolarHBondContact O-CB 3.5Å; Y393-N397 PolarHBondContact O-N 3.33Å; Y393-N397 PolarHBondContact O-ND2 3.2Å
394T91.6Very high85.7Confident5 Ų540.6 Ų40.63%0.03122%0.216CC..Hα-helixtrans-62.3-43178.449.50000111.7W300 Y350 I390 G391 F392 A398W300-T394 HydrophobicContact CH2-CG2 3.52Å; W300-T394 HydrophobicContact CZ3-CG2 3.69Å; Y350-T394 HydrophobicContact CD1-CG2 4.41Å; I390-T394 HydrophobicContact CG2-CG2 3.67Å; I390-T394 WeakPolarHBondContact O-CB 3.36Å; I390-T394 WeakPolarHBondContact O-CG2 3.4Å; I390-T394 PolarHBondContact O-N 3.38Å; I390-T394 PolarHBondContact O-OG1 3.31Å; G391-T394 WeakPolarHBondContact CA-OG1 3.41Å; G391-T394 PolarHBondContact O-OG1 3.03Å; F392-T394 PolarHBondContact O-N 3.08Å; T394-A398 VanDerWaalsContact O-CB 3.22Å; T394-A398 WeakPolarHBondContact O-CB 3.21Å; T394-A398 PolarHBondContact O-N 2.81Å
395K93.6Very high86.7Confident56 Ų5636.1 Ų36.124%0.24320%0.196CC..Hα-helixtrans-62.8-49.3174-175.3-177.2-68-170.30111.9G391 F392 Y393 N397 A398 L399 W417 L419 I426G391-K395 VanDerWaalsContact O-CB 3.27Å; G391-K395 WeakPolarHBondContact O-CB 3.29Å; G391-K395 PolarHBondContact O-N 3.09Å; F392-K395 PolarHBondContact O-N 3.18Å; Y393-K395 PolarHBondContact O-N 3.19Å; K395-N397 PolarHBondContact O-N 3.03Å; K395-A398 PolarHBondContact O-N 3.26Å; K395-L399 WeakPolarHBondContact O-CG 3.14Å; K395-L399 PolarHBondContact O-N 2.9Å; K395-W417 HydrophobicContact CB-CD2 4.2Å; K395-W417 HydrophobicContact CB-CE3 4.21Å; K395-W417 HydrophobicContact CB-CH2 4.3Å; K395-W417 HydrophobicContact CB-CZ2 4.34Å; K395-W417 HydrophobicContact CB-CZ3 4.25Å; K395-W417 HydrophobicContact CD-CE3 4.37Å; K395-W417 VanDerWaalsContact CE-CE3 3.45Å; K395-W417 HydrophobicContact CG-CB 4.43Å; K395-W417 HydrophobicContact CG-CD2 3.95Å; K395-W417 HydrophobicContact CG-CE3 4.12Å; K395-W417 HydrophobicContact CG-CG 4.11Å; K395-L419 HydrophobicContact CD-CD1 3.9Å; K395-L419 HydrophobicContact CD-CD2 4.32Å; K395-L419 HydrophobicContact CD-CG 4.48Å; K395-L419 HydrophobicContact CG-CD1 3.96Å; K395-I426 HydrophobicContact CD-CD1 3.18Å; K395-I426 HydrophobicContact CG-CD1 3.62Å
396R95.6Very high88Confident24 Ų2433.8 Ų33.89%0.09118%0.181CC..Hα-helixtrans-56.8-50.4177.7-179.6-173.9174.5-85.82.5111.6G346 D348 F392 Y393 A398 L399 R400 I426 D427 I428G346-R396 PolarHBondContact O-NH1 3.3Å; G346-R396 PolarHBondContact O-NH2 3.46Å; D348-R396 IonicContact OD2-CZ 3.51Å; D348-R396 IonicContact OD2-NE 3.7Å; D348-R396 IonicContact OD2-NH1 2.68Å; D348-R396 PolarHBondContact OD2-NH1 2.88Å; D348-R396 IonicContact OD2-NH2 3.67Å; F392-R396 WeakPolarHBondContact O-CB 3.45Å; F392-R396 PolarHBondContact O-N 3.18Å; Y393-R396 PolarHBondContact O-N 2.89Å; R396-A398 VanDerWaalsContact C-N 3.33Å; R396-A398 PolarHBondContact O-N 3.01Å; R396-L399 PolarHBondContact O-N 3.12Å; R396-R400 PolarHBondContact O-N 3.18Å; R396-R400 VanDerWaalsContact O-N 3.11Å; R396-I426 HydrophobicContact CB-CG2 3.95Å; R396-I426 HydrophobicContact CG-CG2 4.09Å; R396-D427 WeakPolarHBondContact CD-O 3.12Å; R396-D427 PolarHBondContact NE-O 2.93Å; R396-I428 HydrophobicContact CG-CG2 4.47Å; R396-I428 PolarHBondContact NH2-O 3.39Å
397N96.4Very high89.5Confident0 Ų032.5 Ų32.50%018%0.179CC..Hα-helixtrans-64.9-39.4-179.9-65.5-13.4000110.9M347 D348 G351 Y393 K395 L399 R400 V401M347-N397 WeakPolarHBondContact CA-OD1 3.37Å; M347-N397 HydrophobicContact CB-CB 4.45Å; M347-N397 HydrophobicContact CG-CB 4.07Å; M347-N397 HydrophobicContact SD-CB 4.35Å; D348-N397 PolarHBondContact N-OD1 3.47Å; D348-N397 PolarHBondContact O-ND2 2.9Å; G351-N397 WeakPolarHBondContact O-CB 3.38Å; G351-N397 PolarHBondContact O-ND2 3.47Å; Y393-N397 WeakPolarHBondContact O-CB 3.5Å; Y393-N397 PolarHBondContact O-N 3.33Å; Y393-N397 PolarHBondContact O-ND2 3.2Å; K395-N397 PolarHBondContact O-N 3.03Å; N397-L399 VanDerWaalsContact C-N 3.31Å; N397-L399 PolarHBondContact O-N 3.14Å; N397-R400 WeakPolarHBondContact O-CB 3.33Å; N397-R400 PolarHBondContact O-N 3.28Å; N397-R400 VanDerWaalsContact O-N 3.12Å; N397-V401 WeakPolarHBondContact O-CG2 3.36Å; N397-V401 PolarHBondContact O-N 2.98Å
398A97.3Very high91.2Very high1 Ų137 Ų371%0.00820%0.204CC..Hα-helixtrans-59.9-40.6176.200000112.6L299 T394 K395 R396 V401 A402 V413L299-A398 HydrophobicContact CB-CB 4.3Å; L299-A398 HydrophobicContact CD1-CB 3.83Å; L299-A398 HydrophobicContact CG-CB 4.01Å; T394-A398 VanDerWaalsContact O-CB 3.22Å; T394-A398 WeakPolarHBondContact O-CB 3.21Å; T394-A398 PolarHBondContact O-N 2.81Å; K395-A398 PolarHBondContact O-N 3.26Å; R396-A398 VanDerWaalsContact C-N 3.33Å; R396-A398 PolarHBondContact O-N 3.01Å; A398-V401 PolarHBondContact O-N 3.28Å; A398-A402 WeakPolarHBondContact O-CB 3.39Å; A398-A402 PolarHBondContact O-N 3.09Å; A398-V413 HydrophobicContact CB-CG1 4.18Å
399L97.7Very high93Very high0 Ų031.4 Ų31.40%016%0.162CC..Hα-helixtrans-65.1-38.9173.9-65.3-177.9000112.5K395 R396 N397 V401 A402 E403 V413 Y414 L419 P424 I426 I428K395-L399 WeakPolarHBondContact O-CG 3.14Å; K395-L399 PolarHBondContact O-N 2.9Å; R396-L399 PolarHBondContact O-N 3.12Å; N397-L399 VanDerWaalsContact C-N 3.31Å; N397-L399 PolarHBondContact O-N 3.14Å; L399-V401 VanDerWaalsContact C-N 3.33Å; L399-V401 PolarHBondContact O-N 3.02Å; L399-A402 PolarHBondContact O-N 3.18Å; L399-E403 WeakPolarHBondContact O-CB 3.46Å; L399-E403 WeakPolarHBondContact O-CG 3.32Å; L399-E403 PolarHBondContact O-N 3.11Å; L399-V413 HydrophobicContact CD2-CG1 4.34Å; L399-Y414 HydrophobicContact CD2-CD1 3.96Å; L399-Y414 HydrophobicContact CD2-CD2 4.21Å; L399-Y414 HydrophobicContact CD2-CE1 3.7Å; L399-Y414 HydrophobicContact CD2-CE2 3.98Å; L399-Y414 HydrophobicContact CD2-CG 4.2Å; L399-L419 HydrophobicContact CD1-CD1 3.81Å; L399-L419 HydrophobicContact CD2-CD1 4.13Å; L399-L419 HydrophobicContact CG-CD1 4.33Å; L399-P424 HydrophobicContact CD1-CB 4.37Å; L399-P424 HydrophobicContact CD1-CG 4.41Å; L399-I426 HydrophobicContact CD1-CB 4.15Å; L399-I426 HydrophobicContact CD1-CD1 4.18Å; L399-I426 HydrophobicContact CD1-CG2 4.31Å; L399-I428 HydrophobicContact CB-CG2 3.6Å; L399-I428 HydrophobicContact CD1-CG2 4.1Å
400R97.6Very high94.4Very high8 Ų830.4 Ų30.43%0.0315%0.154CC..Hα-helixtrans-57.6-46.6172.1-72.2-175.363.984.7-3.6111.5D344 R396 N397 A402 E403 V404 I428 D430 V431D344-R400 VanDerWaalsContact CG-NH2 3.33Å; D344-R400 IonicContact OD1-CZ 2.66Å; D344-R400 IonicContact OD1-NE 3.92Å; D344-R400 IonicContact OD1-NH2 2.79Å; D344-R400 PolarHBondContact OD1-NH2 2.76Å; D344-R400 IonicContact OD2-CZ 3.31Å; D344-R400 VanDerWaalsContact OD2-CZ 3.31Å; D344-R400 IonicContact OD2-NE 3.82Å; D344-R400 PolarHBondContact OD2-NE 3.38Å; D344-R400 IonicContact OD2-NH2 3.71Å; D344-R400 PolarHBondContact OD2-NH2 2.92Å; R396-R400 PolarHBondContact O-N 3.18Å; R396-R400 VanDerWaalsContact O-N 3.11Å; N397-R400 WeakPolarHBondContact O-CB 3.33Å; N397-R400 PolarHBondContact O-N 3.28Å; N397-R400 VanDerWaalsContact O-N 3.12Å; R400-A402 VanDerWaalsContact C-N 3.34Å; R400-A402 PolarHBondContact O-N 3.03Å; R400-E403 PolarHBondContact O-N 2.9Å; R400-V404 WeakPolarHBondContact O-CG2 3.27Å; R400-V404 PolarHBondContact O-N 2.89Å; R400-V404 VanDerWaalsContact O-N 3.15Å; R400-I428 VanDerWaalsContact CD-O 3.29Å; R400-I428 WeakPolarHBondContact CD-O 3.45Å; R400-I428 HydrophobicContact CG-CB 3.75Å; R400-I428 HydrophobicContact CG-CG2 4.47Å; R400-I428 WeakPolarHBondContact CG-O 3.32Å; R400-I428 PolarHBondContact NH1-O 3.35Å; R400-D430 PolarHBondContact NH1-O 2.99Å; R400-D430 PolarHBondContact NH2-O 2.63Å; R400-V431 HydrophobicContact CG-CG1 4.37Å
401V98.4Very high95.4Very high1 Ų129.2 Ų29.21%0.00615%0.15CC..Hα-helixtrans-60.2-47.5177-1770000110.7L299 M347 E356 I359 N397 A398 L399 E403 V404 W405 M406L299-V401 HydrophobicContact CD1-CB 3.67Å; L299-V401 HydrophobicContact CD1-CG1 3.87Å; L299-V401 HydrophobicContact CD1-CG2 4.11Å; M347-V401 HydrophobicContact CE-CG2 3.33Å; E356-V401 HydrophobicContact CB-CG1 4.22Å; E356-V401 HydrophobicContact CB-CG2 3.69Å; E356-V401 HydrophobicContact CG-CG1 4.45Å; E356-V401 HydrophobicContact CG-CG2 4.08Å; I359-V401 HydrophobicContact CD1-CG1 4.2Å; N397-V401 WeakPolarHBondContact O-CG2 3.36Å; N397-V401 PolarHBondContact O-N 2.98Å; A398-V401 PolarHBondContact O-N 3.28Å; L399-V401 VanDerWaalsContact C-N 3.33Å; L399-V401 PolarHBondContact O-N 3.02Å; V401-E403 PolarHBondContact O-N 3.4Å; V401-V404 PolarHBondContact O-N 3.48Å; V401-W405 WeakPolarHBondContact O-CB 3.37Å; V401-W405 PolarHBondContact O-N 2.99Å; V401-M406 HydrophobicContact CG1-CE 3.78Å
402A98.1Very high96Very high0 Ų027.3 Ų27.30%013%0.13CC..Hα-helixtrans-58-48.1-179.200000111.5A398 L399 R400 V404 M406 K410 V413A398-A402 WeakPolarHBondContact O-CB 3.39Å; A398-A402 PolarHBondContact O-N 3.09Å; L399-A402 PolarHBondContact O-N 3.18Å; R400-A402 VanDerWaalsContact C-N 3.34Å; R400-A402 PolarHBondContact O-N 3.03Å; A402-V404 VanDerWaalsContact C-N 3.35Å; A402-V404 PolarHBondContact O-N 3.46Å; A402-M406 HydrophobicContact CB-SD 4.18Å; A402-M406 WeakPolarHBondContact O-CB 3.49Å; A402-M406 PolarHBondContact O-N 3.29Å; A402-K410 HydrophobicContact CB-CB 3.88Å; A402-K410 WeakPolarHBondContact O-CB 3.35Å; A402-V413 HydrophobicContact CB-CB 3.9Å; A402-V413 HydrophobicContact CB-CG1 4.11Å; A402-V413 HydrophobicContact CB-CG2 3.82Å
403E97.4Very high96.4Very high24 Ų2423.1 Ų23.111%0.11211%0.111CC..Hα-helixtrans-66.8-31.6-178.4-75.1-57.4148.400113.9L399 R400 V401 K410 Y414 I428 R435L399-E403 WeakPolarHBondContact O-CB 3.46Å; L399-E403 WeakPolarHBondContact O-CG 3.32Å; L399-E403 PolarHBondContact O-N 3.11Å; R400-E403 PolarHBondContact O-N 2.9Å; V401-E403 PolarHBondContact O-N 3.4Å; E403-K410 WeakPolarHBondContact OE1-CD 3.45Å; E403-K410 IonicContact OE1-NZ 2.75Å; E403-K410 PolarHBondContact OE1-NZ 3.28Å; E403-K410 IonicContact OE2-NZ 3.8Å; E403-K410 PolarHBondContact OE2-NZ 3.37Å; E403-Y414 PolarHBondContact OE1-OH 3.23Å; E403-I428 HydrophobicContact CB-CD1 4.11Å; E403-I428 HydrophobicContact CG-CD1 3.71Å; E403-R435 PolarHBondContact O-NH1 3.05Å; E403-R435 PolarHBondContact O-NH2 3.06Å; E403-R435 IonicContact OE2-NH2 3.48Å; E403-R435 PolarHBondContact OE2-NH2 2.95Å
404V98.2Very high96.7Very high2 Ų220.5 Ų20.51%0.01210%0.101CC..Hα-helixtrans-88.5-41.6-178.4179.20000112.1R400 V401 A402 V431 R434 R438R400-V404 WeakPolarHBondContact O-CG2 3.27Å; R400-V404 PolarHBondContact O-N 2.89Å; R400-V404 VanDerWaalsContact O-N 3.15Å; V401-V404 PolarHBondContact O-N 3.48Å; A402-V404 VanDerWaalsContact C-N 3.35Å; A402-V404 PolarHBondContact O-N 3.46Å; V404-V431 HydrophobicContact CG2-CB 3.69Å; V404-V431 HydrophobicContact CG2-CG1 3.96Å; V404-V431 HydrophobicContact CG2-CG2 4.32Å; V404-R434 HydrophobicContact CB-CB 4.46Å; V404-R434 HydrophobicContact CG1-CB 3.76Å; V404-R434 HydrophobicContact CG2-CB 3.8Å; V404-R438 VanDerWaalsContact O-CD 3.24Å; V404-R438 WeakPolarHBondContact O-CD 3.01Å; V404-R438 PolarHBondContact O-NH1 3.28Å
405W98.4Very high97Very high1 Ų120.3 Ų20.30%0.00410%0.1CC..Hα-helixtrans-117.3-17.6-160.5-60.9106.1000115.1E356 I359 K360 L363 V401 R438 F446E356-W405 PolarHBondContact OE1-NE1 2.84Å; I359-W405 HydrophobicContact CG2-CB 3.93Å; K360-W405 HydrophobicContact CB-CE3 4.45Å; K360-W405 HydrophobicContact CB-CH2 4.09Å; K360-W405 HydrophobicContact CB-CZ2 4.17Å; K360-W405 HydrophobicContact CB-CZ3 4.22Å; K360-W405 HydrophobicContact CD-CH2 3.5Å; K360-W405 VanDerWaalsContact CD-CH2 3.5Å; K360-W405 HydrophobicContact CD-CZ2 3.38Å; K360-W405 HydrophobicContact CD-CZ3 4.4Å; K360-W405 HydrophobicContact CG-CH2 3.51Å; K360-W405 HydrophobicContact CG-CZ2 3.83Å; K360-W405 HydrophobicContact CG-CZ3 3.95Å; L363-W405 HydrophobicContact CD1-CE3 4.11Å; V401-W405 WeakPolarHBondContact O-CB 3.37Å; V401-W405 PolarHBondContact O-N 2.99Å; W405-R438 HydrophobicContact CE3-CG 4.1Å; W405-R438 HydrophobicContact CH2-CB 3.97Å; W405-R438 HydrophobicContact CH2-CG 4.26Å; W405-R438 HydrophobicContact CZ3-CB 3.88Å; W405-R438 HydrophobicContact CZ3-CG 3.65Å; W405-F446 WeakPolarHBondContact O-CB 3.35Å; W405-F446 WeakPolarHBondContact O-CD2 3.19Å
406M98.1Very high97Very high0 Ų018.3 Ų18.30%09%0.094CC..  trans-101.71.7-168.2-62.2-172.8176.400115.4Y295 W297 L299 I359 V401 A402 D408 Y409 K410 V413 F446Y295-M406 HydrophobicContact CE2-CE 4.4Å; W297-M406 HydrophobicContact CZ3-SD 4.35Å; L299-M406 HydrophobicContact CD1-CE 3.77Å; L299-M406 HydrophobicContact CD2-CE 3.34Å; L299-M406 HydrophobicContact CD2-SD 4.33Å; L299-M406 HydrophobicContact CG-CE 4.22Å; I359-M406 HydrophobicContact CD1-CE 3.43Å; I359-M406 VanDerWaalsContact CD1-CE 3.43Å; V401-M406 HydrophobicContact CG1-CE 3.78Å; A402-M406 HydrophobicContact CB-SD 4.18Å; A402-M406 WeakPolarHBondContact O-CB 3.49Å; A402-M406 PolarHBondContact O-N 3.29Å; M406-D408 PolarHBondContact O-N 3.42Å; M406-Y409 WeakPolarHBondContact O-CA 3.49Å; M406-Y409 VanDerWaalsContact O-CB 3.26Å; M406-Y409 WeakPolarHBondContact O-CB 3.48Å; M406-Y409 PolarHBondContact O-N 2.82Å; M406-K410 HydrophobicContact CB-CB 4.28Å; M406-K410 PolarHBondContact O-N 3.19Å; M406-V413 HydrophobicContact CE-CG2 4.33Å; M406-V413 HydrophobicContact SD-CG2 3.39Å; M406-V413 WeakPolarHBondContact SD-CG2 3.3Å; M406-F446 HydrophobicContact CB-CD1 4.12Å; M406-F446 HydrophobicContact CB-CE1 4.19Å; M406-F446 HydrophobicContact CB-CG 4.31Å; M406-F446 HydrophobicContact CB-CZ 4.48Å; M406-F446 HydrophobicContact CE-CZ 4.36Å; M406-F446 HydrophobicContact CG-CD1 4.4Å; M406-F446 HydrophobicContact CG-CD2 4.29Å; M406-F446 HydrophobicContact CG-CE1 4.11Å; M406-F446 HydrophobicContact CG-CE2 4.03Å; M406-F446 HydrophobicContact CG-CG 4.47Å; M406-F446 HydrophobicContact CG-CZ 3.92Å; M406-F446 HydrophobicContact SD-CZ 4.34Å
407D97.3Very high97Very high52 Ų5219.1 Ų19.128%0.27810%0.097SC..G310 helixtrans49.8-131.8178.1-56.8-35.6000111.1Y409 K410 R438 N445 F446D407-Y409 PolarHBondContact O-N 2.7Å; D407-K410 WeakPolarHBondContact O-CB 3.49Å; D407-K410 WeakPolarHBondContact O-CD 3.45Å; D407-K410 WeakPolarHBondContact O-CG 3.47Å; D407-K410 PolarHBondContact O-N 2.92Å; D407-R438 IonicContact OD1-CZ 3.73Å; D407-R438 IonicContact OD1-NH1 3.91Å; D407-R438 PolarHBondContact OD1-NH1 2.91Å; D407-R438 IonicContact OD1-NH2 2.84Å; D407-R438 PolarHBondContact OD1-NH2 2.05Å; D407-R438 IonicContact OD2-CZ 3.93Å; D407-R438 IonicContact OD2-NH2 3.91Å; D407-R438 PolarHBondContact OD2-NH2 3.26Å; D407-N445 WeakPolarHBondContact OD2-CA 3.26Å; D407-N445 WeakPolarHBondContact OD2-CB 3.14Å; D407-F446 HydrophobicContact CB-CB 4.34Å; D407-F446 WeakPolarHBondContact OD2-CB 3.4Å; D407-F446 PolarHBondContact OD2-N 2.9Å
408D95.2Very high96.9Very high144 Ų14419.8 Ų19.877%0.7710%0.101SC*.G310 helixtrans-68.9-20179.2-59.4-31.4000113.4M406 K410 S411M406-D408 PolarHBondContact O-N 3.42Å; D408-K410 PolarHBondContact O-N 3.34Å; D408-S411 PolarHBondContact O-OG 3.39Å
409Y97.2Very high96.8Very high13 Ų1320.5 Ų20.55%0.05110%0.104CC..G310 helixtrans-76.4-5.4176.6-65.7-88.5000113.2W297 M406 D407 S411 H412 F446 Q447 L450 R459 N461W297-Y409 HydrophobicContact CH2-CD1 4.08Å; W297-Y409 HydrophobicContact CH2-CG 4.46Å; M406-Y409 WeakPolarHBondContact O-CA 3.49Å; M406-Y409 VanDerWaalsContact O-CB 3.26Å; M406-Y409 WeakPolarHBondContact O-CB 3.48Å; M406-Y409 PolarHBondContact O-N 2.82Å; D407-Y409 PolarHBondContact O-N 2.7Å; Y409-S411 PolarHBondContact O-N 3.37Å; Y409-S411 VanDerWaalsContact O-N 3.12Å; Y409-H412 AromaticContact CD1-CE1 3.51Å; Y409-H412 AromaticContact CD1-NE2 3.57Å; Y409-H412 AromaticContact CE1-NE2 3.99Å; Y409-H412 WeakPolarHBondContact O-CB 3.39Å; Y409-H412 PolarHBondContact O-N 2.99Å; Y409-H412 PolarHBondContact O-ND1 2.76Å; Y409-F446 AromaticContact CD2-CD1 3.78Å; Y409-F446 HydrophobicContact CD2-CD1 3.78Å; Y409-F446 AromaticContact CG-CD1 3.82Å; Y409-F446 HydrophobicContact CG-CD1 3.82Å; Y409-F446 HydrophobicContact CG-CE1 4.15Å; Y409-Q447 HydrophobicContact CE2-CB 4.31Å; Y409-Q447 VanDerWaalsContact CZ-OE1 3.27Å; Y409-Q447 PolarHBondContact OH-OE1 3.44Å; Y409-L450 HydrophobicContact CD1-CD1 3.59Å; Y409-L450 HydrophobicContact CD2-CD1 4.06Å; Y409-L450 HydrophobicContact CE1-CD1 3.55Å; Y409-L450 HydrophobicContact CE2-CD1 4.01Å; Y409-L450 HydrophobicContact CG-CD1 3.85Å; Y409-R459 HydrophobicContact CE1-CB 4.5Å; Y409-R459 HydrophobicContact CE1-CG 4.26Å; Y409-N461 VanDerWaalsContact CE1-OD1 3.23Å; Y409-N461 WeakPolarHBondContact CE1-OD1 3.25Å; Y409-N461 PolarHBondContact OH-ND2 3.06Å
410K96.8Very high96.6Very high66 Ų6622.5 Ų22.529%0.28712%0.117SC..Hα-helixtrans-52.6-34.3170.373.1-175.7-171.2148.70111.1A402 E403 M406 D407 D408 H412 V413 Y414A402-K410 HydrophobicContact CB-CB 3.88Å; A402-K410 WeakPolarHBondContact O-CB 3.35Å; E403-K410 WeakPolarHBondContact OE1-CD 3.45Å; E403-K410 IonicContact OE1-NZ 2.75Å; E403-K410 PolarHBondContact OE1-NZ 3.28Å; E403-K410 IonicContact OE2-NZ 3.8Å; E403-K410 PolarHBondContact OE2-NZ 3.37Å; M406-K410 HydrophobicContact CB-CB 4.28Å; M406-K410 PolarHBondContact O-N 3.19Å; D407-K410 WeakPolarHBondContact O-CB 3.49Å; D407-K410 WeakPolarHBondContact O-CD 3.45Å; D407-K410 WeakPolarHBondContact O-CG 3.47Å; D407-K410 PolarHBondContact O-N 2.92Å; D408-K410 PolarHBondContact O-N 3.34Å; K410-H412 PolarHBondContact O-N 3.45Å; K410-H412 VanDerWaalsContact O-N 3.15Å; K410-V413 WeakPolarHBondContact O-CB 3.25Å; K410-V413 PolarHBondContact O-N 2.92Å; K410-Y414 HydrophobicContact CG-CE2 4.43Å; K410-Y414 VanDerWaalsContact O-CD2 3.28Å; K410-Y414 WeakPolarHBondContact O-CD2 3.31Å; K410-Y414 PolarHBondContact O-N 2.79Å
411S96.1Very high96.4Very high22 Ų2224.5 Ų24.515%0.15413%0.128CC..Hα-helixtrans-54.6-33.4178.358.90000113.6D408 Y409 V413 Y414 I415D408-S411 PolarHBondContact O-OG 3.39Å; Y409-S411 PolarHBondContact O-N 3.37Å; Y409-S411 VanDerWaalsContact O-N 3.12Å; S411-V413 VanDerWaalsContact C-N 3.3Å; S411-V413 PolarHBondContact O-N 3.17Å; S411-Y414 PolarHBondContact O-N 3.2Å; S411-I415 VanDerWaalsContact O-CG1 3.22Å; S411-I415 WeakPolarHBondContact O-CG1 3.27Å; S411-I415 PolarHBondContact O-N 3.44Å
412H97Very high96Very high2 Ų230.2 Ų30.21%0.00916%0.155CC..Hα-helixtrans-65.1-34.5177.6-58.445.8000112W297 Y409 K410 I415 A416 Y460 N461W297-H412 HydrophobicContact CB-CB 4.47Å; W297-H412 HydrophobicContact CD2-CB 3.35Å; W297-H412 AromaticContact CE2-CD2 3.61Å; W297-H412 HydrophobicContact CE3-CB 3.37Å; W297-H412 HydrophobicContact CG-CB 3.88Å; W297-H412 HydrophobicContact CH2-CB 4.07Å; W297-H412 AromaticContact CH2-CD2 3.92Å; W297-H412 HydrophobicContact CZ2-CB 4.09Å; W297-H412 AromaticContact CZ2-CD2 3.46Å; W297-H412 VanDerWaalsContact CZ2-CD2 3.46Å; W297-H412 WeakPolarHBondContact CZ2-CD2 3.32Å; W297-H412 AromaticContact CZ2-CG 3.99Å; W297-H412 HydrophobicContact CZ3-CB 3.73Å; Y409-H412 AromaticContact CD1-CE1 3.51Å; Y409-H412 AromaticContact CD1-NE2 3.57Å; Y409-H412 AromaticContact CE1-NE2 3.99Å; Y409-H412 WeakPolarHBondContact O-CB 3.39Å; Y409-H412 PolarHBondContact O-N 2.99Å; Y409-H412 PolarHBondContact O-ND1 2.76Å; K410-H412 PolarHBondContact O-N 3.45Å; K410-H412 VanDerWaalsContact O-N 3.15Å; H412-I415 PolarHBondContact O-N 3.41Å; H412-A416 VanDerWaalsContact O-CB 3.31Å; H412-A416 WeakPolarHBondContact O-CB 3.42Å; H412-A416 PolarHBondContact O-N 2.81Å; H412-Y460 AromaticContact CD2-CD2 3.83Å; H412-Y460 PolarHBondContact CD2-N 2.65Å; H412-Y460 VanDerWaalsContact CD2-N 3.34Å; H412-Y460 PolarHBondContact NE2-N 3.11Å; H412-N461 PolarHBondContact CE1-OD1 3.21Å; H412-N461 PolarHBondContact NE2-OD1 2.86Å
413V97.1Very high95.7Very high0 Ų037.4 Ų37.40%019%0.193CC..Hα-helixtrans-67.3-43.4173.7-177.40000110.8W297 L299 A398 L399 A402 M406 K410 S411 I415 A416 W417W297-V413 HydrophobicContact CE3-CG2 4.23Å; W297-V413 WeakPolarHBondContact O-CA 3.21Å; W297-V413 WeakPolarHBondContact O-CG2 3.44Å; L299-V413 HydrophobicContact CD2-CG2 4.17Å; A398-V413 HydrophobicContact CB-CG1 4.18Å; L399-V413 HydrophobicContact CD2-CG1 4.34Å; A402-V413 HydrophobicContact CB-CB 3.9Å; A402-V413 HydrophobicContact CB-CG1 4.11Å; A402-V413 HydrophobicContact CB-CG2 3.82Å; M406-V413 HydrophobicContact CE-CG2 4.33Å; M406-V413 HydrophobicContact SD-CG2 3.39Å; M406-V413 WeakPolarHBondContact SD-CG2 3.3Å; K410-V413 WeakPolarHBondContact O-CB 3.25Å; K410-V413 PolarHBondContact O-N 2.92Å; S411-V413 VanDerWaalsContact C-N 3.3Å; S411-V413 PolarHBondContact O-N 3.17Å; V413-I415 PolarHBondContact O-N 2.84Å; V413-A416 PolarHBondContact O-N 3.13Å; V413-W417 VanDerWaalsContact O-CD1 3.26Å; V413-W417 PolarHBondContact O-N 3.32Å
414Y96.5Very high95.4Very high9 Ų937.6 Ų37.64%0.03520%0.197CC..Hα-helixtrans-63.5-40.7176-74.7-94.7000112.1L399 E403 K410 S411 N418 L419 P420 L421 P424L399-Y414 HydrophobicContact CD2-CD1 3.96Å; L399-Y414 HydrophobicContact CD2-CD2 4.21Å; L399-Y414 HydrophobicContact CD2-CE1 3.7Å; L399-Y414 HydrophobicContact CD2-CE2 3.98Å; L399-Y414 HydrophobicContact CD2-CG 4.2Å; E403-Y414 PolarHBondContact OE1-OH 3.23Å; K410-Y414 HydrophobicContact CG-CE2 4.43Å; K410-Y414 VanDerWaalsContact O-CD2 3.28Å; K410-Y414 WeakPolarHBondContact O-CD2 3.31Å; K410-Y414 PolarHBondContact O-N 2.79Å; S411-Y414 PolarHBondContact O-N 3.2Å; Y414-N418 PolarHBondContact O-N 2.72Å; Y414-L419 HydrophobicContact CD1-CB 4.07Å; Y414-L419 PolarHBondContact O-N 3.29Å; Y414-P420 VanDerWaalsContact CD1-O 3.32Å; Y414-P420 WeakPolarHBondContact CD1-O 3.14Å; Y414-L421 HydrophobicContact CD1-CD2 4.32Å; Y414-L421 HydrophobicContact CD2-CD2 3.7Å; Y414-L421 HydrophobicContact CE2-CD2 4.33Å; Y414-L421 HydrophobicContact CG-CD2 3.71Å; Y414-P424 HydrophobicContact CD1-CB 4.5Å; Y414-P424 HydrophobicContact CE1-CB 4.01Å; Y414-P424 HydrophobicContact CE1-CG 4.04Å
415I96Very high95.2Very high1 Ų141.3 Ų41.31%0.00524%0.235CC..Hα-helixtrans-61.1-49.5173.9-62.9161.9000110.3S411 H412 V413 W417 N418 T463 Y466 L501 L515 I597S411-I415 VanDerWaalsContact O-CG1 3.22Å; S411-I415 WeakPolarHBondContact O-CG1 3.27Å; S411-I415 PolarHBondContact O-N 3.44Å; H412-I415 PolarHBondContact O-N 3.41Å; V413-I415 PolarHBondContact O-N 2.84Å; I415-W417 VanDerWaalsContact C-N 3.3Å; I415-W417 PolarHBondContact O-N 3.01Å; I415-N418 PolarHBondContact O-N 3.04Å; I415-T463 HydrophobicContact CD1-CG2 3.95Å; I415-Y466 HydrophobicContact CB-CD2 4.11Å; I415-Y466 HydrophobicContact CB-CE2 4.3Å; I415-Y466 HydrophobicContact CB-CG 4.34Å; I415-Y466 HydrophobicContact CG1-CD1 3.76Å; I415-Y466 HydrophobicContact CG1-CD2 3.93Å; I415-Y466 HydrophobicContact CG1-CE1 3.85Å; I415-Y466 HydrophobicContact CG1-CE2 4.01Å; I415-Y466 HydrophobicContact CG1-CG 3.79Å; I415-Y466 HydrophobicContact CG2-CD2 4.1Å; I415-Y466 HydrophobicContact CG2-CG 4.14Å; I415-L501 HydrophobicContact CG2-CD1 4.47Å; I415-L501 HydrophobicContact CG2-CD2 4.43Å; I415-L501 WeakPolarHBondContact O-CD1 3.41Å; I415-L501 WeakPolarHBondContact O-CD2 3.47Å; I415-L515 HydrophobicContact CB-CD1 4.3Å; I415-L515 HydrophobicContact CG2-CD1 3.91Å; I415-L515 HydrophobicContact CG2-CD2 4.08Å; I415-L515 HydrophobicContact CG2-CG 4.38Å; I415-I597 HydrophobicContact CD1-CD1 3.93Å; I415-I597 HydrophobicContact CG1-CD1 4.36Å
416A95.2Very high94.9Very high14 Ų1442.6 Ų42.612%0.11624%0.242CC..Hα-helixtrans-58.4-41.7-177.900000112.3W297 E298 H412 V413 N418 L515W297-A416 HydrophobicContact CB-CB 3.75Å; E298-A416 HydrophobicContact CG-CB 3.79Å; H412-A416 VanDerWaalsContact O-CB 3.31Å; H412-A416 WeakPolarHBondContact O-CB 3.42Å; H412-A416 PolarHBondContact O-N 2.81Å; V413-A416 PolarHBondContact O-N 3.13Å; A416-N418 VanDerWaalsContact C-N 3.31Å; A416-N418 PolarHBondContact O-N 3.43Å; A416-L515 HydrophobicContact CB-CD1 3.86Å
417W94.1Very high94.8Very high42 Ų4248.7 Ų48.716%0.15927%0.274CS..THydrogen-bonded Turntrans-83.70.4176.7-72.5110.2000114.8E298 W300 K395 V413 I415 L419E298-W417 HydrophobicContact CB-CZ2 3.94Å; E298-W417 WeakPolarHBondContact O-CZ2 3.34Å; E298-W417 PolarHBondContact O-NE1 3.13Å; W300-W417 HydrophobicContact CH2-CH2 4.46Å; W300-W417 AromaticContact CZ2-CH2 3.63Å; W300-W417 HydrophobicContact CZ2-CH2 3.63Å; W300-W417 HydrophobicContact CZ2-CZ2 4.18Å; K395-W417 HydrophobicContact CB-CD2 4.2Å; K395-W417 HydrophobicContact CB-CE3 4.21Å; K395-W417 HydrophobicContact CB-CH2 4.3Å; K395-W417 HydrophobicContact CB-CZ2 4.34Å; K395-W417 HydrophobicContact CB-CZ3 4.25Å; K395-W417 HydrophobicContact CD-CE3 4.37Å; K395-W417 VanDerWaalsContact CE-CE3 3.45Å; K395-W417 HydrophobicContact CG-CB 4.43Å; K395-W417 HydrophobicContact CG-CD2 3.95Å; K395-W417 HydrophobicContact CG-CE3 4.12Å; K395-W417 HydrophobicContact CG-CG 4.11Å; V413-W417 VanDerWaalsContact O-CD1 3.26Å; V413-W417 PolarHBondContact O-N 3.32Å; I415-W417 VanDerWaalsContact C-N 3.3Å; I415-W417 PolarHBondContact O-N 3.01Å; W417-L419 VanDerWaalsContact C-N 3.34Å; W417-L419 HydrophobicContact CB-CD1 3.89Å; W417-L419 HydrophobicContact CB-CG 3.93Å; W417-L419 PolarHBondContact O-N 3.37Å
418N94.8Very high94.7Very high14 Ų1447.5 Ų47.58%0.07527%0.268CS..THydrogen-bonded Turntrans53.146.6-176-17320.8000113.1Y414 I415 A416 G467 G496 L501Y414-N418 PolarHBondContact O-N 2.72Å; I415-N418 PolarHBondContact O-N 3.04Å; A416-N418 VanDerWaalsContact C-N 3.31Å; A416-N418 PolarHBondContact O-N 3.43Å; N418-G467 WeakPolarHBondContact OD1-CA 3.49Å; N418-G496 PolarHBondContact ND2-O 3.4Å; N418-L501 HydrophobicContact CB-CD1 4.22Å
419L94.8Very high94.7Very high16 Ų1642 Ų428%0.08425%0.246CC..  trans-113.1144.9-179.9-63.3175.5000110.9K395 L399 Y414 W417 P424 I426 Y466K395-L419 HydrophobicContact CD-CD1 3.9Å; K395-L419 HydrophobicContact CD-CD2 4.32Å; K395-L419 HydrophobicContact CD-CG 4.48Å; K395-L419 HydrophobicContact CG-CD1 3.96Å; L399-L419 HydrophobicContact CD1-CD1 3.81Å; L399-L419 HydrophobicContact CD2-CD1 4.13Å; L399-L419 HydrophobicContact CG-CD1 4.33Å; Y414-L419 HydrophobicContact CD1-CB 4.07Å; Y414-L419 PolarHBondContact O-N 3.29Å; W417-L419 VanDerWaalsContact C-N 3.34Å; W417-L419 HydrophobicContact CB-CD1 3.89Å; W417-L419 HydrophobicContact CB-CG 3.93Å; W417-L419 PolarHBondContact O-N 3.37Å; L419-P424 HydrophobicContact CB-CB 4.28Å; L419-P424 HydrophobicContact CD1-CB 4.37Å; L419-I426 HydrophobicContact CD1-CD1 3.91Å; L419-I426 HydrophobicContact CD2-CD1 4.3Å; L419-Y466 WeakPolarHBondContact O-CE2 3.47Å; L419-Y466 PolarHBondContact O-OH 3.06Å
420P94.8Very high94.7Very high41 Ų4147 Ų4727%0.26627%0.273SS..  trans-67.3147.7171.829.6-33.3000111.1Y414Y414-P420 VanDerWaalsContact CD1-O 3.32Å; Y414-P420 WeakPolarHBondContact CD1-O 3.14Å
421L92.8Very high94.7Very high51 Ų5144.5 Ų44.527%0.26726%0.263SS..SBendtrans-67.9-38176.5-73.1169.6000112.4Y414 I597Y414-L421 HydrophobicContact CD1-CD2 4.32Å; Y414-L421 HydrophobicContact CD2-CD2 3.7Å; Y414-L421 HydrophobicContact CE2-CD2 4.33Å; Y414-L421 HydrophobicContact CG-CD2 3.71Å; L421-I597 HydrophobicContact CD1-CB 4.39Å; L421-I597 HydrophobicContact CD1-CG1 3.99Å; L421-I597 HydrophobicContact CD1-CG2 4.12Å
422E91Very high94.9Very high121 Ų12146.7 Ų46.757%0.56528%0.278SS*.SBendtrans-96.5125.1175.4-66.3174.1-170.600108K598E422-K598 VanDerWaalsContact CD-NZ 3.34Å; E422-K598 IonicContact OE1-NZ 2.76Å; E422-K598 PolarHBondContact OE1-NZ 2.87Å; E422-K598 IonicContact OE2-NZ 3.09Å; E422-K598 PolarHBondContact OE2-NZ 2.65Å; E422-K598 VanDerWaalsContact OE2-NZ 3.09Å
423N90.4Very high94.9Very high150 Ų15054.2 Ų54.280%0.80231%0.314SS*.  trans55.363.3177.7-54.4-44.9000114.4G425N423-G425 PolarHBondContact O-N 3.35Å
424P92.6Very high94.9Very high29 Ų2955.3 Ų55.319%0.18832%0.318CS..  trans-63-5.1179.927.7-37.2000115.2L399 Y414 L419 I426L399-P424 HydrophobicContact CD1-CB 4.37Å; L399-P424 HydrophobicContact CD1-CG 4.41Å; Y414-P424 HydrophobicContact CD1-CB 4.5Å; Y414-P424 HydrophobicContact CE1-CB 4.01Å; Y414-P424 HydrophobicContact CE1-CG 4.04Å; L419-P424 HydrophobicContact CB-CB 4.28Å; L419-P424 HydrophobicContact CD1-CB 4.37Å; P424-I426 PolarHBondContact O-N 2.73Å
425G92.4Very high95Very high80 Ų8060.3 Ų60.383%0.82534%0.337SS*.SBendtrans72.513.5-176.700000113.9N423N423-G425 PolarHBondContact O-N 3.35Å
426I93.5Very high95.1Very high28 Ų2863 Ų6314%0.14436%0.359CS..  trans-125.2118.6-179.4-59.7175.1000108.1K395 R396 L399 L419 P424 I428K395-I426 HydrophobicContact CD-CD1 3.18Å; K395-I426 HydrophobicContact CG-CD1 3.62Å; R396-I426 HydrophobicContact CB-CG2 3.95Å; R396-I426 HydrophobicContact CG-CG2 4.09Å; L399-I426 HydrophobicContact CD1-CB 4.15Å; L399-I426 HydrophobicContact CD1-CD1 4.18Å; L399-I426 HydrophobicContact CD1-CG2 4.31Å; L419-I426 HydrophobicContact CD1-CD1 3.91Å; L419-I426 HydrophobicContact CD2-CD1 4.3Å; P424-I426 PolarHBondContact O-N 2.73Å; I426-I428 HydrophobicContact CG2-CG2 4.41Å; I426-I428 PolarHBondContact O-N 3.38Å
427D95Very high95.2Very high127 Ų12764 Ų6468%0.67936%0.362SS*.  trans-77.2113.9172-17915.5000110.1R396 G429R396-D427 WeakPolarHBondContact CD-O 3.12Å; R396-D427 PolarHBondContact NE-O 2.93Å; D427-G429 WeakPolarHBondContact OD1-CA 3.48Å; D427-G429 PolarHBondContact OD1-N 2.8Å
428I95.5Very high95.4Very high27 Ų2763.9 Ų63.914%0.13836%0.362CS..  trans-91-4178.266165.4000112.4R396 L399 R400 E403 I426 V431R396-I428 HydrophobicContact CG-CG2 4.47Å; R396-I428 PolarHBondContact NH2-O 3.39Å; L399-I428 HydrophobicContact CB-CG2 3.6Å; L399-I428 HydrophobicContact CD1-CG2 4.1Å; R400-I428 VanDerWaalsContact CD-O 3.29Å; R400-I428 WeakPolarHBondContact CD-O 3.45Å; R400-I428 HydrophobicContact CG-CB 3.75Å; R400-I428 HydrophobicContact CG-CG2 4.47Å; R400-I428 WeakPolarHBondContact CG-O 3.32Å; R400-I428 PolarHBondContact NH1-O 3.35Å; E403-I428 HydrophobicContact CB-CD1 4.11Å; E403-I428 HydrophobicContact CG-CD1 3.71Å; I426-I428 HydrophobicContact CG2-CG2 4.41Å; I426-I428 PolarHBondContact O-N 3.38Å; I428-V431 HydrophobicContact CD1-CG1 4.32Å
429G95.4Very high95.6Very high30 Ų3071.4 Ų71.431%0.30939%0.394SS..  trans69.5-179.5-172.400000113.5D427D427-G429 WeakPolarHBondContact OD1-CA 3.48Å; D427-G429 PolarHBondContact OD1-N 2.8Å
430D97Very high95.7Very high116 Ų11674.6 Ų74.662%0.6242%0.418SS*.  trans-70137.3177.7-170.512.9000111.3R400 S432R400-D430 PolarHBondContact NH1-O 2.99Å; R400-D430 PolarHBondContact NH2-O 2.63Å; D430-S432 WeakPolarHBondContact OD1-CB 3.39Å; D430-S432 PolarHBondContact OD1-N 3.3Å; D430-S432 PolarHBondContact OD1-OG 3.46Å
431V97.8Very high95.9Very high14 Ų1475.5 Ų75.59%0.08542%0.42CS..  trans-122.96.6177.3-65.20000112.1R400 V404 I428 E433 R434 R435R400-V431 HydrophobicContact CG-CG1 4.37Å; V404-V431 HydrophobicContact CG2-CB 3.69Å; V404-V431 HydrophobicContact CG2-CG1 3.96Å; V404-V431 HydrophobicContact CG2-CG2 4.32Å; I428-V431 HydrophobicContact CD1-CG1 4.32Å; V431-E433 VanDerWaalsContact C-N 3.34Å; V431-E433 PolarHBondContact O-N 2.92Å; V431-R434 PolarHBondContact O-N 2.68Å; V431-R434 VanDerWaalsContact O-N 3.08Å; V431-R435 PolarHBondContact O-N 2.93Å
432S98.2Very high96.2Very high68 Ų6882 Ų8248%0.47645%0.446SS..Hα-helixtrans-58.5-43.2-175.7-61.10000112.1D430 R434 R435 A436D430-S432 WeakPolarHBondContact OD1-CB 3.39Å; D430-S432 PolarHBondContact OD1-N 3.3Å; D430-S432 PolarHBondContact OD1-OG 3.46Å; S432-R434 VanDerWaalsContact C-N 3.33Å; S432-R434 PolarHBondContact O-N 2.91Å; S432-R435 PolarHBondContact O-N 3.38Å; S432-A436 WeakPolarHBondContact O-CB 3.48Å; S432-A436 PolarHBondContact O-N 3.12Å
433E97.6Very high96.5Very high161 Ų16177.3 Ų77.375%0.75243%0.426SS*.Hα-helixtrans-61.7-40.4175.4-65-172166.500112.4V431 A436 L437V431-E433 VanDerWaalsContact C-N 3.34Å; V431-E433 PolarHBondContact O-N 2.92Å; E433-A436 PolarHBondContact O-N 3.17Å; E433-L437 WeakPolarHBondContact O-CB 3.36Å; E433-L437 PolarHBondContact O-N 3.18Å
434R98Very high96.9Very high22 Ų2274.7 Ų74.78%0.08341%0.408CS..Hα-helixtrans-68.2-39179.4-50.3-59.2-79.8174-0.8110.9G341 L343 D344 E356 V404 V431 S432 R438G341-R434 PolarHBondContact O-NH1 3.27Å; L343-R434 PolarHBondContact O-NH1 3.07Å; L343-R434 PolarHBondContact O-NH2 3.37Å; L343-R434 VanDerWaalsContact O-NH2 3.07Å; D344-R434 VanDerWaalsContact CB-NH2 3.33Å; D344-R434 IonicContact OD1-CZ 2.66Å; D344-R434 IonicContact OD1-NE 3.89Å; D344-R434 PolarHBondContact OD1-NE 2.88Å; D344-R434 IonicContact OD2-NE 2.79Å; E356-R434 IonicContact OE1-CZ 3.17Å; E356-R434 IonicContact OE1-NH2 3.17Å; E356-R434 PolarHBondContact OE1-NH2 2.93Å; V404-R434 HydrophobicContact CB-CB 4.46Å; V404-R434 HydrophobicContact CG1-CB 3.76Å; V404-R434 HydrophobicContact CG2-CB 3.8Å; V431-R434 PolarHBondContact O-N 2.68Å; V431-R434 VanDerWaalsContact O-N 3.08Å; S432-R434 VanDerWaalsContact C-N 3.33Å; S432-R434 PolarHBondContact O-N 2.91Å; R434-R438 PolarHBondContact O-N 2.94Å
435R98.2Very high97.2Very high115 Ų11577.5 Ų77.543%0.43442%0.421SS..Hα-helixtrans-65.3-41.8172.8-68179.5-175.9-104.84.2111.8E403 V431 S432 R438 K439E403-R435 PolarHBondContact O-NH1 3.05Å; E403-R435 PolarHBondContact O-NH2 3.06Å; E403-R435 IonicContact OE2-NH2 3.48Å; E403-R435 PolarHBondContact OE2-NH2 2.95Å; V431-R435 PolarHBondContact O-N 2.93Å; S432-R435 PolarHBondContact O-N 3.38Å; R435-R438 PolarHBondContact O-N 3.46Å; R435-K439 PolarHBondContact O-N 2.84Å
436A98.3Very high97.4Very high57 Ų5773.7 Ų73.747%0.47138%0.382SS..Hα-helixtrans-63.4-43.1177.200000111.7S432 E433 K439 S440S432-A436 WeakPolarHBondContact O-CB 3.48Å; S432-A436 PolarHBondContact O-N 3.12Å; E433-A436 PolarHBondContact O-N 3.17Å; A436-K439 PolarHBondContact O-N 2.99Å; A436-S440 PolarHBondContact O-N 3.47Å
437L97.9Very high97.7Very high36 Ų3675.2 Ų75.219%0.18839%0.388CS..Hα-helixtrans-59.1-48.8172.9176.168.4000111.8E433 K439 S440 L441E433-L437 WeakPolarHBondContact O-CB 3.36Å; E433-L437 PolarHBondContact O-N 3.18Å; L437-K439 PolarHBondContact O-N 3.05Å; L437-S440 PolarHBondContact O-N 3Å; L437-S440 PolarHBondContact O-OG 3.49Å; L437-L441 HydrophobicContact CD1-CD1 3.81Å; L437-L441 HydrophobicContact CD1-CG 4.07Å; L437-L441 HydrophobicContact CG-CD1 3.93Å; L437-L441 HydrophobicContact CG-CG 4.49Å; L437-L441 WeakPolarHBondContact O-CB 3.42Å; L437-L441 WeakPolarHBondContact O-CG 3.44Å; L437-L441 PolarHBondContact O-N 3.06Å
438R98.1Very high97.8Very high38 Ų3872.3 Ų72.314%0.14337%0.368CS..Hα-helixtrans-55.9-41.2176.8-179.3177.6177.3-154.8-7.2111.7V404 W405 D407 R434 R435 K442 C443 K444V404-R438 VanDerWaalsContact O-CD 3.24Å; V404-R438 WeakPolarHBondContact O-CD 3.01Å; V404-R438 PolarHBondContact O-NH1 3.28Å; W405-R438 HydrophobicContact CE3-CG 4.1Å; W405-R438 HydrophobicContact CH2-CB 3.97Å; W405-R438 HydrophobicContact CH2-CG 4.26Å; W405-R438 HydrophobicContact CZ3-CB 3.88Å; W405-R438 HydrophobicContact CZ3-CG 3.65Å; D407-R438 IonicContact OD1-CZ 3.73Å; D407-R438 IonicContact OD1-NH1 3.91Å; D407-R438 PolarHBondContact OD1-NH1 2.91Å; D407-R438 IonicContact OD1-NH2 2.84Å; D407-R438 PolarHBondContact OD1-NH2 2.05Å; D407-R438 IonicContact OD2-CZ 3.93Å; D407-R438 IonicContact OD2-NH2 3.91Å; D407-R438 PolarHBondContact OD2-NH2 3.26Å; R434-R438 PolarHBondContact O-N 2.94Å; R435-R438 PolarHBondContact O-N 3.46Å; R438-K442 PolarHBondContact O-N 3.03Å; R438-C443 HydrophobicContact CG-CB 4.07Å; R438-C443 PolarHBondContact O-N 3.49Å; R438-C443 PolarHBondContact O-SG 3.19Å; R438-K444 PolarHBondContact NH2-O 2.86Å
439K98Very high98Very high173 Ų17371 Ų7175%0.75236%0.361SS*.Hα-helixtrans-68.6-44.5177.3-173.6177.8179.1-179.70112.2R435 A436 L437 L441 K442R435-K439 PolarHBondContact O-N 2.84Å; A436-K439 PolarHBondContact O-N 2.99Å; L437-K439 PolarHBondContact O-N 3.05Å; K439-L441 VanDerWaalsContact C-N 3.32Å; K439-L441 PolarHBondContact O-N 3.35Å; K439-K442 PolarHBondContact O-N 3.31Å; K439-K442 VanDerWaalsContact O-N 3.09Å
440S98.1Very high98.1Very high83 Ų8369.6 Ų69.658%0.5835%0.346SS*.Hα-helixtrans-65.2-36.5-178.370.50000112.3A436 L437 K442A436-S440 PolarHBondContact O-N 3.47Å; L437-S440 PolarHBondContact O-N 3Å; L437-S440 PolarHBondContact O-OG 3.49Å; S440-K442 PolarHBondContact O-N 2.93Å
441L98.1Very high98.1Very high59 Ų5967.3 Ų67.331%0.30933%0.334SS..THydrogen-bonded Turntrans-74.5-5.8175.4-67.3176.6000113.9C364 L437 K439 C443C364-L441 HydrophobicContact CB-CD1 4.35Å; L437-L441 HydrophobicContact CD1-CD1 3.81Å; L437-L441 HydrophobicContact CD1-CG 4.07Å; L437-L441 HydrophobicContact CG-CD1 3.93Å; L437-L441 HydrophobicContact CG-CG 4.49Å; L437-L441 WeakPolarHBondContact O-CB 3.42Å; L437-L441 WeakPolarHBondContact O-CG 3.44Å; L437-L441 PolarHBondContact O-N 3.06Å; K439-L441 VanDerWaalsContact C-N 3.32Å; K439-L441 PolarHBondContact O-N 3.35Å; L441-C443 WeakPolarHBondContact CB-SG 3.35Å; L441-C443 PolarHBondContact O-N 3.33Å
442K98Very high98.1Very high188 Ų18871.2 Ų71.282%0.81735%0.351SS*.THydrogen-bonded Turntrans51.842-176.5-55.7179.9-177.3179.60111.9R438 K439 S440R438-K442 PolarHBondContact O-N 3.03Å; K439-K442 PolarHBondContact O-N 3.31Å; K439-K442 VanDerWaalsContact O-N 3.09Å; S440-K442 PolarHBondContact O-N 2.93Å
443C98.4Very high98.1Very high22 Ų2268.5 Ų68.515%0.14933%0.332CS..PPolyproline II helixtrans-64.9151.4-178-51.10000111L363 C364 R438 L441L363-C443 HydrophobicContact CB-CB 4.12Å; L363-C443 CarbonylContact O-C 3.6Å; L363-C443 VanDerWaalsContact O-CA 3.28Å; L363-C443 WeakPolarHBondContact O-CA 3.05Å; L363-C443 WeakPolarHBondContact O-CB 3.2Å; C364-C443 HydrophobicContact CB-CB 4.13Å; C364-C443 WeakPolarHBondContact CB-SG 3.13Å; C364-C443 WeakPolarHBondContact SG-CB 3.39Å; C364-C443 CovalentContact SG-SG 2.05Å; C364-C443 PolarHBondContact SG-SG 2.75Å; R438-C443 HydrophobicContact CG-CB 4.07Å; R438-C443 PolarHBondContact O-N 3.49Å; R438-C443 PolarHBondContact O-SG 3.19Å; L441-C443 WeakPolarHBondContact CB-SG 3.35Å; L441-C443 PolarHBondContact O-N 3.33Å
444K98.5Very high98Very high96 Ų9660.8 Ų60.842%0.41730%0.296SS..PPolyproline II helixtrans-65.7165.1176-58.8178.1-175.3-74.60110.8L363 R438 W448L363-K444 HydrophobicContact CD2-CB 4.07Å; L363-K444 PolarHBondContact O-N 2.84Å; R438-K444 PolarHBondContact NH2-O 2.86Å; K444-W448 HydrophobicContact CB-CB 4.28Å; K444-W448 HydrophobicContact CB-CD2 4.25Å; K444-W448 HydrophobicContact CB-CE3 4.15Å; K444-W448 HydrophobicContact CB-CG 4.29Å; K444-W448 HydrophobicContact CD-CD2 3.26Å; K444-W448 VanDerWaalsContact CD-CE2 3.41Å; K444-W448 HydrophobicContact CD-CE3 3.42Å; K444-W448 VanDerWaalsContact CD-CE3 3.42Å; K444-W448 HydrophobicContact CD-CG 3.81Å; K444-W448 HydrophobicContact CD-CH2 3.86Å; K444-W448 HydrophobicContact CD-CZ2 3.72Å; K444-W448 HydrophobicContact CD-CZ3 3.72Å; K444-W448 HydrophobicContact CG-CD2 4.36Å; K444-W448 HydrophobicContact CG-CE3 4.43Å
445N98.2Very high97.9Very high87 Ų8762.9 Ų62.947%0.46531%0.312SS..PPolyproline II helixtrans-77.516117264.528.5000111.1L363 D407 Q447 W448L363-N445 WeakPolarHBondContact CD2-O 3.06Å; D407-N445 WeakPolarHBondContact OD2-CA 3.26Å; D407-N445 WeakPolarHBondContact OD2-CB 3.14Å; N445-Q447 VanDerWaalsContact C-N 3.28Å; N445-Q447 PolarHBondContact O-N 2.97Å; N445-W448 WeakPolarHBondContact O-CB 3.44Å; N445-W448 PolarHBondContact O-N 3.39Å; N445-W448 WeakPolarHBondContact OD1-CB 3.4Å; N445-W448 PolarHBondContact OD1-N 2.93Å
446F98.5Very high97.7Very high0 Ų060.1 Ų60.10%030%0.304CS..Hα-helixtrans-69-28.3-178.2-167.5-112.2000112.9Y295 W297 I359 L363 W405 M406 D407 Y409 W448 Y449 L450Y295-F446 WeakPolarHBondContact OH-CZ 3.46Å; W297-F446 AromaticContact CH2-CE1 3.92Å; W297-F446 HydrophobicContact CH2-CE1 3.92Å; W297-F446 HydrophobicContact CZ3-CE1 4.01Å; W297-F446 HydrophobicContact CZ3-CZ 4.39Å; I359-F446 HydrophobicContact CD1-CE2 3.82Å; I359-F446 HydrophobicContact CD1-CZ 4.42Å; I359-F446 HydrophobicContact CG1-CE2 4.04Å; I359-F446 HydrophobicContact CG2-CD2 3.93Å; I359-F446 HydrophobicContact CG2-CE2 3.87Å; L363-F446 HydrophobicContact CD1-CD2 4.49Å; W405-F446 WeakPolarHBondContact O-CB 3.35Å; W405-F446 WeakPolarHBondContact O-CD2 3.19Å; M406-F446 HydrophobicContact CB-CD1 4.12Å; M406-F446 HydrophobicContact CB-CE1 4.19Å; M406-F446 HydrophobicContact CB-CG 4.31Å; M406-F446 HydrophobicContact CB-CZ 4.48Å; M406-F446 HydrophobicContact CE-CZ 4.36Å; M406-F446 HydrophobicContact CG-CD1 4.4Å; M406-F446 HydrophobicContact CG-CD2 4.29Å; M406-F446 HydrophobicContact CG-CE1 4.11Å; M406-F446 HydrophobicContact CG-CE2 4.03Å; M406-F446 HydrophobicContact CG-CG 4.47Å; M406-F446 HydrophobicContact CG-CZ 3.92Å; M406-F446 HydrophobicContact SD-CZ 4.34Å; D407-F446 HydrophobicContact CB-CB 4.34Å; D407-F446 WeakPolarHBondContact OD2-CB 3.4Å; D407-F446 PolarHBondContact OD2-N 2.9Å; Y409-F446 AromaticContact CD2-CD1 3.78Å; Y409-F446 HydrophobicContact CD2-CD1 3.78Å; Y409-F446 AromaticContact CG-CD1 3.82Å; Y409-F446 HydrophobicContact CG-CD1 3.82Å; Y409-F446 HydrophobicContact CG-CE1 4.15Å; F446-W448 VanDerWaalsContact C-N 3.29Å; F446-W448 PolarHBondContact O-N 3.44Å; F446-Y449 HydrophobicContact CD2-CD1 4.22Å; F446-Y449 HydrophobicContact CD2-CG 4.45Å; F446-Y449 AromaticContact CE2-CD1 3.71Å; F446-Y449 HydrophobicContact CE2-CD1 3.71Å; F446-Y449 HydrophobicContact CE2-CE1 4.17Å; F446-Y449 HydrophobicContact CE2-CG 4.32Å; F446-Y449 HydrophobicContact CZ-CD1 4.22Å; F446-Y449 WeakPolarHBondContact O-CB 3.09Å; F446-Y449 PolarHBondContact O-N 3.49Å; F446-Y449 VanDerWaalsContact O-N 3.09Å; F446-L450 HydrophobicContact CD1-CD1 3.98Å; F446-L450 HydrophobicContact CD1-CG 4.1Å; F446-L450 HydrophobicContact CE1-CD1 3.8Å; F446-L450 HydrophobicContact CE1-CD2 3.95Å; F446-L450 HydrophobicContact CE1-CG 3.84Å; F446-L450 HydrophobicContact CZ-CD2 4.06Å; F446-L450 HydrophobicContact CZ-CG 4.31Å; F446-L450 PolarHBondContact O-N 3.45Å
447Q98.2Very high97.5Very high61 Ų6157.5 Ų57.529%0.28528%0.282SS..Hα-helixtrans-53-48.1170.51796461.500111.3Y409 N445 Y449 L450 D451Y409-Q447 HydrophobicContact CE2-CB 4.31Å; Y409-Q447 VanDerWaalsContact CZ-OE1 3.27Å; Y409-Q447 PolarHBondContact OH-OE1 3.44Å; N445-Q447 VanDerWaalsContact C-N 3.28Å; N445-Q447 PolarHBondContact O-N 2.97Å; Q447-Y449 VanDerWaalsContact C-N 3.27Å; Q447-Y449 PolarHBondContact O-N 3.29Å; Q447-L450 PolarHBondContact O-N 2.89Å; Q447-D451 WeakPolarHBondContact CG-OD2 3.43Å; Q447-D451 PolarHBondContact NE2-OD1 3.23Å; Q447-D451 PolarHBondContact NE2-OD2 2.68Å; Q447-D451 VanDerWaalsContact O-CG 3.28Å; Q447-D451 PolarHBondContact O-N 2.89Å
448W98.5Very high97.4Very high65 Ų6557.7 Ų57.725%0.24628%0.281CS..Hα-helixtrans-59-39.9177.8179.491.8000112W362 L363 K444 N445 F446 D451 H452 V453W362-W448 HydrophobicContact CE3-CH2 4.47Å; L363-W448 HydrophobicContact CD2-CE3 4.38Å; K444-W448 HydrophobicContact CB-CB 4.28Å; K444-W448 HydrophobicContact CB-CD2 4.25Å; K444-W448 HydrophobicContact CB-CE3 4.15Å; K444-W448 HydrophobicContact CB-CG 4.29Å; K444-W448 HydrophobicContact CD-CD2 3.26Å; K444-W448 VanDerWaalsContact CD-CE2 3.41Å; K444-W448 HydrophobicContact CD-CE3 3.42Å; K444-W448 VanDerWaalsContact CD-CE3 3.42Å; K444-W448 HydrophobicContact CD-CG 3.81Å; K444-W448 HydrophobicContact CD-CH2 3.86Å; K444-W448 HydrophobicContact CD-CZ2 3.72Å; K444-W448 HydrophobicContact CD-CZ3 3.72Å; K444-W448 HydrophobicContact CG-CD2 4.36Å; K444-W448 HydrophobicContact CG-CE3 4.43Å; N445-W448 WeakPolarHBondContact O-CB 3.44Å; N445-W448 PolarHBondContact O-N 3.39Å; N445-W448 WeakPolarHBondContact OD1-CB 3.4Å; N445-W448 PolarHBondContact OD1-N 2.93Å; F446-W448 VanDerWaalsContact C-N 3.29Å; F446-W448 PolarHBondContact O-N 3.44Å; W448-D451 PolarHBondContact O-N 3.31Å; W448-H452 AromaticContact CD1-CE1 3.43Å; W448-H452 VanDerWaalsContact CD1-CE1 3.43Å; W448-H452 AromaticContact CD1-ND1 3.31Å; W448-H452 VanDerWaalsContact CD1-ND1 3.31Å; W448-H452 HydrophobicContact CD2-CB 4.35Å; W448-H452 AromaticContact CD2-ND1 3.97Å; W448-H452 AromaticContact CE2-CG 3.8Å; W448-H452 AromaticContact CE2-ND1 3.81Å; W448-H452 AromaticContact CG-ND1 3.68Å; W448-H452 HydrophobicContact CH2-CB 4.45Å; W448-H452 HydrophobicContact CZ2-CB 4.03Å; W448-H452 AromaticContact NE1-CD2 3.91Å; W448-H452 AromaticContact NE1-CE1 3.56Å; W448-H452 AromaticContact NE1-CG 3.61Å; W448-H452 AromaticContact NE1-ND1 3.36Å; W448-H452 PolarHBondContact NE1-ND1 3.15Å; W448-H452 AromaticContact NE1-NE2 3.85Å; W448-H452 WeakPolarHBondContact O-CB 3.44Å; W448-H452 PolarHBondContact O-N 2.89Å; W448-H452 PolarHBondContact O-ND1 3.27Å; W448-V453 HydrophobicContact CE3-CG2 4.36Å; W448-V453 HydrophobicContact CH2-CG2 4.1Å; W448-V453 HydrophobicContact CZ3-CG2 3.67Å
449Y98.6Very high97.2Very high0 Ų059.9 Ų59.90%029%0.289CS..Hα-helixtrans-62.1-47.7176.3174.6-87.6000111.3Y295 P323 I359 W362 F446 Q447 D451 H452 V453 Y454Y295-Y449 HydrophobicContact CE1-CE1 4.23Å; Y295-Y449 WeakPolarHBondContact CE1-OH 3.24Å; Y295-Y449 VanDerWaalsContact OH-CE1 3.3Å; Y295-Y449 WeakPolarHBondContact OH-CE1 3.5Å; P323-Y449 VanDerWaalsContact CB-OH 3.32Å; P323-Y449 WeakPolarHBondContact CB-OH 3.4Å; P323-Y449 PolarHBondContact O-OH 3.3Å; I359-Y449 HydrophobicContact CG1-CE1 4.26Å; I359-Y449 HydrophobicContact CG1-CE2 4.34Å; W362-Y449 HydrophobicContact CB-CD2 3.68Å; W362-Y449 HydrophobicContact CB-CE2 3.82Å; W362-Y449 AromaticContact CD1-CE2 3.88Å; W362-Y449 HydrophobicContact CG-CD2 4.27Å; W362-Y449 HydrophobicContact CG-CE2 4.04Å; F446-Y449 HydrophobicContact CD2-CD1 4.22Å; F446-Y449 HydrophobicContact CD2-CG 4.45Å; F446-Y449 AromaticContact CE2-CD1 3.71Å; F446-Y449 HydrophobicContact CE2-CD1 3.71Å; F446-Y449 HydrophobicContact CE2-CE1 4.17Å; F446-Y449 HydrophobicContact CE2-CG 4.32Å; F446-Y449 HydrophobicContact CZ-CD1 4.22Å; F446-Y449 WeakPolarHBondContact O-CB 3.09Å; F446-Y449 PolarHBondContact O-N 3.49Å; F446-Y449 VanDerWaalsContact O-N 3.09Å; Q447-Y449 VanDerWaalsContact C-N 3.27Å; Q447-Y449 PolarHBondContact O-N 3.29Å; Y449-D451 VanDerWaalsContact C-N 3.27Å; Y449-D451 PolarHBondContact O-N 2.04Å; Y449-H452 PolarHBondContact O-N 3.44Å; Y449-V453 HydrophobicContact CD2-CB 3.77Å; Y449-V453 HydrophobicContact CD2-CG1 3.98Å; Y449-V453 HydrophobicContact CD2-CG2 3.86Å; Y449-V453 HydrophobicContact CE2-CB 3.93Å; Y449-V453 HydrophobicContact CE2-CG1 3.64Å; Y449-V453 HydrophobicContact CE2-CG2 4.38Å; Y449-V453 HydrophobicContact CG-CB 4.18Å; Y449-V453 HydrophobicContact CG-CG2 4.39Å; Y449-V453 WeakPolarHBondContact O-CA 3.43Å; Y449-V453 WeakPolarHBondContact O-CB 3.39Å; Y449-V453 PolarHBondContact O-N 2.97Å; Y449-Y454 HydrophobicContact CE1-CD1 4.42Å; Y449-Y454 PolarHBondContact O-N 3.31Å
450L97.7Very high97.1Very high0 Ų051.9 Ų51.90%025%0.254CS..Hα-helixtrans-64.2-31.8176.8-64.4178.1000112.5W297 Y409 F446 Q447 Y454 P455 M457 R459W297-L450 HydrophobicContact CH2-CD1 4.27Å; W297-L450 HydrophobicContact CH2-CD2 4.43Å; Y409-L450 HydrophobicContact CD1-CD1 3.59Å; Y409-L450 HydrophobicContact CD2-CD1 4.06Å; Y409-L450 HydrophobicContact CE1-CD1 3.55Å; Y409-L450 HydrophobicContact CE2-CD1 4.01Å; Y409-L450 HydrophobicContact CG-CD1 3.85Å; F446-L450 HydrophobicContact CD1-CD1 3.98Å; F446-L450 HydrophobicContact CD1-CG 4.1Å; F446-L450 HydrophobicContact CE1-CD1 3.8Å; F446-L450 HydrophobicContact CE1-CD2 3.95Å; F446-L450 HydrophobicContact CE1-CG 3.84Å; F446-L450 HydrophobicContact CZ-CD2 4.06Å; F446-L450 HydrophobicContact CZ-CG 4.31Å; F446-L450 PolarHBondContact O-N 3.45Å; Q447-L450 PolarHBondContact O-N 2.89Å; L450-Y454 CarbonylContact O-C 3.56Å; L450-Y454 VanDerWaalsContact O-C 3.26Å; L450-P455 WeakPolarHBondContact O-CA 3.4Å; L450-P455 VanDerWaalsContact O-N 3.16Å; L450-M457 HydrophobicContact CD2-CB 4.13Å; L450-M457 HydrophobicContact CD2-CG 4.39Å; L450-M457 HydrophobicContact CD2-SD 3.69Å; L450-R459 VanDerWaalsContact C-NH2 3.29Å; L450-R459 PolarHBondContact O-NH2 3.32Å; L450-R459 VanDerWaalsContact O-NH2 3.11Å
451D97.5Very high96.9Very high69 Ų6951.9 Ų51.937%0.36925%0.248SC..Hα-helixtrans-81-33.6-179.1-65.8-27.6000113.1Q447 W448 Y449 R459Q447-D451 WeakPolarHBondContact CG-OD2 3.43Å; Q447-D451 PolarHBondContact NE2-OD1 3.23Å; Q447-D451 PolarHBondContact NE2-OD2 2.68Å; Q447-D451 VanDerWaalsContact O-CG 3.28Å; Q447-D451 PolarHBondContact O-N 2.89Å; W448-D451 PolarHBondContact O-N 3.31Å; Y449-D451 VanDerWaalsContact C-N 3.27Å; Y449-D451 PolarHBondContact O-N 2.04Å; D451-R459 IonicContact OD1-CZ 3.63Å; D451-R459 VanDerWaalsContact OD1-CZ 3.26Å; D451-R459 IonicContact OD1-NH1 3.27Å; D451-R459 PolarHBondContact OD1-NH1 3.37Å; D451-R459 IonicContact OD1-NH2 3.24Å; D451-R459 PolarHBondContact OD1-NH2 2.83Å
452H97.1Very high96.8Very high95 Ų9551.1 Ų51.144%0.4424%0.244SC..Hα-helixtrans-112.6-21.2-169.6-60.478.9000113.9R321 W448 Y449R321-H452 PolarHBondContact NH1-O 2.82Å; R321-H452 PolarHBondContact NH2-O 2.93Å; W448-H452 AromaticContact CD1-CE1 3.43Å; W448-H452 VanDerWaalsContact CD1-CE1 3.43Å; W448-H452 AromaticContact CD1-ND1 3.31Å; W448-H452 VanDerWaalsContact CD1-ND1 3.31Å; W448-H452 HydrophobicContact CD2-CB 4.35Å; W448-H452 AromaticContact CD2-ND1 3.97Å; W448-H452 AromaticContact CE2-CG 3.8Å; W448-H452 AromaticContact CE2-ND1 3.81Å; W448-H452 AromaticContact CG-ND1 3.68Å; W448-H452 HydrophobicContact CH2-CB 4.45Å; W448-H452 HydrophobicContact CZ2-CB 4.03Å; W448-H452 AromaticContact NE1-CD2 3.91Å; W448-H452 AromaticContact NE1-CE1 3.56Å; W448-H452 AromaticContact NE1-CG 3.61Å; W448-H452 AromaticContact NE1-ND1 3.36Å; W448-H452 PolarHBondContact NE1-ND1 3.15Å; W448-H452 AromaticContact NE1-NE2 3.85Å; W448-H452 WeakPolarHBondContact O-CB 3.44Å; W448-H452 PolarHBondContact O-N 2.89Å; W448-H452 PolarHBondContact O-ND1 3.27Å; Y449-H452 PolarHBondContact O-N 3.44Å
453V97.7Very high96.7Very high11 Ų1142.5 Ų42.57%0.06721%0.207CC..THydrogen-bonded Turntrans-115.5-43-172.1-1710000111.5P323 W362 W448 Y449 P455P323-V453 HydrophobicContact CB-CG1 3.96Å; W362-V453 HydrophobicContact CB-CG1 4.37Å; W362-V453 HydrophobicContact CB-CG2 4.08Å; W362-V453 HydrophobicContact CD2-CB 4.33Å; W362-V453 HydrophobicContact CD2-CG1 3.54Å; W362-V453 HydrophobicContact CD2-CG2 3.73Å; W362-V453 HydrophobicContact CE3-CG1 4.24Å; W362-V453 HydrophobicContact CE3-CG2 3.69Å; W362-V453 HydrophobicContact CG-CB 4.39Å; W362-V453 HydrophobicContact CG-CG1 3.58Å; W362-V453 HydrophobicContact CG-CG2 3.93Å; W362-V453 HydrophobicContact CZ2-CG1 4.23Å; W362-V453 HydrophobicContact CZ3-CG2 4.43Å; W448-V453 HydrophobicContact CE3-CG2 4.36Å; W448-V453 HydrophobicContact CH2-CG2 4.1Å; W448-V453 HydrophobicContact CZ3-CG2 3.67Å; Y449-V453 HydrophobicContact CD2-CB 3.77Å; Y449-V453 HydrophobicContact CD2-CG1 3.98Å; Y449-V453 HydrophobicContact CD2-CG2 3.86Å; Y449-V453 HydrophobicContact CE2-CB 3.93Å; Y449-V453 HydrophobicContact CE2-CG1 3.64Å; Y449-V453 HydrophobicContact CE2-CG2 4.38Å; Y449-V453 HydrophobicContact CG-CB 4.18Å; Y449-V453 HydrophobicContact CG-CG2 4.39Å; Y449-V453 WeakPolarHBondContact O-CA 3.43Å; Y449-V453 WeakPolarHBondContact O-CB 3.39Å; Y449-V453 PolarHBondContact O-N 2.97Å; V453-P455 VanDerWaalsContact C-CD 3.47Å
454Y96.8Very high96.6Very high0 Ų044 Ų440%022%0.215CC..  trans-132.959.5-179.4-157.9-169.7000113.4Y295 I304 P323 Y449 L450 E456 M457 T518Y295-Y454 HydrophobicContact CD1-CD1 4.1Å; Y295-Y454 AromaticContact CD1-CE1 3.72Å; Y295-Y454 HydrophobicContact CD1-CE1 3.72Å; Y295-Y454 AromaticContact CE1-CD1 3.6Å; Y295-Y454 HydrophobicContact CE1-CD1 3.6Å; Y295-Y454 AromaticContact CE1-CE1 3.69Å; Y295-Y454 HydrophobicContact CE1-CE1 3.69Å; Y295-Y454 HydrophobicContact CG-CE1 4.33Å; Y295-Y454 PolarHBondContact N-OH 3.08Å; Y295-Y454 PolarHBondContact O-OH 3.42Å; Y295-Y454 VanDerWaalsContact O-OH 3.13Å; I304-Y454 HydrophobicContact CD1-CD2 4.45Å; I304-Y454 HydrophobicContact CD1-CE2 3.81Å; P323-Y454 HydrophobicContact CB-CD1 3.99Å; P323-Y454 HydrophobicContact CB-CD2 4.19Å; P323-Y454 HydrophobicContact CB-CG 3.69Å; P323-Y454 HydrophobicContact CG-CD1 4.09Å; P323-Y454 HydrophobicContact CG-CD2 3.75Å; P323-Y454 HydrophobicContact CG-CE1 4.44Å; P323-Y454 HydrophobicContact CG-CE2 4.1Å; P323-Y454 HydrophobicContact CG-CG 3.75Å; Y449-Y454 HydrophobicContact CE1-CD1 4.42Å; Y449-Y454 PolarHBondContact O-N 3.31Å; L450-Y454 CarbonylContact O-C 3.56Å; L450-Y454 VanDerWaalsContact O-C 3.26Å; Y454-E456 HydrophobicContact CE2-CB 4.44Å; Y454-E456 PolarHBondContact O-N 3.37Å; Y454-M457 HydrophobicContact CD1-CB 3.74Å; Y454-M457 HydrophobicContact CD1-CG 4.11Å; Y454-M457 HydrophobicContact CD1-SD 3.81Å; Y454-M457 HydrophobicContact CD2-CB 4.22Å; Y454-M457 HydrophobicContact CE1-CB 3.9Å; Y454-M457 HydrophobicContact CE1-CG 3.97Å; Y454-M457 HydrophobicContact CE1-SD 3.9Å; Y454-M457 HydrophobicContact CE2-CB 4.38Å; Y454-M457 HydrophobicContact CG-CB 3.89Å; Y454-M457 WeakPolarHBondContact O-CB 3.05Å; Y454-M457 PolarHBondContact O-N 3.32Å; Y454-M457 VanDerWaalsContact O-N 3.13Å; Y454-T518 HydrophobicContact CE2-CG2 4.38Å
455P95.4Very high96.5Very high65 Ų6539.5 Ų39.542%0.42220%0.196SC..THydrogen-bonded Turntrans-64.7-21.5-177.427.5-35000114.4L450 V453 M457L450-P455 WeakPolarHBondContact O-CA 3.4Å; L450-P455 VanDerWaalsContact O-N 3.16Å; V453-P455 VanDerWaalsContact C-CD 3.47Å; P455-M457 PolarHBondContact O-N 2.94Å
456E93.6Very high96.5Very high58 Ų5835.4 Ų35.427%0.27117%0.174SC..THydrogen-bonded Turntrans-75-14.6177-55.277.6-171.200112.4Y454 R458 T518 T519 L520Y454-E456 HydrophobicContact CE2-CB 4.44Å; Y454-E456 PolarHBondContact O-N 3.37Å; E456-R458 PolarHBondContact O-N 2.89Å; E456-T518 CarbonylContact O-C 3.6Å; E456-T518 WeakPolarHBondContact O-CA 3.28Å; E456-T518 WeakPolarHBondContact O-CB 3.22Å; E456-T519 PolarHBondContact O-N 3.28Å; E456-T519 PolarHBondContact O-OG1 3.26Å; E456-L520 HydrophobicContact CG-CD1 4.23Å
457M95.3Very high96.4Very high2 Ų235.4 Ų35.41%0.0117%0.174CC..BIsolated β-bridgetrans-68123.2179.6-164.5177.9-165.600110.7Y295 W297 L450 Y454 P455Y295-M457 HydrophobicContact CD2-CE 3.81Å; Y295-M457 HydrophobicContact CE2-CE 3.38Å; Y295-M457 HydrophobicContact CE2-SD 3.94Å; W297-M457 HydrophobicContact CD2-CE 3.37Å; W297-M457 HydrophobicContact CD2-SD 4.48Å; W297-M457 HydrophobicContact CE3-CE 3.61Å; W297-M457 HydrophobicContact CG-CE 3.89Å; W297-M457 HydrophobicContact CH2-CE 3.97Å; W297-M457 HydrophobicContact CH2-SD 3.92Å; W297-M457 HydrophobicContact CZ2-CE 3.72Å; W297-M457 HydrophobicContact CZ2-CG 4.04Å; W297-M457 HydrophobicContact CZ2-SD 3.73Å; W297-M457 HydrophobicContact CZ3-CE 3.91Å; W297-M457 HydrophobicContact CZ3-SD 4.34Å; L450-M457 HydrophobicContact CD2-CB 4.13Å; L450-M457 HydrophobicContact CD2-CG 4.39Å; L450-M457 HydrophobicContact CD2-SD 3.69Å; Y454-M457 HydrophobicContact CD1-CB 3.74Å; Y454-M457 HydrophobicContact CD1-CG 4.11Å; Y454-M457 HydrophobicContact CD1-SD 3.81Å; Y454-M457 HydrophobicContact CD2-CB 4.22Å; Y454-M457 HydrophobicContact CE1-CB 3.9Å; Y454-M457 HydrophobicContact CE1-CG 3.97Å; Y454-M457 HydrophobicContact CE1-SD 3.9Å; Y454-M457 HydrophobicContact CE2-CB 4.38Å; Y454-M457 HydrophobicContact CG-CB 3.89Å; Y454-M457 WeakPolarHBondContact O-CB 3.05Å; Y454-M457 PolarHBondContact O-N 3.32Å; Y454-M457 VanDerWaalsContact O-N 3.13Å; P455-M457 PolarHBondContact O-N 2.94Å
458R94.7Very high96.3Very high40 Ų4033 Ų3315%0.15116%0.163CC..  trans-70.5141-176.5-169.5176.2-65.1-1161.5111.2W297 E456 Y460 T517 T518 T519 L521 D523W297-R458 WeakPolarHBondContact CZ2-O 3.22Å; W297-R458 PolarHBondContact NE1-O 3.28Å; E456-R458 PolarHBondContact O-N 2.89Å; R458-Y460 WeakPolarHBondContact CD-OH 3.33Å; R458-Y460 HydrophobicContact CG-CE1 4.08Å; R458-T517 PolarHBondContact N-O 3.02Å; R458-T518 PolarHBondContact NE-O 3.21Å; R458-T518 PolarHBondContact NH2-O 2.87Å; R458-T519 HydrophobicContact CB-CG2 4.48Å; R458-L521 PolarHBondContact NH2-O 3.08Å; R458-D523 WeakPolarHBondContact CD-OD2 3.38Å; R458-D523 IonicContact CZ-OD2 3.42Å; R458-D523 IonicContact NE-OD2 3.43Å; R458-D523 IonicContact NH1-OD2 3.5Å; R458-D523 PolarHBondContact NH1-OD2 2.81Å
459R95.3Very high96.2Very high83 Ų8330 Ų3031%0.31315%0.151SC..  trans-115142.8-177.1-54.2176.5-164.8-179.7-0.4111.3Y409 L450 D451Y409-R459 HydrophobicContact CE1-CB 4.5Å; Y409-R459 HydrophobicContact CE1-CG 4.26Å; L450-R459 VanDerWaalsContact C-NH2 3.29Å; L450-R459 PolarHBondContact O-NH2 3.32Å; L450-R459 VanDerWaalsContact O-NH2 3.11Å; D451-R459 IonicContact OD1-CZ 3.63Å; D451-R459 VanDerWaalsContact OD1-CZ 3.26Å; D451-R459 IonicContact OD1-NH1 3.27Å; D451-R459 PolarHBondContact OD1-NH1 3.37Å; D451-R459 IonicContact OD1-NH2 3.24Å; D451-R459 PolarHBondContact OD1-NH2 2.83Å
460Y95.1Very high96.1Very high5 Ų535.1 Ų35.12%0.0217%0.171CC..  trans-120.532-176.1-56.1-68.8000113.9W297 H412 R458 N462 T463 R503 L515 G516 D523W297-Y460 AromaticContact CD1-CE2 3.56Å; W297-Y460 AromaticContact NE1-CD2 3.93Å; W297-Y460 AromaticContact NE1-CE2 3.67Å; H412-Y460 AromaticContact CD2-CD2 3.83Å; H412-Y460 PolarHBondContact CD2-N 2.65Å; H412-Y460 VanDerWaalsContact CD2-N 3.34Å; H412-Y460 PolarHBondContact NE2-N 3.11Å; R458-Y460 WeakPolarHBondContact CD-OH 3.33Å; R458-Y460 HydrophobicContact CG-CE1 4.08Å; Y460-N462 PolarHBondContact O-N 3.42Å; Y460-T463 WeakPolarHBondContact O-CB 3.09Å; Y460-T463 PolarHBondContact O-N 3.06Å; Y460-T463 PolarHBondContact O-OG1 3.26Å; Y460-R503 VanDerWaalsContact CD1-NH2 3.32Å; Y460-L515 HydrophobicContact CD2-CD1 3.88Å; Y460-L515 HydrophobicContact CD2-CD2 4.28Å; Y460-L515 HydrophobicContact CE1-CD2 4.21Å; Y460-L515 HydrophobicContact CE2-CB 3.84Å; Y460-L515 HydrophobicContact CE2-CD1 3.71Å; Y460-L515 HydrophobicContact CE2-CD2 4Å; Y460-L515 HydrophobicContact CE2-CG 4.06Å; Y460-G516 WeakPolarHBondContact OH-CA 3.22Å; Y460-G516 PolarHBondContact OH-N 3.18Å; Y460-G516 PolarHBondContact OH-O 3.44Å; Y460-D523 PolarHBondContact OH-OD1 3.22Å
461N94.4Very high96Very high84 Ų8435.4 Ų35.445%0.44917%0.172SC..THydrogen-bonded Turntrans-62-17-173.4-58.76.3000114Y409 H412 T463Y409-N461 VanDerWaalsContact CE1-OD1 3.23Å; Y409-N461 WeakPolarHBondContact CE1-OD1 3.25Å; Y409-N461 PolarHBondContact OH-ND2 3.06Å; H412-N461 PolarHBondContact CE1-OD1 3.21Å; H412-N461 PolarHBondContact NE2-OD1 2.86Å; N461-T463 VanDerWaalsContact C-N 3.3Å
462N95.1Very high95.9Very high42 Ų4235.3 Ų35.323%0.22517%0.172CC..THydrogen-bonded Turntrans-86.64.8177.266.4-19.6000113.5Y460 T505 K506 E507Y460-N462 PolarHBondContact O-N 3.42Å; N462-T505 CarbonylContact O-C 3.45Å; N462-T505 WeakPolarHBondContact O-CA 3.05Å; N462-K506 WeakPolarHBondContact O-CG 3.32Å; N462-K506 PolarHBondContact O-N 2.94Å; N462-E507 PolarHBondContact ND2-OE1 3.32Å; N462-E507 PolarHBondContact ND2-OE2 3.42Å
463T96.4Very high95.7Very high7 Ų736.6 Ų36.64%0.04318%0.176CC..EExtended strand (participates in β ladder)trans-71.4131.2179.1-56.80000111.1I415 Y460 N461 Y466 R503 I597I415-T463 HydrophobicContact CD1-CG2 3.95Å; Y460-T463 WeakPolarHBondContact O-CB 3.09Å; Y460-T463 PolarHBondContact O-N 3.06Å; Y460-T463 PolarHBondContact O-OG1 3.26Å; N461-T463 VanDerWaalsContact C-N 3.3Å; T463-Y466 HydrophobicContact CG2-CD1 4.24Å; T463-R503 HydrophobicContact CG2-CG 3.42Å; T463-R503 VanDerWaalsContact CG2-CG 3.42Å; T463-R503 VanDerWaalsContact OG1-CD 3.26Å; T463-R503 WeakPolarHBondContact OG1-CD 3.34Å; T463-R503 PolarHBondContact OG1-NH1 3.48Å; T463-R503 VanDerWaalsContact OG1-NH1 3.08Å; T463-I597 HydrophobicContact CG2-CD1 3.8Å
464V95.8Very high95.3Very high53 Ų5336.4 Ų36.432%0.32118%0.176SC..EExtended strand (participates in β ladder)trans-110.8-38.3178.6179.10000111Y504 K506 I597V464-Y504 HydrophobicContact CB-CD1 4.31Å; V464-Y504 PolarHBondContact N-O 2.98Å; V464-K506 HydrophobicContact CG2-CB 4.33Å; V464-K506 HydrophobicContact CG2-CG 3.5Å; V464-K506 VanDerWaalsContact CG2-CG 3.5Å; V464-I597 PolarHBondContact O-N 2.99Å
465A96.7Very high94.8Very high3 Ų343.9 Ų43.93%0.02521%0.209CC..EExtended strand (participates in β ladder)trans-144.5149.1176.400000110.2R503 Y504 F554 I593 N595A465-R503 WeakPolarHBondContact O-CA 3.13Å; A465-Y504 PolarHBondContact N-O 2.88Å; A465-Y504 PolarHBondContact O-N 3.32Å; A465-F554 HydrophobicContact CB-CE1 4.39Å; A465-I593 HydrophobicContact CB-CB 4.02Å; A465-I593 HydrophobicContact CB-CD1 4.06Å; A465-I593 HydrophobicContact CB-CG2 3.81Å; A465-N595 CarbonylContact C-O 3.54Å; A465-N595 VanDerWaalsContact CA-O 3.24Å; A465-N595 WeakPolarHBondContact CA-O 3.39Å; A465-N595 WeakPolarHBondContact CB-O 3.44Å
466Y97.3Very high94.5Very high0 Ų047.2 Ų47.20%022%0.223CC..EExtended strand (participates in β ladder)trans-153.3165.8-179.666.5-81.7000113.7I415 L419 T463 L501 A502 I593 N595 I597I415-Y466 HydrophobicContact CB-CD2 4.11Å; I415-Y466 HydrophobicContact CB-CE2 4.3Å; I415-Y466 HydrophobicContact CB-CG 4.34Å; I415-Y466 HydrophobicContact CG1-CD1 3.76Å; I415-Y466 HydrophobicContact CG1-CD2 3.93Å; I415-Y466 HydrophobicContact CG1-CE1 3.85Å; I415-Y466 HydrophobicContact CG1-CE2 4.01Å; I415-Y466 HydrophobicContact CG1-CG 3.79Å; I415-Y466 HydrophobicContact CG2-CD2 4.1Å; I415-Y466 HydrophobicContact CG2-CG 4.14Å; L419-Y466 WeakPolarHBondContact O-CE2 3.47Å; L419-Y466 PolarHBondContact O-OH 3.06Å; T463-Y466 HydrophobicContact CG2-CD1 4.24Å; Y466-L501 HydrophobicContact CD2-CD1 4.44Å; Y466-A502 CarbonylContact C-O 3.59Å; Y466-A502 WeakPolarHBondContact CA-O 3.45Å; Y466-I593 VanDerWaalsContact N-CG2 3.3Å; Y466-I593 WeakPolarHBondContact O-CG2 3.43Å; Y466-N595 HydrophobicContact CD1-CB 4.1Å; Y466-N595 HydrophobicContact CD2-CB 4.12Å; Y466-N595 HydrophobicContact CE1-CB 3.77Å; Y466-N595 HydrophobicContact CE2-CB 3.8Å; Y466-N595 VanDerWaalsContact CE2-ND2 3.32Å; Y466-N595 WeakPolarHBondContact CE2-ND2 3.32Å; Y466-N595 HydrophobicContact CG-CB 4.28Å; Y466-N595 PolarHBondContact N-O 3.06Å; Y466-N595 WeakPolarHBondContact O-CA 3.41Å; Y466-N595 VanDerWaalsContact O-CB 3.29Å; Y466-N595 WeakPolarHBondContact O-CB 3.42Å; Y466-N595 PolarHBondContact O-N 2.8Å; Y466-N595 PolarHBondContact O-ND2 3.18Å; Y466-I597 HydrophobicContact CD1-CD1 4.04Å; Y466-I597 HydrophobicContact CD1-CG1 3.92Å; Y466-I597 HydrophobicContact CE1-CD1 3.91Å; Y466-I597 HydrophobicContact CE1-CG1 3.6Å
467G96.7Very high94.6Very high0 Ų045.6 Ų45.60%022%0.217CC..EExtended strand (participates in β ladder)trans107.3-156.2176.500000112.1N418 L469 A502N418-G467 WeakPolarHBondContact OD1-CA 3.49Å; G467-L469 PolarHBondContact O-N 3.29Å; G467-A502 PolarHBondContact N-O 3.09Å; G467-A502 WeakPolarHBondContact O-CB 3.37Å; G467-A502 PolarHBondContact O-N 3.3Å
468E96Very high94.6Very high12 Ų1245.5 Ų45.56%0.05622%0.217CC..EExtended strand (participates in β ladder)trans-62.4129.7179.9-68.3160.2-132.700111R470 K594E468-R470 IonicContact OE2-CZ 3.26Å; E468-R470 IonicContact OE2-NE 3.46Å; E468-R470 PolarHBondContact OE2-NE 3.25Å; E468-R470 IonicContact OE2-NH2 2.7Å; E468-R470 PolarHBondContact OE2-NH2 3.29Å; E468-K594 HydrophobicContact CB-CB 4.35Å; E468-K594 HydrophobicContact CB-CD 4.31Å; E468-K594 HydrophobicContact CG-CD 4.44Å; E468-K594 PolarHBondContact O-N 3.39Å; E468-K594 IonicContact OE1-NZ 2.9Å; E468-K594 PolarHBondContact OE1-NZ 2.03Å
469L97Very high94.7Very high0 Ų043.7 Ų43.70%021%0.21CC..EExtended strand (participates in β ladder)trans-104112.9175.5171.953.8000109.6G467 L479 A502 L510 I560 W591 T592 I593G467-L469 PolarHBondContact O-N 3.29Å; L469-L479 HydrophobicContact CB-CB 4.02Å; L469-L479 HydrophobicContact CD2-CB 4.31Å; L469-L479 HydrophobicContact CD2-CD2 3.56Å; L469-L479 HydrophobicContact CG-CB 4.17Å; L469-L479 HydrophobicContact CG-CD2 4.34Å; L469-L479 PolarHBondContact O-N 2.92Å; L469-A502 HydrophobicContact CB-CB 3.77Å; L469-A502 HydrophobicContact CD2-CB 4.37Å; L469-L510 HydrophobicContact CD2-CD1 4.21Å; L469-L510 HydrophobicContact CD2-CD2 3.86Å; L469-I560 HydrophobicContact CD1-CD1 3.81Å; L469-I560 HydrophobicContact CD2-CD1 3.79Å; L469-I560 HydrophobicContact CG-CD1 4.41Å; L469-W591 HydrophobicContact CD1-CB 3.96Å; L469-W591 HydrophobicContact CD1-CD2 4.25Å; L469-W591 HydrophobicContact CD1-CE3 3.58Å; L469-W591 HydrophobicContact CD1-CG 4.46Å; L469-W591 HydrophobicContact CD1-CZ3 4.43Å; L469-W591 HydrophobicContact CD2-CE3 4.43Å; L469-W591 HydrophobicContact CG-CE3 3.73Å; L469-W591 HydrophobicContact CG-CZ3 4.11Å; L469-T592 WeakPolarHBondContact CA-O 3.46Å; L469-T592 WeakPolarHBondContact CD1-O 3.36Å; L469-I593 HydrophobicContact CB-CG1 4.36Å; L469-I593 HydrophobicContact CD1-CG1 3.72Å; L469-I593 HydrophobicContact CG-CG1 4.46Å
470R96.5Very high94.8Very high108 Ų10840.1 Ų40.141%0.40820%0.197SC..EExtended strand (participates in β ladder)trans-115.1151.7-172.1-63.1-176.3-179-160.22.1111.9E468 W591 T592E468-R470 IonicContact OE2-CZ 3.26Å; E468-R470 IonicContact OE2-NE 3.46Å; E468-R470 PolarHBondContact OE2-NE 3.25Å; E468-R470 IonicContact OE2-NH2 2.7Å; E468-R470 PolarHBondContact OE2-NH2 3.29Å; R470-W591 VanDerWaalsContact O-CA 3.29Å; R470-W591 WeakPolarHBondContact O-CA 3.43Å; R470-T592 PolarHBondContact N-O 2.03Å; R470-T592 PolarHBondContact O-N 2.76Å
471N96.6Very high94.8Very high6 Ų641.2 Ų41.23%0.03220%0.202CC..EExtended strand (participates in β ladder)trans-116.4142.1177.5-176.1-84.4000111.4K473 A474 V571 Q589 W591N471-K473 VanDerWaalsContact C-N 3.25Å; N471-K473 PolarHBondContact O-N 3.11Å; N471-K473 WeakPolarHBondContact OD1-CA 3.16Å; N471-K473 WeakPolarHBondContact OD1-CB 3.44Å; N471-K473 PolarHBondContact OD1-N 2.82Å; N471-A474 CarbonylContact O-C 3.44Å; N471-A474 PolarHBondContact O-N 3.35Å; N471-A474 VanDerWaalsContact O-N 3.08Å; N471-A474 VanDerWaalsContact O-O 3.06Å; N471-V571 HydrophobicContact CB-CG2 3.62Å; N471-Q589 PolarHBondContact ND2-OE1 2.82Å; N471-Q589 PolarHBondContact OD1-OE1 3.47Å; N471-W591 HydrophobicContact CB-CD2 4.02Å; N471-W591 HydrophobicContact CB-CE3 3.77Å; N471-W591 HydrophobicContact CB-CH2 3.77Å; N471-W591 HydrophobicContact CB-CZ2 4Å; N471-W591 HydrophobicContact CB-CZ3 3.66Å; N471-W591 WeakPolarHBondContact ND2-CZ2 2.73Å; N471-W591 PolarHBondContact ND2-NE1 3.41Å
472N94.8Very high94.7Very high68 Ų6838.1 Ų38.136%0.36419%0.19SC..THydrogen-bonded Turntrans-64.9-21.6-178.272.9-52.9000115.2R590N472-R590 HydrophobicContact CB-CB 4.29Å; N472-R590 PolarHBondContact N-O 2.93Å; N472-R590 PolarHBondContact OD1-N 2.75Å; N472-R590 PolarHBondContact OD1-O 3.03Å
473K92.3Very high94.5Very high121 Ų12139.5 Ų39.553%0.52620%0.201SC..THydrogen-bonded Turntrans-84.9-10.8175.1-67.5-166.6-178.3163.70113.5N471 T587 Q589N471-K473 VanDerWaalsContact C-N 3.25Å; N471-K473 PolarHBondContact O-N 3.11Å; N471-K473 WeakPolarHBondContact OD1-CA 3.16Å; N471-K473 WeakPolarHBondContact OD1-CB 3.44Å; N471-K473 PolarHBondContact OD1-N 2.82Å; K473-T587 PolarHBondContact NZ-OG1 3.25Å; K473-Q589 HydrophobicContact CD-CG 3.82Å; K473-Q589 HydrophobicContact CG-CG 4.16Å
474A89.3Confident94Very high8 Ų844.5 Ų44.57%0.06623%0.227CC..EExtended strand (participates in β ladder)trans-145.690.5-177.300000110N471 V477 V571 I579N471-A474 CarbonylContact O-C 3.44Å; N471-A474 PolarHBondContact O-N 3.35Å; N471-A474 VanDerWaalsContact O-N 3.08Å; N471-A474 VanDerWaalsContact O-O 3.06Å; A474-V477 HydrophobicContact CB-CG2 3.28Å; A474-V571 HydrophobicContact CB-CG1 4.05Å; A474-I579 HydrophobicContact CB-CD1 4.27Å; A474-I579 HydrophobicContact CB-CG2 4.49Å
475K85.5Confident93.7Very high157 Ų15750.1 Ų50.168%0.68325%0.25SC*.EExtended strand (participates in β ladder)trans-74.1-32.8-168.1-67.1-175.7179.6179.60114.1
476D90.5Very high93.4Very high135 Ų13554.7 Ų54.772%0.72227%0.274SS*.EExtended strand (participates in β ladder)trans-993.2-172.5-53.7-49.3000113.3P493 C494D476-P493 WeakPolarHBondContact O-CA 3.26Å; D476-C494 PolarHBondContact O-N 3.3Å; D476-C494 VanDerWaalsContact O-N 3.09Å
477V94.5Very high93.2Very high24 Ų2459.1 Ų59.115%0.14529%0.294CS..EExtended strand (participates in β ladder)trans-120.7144.2177.1-600000110.8A474 L491 Y492A474-V477 HydrophobicContact CB-CG2 3.28Å; V477-L491 HydrophobicContact CB-CB 4.32Å; V477-L491 HydrophobicContact CG2-CB 4.28Å; V477-L491 HydrophobicContact CG2-CD2 4.27Å; V477-Y492 CarbonylContact C-O 3.5Å; V477-Y492 VanDerWaalsContact CA-O 3.27Å; V477-Y492 WeakPolarHBondContact CA-O 3.42Å
478C96.4Very high93.1Very high0 Ų060 Ų600%030%0.3CS..EExtended strand (participates in β ladder)trans-121.8155.8-176.4-76.90000109.6D480 L491 Y492 C494C478-D480 PolarHBondContact O-N 3.36Å; C478-L491 WeakPolarHBondContact O-CA 3.26Å; C478-Y492 PolarHBondContact N-O 2.76Å; C478-Y492 PolarHBondContact O-N 2.84Å; C478-C494 HydrophobicContact CB-CB 4.04Å; C478-C494 WeakPolarHBondContact CB-SG 3.48Å; C478-C494 PolarHBondContact N-SG 2.93Å; C478-C494 WeakPolarHBondContact SG-CB 3.41Å; C478-C494 CovalentContact SG-SG 2.04Å; C478-C494 PolarHBondContact SG-SG 2.88Å
479L96.9Very high93.1Very high1 Ų159.6 Ų59.61%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-60.9128.8168-175.468.2000109.5L469 A489 L510 L512 L581L469-L479 HydrophobicContact CB-CB 4.02Å; L469-L479 HydrophobicContact CD2-CB 4.31Å; L469-L479 HydrophobicContact CD2-CD2 3.56Å; L469-L479 HydrophobicContact CG-CB 4.17Å; L469-L479 HydrophobicContact CG-CD2 4.34Å; L469-L479 PolarHBondContact O-N 2.92Å; L479-A489 HydrophobicContact CD1-CB 3.86Å; L479-L510 HydrophobicContact CD2-CD2 4.39Å; L479-L512 HydrophobicContact CD1-CD2 4.38Å; L479-L512 HydrophobicContact CD2-CD1 4.11Å; L479-L512 HydrophobicContact CD2-CD2 3.93Å; L479-L512 HydrophobicContact CG-CD1 4.16Å; L479-L512 HydrophobicContact CG-CD2 3.73Å; L479-L581 HydrophobicContact CD1-CD1 4.38Å; L479-L581 HydrophobicContact CD1-CD2 3.2Å; L479-L581 HydrophobicContact CD1-CG 4.42Å
480D96.5Very high93Very high9 Ų962.1 Ų62.15%0.04831%0.311CS..EExtended strand (participates in β ladder)trans-134143.9-175.2-163.2-67.8000111.3C478 G482 I490 H495 Q500 L512C478-D480 PolarHBondContact O-N 3.36Å; D480-G482 PolarHBondContact O-N 2.78Å; D480-G482 PolarHBondContact OD1-N 2.98Å; D480-I490 HydrophobicContact CB-CG1 4.03Å; D480-I490 PolarHBondContact N-O 3.42Å; D480-I490 PolarHBondContact O-N 3.25Å; D480-H495 IonicContact OD2-CE1 2.69Å; D480-H495 IonicContact OD2-NE2 3.89Å; D480-H495 PolarHBondContact OD2-NE2 2.91Å; D480-Q500 HydrophobicContact CB-CG 4.07Å; D480-Q500 WeakPolarHBondContact OD2-CG 3.46Å; D480-Q500 PolarHBondContact OD2-NE2 2.8Å; D480-L512 VanDerWaalsContact C-CD2 3.5Å
481Q95Very high93Very high28 Ų2858 Ų5813%0.13130%0.297CS..  trans-60.4-28.4176.8-177.9168.25.100112.9L484 P499 L512 G513 L538Q481-L484 HydrophobicContact CG-CD2 4.45Å; Q481-P499 HydrophobicContact CB-CB 4.19Å; Q481-P499 WeakPolarHBondContact CB-O 3.28Å; Q481-P499 PolarHBondContact N-O 2.83Å; Q481-L512 HydrophobicContact CB-CD2 4.43Å; Q481-L512 HydrophobicContact CB-CG 4.34Å; Q481-G513 VanDerWaalsContact OE1-CA 3.31Å; Q481-L538 HydrophobicContact CB-CD1 4.42Å; Q481-L538 HydrophobicContact CG-CD1 4.1Å; Q481-L538 WeakPolarHBondContact O-CD1 3.49Å
482G92.6Very high92.9Very high18 Ų1863.6 Ų63.619%0.18632%0.319CS..  trans61.5-167-175.300000113.1D480 L484D480-G482 PolarHBondContact O-N 2.78Å; D480-G482 PolarHBondContact OD1-N 2.98Å; G482-L484 PolarHBondContact O-N 2.8Å
483P91.5Very high92.9Very high71 Ų7164 Ų6446%0.46133%0.325SS..  trans-57.1129.6174.3-23.534.1000111.2E485 N486P483-E485 PolarHBondContact O-N 3.2Å; P483-E485 VanDerWaalsContact O-N 3.15Å; P483-N486 PolarHBondContact O-N 3.34Å; P483-N486 VanDerWaalsContact O-N 3.13Å
484L86.2Confident93Very high113 Ų11360 Ų6059%0.59231%0.312SS*.G310 helixtrans-54.9-38.1-175-73.9172.1000113Q481 G482 N486 R525Q481-L484 HydrophobicContact CG-CD2 4.45Å; G482-L484 PolarHBondContact O-N 2.8Å; L484-N486 VanDerWaalsContact C-N 3.32Å; L484-N486 PolarHBondContact O-N 3.01Å; L484-R525 PolarHBondContact O-NH1 2.96Å
485E89.5Confident93.2Very high170 Ų17062.3 Ų62.379%0.79432%0.321SS*.G310 helixtrans-68.6-25.4-176.3-55.5-172.8-170.300113.8P483 H487P483-E485 PolarHBondContact O-N 3.2Å; P483-E485 VanDerWaalsContact O-N 3.15Å; E485-H487 VanDerWaalsContact C-N 3.26Å; E485-H487 PolarHBondContact O-CD2 3Å; E485-H487 PolarHBondContact O-N 3.36Å
486N89.7Confident93.3Very high99 Ų9955.5 Ų55.553%0.52930%0.296SS..G310 helixtrans-77.8-13.4-175.6-71.1-4.6000113.1P483 L484 T488P483-N486 PolarHBondContact O-N 3.34Å; P483-N486 VanDerWaalsContact O-N 3.13Å; L484-N486 VanDerWaalsContact C-N 3.32Å; L484-N486 PolarHBondContact O-N 3.01Å; N486-T488 WeakPolarHBondContact O-CB 3.41Å; N486-T488 PolarHBondContact O-N 3.18Å; N486-T488 PolarHBondContact O-OG1 3.09Å
487H92.8Very high93.2Very high93 Ų9358.1 Ų58.143%0.43130%0.296SS..  trans47.529.9179.9-64.3-72.7000114.3E485 R525 Q537 L538E485-H487 VanDerWaalsContact C-N 3.26Å; E485-H487 PolarHBondContact O-CD2 3Å; E485-H487 PolarHBondContact O-N 3.36Å; H487-R525 PolarHBondContact ND1-NH1 3.21Å; H487-R525 VanDerWaalsContact ND1-NH1 3.17Å; H487-Q537 CarbonylContact O-C 3.54Å; H487-Q537 WeakPolarHBondContact O-CA 3.45Å; H487-L538 PolarHBondContact O-N 3.32Å
488T94.7Very high93Very high20 Ų2058.1 Ų58.112%0.12330%0.301CS..BIsolated β-bridgetrans-141.4129.9-171.9-60.10000108.1N486 L535 P536 Q537N486-T488 WeakPolarHBondContact O-CB 3.41Å; N486-T488 PolarHBondContact O-N 3.18Å; N486-T488 PolarHBondContact O-OG1 3.09Å; T488-L535 HydrophobicContact CG2-CB 3.55Å; T488-L535 HydrophobicContact CG2-CD1 4.1Å; T488-L535 HydrophobicContact CG2-CG 4.42Å; T488-P536 WeakPolarHBondContact CA-O 3.31Å; T488-P536 WeakPolarHBondContact CG2-O 3.48Å; T488-Q537 PolarHBondContact OG1-NE2 3.42Å
489A96.1Very high92.9Very high2 Ų260.7 Ų60.72%0.01732%0.317CS..  trans-73.1147.2176.200000110.3L479 L512 L527 P536 L538 L581L479-A489 HydrophobicContact CD1-CB 3.86Å; A489-L512 HydrophobicContact CB-CD2 4.03Å; A489-L527 HydrophobicContact CB-CD1 3.49Å; A489-L527 VanDerWaalsContact CB-CD1 3.49Å; A489-P536 HydrophobicContact CB-CG 4.29Å; A489-P536 PolarHBondContact N-O 3.37Å; A489-L538 HydrophobicContact CB-CD1 3.74Å; A489-L538 HydrophobicContact CB-CD2 4.19Å; A489-L538 HydrophobicContact CB-CG 3.81Å; A489-L581 HydrophobicContact CB-CD2 3.95Å
490I95.2Very high92.9Very high53 Ų5360.6 Ų60.627%0.27232%0.317SS..EExtended strand (participates in β ladder)trans-127.3175.7-178.967.6173.6000110.5D480D480-I490 HydrophobicContact CB-CG1 4.03Å; D480-I490 PolarHBondContact N-O 3.42Å; D480-I490 PolarHBondContact O-N 3.25Å
491L95.4Very high92.9Very high22 Ų2260.4 Ų60.412%0.11532%0.316CS..EExtended strand (participates in β ladder)trans-101.9138.2163.2-69.6162.4000108.5V477 C478 V571 I579 L581 W591V477-L491 HydrophobicContact CB-CB 4.32Å; V477-L491 HydrophobicContact CG2-CB 4.28Å; V477-L491 HydrophobicContact CG2-CD2 4.27Å; C478-L491 WeakPolarHBondContact O-CA 3.26Å; L491-V571 HydrophobicContact CD1-CB 4.37Å; L491-V571 HydrophobicContact CD1-CG1 3.8Å; L491-V571 HydrophobicContact CD1-CG2 3.88Å; L491-I579 HydrophobicContact CD1-CG2 3.67Å; L491-L581 HydrophobicContact CD1-CB 4.18Å; L491-L581 HydrophobicContact CD1-CD1 4.25Å; L491-L581 HydrophobicContact CD2-CD1 4.21Å; L491-L581 HydrophobicContact CG-CB 4.05Å; L491-L581 HydrophobicContact CG-CD1 4.13Å; L491-W591 HydrophobicContact CD2-CH2 4.42Å
492Y94.7Very high93Very high124 Ų12459 Ų5949%0.48631%0.31SS..EExtended strand (participates in β ladder)trans-143.7154.4178.6-160.3-107.3000110V477 C478 C494 H495V477-Y492 CarbonylContact C-O 3.5Å; V477-Y492 VanDerWaalsContact CA-O 3.27Å; V477-Y492 WeakPolarHBondContact CA-O 3.42Å; C478-Y492 PolarHBondContact N-O 2.76Å; C478-Y492 PolarHBondContact O-N 2.84Å; Y492-C494 PolarHBondContact O-N 2.89Å; Y492-H495 AromaticContact CD1-CD2 3.83Å
493P95Very high93.2Very high75 Ų7558.5 Ų58.549%0.48730%0.302SS..EExtended strand (participates in β ladder)trans-48.6133.3174.4-3137.2000112.1D476 H495 Q500D476-P493 WeakPolarHBondContact O-CA 3.26Å; P493-H495 PolarHBondContact O-CD2 2.81Å; P493-H495 VanDerWaalsContact O-CD2 3.3Å; P493-H495 PolarHBondContact O-N 2.87Å; P493-Q500 PolarHBondContact O-NE2 3.49Å
494C95Very high93.5Very high38 Ų3856.5 Ų56.526%0.25729%0.285SS..  trans-64.2118.8-177.1-64.30000110.9D476 C478 Y492D476-C494 PolarHBondContact O-N 3.3Å; D476-C494 VanDerWaalsContact O-N 3.09Å; C478-C494 HydrophobicContact CB-CB 4.04Å; C478-C494 WeakPolarHBondContact CB-SG 3.48Å; C478-C494 PolarHBondContact N-SG 2.93Å; C478-C494 WeakPolarHBondContact SG-CB 3.41Å; C478-C494 CovalentContact SG-SG 2.04Å; C478-C494 PolarHBondContact SG-SG 2.88Å; Y492-C494 PolarHBondContact O-N 2.89Å
495H93Very high94Very high56 Ų5651.1 Ų51.126%0.25926%0.257SS..  trans-127.3-13176.260.476000113D480 Y492 P493 W497 Q500D480-H495 IonicContact OD2-CE1 2.69Å; D480-H495 IonicContact OD2-NE2 3.89Å; D480-H495 PolarHBondContact OD2-NE2 2.91Å; Y492-H495 AromaticContact CD1-CD2 3.83Å; P493-H495 PolarHBondContact O-CD2 2.81Å; P493-H495 VanDerWaalsContact O-CD2 3.3Å; P493-H495 PolarHBondContact O-N 2.87Å; H495-W497 VanDerWaalsContact C-N 3.28Å; H495-W497 HydrophobicContact CB-CD2 4.45Å; H495-W497 VanDerWaalsContact ND1-CB 3.31Å; H495-W497 WeakPolarHBondContact ND1-CB 3.44Å; H495-W497 AromaticContact ND1-CD2 3.52Å; H495-W497 AromaticContact ND1-CE3 3.69Å; H495-W497 AromaticContact ND1-CG 3.35Å; H495-W497 PolarHBondContact ND1-N 3.12Å; H495-W497 VanDerWaalsContact ND1-N 3.14Å; H495-W497 PolarHBondContact O-N 3.03Å; H495-Q500 VanDerWaalsContact CD2-CD 3.47Å; H495-Q500 PolarHBondContact CD2-NE2 3.48Å; H495-Q500 VanDerWaalsContact NE2-CD 3.31Å; H495-Q500 PolarHBondContact NE2-NE2 3.27Å; H495-Q500 VanDerWaalsContact NE2-NE2 3.18Å
496G87.2Confident94.3Very high15 Ų1550.3 Ų50.316%0.15525%0.251CS..  trans72.213.7170.500000115.7N418N418-G496 PolarHBondContact ND2-O 3.4Å
497W89.9Confident94.6Very high189 Ų18949.1 Ų49.172%0.71624%0.242SC*.SBendtrans-86.5175.4176.1-53.5-23.1000111.5H495 P499 Q500H495-W497 VanDerWaalsContact C-N 3.28Å; H495-W497 HydrophobicContact CB-CD2 4.45Å; H495-W497 VanDerWaalsContact ND1-CB 3.31Å; H495-W497 WeakPolarHBondContact ND1-CB 3.44Å; H495-W497 AromaticContact ND1-CD2 3.52Å; H495-W497 AromaticContact ND1-CE3 3.69Å; H495-W497 AromaticContact ND1-CG 3.35Å; H495-W497 PolarHBondContact ND1-N 3.12Å; H495-W497 VanDerWaalsContact ND1-N 3.14Å; H495-W497 PolarHBondContact O-N 3.03Å; W497-P499 VanDerWaalsContact C-CD 3.43Å; W497-P499 VanDerWaalsContact C-N 3.33Å; W497-P499 VanDerWaalsContact O-N 3.09Å; W497-Q500 PolarHBondContact O-N 2.94Å
498G90.3Very high94.7Very high25 Ų2544.8 Ų44.826%0.25822%0.222SC..G310 helixtrans-42.4-45-175.900000116.2Q500 L501 G513 A514G498-Q500 PolarHBondContact O-N 3.33Å; G498-Q500 VanDerWaalsContact O-N 3.12Å; G498-L501 WeakPolarHBondContact O-CB 3.42Å; G498-L501 PolarHBondContact O-N 3.42Å; G498-G513 CarbonylContact O-C 3.54Å; G498-G513 VanDerWaalsContact O-CA 3.25Å; G498-G513 WeakPolarHBondContact O-CA 3.21Å; G498-A514 PolarHBondContact O-N 2.77Å
499P94.8Very high94.8Very high53 Ų5345.4 Ų45.434%0.34422%0.223SC..G310 helixtrans-58.7-22.8177.5-28.437.1000115.6Q481 W497Q481-P499 HydrophobicContact CB-CB 4.19Å; Q481-P499 WeakPolarHBondContact CB-O 3.28Å; Q481-P499 PolarHBondContact N-O 2.83Å; W497-P499 VanDerWaalsContact C-CD 3.43Å; W497-P499 VanDerWaalsContact C-N 3.33Å; W497-P499 VanDerWaalsContact O-N 3.09Å
500Q96Very high94.9Very high0 Ų045.4 Ų45.40%022%0.223CC..G310 helixtrans-104.48.1179.6-63.2-173.1-15.200113.1D480 P493 H495 W497 G498 A502D480-Q500 HydrophobicContact CB-CG 4.07Å; D480-Q500 WeakPolarHBondContact OD2-CG 3.46Å; D480-Q500 PolarHBondContact OD2-NE2 2.8Å; P493-Q500 PolarHBondContact O-NE2 3.49Å; H495-Q500 VanDerWaalsContact CD2-CD 3.47Å; H495-Q500 PolarHBondContact CD2-NE2 3.48Å; H495-Q500 VanDerWaalsContact NE2-CD 3.31Å; H495-Q500 PolarHBondContact NE2-NE2 3.27Å; H495-Q500 VanDerWaalsContact NE2-NE2 3.18Å; W497-Q500 PolarHBondContact O-N 2.94Å; G498-Q500 PolarHBondContact O-N 3.33Å; G498-Q500 VanDerWaalsContact O-N 3.12Å; Q500-A502 PolarHBondContact O-N 2.9Å
501L96.6Very high95Very high4 Ų443.6 Ų43.62%0.02121%0.214CC..  trans-76.992.7174.1-177.560.2000108.8I415 N418 Y466 G498 G513 L515I415-L501 HydrophobicContact CG2-CD1 4.47Å; I415-L501 HydrophobicContact CG2-CD2 4.43Å; I415-L501 WeakPolarHBondContact O-CD1 3.41Å; I415-L501 WeakPolarHBondContact O-CD2 3.47Å; N418-L501 HydrophobicContact CB-CD1 4.22Å; Y466-L501 HydrophobicContact CD2-CD1 4.44Å; G498-L501 WeakPolarHBondContact O-CB 3.42Å; G498-L501 PolarHBondContact O-N 3.42Å; L501-G513 PolarHBondContact O-N 3.41Å; L501-L515 HydrophobicContact CD2-CD2 4.23Å; L501-L515 HydrophobicContact CD2-CG 4.11Å
502A97.3Very high95Very high0 Ų042.5 Ų42.50%021%0.208CC..EExtended strand (participates in β ladder)trans-82.314717000000109.7Y466 G467 L469 Q500 H511 L512Y466-A502 CarbonylContact C-O 3.59Å; Y466-A502 WeakPolarHBondContact CA-O 3.45Å; G467-A502 PolarHBondContact N-O 3.09Å; G467-A502 WeakPolarHBondContact O-CB 3.37Å; G467-A502 PolarHBondContact O-N 3.3Å; L469-A502 HydrophobicContact CB-CB 3.77Å; L469-A502 HydrophobicContact CD2-CB 4.37Å; Q500-A502 PolarHBondContact O-N 2.9Å; A502-H511 CarbonylContact C-O 3.54Å; A502-H511 VanDerWaalsContact CA-O 3.31Å; A502-H511 WeakPolarHBondContact CA-O 3.44Å; A502-L512 HydrophobicContact CB-CD1 4.03Å
503R96.7Very high95Very high6 Ų636.7 Ų36.72%0.02319%0.185CC..EExtended strand (participates in β ladder)trans-141.4121.2177.5-166.8166.96274.36.5110.4Y460 T463 A465 H511Y460-R503 VanDerWaalsContact CD1-NH2 3.32Å; T463-R503 HydrophobicContact CG2-CG 3.42Å; T463-R503 VanDerWaalsContact CG2-CG 3.42Å; T463-R503 VanDerWaalsContact OG1-CD 3.26Å; T463-R503 WeakPolarHBondContact OG1-CD 3.34Å; T463-R503 PolarHBondContact OG1-NH1 3.48Å; T463-R503 VanDerWaalsContact OG1-NH1 3.08Å; A465-R503 WeakPolarHBondContact O-CA 3.13Å; R503-H511 HydrophobicContact CB-CB 4.22Å; R503-H511 PolarHBondContact N-O 3.23Å; R503-H511 PolarHBondContact O-N 3.15Å
504Y97.5Very high94.9Very high30 Ų3035.7 Ų35.712%0.11818%0.184CC..EExtended strand (participates in β ladder)trans-102.6130.2177.2-177.4-106.8000110.4V464 A465 F509 L510 W552 F554V464-Y504 HydrophobicContact CB-CD1 4.31Å; V464-Y504 PolarHBondContact N-O 2.98Å; A465-Y504 PolarHBondContact N-O 2.88Å; A465-Y504 PolarHBondContact O-N 3.32Å; Y504-F509 WeakPolarHBondContact CA-O 3.29Å; Y504-L510 HydrophobicContact CD2-CD1 4.4Å; Y504-W552 PolarHBondContact OH-O 2.97Å; Y504-F554 AromaticContact CD1-CD1 3.79Å; Y504-F554 HydrophobicContact CD1-CD1 3.79Å; Y504-F554 HydrophobicContact CD2-CB 4.1Å; Y504-F554 HydrophobicContact CD2-CD1 4.36Å; Y504-F554 HydrophobicContact CE1-CB 4.23Å; Y504-F554 HydrophobicContact CE1-CD1 4.08Å; Y504-F554 HydrophobicContact CE2-CB 3.73Å; Y504-F554 HydrophobicContact CG-CB 4.48Å; Y504-F554 AromaticContact CG-CD1 3.93Å; Y504-F554 HydrophobicContact CG-CD1 3.93Å
505T96.4Very high94.8Very high0 Ų034.4 Ų34.40%017%0.174CC..EExtended strand (participates in β ladder)trans-105.4164.2-174.780.10000113.3N462 E507 G508 F509N462-T505 CarbonylContact O-C 3.45Å; N462-T505 WeakPolarHBondContact O-CA 3.05Å; T505-E507 WeakPolarHBondContact CB-OE2 3.34Å; T505-E507 PolarHBondContact O-N 2.85Å; T505-E507 PolarHBondContact OG1-N 3.38Å; T505-E507 PolarHBondContact OG1-OE2 2.87Å; T505-G508 PolarHBondContact O-N 3Å; T505-F509 HydrophobicContact CG2-CB 4.33Å; T505-F509 PolarHBondContact N-O 2.89Å; T505-F509 PolarHBondContact OG1-N 2.9Å
506K96Very high94.7Very high152 Ų15232.1 Ų32.166%0.66117%0.165SC*.THydrogen-bonded Turntrans-56.9-32.2174.8-69.9178.9-175.81790112.9N462 V464 G508N462-K506 WeakPolarHBondContact O-CG 3.32Å; N462-K506 PolarHBondContact O-N 2.94Å; V464-K506 HydrophobicContact CG2-CB 4.33Å; V464-K506 HydrophobicContact CG2-CG 3.5Å; V464-K506 VanDerWaalsContact CG2-CG 3.5Å; K506-G508 PolarHBondContact O-N 3.47Å
507E95.1Very high94.7Very high75 Ų7532.8 Ų32.835%0.3517%0.167SC..THydrogen-bonded Turntrans-76.7-6.4178-54.674.8-160.600113N462 T505 F509N462-E507 PolarHBondContact ND2-OE1 3.32Å; N462-E507 PolarHBondContact ND2-OE2 3.42Å; T505-E507 WeakPolarHBondContact CB-OE2 3.34Å; T505-E507 PolarHBondContact O-N 2.85Å; T505-E507 PolarHBondContact OG1-N 3.38Å; T505-E507 PolarHBondContact OG1-OE2 2.87Å; E507-F509 HydrophobicContact CB-CD2 3.98Å; E507-F509 HydrophobicContact CB-CE1 4.35Å; E507-F509 HydrophobicContact CB-CE2 3.73Å; E507-F509 HydrophobicContact CB-CG 4.39Å; E507-F509 HydrophobicContact CB-CZ 3.93Å; E507-F509 HydrophobicContact CG-CE2 4.23Å
508G96.7Very high94.7Very high1 Ų124 Ų241%0.0113%0.134CC..  trans83.424.8-176.900000113.4T505 K506 R551 W552T505-G508 PolarHBondContact O-N 3Å; K506-G508 PolarHBondContact O-N 3.47Å; G508-R551 CarbonylContact O-C 3.53Å; G508-R551 WeakPolarHBondContact O-CA 3.41Å; G508-W552 PolarHBondContact O-N 2.89Å
509F97Very high94.6Very high33 Ų3326.7 Ų26.715%0.14515%0.146CC..BIsolated β-bridgetrans-88.4139.7174.5-54.5-34.2000110.2Y504 T505 E507 K550 R551Y504-F509 WeakPolarHBondContact CA-O 3.29Å; T505-F509 HydrophobicContact CG2-CB 4.33Å; T505-F509 PolarHBondContact N-O 2.89Å; T505-F509 PolarHBondContact OG1-N 2.9Å; E507-F509 HydrophobicContact CB-CD2 3.98Å; E507-F509 HydrophobicContact CB-CE1 4.35Å; E507-F509 HydrophobicContact CB-CE2 3.73Å; E507-F509 HydrophobicContact CB-CG 4.39Å; E507-F509 HydrophobicContact CB-CZ 3.93Å; E507-F509 HydrophobicContact CG-CE2 4.23Å; F509-K550 HydrophobicContact CD1-CD 4.37Å; F509-K550 HydrophobicContact CD1-CG 4.1Å; F509-K550 WeakPolarHBondContact CD1-O 3.15Å; F509-K550 HydrophobicContact CE1-CD 4.07Å; F509-K550 HydrophobicContact CE1-CG 3.88Å; F509-K550 HydrophobicContact CZ-CD 4.45Å; F509-R551 HydrophobicContact CD1-CG 3.99Å; F509-R551 HydrophobicContact CE1-CG 3.57Å
510L97.6Very high94.1Very high2 Ų230.4 Ų30.41%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-109.4106.1173.6-170.967.5000108.4L469 L479 Y504 C526 L527 W552 I593L469-L510 HydrophobicContact CD2-CD1 4.21Å; L469-L510 HydrophobicContact CD2-CD2 3.86Å; L479-L510 HydrophobicContact CD2-CD2 4.39Å; Y504-L510 HydrophobicContact CD2-CD1 4.4Å; L510-C526 CarbonylContact O-C 3.52Å; L510-C526 WeakPolarHBondContact O-CA 3.5Å; L510-L527 HydrophobicContact CB-CB 4.24Å; L510-L527 HydrophobicContact CD2-CB 4.31Å; L510-L527 HydrophobicContact CD2-CD2 3.72Å; L510-L527 HydrophobicContact CG-CB 4.49Å; L510-L527 PolarHBondContact O-N 2.94Å; L510-W552 HydrophobicContact CB-CG 4.44Å; L510-I593 HydrophobicContact CD1-CD1 4.22Å
511H96.7Very high93.6Very high15 Ų1534.5 Ų34.57%0.06918%0.183CC..EExtended strand (participates in β ladder)trans-92.7152.4176.2-64.9-112.7000110.3A502 R503 T524 R525 C541A502-H511 CarbonylContact C-O 3.54Å; A502-H511 VanDerWaalsContact CA-O 3.31Å; A502-H511 WeakPolarHBondContact CA-O 3.44Å; R503-H511 HydrophobicContact CB-CB 4.22Å; R503-H511 PolarHBondContact N-O 3.23Å; R503-H511 PolarHBondContact O-N 3.15Å; H511-T524 PolarHBondContact ND1-OG1 3.32Å; H511-R525 CarbonylContact C-O 3.56Å; H511-R525 WeakPolarHBondContact CA-O 3.33Å; H511-C541 PolarHBondContact CE1-SG 2.9Å
512L96.5Very high93.1Very high0 Ų039.6 Ų39.60%022%0.217CC..EExtended strand (participates in β ladder)trans-142.3131.7177.6-169.463.4000111L479 D480 Q481 A489 A502 R525 L538L479-L512 HydrophobicContact CD1-CD2 4.38Å; L479-L512 HydrophobicContact CD2-CD1 4.11Å; L479-L512 HydrophobicContact CD2-CD2 3.93Å; L479-L512 HydrophobicContact CG-CD1 4.16Å; L479-L512 HydrophobicContact CG-CD2 3.73Å; D480-L512 VanDerWaalsContact C-CD2 3.5Å; Q481-L512 HydrophobicContact CB-CD2 4.43Å; Q481-L512 HydrophobicContact CB-CG 4.34Å; A489-L512 HydrophobicContact CB-CD2 4.03Å; A502-L512 HydrophobicContact CB-CD1 4.03Å; L512-R525 PolarHBondContact N-O 2.96Å; L512-L538 HydrophobicContact CB-CD2 3.99Å; L512-L538 HydrophobicContact CD2-CD1 4.03Å; L512-L538 HydrophobicContact CD2-CD2 4.1Å
513G94.3Very high92.6Very high1 Ų141.8 Ų41.81%0.0123%0.228CC..SBendtrans122.3175.9177.800000113.5Q481 G498 L501 T524Q481-G513 VanDerWaalsContact OE1-CA 3.31Å; G498-G513 CarbonylContact O-C 3.54Å; G498-G513 VanDerWaalsContact O-CA 3.25Å; G498-G513 WeakPolarHBondContact O-CA 3.21Å; L501-G513 PolarHBondContact O-N 3.41Å; G513-T524 VanDerWaalsContact O-CG2 3.27Å; G513-T524 WeakPolarHBondContact O-CG2 3.24Å
514A91.7Very high92.4Very high55 Ų5542 Ų4246%0.45523%0.23SC..SBendtrans-63.1143.3175.200000111.1G498 G516 T524G498-A514 PolarHBondContact O-N 2.77Å; A514-G516 PolarHBondContact O-N 2.78Å; A514-T524 WeakPolarHBondContact O-CG2 3.46Å
515L93.1Very high92.3Very high11 Ų1141.8 Ų41.86%0.05823%0.229CC..PPolyproline II helixtrans-59.1135.1-178-62.5-174.6000111W297 I415 A416 Y460 L501W297-L515 HydrophobicContact CB-CD1 4.29Å; I415-L515 HydrophobicContact CB-CD1 4.3Å; I415-L515 HydrophobicContact CG2-CD1 3.91Å; I415-L515 HydrophobicContact CG2-CD2 4.08Å; I415-L515 HydrophobicContact CG2-CG 4.38Å; A416-L515 HydrophobicContact CB-CD1 3.86Å; Y460-L515 HydrophobicContact CD2-CD1 3.88Å; Y460-L515 HydrophobicContact CD2-CD2 4.28Å; Y460-L515 HydrophobicContact CE1-CD2 4.21Å; Y460-L515 HydrophobicContact CE2-CB 3.84Å; Y460-L515 HydrophobicContact CE2-CD1 3.71Å; Y460-L515 HydrophobicContact CE2-CD2 4Å; Y460-L515 HydrophobicContact CE2-CG 4.06Å; L501-L515 HydrophobicContact CD2-CD2 4.23Å; L501-L515 HydrophobicContact CD2-CG 4.11Å
516G90.9Very high92.2Very high7 Ų741.8 Ų41.87%0.07223%0.229CC..PPolyproline II helixtrans-60.1145.7166.100000111.3Y460 A514 D523Y460-G516 WeakPolarHBondContact OH-CA 3.22Å; Y460-G516 PolarHBondContact OH-N 3.18Å; Y460-G516 PolarHBondContact OH-O 3.44Å; A514-G516 PolarHBondContact O-N 2.78Å; G516-D523 PolarHBondContact N-OD1 2.69Å
517T88Confident92.3Very high29 Ų2934.6 Ų34.618%0.17820%0.198CC..  trans-85.1-59.4-176.954.40000111.4M302 R458 L521M302-T517 HydrophobicContact SD-CG2 4.05Å; R458-T517 PolarHBondContact N-O 3.02Å; T517-L521 WeakPolarHBondContact OG1-CD1 3.43Å
518T89.2Confident92.4Very high6 Ų631.1 Ų31.14%0.03718%0.182CC..BIsolated β-bridgetrans-117.8164.8-179.867.70000112M302 Y454 E456 R458 L520 L521M302-T518 HydrophobicContact CE-CG2 3.71Å; Y454-T518 HydrophobicContact CE2-CG2 4.38Å; E456-T518 CarbonylContact O-C 3.6Å; E456-T518 WeakPolarHBondContact O-CA 3.28Å; E456-T518 WeakPolarHBondContact O-CB 3.22Å; R458-T518 PolarHBondContact NE-O 3.21Å; R458-T518 PolarHBondContact NH2-O 2.87Å; T518-L520 PolarHBondContact O-N 3.03Å; T518-L520 PolarHBondContact OG1-N 3.34Å; T518-L521 PolarHBondContact O-N 3.01Å; T518-L521 VanDerWaalsContact O-O 3.12Å; T518-L521 PolarHBondContact OG1-N 2.95Å
519T87.5Confident92.4Very high81 Ų8131 Ų3150%0.49718%0.181SC..THydrogen-bonded Turntrans-69-18171.754.70000112.6E456 R458E456-T519 PolarHBondContact O-N 3.28Å; E456-T519 PolarHBondContact O-OG1 3.26Å; R458-T519 HydrophobicContact CB-CG2 4.48Å
520L84.4Confident92.2Very high130 Ų13031.8 Ų31.868%0.68119%0.186SC*.THydrogen-bonded Turntrans-82.7-19.2176.9-57.7176.9000113.1E456 T518E456-L520 HydrophobicContact CG-CD1 4.23Å; T518-L520 PolarHBondContact O-N 3.03Å; T518-L520 PolarHBondContact OG1-N 3.34Å
521L86Confident91.8Very high86 Ų8634.8 Ų34.845%0.4521%0.208SC..SBendtrans-105.6153.3178.8-66174.2000110.9M302 R458 T517 T518M302-L521 HydrophobicContact CE-CD1 4.48Å; R458-L521 PolarHBondContact NH2-O 3.08Å; T517-L521 WeakPolarHBondContact OG1-CD1 3.43Å; T518-L521 PolarHBondContact O-N 3.01Å; T518-L521 VanDerWaalsContact O-O 3.12Å; T518-L521 PolarHBondContact OG1-N 2.95Å
522P85.7Confident91.6Very high112 Ų11243 Ų4373%0.72724%0.243SC*.  trans-56.3145.9176.6-25.134.7000113.1
523D88.3Confident91.4Very high46 Ų4644.4 Ų44.425%0.24625%0.253CS..  trans-95.3178176.2-152-14.7000112.7R458 Y460 G516R458-D523 WeakPolarHBondContact CD-OD2 3.38Å; R458-D523 IonicContact CZ-OD2 3.42Å; R458-D523 IonicContact NE-OD2 3.43Å; R458-D523 IonicContact NH1-OD2 3.5Å; R458-D523 PolarHBondContact NH1-OD2 2.81Å; Y460-D523 PolarHBondContact OH-OD1 3.22Å; G516-D523 PolarHBondContact N-OD1 2.69Å
524T91.8Very high91.5Very high9 Ų950.3 Ų50.36%0.05528%0.275CS..  trans-43.7136.615453.30000112.9H511 G513 A514H511-T524 PolarHBondContact ND1-OG1 3.32Å; G513-T524 VanDerWaalsContact O-CG2 3.27Å; G513-T524 WeakPolarHBondContact O-CG2 3.24Å; A514-T524 WeakPolarHBondContact O-CG2 3.46Å
525R94.6Very high91.6Very high27 Ų2751.1 Ų51.110%0.10227%0.272CS..EExtended strand (participates in β ladder)trans-84.5149.2178.6-65.7-173.7-65-172.95.2110.6L484 H487 H511 L512 L538 L539L484-R525 PolarHBondContact O-NH1 2.96Å; H487-R525 PolarHBondContact ND1-NH1 3.21Å; H487-R525 VanDerWaalsContact ND1-NH1 3.17Å; H511-R525 CarbonylContact C-O 3.56Å; H511-R525 WeakPolarHBondContact CA-O 3.33Å; L512-R525 PolarHBondContact N-O 2.96Å; R525-L538 HydrophobicContact CB-CB 4.2Å; R525-L539 CarbonylContact C-O 3.58Å; R525-L539 WeakPolarHBondContact CA-O 3.49Å; R525-L539 WeakPolarHBondContact CB-O 3.39Å
526C95.6Very high91.8Very high0 Ų050.6 Ų50.60%027%0.269CS..EExtended strand (participates in β ladder)trans-85.9142.5173.5-78.50000110.7L510 V528 L538 L539 C541L510-C526 CarbonylContact O-C 3.52Å; L510-C526 WeakPolarHBondContact O-CA 3.5Å; C526-V528 HydrophobicContact CB-CG2 4.31Å; C526-L538 WeakPolarHBondContact O-CA 3.46Å; C526-L539 PolarHBondContact N-O 2.75Å; C526-L539 PolarHBondContact O-N 2.91Å; C526-C541 HydrophobicContact CB-CB 4.03Å; C526-C541 WeakPolarHBondContact CB-SG 3.34Å; C526-C541 PolarHBondContact N-SG 2.94Å; C526-C541 WeakPolarHBondContact SG-CB 3.23Å; C526-C541 CovalentContact SG-SG 2.03Å; C526-C541 PolarHBondContact SG-SG 3.36Å
527L97.3Very high92Very high0 Ų052 Ų520%027%0.274CS..EExtended strand (participates in β ladder)trans-72.5127.2164.2-157.475000109.4A489 L510 P536 Q537 L538 W552 L569A489-L527 HydrophobicContact CB-CD1 3.49Å; A489-L527 VanDerWaalsContact CB-CD1 3.49Å; L510-L527 HydrophobicContact CB-CB 4.24Å; L510-L527 HydrophobicContact CD2-CB 4.31Å; L510-L527 HydrophobicContact CD2-CD2 3.72Å; L510-L527 HydrophobicContact CG-CB 4.49Å; L510-L527 PolarHBondContact O-N 2.94Å; L527-P536 HydrophobicContact CD1-CB 3.75Å; L527-P536 HydrophobicContact CD1-CG 4.34Å; L527-P536 HydrophobicContact CD2-CB 4.27Å; L527-P536 HydrophobicContact CG-CB 4.02Å; L527-Q537 CarbonylContact C-O 3.49Å; L527-Q537 WeakPolarHBondContact CA-O 3.05Å; L527-L538 HydrophobicContact CD1-CD2 3.76Å; L527-L538 HydrophobicContact CD1-CG 4.33Å; L527-W552 HydrophobicContact CB-CZ2 4.42Å; L527-W552 HydrophobicContact CD2-CH2 4.36Å; L527-W552 HydrophobicContact CD2-CZ2 3.93Å; L527-W552 HydrophobicContact CG-CZ2 4.09Å; L527-W552 PolarHBondContact O-NE1 2.82Å; L527-L569 HydrophobicContact CD2-CD1 4.05Å; L527-L569 HydrophobicContact CD2-CD2 3.82Å
528V97.2Very high92.4Very high2 Ų250.7 Ų50.71%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-130.4134.9-172.1-177.80000110.6C526 Q537 L539 V544 Y549 K550C526-V528 HydrophobicContact CB-CG2 4.31Å; V528-Q537 HydrophobicContact CB-CB 4.34Å; V528-Q537 PolarHBondContact N-O 3.44Å; V528-Q537 PolarHBondContact O-N 3.23Å; V528-L539 HydrophobicContact CB-CD1 4.31Å; V528-L539 HydrophobicContact CG1-CD1 4.31Å; V528-L539 HydrophobicContact CG2-CB 4.16Å; V528-L539 HydrophobicContact CG2-CD1 4.28Å; V528-L539 HydrophobicContact CG2-CG 4.41Å; V528-V544 HydrophobicContact CG1-CG1 4.23Å; V528-V544 HydrophobicContact CG2-CG1 4.39Å; V528-V544 HydrophobicContact CG2-CG2 3.69Å; V528-Y549 WeakPolarHBondContact CA-O 3.43Å; V528-K550 HydrophobicContact CG2-CB 4.23Å
529D97Very high92.6Very high0 Ų053.2 Ų53.20%028%0.278CS..  trans-108.1110165.3-179-9.7000109.5S531 Y549 W552 N562 T565 R567 L583D529-S531 WeakPolarHBondContact OD1-CA 3.25Å; D529-S531 PolarHBondContact OD1-N 2.98Å; D529-Y549 PolarHBondContact N-O 2.87Å; D529-Y549 WeakPolarHBondContact O-CA 3.29Å; D529-Y549 WeakPolarHBondContact O-CB 3.32Å; D529-Y549 VanDerWaalsContact O-CD1 3.25Å; D529-Y549 WeakPolarHBondContact O-CD1 3.48Å; D529-Y549 VanDerWaalsContact O-CG 3.26Å; D529-W552 HydrophobicContact CB-CH2 4.02Å; D529-W552 HydrophobicContact CB-CZ2 4.19Å; D529-N562 HydrophobicContact CB-CB 4.09Å; D529-T565 HydrophobicContact CB-CG2 4.28Å; D529-T565 VanDerWaalsContact CG-CG2 3.49Å; D529-T565 WeakPolarHBondContact OD2-CB 3.39Å; D529-T565 WeakPolarHBondContact OD2-CG2 3.38Å; D529-T565 PolarHBondContact OD2-OG1 2.96Å; D529-R567 VanDerWaalsContact CG-NH2 3.32Å; D529-R567 IonicContact OD1-CZ 3.34Å; D529-R567 IonicContact OD1-NE 2.99Å; D529-R567 PolarHBondContact OD1-NE 3.46Å; D529-R567 IonicContact OD1-NH2 3.18Å; D529-R567 PolarHBondContact OD1-NH2 2.83Å; D529-R567 WeakPolarHBondContact OD2-CB 3.47Å; D529-R567 IonicContact OD2-CZ 2.77Å; D529-R567 IonicContact OD2-NE 3.96Å; D529-R567 PolarHBondContact OD2-NE 2.93Å; D529-R567 IonicContact OD2-NH2 2.75Å; D529-R567 PolarHBondContact OD2-NH2 2.88Å; D529-L583 HydrophobicContact CB-CD1 3.79Å
530N91.6Very high92.8Very high48 Ų4852.1 Ų52.126%0.25727%0.269SS..  trans-92.913.5178701.7000114.3K532 S533N530-K532 PolarHBondContact O-N 3.24Å; N530-K532 PolarHBondContact OD1-N 2.72Å; N530-S533 PolarHBondContact OD1-N 2.67Å
531S90.7Very high93.2Very high66 Ų6646.5 Ų46.546%0.46224%0.241SC..SBendtrans60.4-12.6-172.968.40000116.9D529D529-S531 WeakPolarHBondContact OD1-CA 3.25Å; D529-S531 PolarHBondContact OD1-N 2.98Å
532K91.9Very high93.4Very high187 Ų18748.9 Ų48.981%0.81325%0.254SS*.SBendtrans-96.8-43.6-174.9-63.2179.3-178.2-175.90112.2N530N530-K532 PolarHBondContact O-N 3.24Å; N530-K532 PolarHBondContact OD1-N 2.72Å
533S93.4Very high93.6Very high30 Ų3051.3 Ų51.321%0.2125%0.253CS..  trans-80.2142.7-179.5-1730000110.8N530 L535 Q537 R567N530-S533 PolarHBondContact OD1-N 2.67Å; S533-L535 VanDerWaalsContact C-N 3.28Å; S533-L535 WeakPolarHBondContact CB-O 3.12Å; S533-L535 PolarHBondContact OG-N 2.79Å; S533-L535 PolarHBondContact OG-O 2.81Å; S533-Q537 PolarHBondContact OG-NE2 2.9Å; S533-R567 PolarHBondContact O-NH1 2.83Å; S533-R567 PolarHBondContact O-NH2 2.94Å
534R95.1Very high93.8Very high125 Ų12549.8 Ų49.847%0.47225%0.246SC..SBendtrans-76-20.8166.2-172.6175.1178.1-163.9-2.4111.9E572 I582 L583R534-E572 IonicContact CZ-OE2 3.29Å; R534-E572 IonicContact NH2-OE1 3.34Å; R534-E572 PolarHBondContact NH2-OE1 2.96Å; R534-E572 IonicContact NH2-OE2 2.84Å; R534-E572 PolarHBondContact NH2-OE2 3.33Å; R534-I582 HydrophobicContact CG-CB 4.32Å; R534-I582 HydrophobicContact CG-CG2 4.35Å; R534-I582 CarbonylContact O-C 3.59Å; R534-I582 WeakPolarHBondContact O-CA 3.38Å; R534-L583 PolarHBondContact O-N 3.01Å
535L95.1Very high93.6Very high72 Ų7259.6 Ų59.638%0.37729%0.287SS..SBendtrans-103.1139.6-177-54.6176.9000110.9T488 S533 Q537 L581 I582T488-L535 HydrophobicContact CG2-CB 3.55Å; T488-L535 HydrophobicContact CG2-CD1 4.1Å; T488-L535 HydrophobicContact CG2-CG 4.42Å; S533-L535 VanDerWaalsContact C-N 3.28Å; S533-L535 WeakPolarHBondContact CB-O 3.12Å; S533-L535 PolarHBondContact OG-N 2.79Å; S533-L535 PolarHBondContact OG-O 2.81Å; L535-Q537 PolarHBondContact O-N 2.86Å; L535-Q537 PolarHBondContact O-NE2 3.05Å; L535-L581 WeakPolarHBondContact CD2-O 3.34Å; L535-I582 HydrophobicContact CD2-CG2 4.19Å
536P95.9Very high93.5Very high0 Ų060.1 Ų60.10%030%0.295CS..PPolyproline II helixtrans-70.4124.4179.631.3-35.8000111.4T488 A489 L527 L569 L581 L583T488-P536 WeakPolarHBondContact CA-O 3.31Å; T488-P536 WeakPolarHBondContact CG2-O 3.48Å; A489-P536 HydrophobicContact CB-CG 4.29Å; A489-P536 PolarHBondContact N-O 3.37Å; L527-P536 HydrophobicContact CD1-CB 3.75Å; L527-P536 HydrophobicContact CD1-CG 4.34Å; L527-P536 HydrophobicContact CD2-CB 4.27Å; L527-P536 HydrophobicContact CG-CB 4.02Å; P536-L569 HydrophobicContact CB-CD1 3.96Å; P536-L569 HydrophobicContact CG-CD1 3.83Å; P536-L581 WeakPolarHBondContact CD-O 3.49Å; P536-L581 HydrophobicContact CG-CD2 3.48Å; P536-L581 VanDerWaalsContact CG-CD2 3.48Å; P536-L581 HydrophobicContact CG-CG 3.8Å; P536-L583 HydrophobicContact CB-CD1 4.14Å; P536-L583 HydrophobicContact CB-CD2 4.17Å; P536-L583 HydrophobicContact CB-CG 4.11Å
537Q95.9Very high93.2Very high37 Ų3762 Ų6217%0.17331%0.308CS..EExtended strand (participates in β ladder)trans-83.9146.3-176.4-56.7-63.5-79.900110.5H487 T488 L527 V528 S533 L535 L539H487-Q537 CarbonylContact O-C 3.54Å; H487-Q537 WeakPolarHBondContact O-CA 3.45Å; T488-Q537 PolarHBondContact OG1-NE2 3.42Å; L527-Q537 CarbonylContact C-O 3.49Å; L527-Q537 WeakPolarHBondContact CA-O 3.05Å; V528-Q537 HydrophobicContact CB-CB 4.34Å; V528-Q537 PolarHBondContact N-O 3.44Å; V528-Q537 PolarHBondContact O-N 3.23Å; S533-Q537 PolarHBondContact OG-NE2 2.9Å; L535-Q537 PolarHBondContact O-N 2.86Å; L535-Q537 PolarHBondContact O-NE2 3.05Å; Q537-L539 HydrophobicContact CB-CD1 4.32Å; Q537-L539 HydrophobicContact CB-CG 4.15Å
538L95.5Very high93Very high0 Ų066.5 Ų66.50%033%0.332CS..EExtended strand (participates in β ladder)trans-111.5105.5171.3-74.5174.4000109.4Q481 H487 A489 L512 R525 C526 L527Q481-L538 HydrophobicContact CB-CD1 4.42Å; Q481-L538 HydrophobicContact CG-CD1 4.1Å; Q481-L538 WeakPolarHBondContact O-CD1 3.49Å; H487-L538 PolarHBondContact O-N 3.32Å; A489-L538 HydrophobicContact CB-CD1 3.74Å; A489-L538 HydrophobicContact CB-CD2 4.19Å; A489-L538 HydrophobicContact CB-CG 3.81Å; L512-L538 HydrophobicContact CB-CD2 3.99Å; L512-L538 HydrophobicContact CD2-CD1 4.03Å; L512-L538 HydrophobicContact CD2-CD2 4.1Å; R525-L538 HydrophobicContact CB-CB 4.2Å; C526-L538 WeakPolarHBondContact O-CA 3.46Å; L527-L538 HydrophobicContact CD1-CD2 3.76Å; L527-L538 HydrophobicContact CD1-CG 4.33Å
539L94.5Very high92.9Very high60 Ų6070.6 Ų70.631%0.31435%0.348SS..EExtended strand (participates in β ladder)trans-125.1154.7-174.6-58.2177000110.7R525 C526 V528 Q537 C541 V544R525-L539 CarbonylContact C-O 3.58Å; R525-L539 WeakPolarHBondContact CA-O 3.49Å; R525-L539 WeakPolarHBondContact CB-O 3.39Å; C526-L539 PolarHBondContact N-O 2.75Å; C526-L539 PolarHBondContact O-N 2.91Å; V528-L539 HydrophobicContact CB-CD1 4.31Å; V528-L539 HydrophobicContact CG1-CD1 4.31Å; V528-L539 HydrophobicContact CG2-CB 4.16Å; V528-L539 HydrophobicContact CG2-CD1 4.28Å; V528-L539 HydrophobicContact CG2-CG 4.41Å; Q537-L539 HydrophobicContact CB-CD1 4.32Å; Q537-L539 HydrophobicContact CB-CG 4.15Å; L539-C541 PolarHBondContact O-N 2.98Å; L539-V544 HydrophobicContact CB-CG2 3.82Å; L539-V544 HydrophobicContact CD1-CG2 4.16Å
540D92.2Very high92.8Very high57 Ų5771.8 Ų71.831%0.30535%0.353SS..  trans-55.4120.5166.5-179.8-21.5000109.4D542 K543 V544D540-D542 PolarHBondContact O-N 2.92Å; D540-D542 PolarHBondContact OD1-N 2.7Å; D540-K543 HydrophobicContact CB-CB 4.13Å; D540-K543 HydrophobicContact CB-CD 3.86Å; D540-K543 HydrophobicContact CB-CG 3.98Å; D540-K543 PolarHBondContact O-N 2.82Å; D540-K543 VanDerWaalsContact O-N 3.11Å; D540-K543 WeakPolarHBondContact OD2-CD 3.45Å; D540-K543 WeakPolarHBondContact OD2-CE 3.36Å; D540-K543 IonicContact OD2-NZ 2.93Å; D540-K543 PolarHBondContact OD2-NZ 3.19Å; D540-V544 WeakPolarHBondContact O-CG2 3.47Å; D540-V544 PolarHBondContact O-N 2.7Å
541C91.6Very high93.1Very high13 Ų1374 Ų749%0.08836%0.358CS..G310 helixtrans-56.5-37.3-173.5-600000112.3H511 C526 L539 K543 V544 K550H511-C541 PolarHBondContact CE1-SG 2.9Å; C526-C541 HydrophobicContact CB-CB 4.03Å; C526-C541 WeakPolarHBondContact CB-SG 3.34Å; C526-C541 PolarHBondContact N-SG 2.94Å; C526-C541 WeakPolarHBondContact SG-CB 3.23Å; C526-C541 CovalentContact SG-SG 2.03Å; C526-C541 PolarHBondContact SG-SG 3.36Å; L539-C541 PolarHBondContact O-N 2.98Å; C541-K543 VanDerWaalsContact C-N 3.33Å; C541-V544 PolarHBondContact O-N 3.05Å; C541-K550 PolarHBondContact O-NZ 3.47Å
542D89.9Confident93.5Very high136 Ų13671 Ų7173%0.72734%0.336SS*.G310 helixtrans-77.4-24.5-175.4-64.8-28.2000111.7D540 V544D540-D542 PolarHBondContact O-N 2.92Å; D540-D542 PolarHBondContact OD1-N 2.7Å; D542-V544 VanDerWaalsContact C-N 3.33Å
543K90.7Very high93.7Very high162 Ų16265.2 Ų65.270%0.70432%0.315SS*.G310 helixtrans-81.7-12176.8-62.5-178.2-175.1157.60113.3D540 C541 K545D540-K543 HydrophobicContact CB-CB 4.13Å; D540-K543 HydrophobicContact CB-CD 3.86Å; D540-K543 HydrophobicContact CB-CG 3.98Å; D540-K543 PolarHBondContact O-N 2.82Å; D540-K543 VanDerWaalsContact O-N 3.11Å; D540-K543 WeakPolarHBondContact OD2-CD 3.45Å; D540-K543 WeakPolarHBondContact OD2-CE 3.36Å; D540-K543 IonicContact OD2-NZ 2.93Å; D540-K543 PolarHBondContact OD2-NZ 3.19Å; C541-K543 VanDerWaalsContact C-N 3.33Å; K543-K545 PolarHBondContact O-N 3.43Å
544V92.2Very high93.8Very high15 Ų1564.8 Ų64.89%0.09131%0.309CS..  trans-81.7101.2177.2-178.90000109.7V528 L539 D540 C541 D542 S546 K550V528-V544 HydrophobicContact CG1-CG1 4.23Å; V528-V544 HydrophobicContact CG2-CG1 4.39Å; V528-V544 HydrophobicContact CG2-CG2 3.69Å; L539-V544 HydrophobicContact CB-CG2 3.82Å; L539-V544 HydrophobicContact CD1-CG2 4.16Å; D540-V544 WeakPolarHBondContact O-CG2 3.47Å; D540-V544 PolarHBondContact O-N 2.7Å; C541-V544 PolarHBondContact O-N 3.05Å; D542-V544 VanDerWaalsContact C-N 3.33Å; V544-S546 WeakPolarHBondContact CG1-O 3.32Å; V544-S546 PolarHBondContact O-N 2.76Å; V544-K550 HydrophobicContact CB-CD 4.1Å; V544-K550 HydrophobicContact CG1-CB 4.26Å; V544-K550 HydrophobicContact CG1-CD 4.18Å; V544-K550 HydrophobicContact CG1-CG 4.25Å
545K88.6Confident93.8Very high214 Ų21464.6 Ų64.693%0.9332%0.316SS*.  trans-57.9-45.8-176.8-64.8-175.2177.6-176.70113.8K543K543-K545 PolarHBondContact O-N 3.43Å
546S90.8Very high93.8Very high38 Ų3864.8 Ų64.827%0.26632%0.315SS..  trans-89.7113.6-179.1178.10000110.6V544 L548 Y549V544-S546 WeakPolarHBondContact CG1-O 3.32Å; V544-S546 PolarHBondContact O-N 2.76Å; S546-L548 PolarHBondContact O-N 2.57Å; S546-L548 PolarHBondContact OG-N 2.61Å; S546-Y549 VanDerWaalsContact CB-CD2 3.49Å; S546-Y549 PolarHBondContact O-N 3.2Å
547S91.3Very high93.8Very high39 Ų3969.6 Ų69.627%0.27334%0.341SS..Hα-helixtrans-59-33174.3-166.20000112.2Y549 K550 R551S547-Y549 VanDerWaalsContact C-N 3.26Å; S547-Y549 PolarHBondContact O-N 2.5Å; S547-K550 WeakPolarHBondContact O-CG 3.48Å; S547-K550 PolarHBondContact O-N 2.86Å; S547-R551 VanDerWaalsContact O-CG 3.31Å; S547-R551 WeakPolarHBondContact O-CG 3.49Å; S547-R551 PolarHBondContact O-N 2.86Å; S547-R551 VanDerWaalsContact O-N 3.12Å; S547-R551 PolarHBondContact OG-NE 3.48Å
548L92.6Very high93.8Very high95 Ų9568.4 Ų68.450%0.49734%0.338SS..Hα-helixtrans-60.8-33.4179.1-70.5175.6000113S546 K550 N562 G564S546-L548 PolarHBondContact O-N 2.57Å; S546-L548 PolarHBondContact OG-N 2.61Å; L548-K550 VanDerWaalsContact C-N 3.33Å; L548-K550 PolarHBondContact O-N 2.87Å; L548-N562 PolarHBondContact O-OD1 2.77Å; L548-G564 PolarHBondContact O-N 3.48Å
549Y94.5Very high93.9Very high88 Ų8870.1 Ų70.135%0.34535%0.352SS..Hα-helixtrans-73.2-23.5179.8-65.2-20.3000113.7V528 D529 S546 S547 N562 T565V528-Y549 WeakPolarHBondContact CA-O 3.43Å; D529-Y549 PolarHBondContact N-O 2.87Å; D529-Y549 WeakPolarHBondContact O-CA 3.29Å; D529-Y549 WeakPolarHBondContact O-CB 3.32Å; D529-Y549 VanDerWaalsContact O-CD1 3.25Å; D529-Y549 WeakPolarHBondContact O-CD1 3.48Å; D529-Y549 VanDerWaalsContact O-CG 3.26Å; S546-Y549 VanDerWaalsContact CB-CD2 3.49Å; S546-Y549 PolarHBondContact O-N 3.2Å; S547-Y549 VanDerWaalsContact C-N 3.26Å; S547-Y549 PolarHBondContact O-N 2.5Å; Y549-N562 PolarHBondContact O-ND2 3.14Å; Y549-T565 HydrophobicContact CD1-CG2 4.43Å
550K95.7Very high94Very high25 Ų2567.3 Ų67.311%0.10934%0.338CS..Hα-helixtrans-105-3.5179.659.9176.3172.5-171.90114.2F509 V528 C541 V544 S547 L548 W552F509-K550 HydrophobicContact CD1-CD 4.37Å; F509-K550 HydrophobicContact CD1-CG 4.1Å; F509-K550 WeakPolarHBondContact CD1-O 3.15Å; F509-K550 HydrophobicContact CE1-CD 4.07Å; F509-K550 HydrophobicContact CE1-CG 3.88Å; F509-K550 HydrophobicContact CZ-CD 4.45Å; V528-K550 HydrophobicContact CG2-CB 4.23Å; C541-K550 PolarHBondContact O-NZ 3.47Å; V544-K550 HydrophobicContact CB-CD 4.1Å; V544-K550 HydrophobicContact CG1-CB 4.26Å; V544-K550 HydrophobicContact CG1-CD 4.18Å; V544-K550 HydrophobicContact CG1-CG 4.25Å; S547-K550 WeakPolarHBondContact O-CG 3.48Å; S547-K550 PolarHBondContact O-N 2.86Å; L548-K550 VanDerWaalsContact C-N 3.33Å; L548-K550 PolarHBondContact O-N 2.87Å; K550-W552 VanDerWaalsContact O-CD1 3.25Å
551R97.6Very high94.3Very high96 Ų9667.9 Ų67.936%0.36234%0.339SS..BIsolated β-bridgetrans-91.9132.1178-77-178.2178.1-179.61.4111.6G508 F509 S547 N562 K563G508-R551 CarbonylContact O-C 3.53Å; G508-R551 WeakPolarHBondContact O-CA 3.41Å; F509-R551 HydrophobicContact CD1-CG 3.99Å; F509-R551 HydrophobicContact CE1-CG 3.57Å; S547-R551 VanDerWaalsContact O-CG 3.31Å; S547-R551 WeakPolarHBondContact O-CG 3.49Å; S547-R551 PolarHBondContact O-N 2.86Å; S547-R551 VanDerWaalsContact O-N 3.12Å; S547-R551 PolarHBondContact OG-NE 3.48Å; R551-N562 PolarHBondContact O-ND2 3.31Å; R551-K563 HydrophobicContact CB-CB 4.05Å; R551-K563 HydrophobicContact CB-CD 4.04Å; R551-K563 HydrophobicContact CB-CG 4.2Å; R551-K563 PolarHBondContact O-N 2.57Å
552W97.9Very high94.6Very high1 Ų167.3 Ų67.30%0.00434%0.335CS..EExtended strand (participates in β ladder)trans-123.3142.2-179.4-59.888.6000110Y504 G508 L510 L527 D529 K550 I560 M561 N562 L569 L583Y504-W552 PolarHBondContact OH-O 2.97Å; G508-W552 PolarHBondContact O-N 2.89Å; L510-W552 HydrophobicContact CB-CG 4.44Å; L527-W552 HydrophobicContact CB-CZ2 4.42Å; L527-W552 HydrophobicContact CD2-CH2 4.36Å; L527-W552 HydrophobicContact CD2-CZ2 3.93Å; L527-W552 HydrophobicContact CG-CZ2 4.09Å; L527-W552 PolarHBondContact O-NE1 2.82Å; D529-W552 HydrophobicContact CB-CH2 4.02Å; D529-W552 HydrophobicContact CB-CZ2 4.19Å; K550-W552 VanDerWaalsContact O-CD1 3.25Å; W552-I560 HydrophobicContact CB-CG2 4.35Å; W552-I560 HydrophobicContact CD2-CG2 4.02Å; W552-I560 HydrophobicContact CE3-CG2 3.43Å; W552-I560 VanDerWaalsContact CE3-CG2 3.43Å; W552-I560 HydrophobicContact CG-CG2 4.41Å; W552-I560 HydrophobicContact CZ3-CG2 4.07Å; W552-M561 CarbonylContact C-O 3.53Å; W552-M561 WeakPolarHBondContact CA-O 3.49Å; W552-N562 HydrophobicContact CD2-CB 4.38Å; W552-N562 HydrophobicContact CE3-CB 3.85Å; W552-N562 VanDerWaalsContact CE3-N 3.34Å; W552-N562 HydrophobicContact CH2-CB 3.95Å; W552-N562 HydrophobicContact CZ2-CB 4.46Å; W552-N562 HydrophobicContact CZ3-CB 3.63Å; W552-L569 HydrophobicContact CZ3-CB 4.35Å; W552-L583 HydrophobicContact CH2-CD2 3.62Å; W552-L583 HydrophobicContact CZ3-CD2 4.23Å
553N97Very high94.9Very high67 Ų6765.7 Ų65.736%0.35832%0.322SS..EExtended strand (participates in β ladder)trans-88.9120.1160.8-78.5-31.1000107.6I560 M561 K563N553-I560 WeakPolarHBondContact O-CA 3.24Å; N553-M561 PolarHBondContact N-O 3.03Å; N553-M561 PolarHBondContact O-N 2.76Å; N553-K563 WeakPolarHBondContact OD1-CE 3.31Å
554F96Very high95Very high21 Ų2159.7 Ų59.79%0.09231%0.306CS..  trans-133.7136174.6168.2-109.8000110.1A465 Y504 Q556 I560 W591 I593A465-F554 HydrophobicContact CB-CE1 4.39Å; Y504-F554 AromaticContact CD1-CD1 3.79Å; Y504-F554 HydrophobicContact CD1-CD1 3.79Å; Y504-F554 HydrophobicContact CD2-CB 4.1Å; Y504-F554 HydrophobicContact CD2-CD1 4.36Å; Y504-F554 HydrophobicContact CE1-CB 4.23Å; Y504-F554 HydrophobicContact CE1-CD1 4.08Å; Y504-F554 HydrophobicContact CE2-CB 3.73Å; Y504-F554 HydrophobicContact CG-CB 4.48Å; Y504-F554 AromaticContact CG-CD1 3.93Å; Y504-F554 HydrophobicContact CG-CD1 3.93Å; F554-Q556 HydrophobicContact CZ-CG 4.33Å; F554-I560 HydrophobicContact CB-CG1 4.31Å; F554-I560 HydrophobicContact CD2-CD1 3.93Å; F554-I560 HydrophobicContact CD2-CG1 3.53Å; F554-I560 HydrophobicContact CE2-CD1 4.36Å; F554-I560 HydrophobicContact CE2-CG1 4.31Å; F554-I560 HydrophobicContact CG-CG1 4.3Å; F554-W591 HydrophobicContact CE2-CB 4.38Å; F554-I593 HydrophobicContact CD1-CD1 4.07Å; F554-I593 HydrophobicContact CE1-CB 4.32Å; F554-I593 HydrophobicContact CE1-CD1 3.59Å; F554-I593 HydrophobicContact CE1-CG1 3.93Å; F554-I593 HydrophobicContact CE2-CD1 4.48Å; F554-I593 HydrophobicContact CE2-CG1 4.29Å; F554-I593 HydrophobicContact CZ-CB 4.05Å; F554-I593 HydrophobicContact CZ-CD1 3.81Å; F554-I593 HydrophobicContact CZ-CG1 3.64Å
555I94.1Very high95.2Very high121 Ų12160.8 Ų60.862%0.62131%0.313SS*.  trans-133.1148.116562176.7000107.5N557 G558I555-N557 PolarHBondContact O-N 3.35Å; I555-G558 PolarHBondContact O-N 2.85Å
556Q95Very high95.5Very high76 Ų7652.5 Ų52.536%0.35529%0.288SS..THydrogen-bonded Turntrans-57.3135.1176.9-70.5-69.52.700110.5F554 G558 I593F554-Q556 HydrophobicContact CZ-CG 4.33Å; Q556-G558 PolarHBondContact O-N 3.08Å; Q556-I593 PolarHBondContact NE2-O 3.02Å; Q556-I593 VanDerWaalsContact OE1-N 3.15Å
557N95.5Very high95.9Very high101 Ų10153 Ų5354%0.5428%0.284SS..THydrogen-bonded Turntrans58.822.9-175.6-60-34.4000114.6I555 R590 W591 T592I555-N557 PolarHBondContact O-N 3.35Å; N557-R590 WeakPolarHBondContact O-CB 3.42Å; N557-R590 WeakPolarHBondContact O-CD 3.49Å; N557-R590 WeakPolarHBondContact O-CG 3.19Å; N557-W591 WeakPolarHBondContact CA-O 3.17Å; N557-W591 PolarHBondContact N-O 2.85Å; N557-T592 PolarHBondContact OD1-OG1 3.23Å
558G96.7Very high96.2Very high11 Ų1151.1 Ų51.111%0.11327%0.271CS..BIsolated β-bridgetrans-116.1-175.8173.800000112.9I555 Q556 R590 W591I555-G558 PolarHBondContact O-N 2.85Å; Q556-G558 PolarHBondContact O-N 3.08Å; G558-R590 CarbonylContact O-C 3.56Å; G558-R590 WeakPolarHBondContact O-CA 3.05Å; G558-W591 PolarHBondContact O-N 3.2Å
559A97.1Very high96.4Very high36 Ų3646.6 Ų46.630%0.29825%0.247SC..  trans-75.4152.5173.800000111.3
560I97.8Very high96.6Very high2 Ų242.4 Ų42.41%0.0123%0.231CC..  trans-101.1103.7168.1-70.9174.9000107L469 W552 N553 F554 C568 L569 W591L469-I560 HydrophobicContact CD1-CD1 3.81Å; L469-I560 HydrophobicContact CD2-CD1 3.79Å; L469-I560 HydrophobicContact CG-CD1 4.41Å; W552-I560 HydrophobicContact CB-CG2 4.35Å; W552-I560 HydrophobicContact CD2-CG2 4.02Å; W552-I560 HydrophobicContact CE3-CG2 3.43Å; W552-I560 VanDerWaalsContact CE3-CG2 3.43Å; W552-I560 HydrophobicContact CG-CG2 4.41Å; W552-I560 HydrophobicContact CZ3-CG2 4.07Å; N553-I560 WeakPolarHBondContact O-CA 3.24Å; F554-I560 HydrophobicContact CB-CG1 4.31Å; F554-I560 HydrophobicContact CD2-CD1 3.93Å; F554-I560 HydrophobicContact CD2-CG1 3.53Å; F554-I560 HydrophobicContact CE2-CD1 4.36Å; F554-I560 HydrophobicContact CE2-CG1 4.31Å; F554-I560 HydrophobicContact CG-CG1 4.3Å; I560-C568 CarbonylContact O-C 3.6Å; I560-C568 VanDerWaalsContact O-CA 3.23Å; I560-C568 WeakPolarHBondContact O-CA 3.4Å; I560-L569 HydrophobicContact CB-CB 4.12Å; I560-L569 HydrophobicContact CG2-CB 4Å; I560-L569 HydrophobicContact CG2-CD2 4.41Å; I560-L569 PolarHBondContact O-N 3.09Å; I560-W591 HydrophobicContact CB-CG 4.48Å; I560-W591 HydrophobicContact CD1-CB 3.59Å; I560-W591 HydrophobicContact CD1-CD2 4.02Å; I560-W591 HydrophobicContact CD1-CG 3.62Å; I560-W591 HydrophobicContact CG1-CB 3.86Å; I560-W591 HydrophobicContact CG1-CG 3.9Å
561M97.9Very high96.6Very high69 Ų6941.5 Ų41.534%0.3423%0.227SC..EExtended strand (participates in β ladder)trans-113.5128.6-174.1-174.8175.162.800111.1W552 N553 K563W552-M561 CarbonylContact C-O 3.53Å; W552-M561 WeakPolarHBondContact CA-O 3.49Å; N553-M561 PolarHBondContact N-O 3.03Å; N553-M561 PolarHBondContact O-N 2.76Å; M561-K563 PolarHBondContact O-N 2.77Å
562N97.9Very high96.4Very high0 Ų038.4 Ų38.40%022%0.217CC..EExtended strand (participates in β ladder)trans-69.4130.5175.7-172.4-90000110.5D529 L548 Y549 R551 W552 G564 T565 G566 R567D529-N562 HydrophobicContact CB-CB 4.09Å; L548-N562 PolarHBondContact O-OD1 2.77Å; Y549-N562 PolarHBondContact O-ND2 3.14Å; R551-N562 PolarHBondContact O-ND2 3.31Å; W552-N562 HydrophobicContact CD2-CB 4.38Å; W552-N562 HydrophobicContact CE3-CB 3.85Å; W552-N562 VanDerWaalsContact CE3-N 3.34Å; W552-N562 HydrophobicContact CH2-CB 3.95Å; W552-N562 HydrophobicContact CZ2-CB 4.46Å; W552-N562 HydrophobicContact CZ3-CB 3.63Å; N562-G564 VanDerWaalsContact C-N 3.3Å; N562-G564 PolarHBondContact O-N 3.05Å; N562-G564 WeakPolarHBondContact OD1-CA 3.4Å; N562-G564 PolarHBondContact OD1-N 2.66Å; N562-T565 WeakPolarHBondContact CB-OG1 3.4Å; N562-T565 PolarHBondContact OD1-N 3.3Å; N562-T565 PolarHBondContact OD1-OG1 2.84Å; N562-G566 WeakPolarHBondContact O-CA 3.4Å; N562-G566 PolarHBondContact O-N 3.05Å; N562-R567 PolarHBondContact N-O 3.31Å
563K95.3Very high96Very high102 Ų10244 Ų4444%0.44325%0.247SC..THydrogen-bonded Turntrans-68.4-28.2-178.7-73.5-166.4175.2173.60113.2R551 N553 M561R551-K563 HydrophobicContact CB-CB 4.05Å; R551-K563 HydrophobicContact CB-CD 4.04Å; R551-K563 HydrophobicContact CB-CG 4.2Å; R551-K563 PolarHBondContact O-N 2.57Å; N553-K563 WeakPolarHBondContact OD1-CE 3.31Å; M561-K563 PolarHBondContact O-N 2.77Å
564G93.8Very high95.5Very high36 Ų3646.1 Ų46.137%0.37125%0.25SC..THydrogen-bonded Turntrans-83.6-44-177.700000114L548 N562L548-G564 PolarHBondContact O-N 3.48Å; N562-G564 VanDerWaalsContact C-N 3.3Å; N562-G564 PolarHBondContact O-N 3.05Å; N562-G564 WeakPolarHBondContact OD1-CA 3.4Å; N562-G564 PolarHBondContact OD1-N 2.66Å
565T95.6Very high94.8Very high39 Ų3947.6 Ų47.624%0.23927%0.272CS..THydrogen-bonded Turntrans-100.8-16.5-172.966.70000113.6D529 Y549 N562 R567D529-T565 HydrophobicContact CB-CG2 4.28Å; D529-T565 VanDerWaalsContact CG-CG2 3.49Å; D529-T565 WeakPolarHBondContact OD2-CB 3.39Å; D529-T565 WeakPolarHBondContact OD2-CG2 3.38Å; D529-T565 PolarHBondContact OD2-OG1 2.96Å; Y549-T565 HydrophobicContact CD1-CG2 4.43Å; N562-T565 WeakPolarHBondContact CB-OG1 3.4Å; N562-T565 PolarHBondContact OD1-N 3.3Å; N562-T565 PolarHBondContact OD1-OG1 2.84Å; T565-R567 PolarHBondContact O-N 2.88Å; T565-R567 PolarHBondContact OG1-N 2.95Å
566G96.1Very high94Very high40 Ų4051 Ų5141%0.41229%0.29SS..  trans692.9-17200000114.3N562N562-G566 WeakPolarHBondContact O-CA 3.4Å; N562-G566 PolarHBondContact O-N 3.05Å
567R97.7Very high93.1Very high47 Ų4751 Ų5118%0.17730%0.303CS..PPolyproline II helixtrans-79.6145.7176.5-57.4-165.9-64.2171.5-11.9110.6D529 S533 N562 T565 L583 R584D529-R567 VanDerWaalsContact CG-NH2 3.32Å; D529-R567 IonicContact OD1-CZ 3.34Å; D529-R567 IonicContact OD1-NE 2.99Å; D529-R567 PolarHBondContact OD1-NE 3.46Å; D529-R567 IonicContact OD1-NH2 3.18Å; D529-R567 PolarHBondContact OD1-NH2 2.83Å; D529-R567 WeakPolarHBondContact OD2-CB 3.47Å; D529-R567 IonicContact OD2-CZ 2.77Å; D529-R567 IonicContact OD2-NE 3.96Å; D529-R567 PolarHBondContact OD2-NE 2.93Å; D529-R567 IonicContact OD2-NH2 2.75Å; D529-R567 PolarHBondContact OD2-NH2 2.88Å; S533-R567 PolarHBondContact O-NH1 2.83Å; S533-R567 PolarHBondContact O-NH2 2.94Å; N562-R567 PolarHBondContact N-O 3.31Å; T565-R567 PolarHBondContact O-N 2.88Å; T565-R567 PolarHBondContact OG1-N 2.95Å; R567-L583 PolarHBondContact NH1-O 3.26Å; R567-R584 CarbonylContact C-O 3.57Å
568C98.1Very high92.5Very high0 Ų047.7 Ų47.70%029%0.292CS..EExtended strand (participates in β ladder)trans-95146.4173.5-84.20000112.1I560 E570 L583 R584 C586I560-C568 CarbonylContact O-C 3.6Å; I560-C568 VanDerWaalsContact O-CA 3.23Å; I560-C568 WeakPolarHBondContact O-CA 3.4Å; C568-E570 HydrophobicContact CB-CG 3.81Å; C568-E570 PolarHBondContact O-N 2.95Å; C568-L583 WeakPolarHBondContact O-CA 3.46Å; C568-R584 PolarHBondContact N-O 3.34Å; C568-R584 PolarHBondContact O-N 3.21Å; C568-R584 VanDerWaalsContact O-N 3.14Å; C568-C586 HydrophobicContact CB-CB 3.78Å; C568-C586 WeakPolarHBondContact CB-SG 3.45Å; C568-C586 WeakPolarHBondContact SG-CB 3.2Å; C568-C586 CovalentContact SG-SG 2.03Å; C568-C586 PolarHBondContact SG-SG 2.73Å
569L97.8Very high92.2Very high0 Ų050.2 Ų50.20%030%0.303CS..EExtended strand (participates in β ladder)trans-72.2118.6163.5-170.967.7000108.4L527 P536 W552 I560 L581 L583 W591L527-L569 HydrophobicContact CD2-CD1 4.05Å; L527-L569 HydrophobicContact CD2-CD2 3.82Å; P536-L569 HydrophobicContact CB-CD1 3.96Å; P536-L569 HydrophobicContact CG-CD1 3.83Å; W552-L569 HydrophobicContact CZ3-CB 4.35Å; I560-L569 HydrophobicContact CB-CB 4.12Å; I560-L569 HydrophobicContact CG2-CB 4Å; I560-L569 HydrophobicContact CG2-CD2 4.41Å; I560-L569 PolarHBondContact O-N 3.09Å; L569-L581 HydrophobicContact CD1-CD1 3.73Å; L569-L581 HydrophobicContact CD1-CD2 4.04Å; L569-L581 HydrophobicContact CD1-CG 3.76Å; L569-L581 HydrophobicContact CD2-CD1 4.31Å; L569-L581 HydrophobicContact CG-CD1 3.86Å; L569-L581 HydrophobicContact CG-CG 4.45Å; L569-L583 HydrophobicContact CD1-CD2 4.05Å; L569-W591 HydrophobicContact CB-CZ2 4.4Å; L569-W591 HydrophobicContact CD2-CH2 4.15Å; L569-W591 HydrophobicContact CD2-CZ2 3.97Å; L569-W591 HydrophobicContact CG-CH2 4.33Å; L569-W591 HydrophobicContact CG-CZ2 3.81Å; L569-W591 PolarHBondContact O-NE1 2.89Å
570E97.4Very high91.9Very high1 Ų150.8 Ų50.81%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-137.5145.8-167.1-71-85.715800110.3C568 I582 R584 C586 T587 Q589C568-E570 HydrophobicContact CB-CG 3.81Å; C568-E570 PolarHBondContact O-N 2.95Å; E570-I582 HydrophobicContact CB-CG1 4.34Å; E570-I582 PolarHBondContact N-O 2.75Å; E570-I582 WeakPolarHBondContact O-CG1 3.23Å; E570-I582 PolarHBondContact O-N 3.01Å; E570-R584 HydrophobicContact CB-CG 3.86Å; E570-R584 HydrophobicContact CG-CG 3.82Å; E570-C586 WeakPolarHBondContact OE1-CA 3.49Å; E570-T587 PolarHBondContact OE1-N 3.41Å; E570-T587 PolarHBondContact OE2-OG1 2.76Å; E570-Q589 WeakPolarHBondContact OE2-CG 3.37Å; E570-Q589 PolarHBondContact OE2-NE2 3.47Å
571V96Very high91.8Very high5 Ų551 Ų513%0.0330%0.302CS..EExtended strand (participates in β ladder)trans-93.9133174.5-177.20000109.6N471 A474 L491 I579 D580 R584 Q589 W591N471-V571 HydrophobicContact CB-CG2 3.62Å; A474-V571 HydrophobicContact CB-CG1 4.05Å; L491-V571 HydrophobicContact CD1-CB 4.37Å; L491-V571 HydrophobicContact CD1-CG1 3.8Å; L491-V571 HydrophobicContact CD1-CG2 3.88Å; V571-I579 HydrophobicContact CG1-CG2 3.17Å; V571-D580 WeakPolarHBondContact CA-O 3.19Å; V571-R584 PolarHBondContact O-NH2 3.23Å; V571-Q589 PolarHBondContact O-NE2 3.15Å; V571-W591 HydrophobicContact CG2-CH2 3.82Å; V571-W591 HydrophobicContact CG2-CZ2 3.86Å
572E94.1Very high91.8Very high31 Ų3147.8 Ų47.815%0.14529%0.286CS..EExtended strand (participates in β ladder)trans-119.7115.9174.8-177.7169.6-86.500110R534 R574 I579 D580 I582 R584R534-E572 IonicContact CZ-OE2 3.29Å; R534-E572 IonicContact NH2-OE1 3.34Å; R534-E572 PolarHBondContact NH2-OE1 2.96Å; R534-E572 IonicContact NH2-OE2 2.84Å; R534-E572 PolarHBondContact NH2-OE2 3.33Å; E572-R574 HydrophobicContact CG-CG 4.17Å; E572-R574 IonicContact OE2-CZ 2.98Å; E572-R574 IonicContact OE2-NE 3.71Å; E572-R574 PolarHBondContact OE2-NE 3.28Å; E572-R574 IonicContact OE2-NH2 2.96Å; E572-R574 PolarHBondContact OE2-NH2 3.06Å; E572-I579 WeakPolarHBondContact O-CA 3.42Å; E572-D580 PolarHBondContact N-O 3.48Å; E572-D580 PolarHBondContact O-N 3.17Å; E572-I582 HydrophobicContact CB-CD1 3.79Å; E572-I582 HydrophobicContact CB-CG1 4.15Å; E572-I582 HydrophobicContact CG-CD1 4.4Å; E572-I582 WeakPolarHBondContact OE1-CD1 3.38Å; E572-R584 IonicContact OE1-CZ 2.61Å; E572-R584 IonicContact OE1-NH1 2.86Å; E572-R584 PolarHBondContact OE1-NH1 3.28Å
573N88.8Confident91.7Very high120 Ų12048 Ų4864%0.64229%0.288SS*.EExtended strand (participates in β ladder)trans-86.1120.5172.6-174.2-13.5000109G575N573-G575 PolarHBondContact OD1-N 3.21Å
574R85.9Confident91.8Very high110 Ų11046.6 Ų46.642%0.41528%0.279SS..  trans-104.521.6178.2-64.4-170171.4154.214.8113E572 L576 A577 G578 D580E572-R574 HydrophobicContact CG-CG 4.17Å; E572-R574 IonicContact OE2-CZ 2.98Å; E572-R574 IonicContact OE2-NE 3.71Å; E572-R574 PolarHBondContact OE2-NE 3.28Å; E572-R574 IonicContact OE2-NH2 2.96Å; E572-R574 PolarHBondContact OE2-NH2 3.06Å; R574-L576 PolarHBondContact O-N 3.21Å; R574-A577 HydrophobicContact CB-CB 3.83Å; R574-A577 PolarHBondContact O-N 3Å; R574-G578 PolarHBondContact N-O 2.9Å; R574-D580 IonicContact CZ-OD2 3.15Å; R574-D580 IonicContact NE-OD2 3.53Å; R574-D580 PolarHBondContact NE-OD2 3.12Å; R574-D580 IonicContact NH1-OD2 3.01Å; R574-D580 PolarHBondContact NH1-OD2 3.33Å; R574-D580 IonicContact NH2-OD2 2.81Å; R574-D580 PolarHBondContact NH2-OD2 3.42Å
575G81.9Confident91.9Very high53 Ų5349.5 Ų49.555%0.54629%0.294SS..G310 helixtrans64.3-120-17900000110.8N573 A577 G578N573-G575 PolarHBondContact OD1-N 3.21Å; G575-A577 PolarHBondContact O-N 3.48Å; G575-G578 PolarHBondContact O-N 2.83Å; G575-G578 VanDerWaalsContact O-N 3.08Å
576L76.8Confident91.9Very high191 Ų19150.4 Ų50.4100%130%0.301SS*.G310 helixtrans-61-25.6-179.4-68.7171.1000113.6R574 G578R574-L576 PolarHBondContact O-N 3.21Å; L576-G578 PolarHBondContact O-N 3.38Å
577A76Confident91.9Very high78 Ų7851.8 Ų51.865%0.64530%0.301SS*.G310 helixtrans-79.9-0.7178.800000113.6R574 G575R574-A577 HydrophobicContact CB-CB 3.83Å; R574-A577 PolarHBondContact O-N 3Å; G575-A577 PolarHBondContact O-N 3.48Å
578G83.6Confident91.8Very high30 Ų3052.4 Ų52.431%0.30932%0.323SS..  trans92-159.8176.400000114.3R574 G575 L576R574-G578 PolarHBondContact N-O 2.9Å; G575-G578 PolarHBondContact O-N 2.83Å; G575-G578 VanDerWaalsContact O-N 3.08Å; L576-G578 PolarHBondContact O-N 3.38Å
579I89.9Confident91.7Very high65 Ų6552.5 Ų52.533%0.33332%0.323SS..EExtended strand (participates in β ladder)trans-118122.8-174.3-55.2177.7000108.9A474 L491 V571 E572A474-I579 HydrophobicContact CB-CD1 4.27Å; A474-I579 HydrophobicContact CB-CG2 4.49Å; L491-I579 HydrophobicContact CD1-CG2 3.67Å; V571-I579 HydrophobicContact CG1-CG2 3.17Å; E572-I579 WeakPolarHBondContact O-CA 3.42Å
580D91.7Very high91.7Very high48 Ų4859.1 Ų59.126%0.25735%0.348SS..EExtended strand (participates in β ladder)trans-106147.3-179.3-78.2-18.7000112.3V571 E572 R574 I582V571-D580 WeakPolarHBondContact CA-O 3.19Å; E572-D580 PolarHBondContact N-O 3.48Å; E572-D580 PolarHBondContact O-N 3.17Å; R574-D580 IonicContact CZ-OD2 3.15Å; R574-D580 IonicContact NE-OD2 3.53Å; R574-D580 PolarHBondContact NE-OD2 3.12Å; R574-D580 IonicContact NH1-OD2 3.01Å; R574-D580 PolarHBondContact NH1-OD2 3.33Å; R574-D580 IonicContact NH2-OD2 2.81Å; R574-D580 PolarHBondContact NH2-OD2 3.42Å; D580-I582 HydrophobicContact CB-CG2 4.1Å
581L96Very high91.7Very high7 Ų759.1 Ų59.14%0.03735%0.348CS..EExtended strand (participates in β ladder)trans-96.5119.2168.5-16969.4000109.9L479 A489 L491 L535 P536 L569 W591L479-L581 HydrophobicContact CD1-CD1 4.38Å; L479-L581 HydrophobicContact CD1-CD2 3.2Å; L479-L581 HydrophobicContact CD1-CG 4.42Å; A489-L581 HydrophobicContact CB-CD2 3.95Å; L491-L581 HydrophobicContact CD1-CB 4.18Å; L491-L581 HydrophobicContact CD1-CD1 4.25Å; L491-L581 HydrophobicContact CD2-CD1 4.21Å; L491-L581 HydrophobicContact CG-CB 4.05Å; L491-L581 HydrophobicContact CG-CD1 4.13Å; L535-L581 WeakPolarHBondContact CD2-O 3.34Å; P536-L581 WeakPolarHBondContact CD-O 3.49Å; P536-L581 HydrophobicContact CG-CD2 3.48Å; P536-L581 VanDerWaalsContact CG-CD2 3.48Å; P536-L581 HydrophobicContact CG-CG 3.8Å; L569-L581 HydrophobicContact CD1-CD1 3.73Å; L569-L581 HydrophobicContact CD1-CD2 4.04Å; L569-L581 HydrophobicContact CD1-CG 3.76Å; L569-L581 HydrophobicContact CD2-CD1 4.31Å; L569-L581 HydrophobicContact CG-CD1 3.86Å; L569-L581 HydrophobicContact CG-CG 4.45Å; L581-W591 HydrophobicContact CD1-CH2 3.67Å; L581-W591 HydrophobicContact CD1-CZ2 4.05Å
582I96.6Very high91.8Very high1 Ų161.4 Ų61.41%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-135.6162.6-174.163.9166.2000112.9R534 L535 E570 E572 D580 R584R534-I582 HydrophobicContact CG-CB 4.32Å; R534-I582 HydrophobicContact CG-CG2 4.35Å; R534-I582 CarbonylContact O-C 3.59Å; R534-I582 WeakPolarHBondContact O-CA 3.38Å; L535-I582 HydrophobicContact CD2-CG2 4.19Å; E570-I582 HydrophobicContact CB-CG1 4.34Å; E570-I582 PolarHBondContact N-O 2.75Å; E570-I582 WeakPolarHBondContact O-CG1 3.23Å; E570-I582 PolarHBondContact O-N 3.01Å; E572-I582 HydrophobicContact CB-CD1 3.79Å; E572-I582 HydrophobicContact CB-CG1 4.15Å; E572-I582 HydrophobicContact CG-CD1 4.4Å; E572-I582 WeakPolarHBondContact OE1-CD1 3.38Å; D580-I582 HydrophobicContact CB-CG2 4.1Å; I582-R584 HydrophobicContact CD1-CG 4.13Å; I582-R584 HydrophobicContact CG1-CG 4.42Å
583L97.7Very high91.9Very high5 Ų560 Ų603%0.02636%0.356CS..EExtended strand (participates in β ladder)trans-108.2115174.2-63.5173.1000110.2D529 R534 P536 W552 R567 C568 L569D529-L583 HydrophobicContact CB-CD1 3.79Å; R534-L583 PolarHBondContact O-N 3.01Å; P536-L583 HydrophobicContact CB-CD1 4.14Å; P536-L583 HydrophobicContact CB-CD2 4.17Å; P536-L583 HydrophobicContact CB-CG 4.11Å; W552-L583 HydrophobicContact CH2-CD2 3.62Å; W552-L583 HydrophobicContact CZ3-CD2 4.23Å; R567-L583 PolarHBondContact NH1-O 3.26Å; C568-L583 WeakPolarHBondContact O-CA 3.46Å; L569-L583 HydrophobicContact CD1-CD2 4.05Å
584R96.1Very high92.2Very high72 Ų7259.2 Ų59.227%0.27235%0.347SS..EExtended strand (participates in β ladder)trans-153.3179179.361169.1164.6-150-10.4111.6R567 C568 E570 V571 E572 I582R567-R584 CarbonylContact C-O 3.57Å; C568-R584 PolarHBondContact N-O 3.34Å; C568-R584 PolarHBondContact O-N 3.21Å; C568-R584 VanDerWaalsContact O-N 3.14Å; E570-R584 HydrophobicContact CB-CG 3.86Å; E570-R584 HydrophobicContact CG-CG 3.82Å; V571-R584 PolarHBondContact O-NH2 3.23Å; E572-R584 IonicContact OE1-CZ 2.61Å; E572-R584 IonicContact OE1-NH1 2.86Å; E572-R584 PolarHBondContact OE1-NH1 3.28Å; I582-R584 HydrophobicContact CD1-CG 4.13Å; I582-R584 HydrophobicContact CG1-CG 4.42Å
585S96.3Very high92.6Very high96 Ų9654.7 Ų54.767%0.67133%0.331SS*.SBendtrans-55.5143.3170-53.10000111.3T587S585-T587 WeakPolarHBondContact O-CG2 3.13Å; S585-T587 PolarHBondContact O-N 2.96Å
586C96.4Very high93.1Very high58 Ų5855.5 Ų55.539%0.39233%0.328SS..  trans-62.7129.1-175.7-48.20000111.3C568 E570C568-C586 HydrophobicContact CB-CB 3.78Å; C568-C586 WeakPolarHBondContact CB-SG 3.45Å; C568-C586 WeakPolarHBondContact SG-CB 3.2Å; C568-C586 CovalentContact SG-SG 2.03Å; C568-C586 PolarHBondContact SG-SG 2.73Å; E570-C586 WeakPolarHBondContact OE1-CA 3.49Å
587T96Very high93.7Very high69 Ų6948.4 Ų48.442%0.42329%0.291SS..  trans-109.718.5-178.174.60000113.3K473 E570 S585 Q589K473-T587 PolarHBondContact NZ-OG1 3.25Å; E570-T587 PolarHBondContact OE1-N 3.41Å; E570-T587 PolarHBondContact OE2-OG1 2.76Å; S585-T587 WeakPolarHBondContact O-CG2 3.13Å; S585-T587 PolarHBondContact O-N 2.96Å; T587-Q589 PolarHBondContact OG1-NE2 2.72Å
588G95Very high93.7Very high61 Ų6155.1 Ų55.163%0.62931%0.305SS*.SBendtrans79.616.2-175.900000114.1
589Q96.5Very high94.2Very high2 Ų256.4 Ų56.41%0.00931%0.305CS..  trans-69.5147.8173-68-170.834.200111.6N471 K473 E570 V571 T587N471-Q589 PolarHBondContact ND2-OE1 2.82Å; N471-Q589 PolarHBondContact OD1-OE1 3.47Å; K473-Q589 HydrophobicContact CD-CG 3.82Å; K473-Q589 HydrophobicContact CG-CG 4.16Å; E570-Q589 WeakPolarHBondContact OE2-CG 3.37Å; E570-Q589 PolarHBondContact OE2-NE2 3.47Å; V571-Q589 PolarHBondContact O-NE2 3.15Å; T587-Q589 PolarHBondContact OG1-NE2 2.72Å
590R97.2Very high94.4Very high139 Ų13955.9 Ų55.953%0.52530%0.304SS..  trans-123.6130.7-174.9-65.1-178.4-74.1176.2-3.3109.7N472 N557 G558N472-R590 HydrophobicContact CB-CB 4.29Å; N472-R590 PolarHBondContact N-O 2.93Å; N472-R590 PolarHBondContact OD1-N 2.75Å; N472-R590 PolarHBondContact OD1-O 3.03Å; N557-R590 WeakPolarHBondContact O-CB 3.42Å; N557-R590 WeakPolarHBondContact O-CD 3.49Å; N557-R590 WeakPolarHBondContact O-CG 3.19Å; G558-R590 CarbonylContact O-C 3.56Å; G558-R590 WeakPolarHBondContact O-CA 3.05Å
591W97.4Very high94.5Very high0 Ų056.3 Ų56.30%031%0.306CS..EExtended strand (participates in β ladder)trans-113.6147.4-179.2-69.391.8000111.1L469 R470 N471 L491 F554 N557 G558 I560 L569 V571 L581L469-W591 HydrophobicContact CD1-CB 3.96Å; L469-W591 HydrophobicContact CD1-CD2 4.25Å; L469-W591 HydrophobicContact CD1-CE3 3.58Å; L469-W591 HydrophobicContact CD1-CG 4.46Å; L469-W591 HydrophobicContact CD1-CZ3 4.43Å; L469-W591 HydrophobicContact CD2-CE3 4.43Å; L469-W591 HydrophobicContact CG-CE3 3.73Å; L469-W591 HydrophobicContact CG-CZ3 4.11Å; R470-W591 VanDerWaalsContact O-CA 3.29Å; R470-W591 WeakPolarHBondContact O-CA 3.43Å; N471-W591 HydrophobicContact CB-CD2 4.02Å; N471-W591 HydrophobicContact CB-CE3 3.77Å; N471-W591 HydrophobicContact CB-CH2 3.77Å; N471-W591 HydrophobicContact CB-CZ2 4Å; N471-W591 HydrophobicContact CB-CZ3 3.66Å; N471-W591 WeakPolarHBondContact ND2-CZ2 2.73Å; N471-W591 PolarHBondContact ND2-NE1 3.41Å; L491-W591 HydrophobicContact CD2-CH2 4.42Å; F554-W591 HydrophobicContact CE2-CB 4.38Å; N557-W591 WeakPolarHBondContact CA-O 3.17Å; N557-W591 PolarHBondContact N-O 2.85Å; G558-W591 PolarHBondContact O-N 3.2Å; I560-W591 HydrophobicContact CB-CG 4.48Å; I560-W591 HydrophobicContact CD1-CB 3.59Å; I560-W591 HydrophobicContact CD1-CD2 4.02Å; I560-W591 HydrophobicContact CD1-CG 3.62Å; I560-W591 HydrophobicContact CG1-CB 3.86Å; I560-W591 HydrophobicContact CG1-CG 3.9Å; L569-W591 HydrophobicContact CB-CZ2 4.4Å; L569-W591 HydrophobicContact CD2-CH2 4.15Å; L569-W591 HydrophobicContact CD2-CZ2 3.97Å; L569-W591 HydrophobicContact CG-CH2 4.33Å; L569-W591 HydrophobicContact CG-CZ2 3.81Å; L569-W591 PolarHBondContact O-NE1 2.89Å; V571-W591 HydrophobicContact CG2-CH2 3.82Å; V571-W591 HydrophobicContact CG2-CZ2 3.86Å; L581-W591 HydrophobicContact CD1-CH2 3.67Å; L581-W591 HydrophobicContact CD1-CZ2 4.05Å
592T97.1Very high94.4Very high53 Ų5359.2 Ų59.233%0.32532%0.322SS..EExtended strand (participates in β ladder)trans-135.6130.1179.4-47.50000108.7L469 R470 N557L469-T592 WeakPolarHBondContact CA-O 3.46Å; L469-T592 WeakPolarHBondContact CD1-O 3.36Å; R470-T592 PolarHBondContact N-O 2.03Å; R470-T592 PolarHBondContact O-N 2.76Å; N557-T592 PolarHBondContact OD1-OG1 3.23Å
593I96.4Very high94.3Very high2 Ų262.9 Ų62.91%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-98.2126.7168.7-64.5177.9000107.5A465 Y466 L469 L510 F554 Q556 N595A465-I593 HydrophobicContact CB-CB 4.02Å; A465-I593 HydrophobicContact CB-CD1 4.06Å; A465-I593 HydrophobicContact CB-CG2 3.81Å; Y466-I593 VanDerWaalsContact N-CG2 3.3Å; Y466-I593 WeakPolarHBondContact O-CG2 3.43Å; L469-I593 HydrophobicContact CB-CG1 4.36Å; L469-I593 HydrophobicContact CD1-CG1 3.72Å; L469-I593 HydrophobicContact CG-CG1 4.46Å; L510-I593 HydrophobicContact CD1-CD1 4.22Å; F554-I593 HydrophobicContact CD1-CD1 4.07Å; F554-I593 HydrophobicContact CE1-CB 4.32Å; F554-I593 HydrophobicContact CE1-CD1 3.59Å; F554-I593 HydrophobicContact CE1-CG1 3.93Å; F554-I593 HydrophobicContact CE2-CD1 4.48Å; F554-I593 HydrophobicContact CE2-CG1 4.29Å; F554-I593 HydrophobicContact CZ-CB 4.05Å; F554-I593 HydrophobicContact CZ-CD1 3.81Å; F554-I593 HydrophobicContact CZ-CG1 3.64Å; Q556-I593 PolarHBondContact NE2-O 3.02Å; Q556-I593 VanDerWaalsContact OE1-N 3.15Å; I593-N595 PolarHBondContact O-N 3.19Å
594K94.8Very high94.1Very high104 Ų10466.7 Ų66.745%0.45236%0.363SS..EExtended strand (participates in β ladder)trans-48.2-48-170.7-171.7179.7-175.6175.70114.5E468E468-K594 HydrophobicContact CB-CB 4.35Å; E468-K594 HydrophobicContact CB-CD 4.31Å; E468-K594 HydrophobicContact CG-CD 4.44Å; E468-K594 PolarHBondContact O-N 3.39Å; E468-K594 IonicContact OE1-NZ 2.9Å; E468-K594 PolarHBondContact OE1-NZ 2.03Å
595N95.4Very high93.9Very high14 Ų1466.4 Ų66.48%0.07537%0.369CS..EExtended strand (participates in β ladder)trans-118.5143.4-175.1-48.6-52.2000110.9A465 Y466 I593A465-N595 CarbonylContact C-O 3.54Å; A465-N595 VanDerWaalsContact CA-O 3.24Å; A465-N595 WeakPolarHBondContact CA-O 3.39Å; A465-N595 WeakPolarHBondContact CB-O 3.44Å; Y466-N595 HydrophobicContact CD1-CB 4.1Å; Y466-N595 HydrophobicContact CD2-CB 4.12Å; Y466-N595 HydrophobicContact CE1-CB 3.77Å; Y466-N595 HydrophobicContact CE2-CB 3.8Å; Y466-N595 VanDerWaalsContact CE2-ND2 3.32Å; Y466-N595 WeakPolarHBondContact CE2-ND2 3.32Å; Y466-N595 HydrophobicContact CG-CB 4.28Å; Y466-N595 PolarHBondContact N-O 3.06Å; Y466-N595 WeakPolarHBondContact O-CA 3.41Å; Y466-N595 VanDerWaalsContact O-CB 3.29Å; Y466-N595 WeakPolarHBondContact O-CB 3.42Å; Y466-N595 PolarHBondContact O-N 2.8Å; Y466-N595 PolarHBondContact O-ND2 3.18Å; I593-N595 PolarHBondContact O-N 3.19Å
596S92Very high93.8Very high71 Ų7164.1 Ų64.150%0.49735%0.346SS..EExtended strand (participates in β ladder)trans-118.1146170520000110.9
597I90.1Very high93.5Very high42 Ų4264.6 Ų64.622%0.21534%0.342CS..  trans-99.3117.2169.1-55.5-176.2000105.7I415 L421 T463 V464 Y466I415-I597 HydrophobicContact CD1-CD1 3.93Å; I415-I597 HydrophobicContact CG1-CD1 4.36Å; L421-I597 HydrophobicContact CD1-CB 4.39Å; L421-I597 HydrophobicContact CD1-CG1 3.99Å; L421-I597 HydrophobicContact CD1-CG2 4.12Å; T463-I597 HydrophobicContact CG2-CD1 3.8Å; V464-I597 PolarHBondContact O-N 2.99Å; Y466-I597 HydrophobicContact CD1-CD1 4.04Å; Y466-I597 HydrophobicContact CD1-CG1 3.92Å; Y466-I597 HydrophobicContact CE1-CD1 3.91Å; Y466-I597 HydrophobicContact CE1-CG1 3.6Å
598K74.7Confident93.3Very high218 Ų21864.2 Ų64.295%0.94834%0.335SS*.  trans-720179.2-71.2178.3-173.3155.50111.2E422E422-K598 VanDerWaalsContact CD-NZ 3.34Å; E422-K598 IonicContact OE1-NZ 2.76Å; E422-K598 PolarHBondContact OE1-NZ 2.87Å; E422-K598 IonicContact OE2-NZ 3.09Å; E422-K598 PolarHBondContact OE2-NZ 2.65Å; E422-K598 VanDerWaalsContact OE2-NZ 3.09Å

Retrieved 598 of 598 residues in 453.2 ms (Link to these results)

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