A0A3Q0KCK1_SCHMA Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KCK1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 401 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
1M50.5Low56.5Low224 Ų224141 Ų141100%1.10368%0.682SS**  0-140-75.8-175-167.800115.7
2R50.1Low56.9Low229 Ų229140.2 Ų140.286%0.86467%0.668SS**  trans-86.6-17.7-177.4-71.7-176.3176.1176.9-1.1116.2
3L48.4Very low57.2Low153 Ų153135 Ų13580%0.80165%0.651SS**Hα-helixtrans-79.6-27.8177-88.5129.1000114.1Y5 S7L3-Y5 VanDerWaalsContact C-N 3.33Å; L3-Y5 PolarHBondContact O-N 3.34Å; L3-S7 PolarHBondContact O-N 3.25Å
4N53.8Low57.4Low122 Ų122133.6 Ų133.665%0.65265%0.649SS**Hα-helixtrans-72.4-25.4-179.3-75.9-7000113.3Y8N4-Y8 WeakPolarHBondContact O-CB 2.99Å; N4-Y8 PolarHBondContact O-N 3.2Å
5Y54.2Low57.2Low179 Ų179132.1 Ų132.170%0.70266%0.655SS**Hα-helixtrans-72.9-36.9-178.5-128.2-91.8000112.5L3 Y8 L9L3-Y5 VanDerWaalsContact C-N 3.33Å; L3-Y5 PolarHBondContact O-N 3.34Å; Y5-Y8 PolarHBondContact O-N 3.11Å; Y5-L9 HydrophobicContact CD1-CD1 4.13Å; Y5-L9 WeakPolarHBondContact O-CB 3.4Å; Y5-L9 PolarHBondContact O-N 3.25Å
6I62.7Low57.1Low109 Ų109135.8 Ų135.856%0.55966%0.659SS**Hα-helixtrans-72-39.8178.4-59.8175.9000110.2Y8 L9 L10I6-Y8 PolarHBondContact O-N 3.44Å; I6-L9 PolarHBondContact O-N 2.81Å; I6-L10 HydrophobicContact CG2-CD1 3.92Å; I6-L10 WeakPolarHBondContact O-CB 3.45Å; I6-L10 WeakPolarHBondContact O-CG 3.46Å; I6-L10 PolarHBondContact O-N 3.18Å
7S59.9Low56.9Low74 Ų74129.5 Ų129.552%0.51763%0.629SS.*Hα-helixtrans-61.4-41.7172.91780000112.1L3 L10 S11L3-S7 PolarHBondContact O-N 3.25Å; S7-L10 PolarHBondContact O-N 2.75Å; S7-S11 VanDerWaalsContact O-CB 3.3Å; S7-S11 WeakPolarHBondContact O-CB 3.17Å; S7-S11 PolarHBondContact O-N 3.07Å
8Y58.9Low56.8Low181 Ų181136 Ų13671%0.7165%0.646SS**Hα-helixtrans-66.6-41176.4-116.8-91.2000112.9N4 Y5 I6 S11 Y12N4-Y8 WeakPolarHBondContact O-CB 2.99Å; N4-Y8 PolarHBondContact O-N 3.2Å; Y5-Y8 PolarHBondContact O-N 3.11Å; I6-Y8 PolarHBondContact O-N 3.44Å; Y8-S11 PolarHBondContact O-N 3.16Å; Y8-Y12 VanDerWaalsContact O-CB 3.24Å; Y8-Y12 WeakPolarHBondContact O-CB 2.95Å; Y8-Y12 PolarHBondContact O-N 3.03Å
9L61.4Low57.2Low99 Ų99132.1 Ų132.152%0.51864%0.635SS.*Hα-helixtrans-65.4-42.5175.8-86.1156.5000111.9Y5 I6 Y12 V13Y5-L9 HydrophobicContact CD1-CD1 4.13Å; Y5-L9 WeakPolarHBondContact O-CB 3.4Å; Y5-L9 PolarHBondContact O-N 3.25Å; I6-L9 PolarHBondContact O-N 2.81Å; L9-Y12 PolarHBondContact O-N 3.06Å; L9-V13 WeakPolarHBondContact O-CB 3.45Å; L9-V13 VanDerWaalsContact O-CG2 3.23Å; L9-V13 WeakPolarHBondContact O-CG2 3.43Å; L9-V13 PolarHBondContact O-N 2.89Å
10L61.8Low57.6Low107 Ų107137.2 Ų137.256%0.5665%0.647SS**Hα-helixtrans-64.5-39.1174.7-81159.9000112.3I6 S7 N14I6-L10 HydrophobicContact CG2-CD1 3.92Å; I6-L10 WeakPolarHBondContact O-CB 3.45Å; I6-L10 WeakPolarHBondContact O-CG 3.46Å; I6-L10 PolarHBondContact O-N 3.18Å; S7-L10 PolarHBondContact O-N 2.75Å; L10-N14 VanDerWaalsContact O-CB 3.3Å; L10-N14 WeakPolarHBondContact O-CB 3.44Å; L10-N14 PolarHBondContact O-N 3.28Å; L10-N14 PolarHBondContact O-ND2 3.29Å
11S60.2Low58Low74 Ų74138.6 Ų138.652%0.51765%0.651SS.*Hα-helixtrans-66.3-43174.3-178.90000112S7 Y8 N14 C15S7-S11 VanDerWaalsContact O-CB 3.3Å; S7-S11 WeakPolarHBondContact O-CB 3.17Å; S7-S11 PolarHBondContact O-N 3.07Å; Y8-S11 PolarHBondContact O-N 3.16Å; S11-N14 PolarHBondContact O-N 3.32Å; S11-C15 VanDerWaalsContact O-CB 3.3Å; S11-C15 WeakPolarHBondContact O-CB 3.33Å; S11-C15 PolarHBondContact O-N 3.2Å
12Y61.3Low58.6Low131 Ų131130.5 Ų130.551%0.51462%0.616SS.*Hα-helixtrans-66.1-40.7179.5-167.9-96.3000112.6Y8 L9 C15 R16Y8-Y12 VanDerWaalsContact O-CB 3.24Å; Y8-Y12 WeakPolarHBondContact O-CB 2.95Å; Y8-Y12 PolarHBondContact O-N 3.03Å; L9-Y12 PolarHBondContact O-N 3.06Å; Y12-C15 PolarHBondContact O-N 3.3Å; Y12-R16 PolarHBondContact O-N 2.76Å; Y12-R16 VanDerWaalsContact OH-CZ 3.3Å; Y12-R16 PolarHBondContact OH-NH1 2.01Å; Y12-R16 VanDerWaalsContact OH-NH1 3.12Å
13V60.9Low59.6Low73 Ų73125 Ų12544%0.44260%0.598SS.*Hα-helixtrans-68.4-40.7175.4174.10000110.8L9 C15 L17L9-V13 WeakPolarHBondContact O-CB 3.45Å; L9-V13 VanDerWaalsContact O-CG2 3.23Å; L9-V13 WeakPolarHBondContact O-CG2 3.43Å; L9-V13 PolarHBondContact O-N 2.89Å; V13-C15 VanDerWaalsContact C-N 3.32Å; V13-C15 PolarHBondContact O-N 3.09Å; V13-L17 HydrophobicContact CG1-CD1 3.67Å; V13-L17 WeakPolarHBondContact O-CD1 3.22Å; V13-L17 WeakPolarHBondContact O-CG 3.24Å; V13-L17 PolarHBondContact O-N 2.63Å
14N59.5Low60.9Low116 Ų116124.4 Ų124.462%0.6259%0.589SS**Hα-helixtrans-65.2-32.5174.4-87.4-33.6000113.3L10 S11L10-N14 VanDerWaalsContact O-CB 3.3Å; L10-N14 WeakPolarHBondContact O-CB 3.44Å; L10-N14 PolarHBondContact O-N 3.28Å; L10-N14 PolarHBondContact O-ND2 3.29Å; S11-N14 PolarHBondContact O-N 3.32Å
15C53.9Low62Low110 Ų110123.5 Ų123.574%0.74358%0.584SS**Hα-helixtrans-79.9-19.5-176.9-158.90000113.9S11 Y12 V13S11-C15 VanDerWaalsContact O-CB 3.3Å; S11-C15 WeakPolarHBondContact O-CB 3.33Å; S11-C15 PolarHBondContact O-N 3.2Å; Y12-C15 PolarHBondContact O-N 3.3Å; V13-C15 VanDerWaalsContact C-N 3.32Å; V13-C15 PolarHBondContact O-N 3.09Å
16R56.3Low63.1Low191 Ų191117.4 Ų117.472%0.72157%0.567SS**Hα-helixtrans-102.2-10.4-179.4-100.6-177.5176.1-175.70.3115.7Y12 R18Y12-R16 PolarHBondContact O-N 2.76Å; Y12-R16 VanDerWaalsContact OH-CZ 3.3Å; Y12-R16 PolarHBondContact OH-NH1 2.01Å; Y12-R16 VanDerWaalsContact OH-NH1 3.12Å; R16-R18 PolarHBondContact O-N 3.21Å; R16-R18 VanDerWaalsContact O-N 3.14Å
17L53.1Low64Low29 Ų29116.7 Ų116.715%0.15256%0.563CS.*  trans-88.870.3179.7-71.5164.3000111.9V13 C22 K23 C26V13-L17 HydrophobicContact CG1-CD1 3.67Å; V13-L17 WeakPolarHBondContact O-CD1 3.22Å; V13-L17 WeakPolarHBondContact O-CG 3.24Å; V13-L17 PolarHBondContact O-N 2.63Å; L17-C22 HydrophobicContact CD2-CB 3.48Å; L17-C22 VanDerWaalsContact CD2-CB 3.48Å; L17-C22 WeakPolarHBondContact CD2-SG 3.47Å; L17-K23 HydrophobicContact CB-CG 4.18Å; L17-K23 WeakPolarHBondContact O-CE 3.4Å; L17-C26 HydrophobicContact CD1-CB 4.49Å
18R55.7Low65.2Low247 Ų247116.2 Ų116.293%0.93255%0.554SS**  trans-84.1-5.3-177.3-155.2170.7-176.9172.60.6114.7R16R16-R18 PolarHBondContact O-N 3.21Å; R16-R18 VanDerWaalsContact O-N 3.14Å
19S64.9Low66.4Low62 Ų62113.4 Ų113.443%0.43455%0.549SS..SBendtrans-103.3128.9177.5167.70000111.3K21 C22 K23S19-K21 PolarHBondContact O-N 3.45Å; S19-K21 VanDerWaalsContact O-N 3.1Å; S19-K21 PolarHBondContact OG-N 3.46Å; S19-C22 PolarHBondContact O-N 3.23Å; S19-K23 PolarHBondContact O-N 3.17Å
20R64.2Low67.6Low234 Ų234114.6 Ų114.688%0.88356%0.555SS**Hα-helixtrans-49.9-34.9173.8-83.1-175.5174.8178-1.4112.3F24R20-F24 PolarHBondContact O-N 2.92Å
21K66.7Low68.9Low166 Ų166113.9 Ų113.972%0.72255%0.551SS**Hα-helixtrans-66.5-36.5177.9-64.6-174.4177.6-178.30112.5S19 F24 L25S19-K21 PolarHBondContact O-N 3.45Å; S19-K21 VanDerWaalsContact O-N 3.1Å; S19-K21 PolarHBondContact OG-N 3.46Å; K21-F24 PolarHBondContact O-N 2.96Å; K21-L25 PolarHBondContact O-N 2.95Å
22C63.4Low70.3Confident55 Ų55114.8 Ų114.837%0.37255%0.549SS..Hα-helixtrans-76.7-36.3-176.9-140.70000111.7L17 S19 F24 L25 C26L17-C22 HydrophobicContact CD2-CB 3.48Å; L17-C22 VanDerWaalsContact CD2-CB 3.48Å; L17-C22 WeakPolarHBondContact CD2-SG 3.47Å; S19-C22 PolarHBondContact O-N 3.23Å; C22-F24 VanDerWaalsContact C-N 3.34Å; C22-F24 PolarHBondContact O-N 3.25Å; C22-L25 PolarHBondContact O-N 3.37Å; C22-C26 PolarHBondContact O-N 3.49Å; C22-C26 PolarHBondContact O-SG 3.28Å
23K70.6Confident71.6Confident114 Ų114111.9 Ų111.950%0.49655%0.548SS..Hα-helixtrans-61.2-42.1169.6-69.2-172.1178-174.10112L17 S19 C26 I27L17-K23 HydrophobicContact CB-CG 4.18Å; L17-K23 WeakPolarHBondContact O-CE 3.4Å; S19-K23 PolarHBondContact O-N 3.17Å; K23-C26 PolarHBondContact O-N 3.15Å; K23-I27 WeakPolarHBondContact O-CD1 3.47Å; K23-I27 VanDerWaalsContact O-CG1 3.26Å; K23-I27 WeakPolarHBondContact O-CG1 3.46Å; K23-I27 PolarHBondContact O-N 3.34Å
24F75.7Confident73Confident139 Ų139111.9 Ų111.961%0.6155%0.551SS**Hα-helixtrans-63.7-44.4177.3-169.9-105.4000112.2R20 K21 C22 I27 I28R20-F24 PolarHBondContact O-N 2.92Å; K21-F24 PolarHBondContact O-N 2.96Å; C22-F24 VanDerWaalsContact C-N 3.34Å; C22-F24 PolarHBondContact O-N 3.25Å; F24-I27 PolarHBondContact O-N 3.4Å; F24-I28 HydrophobicContact CD1-CD1 3.59Å; F24-I28 HydrophobicContact CD1-CG1 4.49Å; F24-I28 HydrophobicContact CE1-CD1 3.3Å; F24-I28 HydrophobicContact CE1-CG1 4.31Å; F24-I28 HydrophobicContact CG-CD1 4.44Å; F24-I28 HydrophobicContact CZ-CD1 3.93Å; F24-I28 WeakPolarHBondContact O-CG1 3.49Å; F24-I28 PolarHBondContact O-N 3.28Å
25L77.3Confident74.6Confident104 Ų104111.6 Ų111.655%0.54555%0.548SS..Hα-helixtrans-61.3-42.7174.5-96.3141.1000112.9K21 C22 I27 I28 M29K21-L25 PolarHBondContact O-N 2.95Å; C22-L25 PolarHBondContact O-N 3.37Å; L25-I27 PolarHBondContact O-N 2.9Å; L25-I28 PolarHBondContact O-N 3.45Å; L25-M29 WeakPolarHBondContact O-CG 3.44Å; L25-M29 PolarHBondContact O-N 3.08Å
26C77.1Confident76.2Confident50 Ų50109.3 Ų109.334%0.33853%0.534SS..Hα-helixtrans-64.1-38.5175.6-73.70000112.6L17 C22 K23 M29 L30L17-C26 HydrophobicContact CD1-CB 4.49Å; C22-C26 PolarHBondContact O-N 3.49Å; C22-C26 PolarHBondContact O-SG 3.28Å; K23-C26 PolarHBondContact O-N 3.15Å; C26-M29 PolarHBondContact O-N 2.96Å; C26-L30 WeakPolarHBondContact O-CB 3.33Å; C26-L30 WeakPolarHBondContact O-CG 3.45Å; C26-L30 PolarHBondContact O-N 3.01Å
27I81.9Confident77.8Confident94 Ų94102.4 Ų102.448%0.48252%0.518SS..Hα-helixtrans-64.2-44.2175.7-68.5164.7000110.4K23 F24 L25 M29 L30 I31K23-I27 WeakPolarHBondContact O-CD1 3.47Å; K23-I27 VanDerWaalsContact O-CG1 3.26Å; K23-I27 WeakPolarHBondContact O-CG1 3.46Å; K23-I27 PolarHBondContact O-N 3.34Å; F24-I27 PolarHBondContact O-N 3.4Å; L25-I27 PolarHBondContact O-N 2.9Å; I27-M29 PolarHBondContact O-N 2.6Å; I27-L30 PolarHBondContact O-N 3.18Å; I27-I31 HydrophobicContact CG2-CD1 3.77Å; I27-I31 HydrophobicContact CG2-CG1 4.43Å; I27-I31 VanDerWaalsContact O-CG1 3.27Å; I27-I31 WeakPolarHBondContact O-CG1 3.28Å; I27-I31 PolarHBondContact O-N 3.15Å
28I83.8Confident79.5Confident65 Ų65105.5 Ų105.533%0.33353%0.533SS..Hα-helixtrans-60.5-46.7176-70.5169.2000111F24 L25 L30 I31 I32F24-I28 HydrophobicContact CD1-CD1 3.59Å; F24-I28 HydrophobicContact CD1-CG1 4.49Å; F24-I28 HydrophobicContact CE1-CD1 3.3Å; F24-I28 HydrophobicContact CE1-CG1 4.31Å; F24-I28 HydrophobicContact CG-CD1 4.44Å; F24-I28 HydrophobicContact CZ-CD1 3.93Å; F24-I28 WeakPolarHBondContact O-CG1 3.49Å; F24-I28 PolarHBondContact O-N 3.28Å; L25-I28 PolarHBondContact O-N 3.45Å; I28-L30 VanDerWaalsContact C-N 3.32Å; I28-L30 PolarHBondContact O-N 3.14Å; I28-I31 PolarHBondContact O-N 3.19Å; I28-I32 HydrophobicContact CG2-CD1 3.68Å; I28-I32 HydrophobicContact CG2-CG1 4.31Å; I28-I32 WeakPolarHBondContact O-CG1 3.43Å; I28-I32 PolarHBondContact O-N 3.08Å
29M85.3Confident80.9Confident122 Ų122102 Ų10260%0.60152%0.52SS*.Hα-helixtrans-62.9-38179.1-71-61.7-65.300112.4L25 C26 I27 S33L25-M29 WeakPolarHBondContact O-CG 3.44Å; L25-M29 PolarHBondContact O-N 3.08Å; C26-M29 PolarHBondContact O-N 2.96Å; I27-M29 PolarHBondContact O-N 2.6Å; M29-S33 WeakPolarHBondContact O-CB 3.3Å; M29-S33 PolarHBondContact O-N 2.87Å
30L87.1Confident81.8Confident124 Ų124103.7 Ų103.765%0.64952%0.524SS*.Hα-helixtrans-65.5-41.9173.6-80.1166.2000111.9C26 I27 I28 S33 C34C26-L30 WeakPolarHBondContact O-CB 3.33Å; C26-L30 WeakPolarHBondContact O-CG 3.45Å; C26-L30 PolarHBondContact O-N 3.01Å; I27-L30 PolarHBondContact O-N 3.18Å; I28-L30 VanDerWaalsContact C-N 3.32Å; I28-L30 PolarHBondContact O-N 3.14Å; L30-S33 PolarHBondContact O-N 3.13Å; L30-C34 VanDerWaalsContact O-CB 3.27Å; L30-C34 WeakPolarHBondContact O-CB 3.5Å; L30-C34 PolarHBondContact O-N 3.35Å
31I89.3Confident82.5Confident92 Ų9298.3 Ų98.347%0.47251%0.512SS..Hα-helixtrans-63-46.6176.2-68.6166000110.4I27 I28 S33 C34 L35I27-I31 HydrophobicContact CG2-CD1 3.77Å; I27-I31 HydrophobicContact CG2-CG1 4.43Å; I27-I31 VanDerWaalsContact O-CG1 3.27Å; I27-I31 WeakPolarHBondContact O-CG1 3.28Å; I27-I31 PolarHBondContact O-N 3.15Å; I28-I31 PolarHBondContact O-N 3.19Å; I31-S33 PolarHBondContact O-N 3.26Å; I31-C34 PolarHBondContact O-N 2.96Å; I31-L35 HydrophobicContact CG2-CD1 3.85Å; I31-L35 HydrophobicContact CG2-CG 4.33Å; I31-L35 WeakPolarHBondContact O-CB 3.35Å; I31-L35 VanDerWaalsContact O-CG 3.31Å; I31-L35 WeakPolarHBondContact O-CG 3.43Å; I31-L35 PolarHBondContact O-N 3.33Å
32I89.6Confident83Confident92 Ų9293.8 Ų93.847%0.47250%0.498SS..Hα-helixtrans-61.6-45177.8-66.6169.2000110.7I28 C34 L35 S36I28-I32 HydrophobicContact CG2-CD1 3.68Å; I28-I32 HydrophobicContact CG2-CG1 4.31Å; I28-I32 WeakPolarHBondContact O-CG1 3.43Å; I28-I32 PolarHBondContact O-N 3.08Å; I32-C34 VanDerWaalsContact C-N 3.3Å; I32-C34 PolarHBondContact O-N 3.32Å; I32-L35 PolarHBondContact O-N 3.4Å; I32-S36 WeakPolarHBondContact O-CB 3.15Å; I32-S36 PolarHBondContact O-N 3.25Å; I32-S36 PolarHBondContact O-OG 2.98Å
33S88.3Confident83.5Confident70 Ų7093.6 Ų93.649%0.4950%0.495SS..Hα-helixtrans-63.8-34.7176.6-178.30000112.7M29 L30 I31 S36 A37M29-S33 WeakPolarHBondContact O-CB 3.3Å; M29-S33 PolarHBondContact O-N 2.87Å; L30-S33 PolarHBondContact O-N 3.13Å; I31-S33 PolarHBondContact O-N 3.26Å; S33-S36 WeakPolarHBondContact CA-OG 3.33Å; S33-S36 PolarHBondContact O-OG 3.32Å; S33-A37 VanDerWaalsContact O-CB 3.28Å; S33-A37 WeakPolarHBondContact O-CB 3.24Å; S33-A37 PolarHBondContact O-N 2.85Å
34C90.7Very high83.6Confident74 Ų7493 Ų9350%0.550%0.497SS..Hα-helixtrans-73.5-42.1178.4-151.70000110.5L30 I31 I32 A37 I38L30-C34 VanDerWaalsContact O-CB 3.27Å; L30-C34 WeakPolarHBondContact O-CB 3.5Å; L30-C34 PolarHBondContact O-N 3.35Å; I31-C34 PolarHBondContact O-N 2.96Å; I32-C34 VanDerWaalsContact C-N 3.3Å; I32-C34 PolarHBondContact O-N 3.32Å; C34-A37 PolarHBondContact O-N 2.96Å; C34-I38 WeakPolarHBondContact O-CB 2.96Å; C34-I38 WeakPolarHBondContact O-CD1 3.43Å; C34-I38 WeakPolarHBondContact O-CG1 3.13Å; C34-I38 PolarHBondContact O-N 2.65Å
35L92Very high83Confident109 Ų10993.3 Ų93.357%0.57150%0.495SS*.Hα-helixtrans-64-40.6174.9-71.2171.9000112.1I31 I32 I38 W39I31-L35 HydrophobicContact CG2-CD1 3.85Å; I31-L35 HydrophobicContact CG2-CG 4.33Å; I31-L35 WeakPolarHBondContact O-CB 3.35Å; I31-L35 VanDerWaalsContact O-CG 3.31Å; I31-L35 WeakPolarHBondContact O-CG 3.43Å; I31-L35 PolarHBondContact O-N 3.33Å; I32-L35 PolarHBondContact O-N 3.4Å; L35-I38 PolarHBondContact O-N 3.29Å; L35-W39 WeakPolarHBondContact O-CB 3.34Å; L35-W39 PolarHBondContact O-N 3.46Å
36S88.1Confident82.1Confident63 Ų6393.4 Ų93.444%0.44149%0.494SS..Hα-helixtrans-67.8-39.1175.7680000112I32 S33 W39 L40I32-S36 WeakPolarHBondContact O-CB 3.15Å; I32-S36 PolarHBondContact O-N 3.25Å; I32-S36 PolarHBondContact O-OG 2.98Å; S33-S36 WeakPolarHBondContact CA-OG 3.33Å; S33-S36 PolarHBondContact O-OG 3.32Å; S36-W39 PolarHBondContact O-N 3.08Å; S36-L40 VanDerWaalsContact O-CB 3.3Å; S36-L40 WeakPolarHBondContact O-CB 3.33Å; S36-L40 PolarHBondContact O-N 3.46Å
37A88.6Confident80.9Confident46 Ų4698 Ų9838%0.3851%0.511SS..Hα-helixtrans-65.4-42.5174.400000112.2S33 C34 L40 L41S33-A37 VanDerWaalsContact O-CB 3.28Å; S33-A37 WeakPolarHBondContact O-CB 3.24Å; S33-A37 PolarHBondContact O-N 2.85Å; C34-A37 PolarHBondContact O-N 2.96Å; A37-L40 PolarHBondContact O-N 3.06Å; A37-L41 WeakPolarHBondContact O-CB 3.3Å; A37-L41 PolarHBondContact O-N 3.26Å
38I89.3Confident79.4Confident94 Ų94100.2 Ų100.248%0.48252%0.519SS..Hα-helixtrans-61.7-46.6174.2-69.6163.4000109.9C34 L35 L40 L41 T42C34-I38 WeakPolarHBondContact O-CB 2.96Å; C34-I38 WeakPolarHBondContact O-CD1 3.43Å; C34-I38 WeakPolarHBondContact O-CG1 3.13Å; C34-I38 PolarHBondContact O-N 2.65Å; L35-I38 PolarHBondContact O-N 3.29Å; I38-L40 VanDerWaalsContact C-N 3.32Å; I38-L40 PolarHBondContact O-N 3.2Å; I38-L41 PolarHBondContact O-N 3.35Å; I38-T42 HydrophobicContact CG2-CG2 4.34Å; I38-T42 WeakPolarHBondContact O-CG2 3.16Å; I38-T42 PolarHBondContact O-N 3.41Å; I38-T42 PolarHBondContact O-OG1 3.22Å; I38-T42 VanDerWaalsContact O-OG1 3.12Å
39W86Confident77.7Confident174 Ų17499.9 Ų99.966%0.65952%0.518SS*.Hα-helixtrans-59.4-44.1177-174.679000111.6L35 S36 T42 T43L35-W39 WeakPolarHBondContact O-CB 3.34Å; L35-W39 PolarHBondContact O-N 3.46Å; S36-W39 PolarHBondContact O-N 3.08Å; W39-T42 WeakPolarHBondContact CA-OG1 3.2Å; W39-T42 PolarHBondContact O-N 3.16Å; W39-T42 PolarHBondContact O-OG1 3.5Å; W39-T43 HydrophobicContact CD2-CG2 4.16Å; W39-T43 HydrophobicContact CE3-CG2 4.48Å; W39-T43 HydrophobicContact CH2-CG2 4.34Å; W39-T43 HydrophobicContact CZ2-CG2 3.99Å; W39-T43 WeakPolarHBondContact O-CG2 3.43Å; W39-T43 PolarHBondContact O-N 3.17Å; W39-T43 PolarHBondContact O-OG1 2.8Å; W39-T43 VanDerWaalsContact O-OG1 3.07Å
40L82.5Confident76Confident96 Ų96100.1 Ų100.150%0.50352%0.521SS..Hα-helixtrans-68.8-36.9179.3-150.1140.9000112.4S36 A37 I38 T43 L44S36-L40 VanDerWaalsContact O-CB 3.3Å; S36-L40 WeakPolarHBondContact O-CB 3.33Å; S36-L40 PolarHBondContact O-N 3.46Å; A37-L40 PolarHBondContact O-N 3.06Å; I38-L40 VanDerWaalsContact C-N 3.32Å; I38-L40 PolarHBondContact O-N 3.2Å; L40-T43 WeakPolarHBondContact CA-OG1 3.5Å; L40-T43 PolarHBondContact O-OG1 2.97Å; L40-L44 HydrophobicContact CD2-CD1 3.63Å; L40-L44 HydrophobicContact CD2-CG 4.22Å; L40-L44 WeakPolarHBondContact O-CB 3.4Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 3.48Å
41L79.4Confident74Confident122 Ų122100.1 Ų100.164%0.63952%0.521SS*.Hα-helixtrans-66-42.6171.2-101.7135.8000111.6A37 I38 L44 Y45A37-L41 WeakPolarHBondContact O-CB 3.3Å; A37-L41 PolarHBondContact O-N 3.26Å; I38-L41 PolarHBondContact O-N 3.35Å; L41-L44 PolarHBondContact O-N 2.96Å; L41-Y45 WeakPolarHBondContact O-CB 3.34Å; L41-Y45 PolarHBondContact O-N 3.34Å
42T77.5Confident72.1Confident70 Ų70102.4 Ų102.443%0.42953%0.53SS..Hα-helixtrans-66.4-37.5176.855.80000111.9I38 W39 M46I38-T42 HydrophobicContact CG2-CG2 4.34Å; I38-T42 WeakPolarHBondContact O-CG2 3.16Å; I38-T42 PolarHBondContact O-N 3.41Å; I38-T42 PolarHBondContact O-OG1 3.22Å; I38-T42 VanDerWaalsContact O-OG1 3.12Å; W39-T42 WeakPolarHBondContact CA-OG1 3.2Å; W39-T42 PolarHBondContact O-N 3.16Å; W39-T42 PolarHBondContact O-OG1 3.5Å; T42-M46 VanDerWaalsContact O-CB 3.23Å; T42-M46 WeakPolarHBondContact O-CB 3.08Å; T42-M46 WeakPolarHBondContact O-CG 3.27Å; T42-M46 PolarHBondContact O-N 3.16Å
43T74.5Confident70.2Confident51 Ų51102 Ų10231%0.31352%0.523SS..Hα-helixtrans-71.9-39.3176.851.30000112W39 L40 M46 Q47W39-T43 HydrophobicContact CD2-CG2 4.16Å; W39-T43 HydrophobicContact CE3-CG2 4.48Å; W39-T43 HydrophobicContact CH2-CG2 4.34Å; W39-T43 HydrophobicContact CZ2-CG2 3.99Å; W39-T43 WeakPolarHBondContact O-CG2 3.43Å; W39-T43 PolarHBondContact O-N 3.17Å; W39-T43 PolarHBondContact O-OG1 2.8Å; W39-T43 VanDerWaalsContact O-OG1 3.07Å; L40-T43 WeakPolarHBondContact CA-OG1 3.5Å; L40-T43 PolarHBondContact O-OG1 2.97Å; T43-M46 PolarHBondContact O-N 3.04Å; T43-Q47 WeakPolarHBondContact O-CB 3.36Å; T43-Q47 PolarHBondContact O-N 2.92Å
44L71.6Confident68.7Low102 Ų102101 Ų10153%0.53451%0.514SS..Hα-helixtrans-64.2-45.2172.7-75.1172.9000111.9L40 L41 M46 Q47 E48L40-L44 HydrophobicContact CD2-CD1 3.63Å; L40-L44 HydrophobicContact CD2-CG 4.22Å; L40-L44 WeakPolarHBondContact O-CB 3.4Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 3.48Å; L41-L44 PolarHBondContact O-N 2.96Å; L44-M46 VanDerWaalsContact C-N 3.34Å; L44-M46 PolarHBondContact O-N 3.07Å; L44-Q47 PolarHBondContact O-N 3.3Å; L44-Q47 VanDerWaalsContact O-N 3.11Å; L44-E48 PolarHBondContact O-N 3.04Å
45Y64Low67.1Low146 Ų146101.1 Ų101.157%0.57351%0.514SS*.Hα-helixtrans-62.4-41.3177-169.8-92000111.4L41 Q47 E48 D49L41-Y45 WeakPolarHBondContact O-CB 3.34Å; L41-Y45 PolarHBondContact O-N 3.34Å; Y45-Q47 VanDerWaalsContact C-N 3.28Å; Y45-Q47 PolarHBondContact O-N 3.46Å; Y45-E48 PolarHBondContact O-N 3.19Å; Y45-D49 WeakPolarHBondContact CE1-OD2 3.06Å; Y45-D49 PolarHBondContact O-N 2.78Å
46M56.7Low65.6Low106 Ų106103 Ų10352%0.52253%0.525SS..Hα-helixtrans-66.8-27.9174.7-69.9-78.1-82.900112.9T42 T43 L44T42-M46 VanDerWaalsContact O-CB 3.23Å; T42-M46 WeakPolarHBondContact O-CB 3.08Å; T42-M46 WeakPolarHBondContact O-CG 3.27Å; T42-M46 PolarHBondContact O-N 3.16Å; T43-M46 PolarHBondContact O-N 3.04Å; L44-M46 VanDerWaalsContact C-N 3.34Å; L44-M46 PolarHBondContact O-N 3.07Å
47Q53.1Low64.8Low147 Ų147102.5 Ų102.569%0.68752%0.517SS*.Hα-helixtrans-80.4-30.6176.5-168.9155.6-20.800112.4T43 L44 Y45T43-Q47 WeakPolarHBondContact O-CB 3.36Å; T43-Q47 PolarHBondContact O-N 2.92Å; L44-Q47 PolarHBondContact O-N 3.3Å; L44-Q47 VanDerWaalsContact O-N 3.11Å; Y45-Q47 VanDerWaalsContact C-N 3.28Å; Y45-Q47 PolarHBondContact O-N 3.46Å
48E49.2Very low64.5Low139 Ų139104.5 Ų104.565%0.6552%0.521SS*.Hα-helixtrans-75.9-36176.5-151164.3-154.800111.8L44 Y45 L50 L51L44-E48 PolarHBondContact O-N 3.04Å; Y45-E48 PolarHBondContact O-N 3.19Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 2.84Å; E48-L51 PolarHBondContact O-N 2.98Å
49D49.9Very low64.3Low59 Ų59100.2 Ų100.232%0.31650%0.499SS..Hα-helixtrans-65.8-31174.5-86-20.6000112.5Y45 L51 H52 F300Y45-D49 WeakPolarHBondContact CE1-OD2 3.06Å; Y45-D49 PolarHBondContact O-N 2.78Å; D49-L51 PolarHBondContact O-N 2.99Å; D49-H52 PolarHBondContact O-N 3.25Å; D49-H52 VanDerWaalsContact O-N 3.07Å; D49-F300 HydrophobicContact CB-CE1 4.21Å; D49-F300 WeakPolarHBondContact O-CE1 3.48Å; D49-F300 VanDerWaalsContact O-CZ 3.25Å; D49-F300 WeakPolarHBondContact O-CZ 3.25Å
50L47.9Very low64.2Low126 Ų12696.4 Ų96.466%0.6649%0.485SS*.THydrogen-bonded Turntrans-56.9-17.6179.7-147.789000113.3E48E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 2.84Å
51L46.6Very low64.4Low124 Ų12498.3 Ų98.365%0.64949%0.491SS*.THydrogen-bonded Turntrans-98.2-13.5-179-124.182.8000115.4E48 D49E48-L51 PolarHBondContact O-N 2.98Å; D49-L51 PolarHBondContact O-N 2.99Å
52H48.3Very low64.7Low141 Ų14194.3 Ų94.365%0.65347%0.47SS*.  trans-107.512.9-159.6-88.772.3000117.5D49D49-H52 PolarHBondContact O-N 3.25Å; D49-H52 VanDerWaalsContact O-N 3.07Å
53Y50.8Low65.1Low84 Ų8492.5 Ų92.533%0.32946%0.456SS..SBendtrans-146122.3-178.4-160.1-87.1000114.8S296 N297 P299 F300Y53-S296 PolarHBondContact OH-O 3.49Å; Y53-N297 WeakPolarHBondContact CE1-O 3.42Å; Y53-P299 HydrophobicContact CD1-CG 3.6Å; Y53-P299 HydrophobicContact CD2-CG 3.66Å; Y53-P299 HydrophobicContact CE1-CG 4.11Å; Y53-P299 HydrophobicContact CE2-CG 4.12Å; Y53-P299 HydrophobicContact CG-CG 3.39Å; Y53-F300 VanDerWaalsContact CB-CZ 3.5Å
54P55.5Low65.7Low47 Ų4794.6 Ų94.631%0.30546%0.462SS..SBendcis-123.1169.8-38.234.9-18.1000111.3K345P54-K345 PolarHBondContact O-NZ 3.25Å
55P58.8Low66.3Low78 Ų7897.3 Ų97.351%0.50647%0.47SS..  -78-176.2-57.711.710.8000110.2I57 K345P55-I57 HydrophobicContact CB-CG1 4.27Å; P55-I57 VanDerWaalsContact CD-CD1 3.42Å; P55-I57 HydrophobicContact CG-CD1 3.66Å; P55-I57 HydrophobicContact CG-CG1 3.7Å; P55-I57 PolarHBondContact O-N 2.93Å; P55-K345 PolarHBondContact O-NZ 2.03Å
56N59.2Low67.2Low148 Ų14891.8 Ų91.879%0.79145%0.449SS*.  trans-64.749.5170.9-149.80.1000111.9N58N56-N58 PolarHBondContact O-N 3.4Å
57I72.4Confident68.3Low53 Ų5390.3 Ų90.327%0.27244%0.44SS..  trans-79.8113.6176.3-66.6175.3000106.8P55 L59 I62 H328P55-I57 HydrophobicContact CB-CG1 4.27Å; P55-I57 VanDerWaalsContact CD-CD1 3.42Å; P55-I57 HydrophobicContact CG-CD1 3.66Å; P55-I57 HydrophobicContact CG-CG1 3.7Å; P55-I57 PolarHBondContact O-N 2.93Å; I57-L59 VanDerWaalsContact C-N 3.28Å; I57-L59 HydrophobicContact CG2-CD2 3.76Å; I57-L59 HydrophobicContact CG2-CG 4.3Å; I57-L59 PolarHBondContact O-N 3.29Å; I57-I62 HydrophobicContact CG2-CD1 3.32Å; I57-I62 HydrophobicContact CG2-CG1 4.34Å; I57-H328 HydrophobicContact CD1-CB 4.42Å
58N81.7Confident69.2Low88 Ų8890.2 Ų90.247%0.47144%0.443SS..  trans-7387.3168.4-172.6-20.8000109N56 Y60 Q61 I62N56-N58 PolarHBondContact O-N 3.4Å; N58-Y60 PolarHBondContact O-N 3.37Å; N58-Y60 WeakPolarHBondContact OD1-CB 3.47Å; N58-Y60 PolarHBondContact OD1-N 2.79Å; N58-Q61 HydrophobicContact CB-CB 3.95Å; N58-Q61 PolarHBondContact O-N 2.64Å; N58-Q61 VanDerWaalsContact O-N 3.09Å; N58-Q61 PolarHBondContact OD1-N 2.82Å; N58-I62 PolarHBondContact O-N 2.88Å; N58-I62 VanDerWaalsContact O-N 3.14Å
59L84.8Confident70.3Confident3 Ų388 Ų882%0.01643%0.433CS..Hα-helixtrans-58.9-31.6-179.3-71-177.6000112.2I57 I62 Y63 H328 V329 K345 F346I57-L59 VanDerWaalsContact C-N 3.28Å; I57-L59 HydrophobicContact CG2-CD2 3.76Å; I57-L59 HydrophobicContact CG2-CG 4.3Å; I57-L59 PolarHBondContact O-N 3.29Å; L59-I62 PolarHBondContact O-N 2.93Å; L59-Y63 WeakPolarHBondContact O-CB 3.17Å; L59-Y63 PolarHBondContact O-N 2.79Å; L59-H328 HydrophobicContact CD2-CB 3.88Å; L59-V329 HydrophobicContact CD1-CG2 4.42Å; L59-K345 HydrophobicContact CD1-CB 3.61Å; L59-K345 HydrophobicContact CD1-CD 3.77Å; L59-K345 HydrophobicContact CD1-CG 4.35Å; L59-K345 HydrophobicContact CG-CB 4.43Å; L59-K345 HydrophobicContact CG-CD 4.43Å; L59-F346 HydrophobicContact CB-CD1 4.13Å; L59-F346 HydrophobicContact CB-CE1 3.49Å; L59-F346 VanDerWaalsContact CB-CE1 3.49Å; L59-F346 HydrophobicContact CB-CE2 4.21Å; L59-F346 HydrophobicContact CB-CZ 3.55Å; L59-F346 HydrophobicContact CD1-CD2 4.29Å; L59-F346 HydrophobicContact CD1-CE2 3.82Å; L59-F346 HydrophobicContact CD1-CZ 4Å; L59-F346 HydrophobicContact CG-CZ 4.35Å
60Y84.5Confident71.1Confident94 Ų9485.7 Ų85.737%0.36942%0.42SS..Hα-helixtrans-63.9-44.6174.7-88.8-69.6000112.1N58 I62 Y63 E64 L321 F346N58-Y60 PolarHBondContact O-N 3.37Å; N58-Y60 WeakPolarHBondContact OD1-CB 3.47Å; N58-Y60 PolarHBondContact OD1-N 2.79Å; Y60-I62 VanDerWaalsContact C-N 3.28Å; Y60-I62 PolarHBondContact O-N 3.17Å; Y60-Y63 PolarHBondContact O-N 2.61Å; Y60-E64 WeakPolarHBondContact O-CB 3.08Å; Y60-E64 WeakPolarHBondContact O-CG 3.5Å; Y60-E64 PolarHBondContact O-N 3.01Å; Y60-L321 HydrophobicContact CD1-CD2 4.46Å; Y60-L321 HydrophobicContact CE1-CD2 4.16Å; Y60-F346 HydrophobicContact CD1-CD1 4.06Å; Y60-F346 HydrophobicContact CD1-CE1 4.42Å; Y60-F346 AromaticContact CD2-CD1 3.87Å; Y60-F346 HydrophobicContact CD2-CD1 3.87Å; Y60-F346 AromaticContact CE1-CD1 3.96Å; Y60-F346 HydrophobicContact CE1-CD1 3.96Å; Y60-F346 HydrophobicContact CE2-CB 3.99Å; Y60-F346 AromaticContact CE2-CD1 3.79Å; Y60-F346 HydrophobicContact CE2-CD1 3.79Å; Y60-F346 HydrophobicContact CE2-CG 4.39Å; Y60-F346 WeakPolarHBondContact CE2-O 3.02Å; Y60-F346 HydrophobicContact CG-CD1 4.01Å; Y60-F346 HydrophobicContact CG-CE1 4.41Å; Y60-F346 AromaticContact CZ-CD1 3.81Å; Y60-F346 VanDerWaalsContact CZ-O 3.25Å; Y60-F346 PolarHBondContact OH-O 3.46Å
61Q85.9Confident71.7Confident136 Ų13684.7 Ų84.764%0.63641%0.412SS*.Hα-helixtrans-63.2-37.9177.6-174.9178.2-6.300111.7N58 K65N58-Q61 HydrophobicContact CB-CB 3.95Å; N58-Q61 PolarHBondContact O-N 2.64Å; N58-Q61 VanDerWaalsContact O-N 3.09Å; N58-Q61 PolarHBondContact OD1-N 2.82Å; Q61-K65 PolarHBondContact O-N 3.27Å
62I85.6Confident72.4Confident39 Ų3983.9 Ų83.920%0.242%0.417CS..Hα-helixtrans-65.5-48.2174-64-175.8000110.5I57 N58 L59 Y60 E64 K65 E66 V324I57-I62 HydrophobicContact CG2-CD1 3.32Å; I57-I62 HydrophobicContact CG2-CG1 4.34Å; N58-I62 PolarHBondContact O-N 2.88Å; N58-I62 VanDerWaalsContact O-N 3.14Å; L59-I62 PolarHBondContact O-N 2.93Å; Y60-I62 VanDerWaalsContact C-N 3.28Å; Y60-I62 PolarHBondContact O-N 3.17Å; I62-E64 VanDerWaalsContact C-N 3.32Å; I62-E64 PolarHBondContact O-N 3.21Å; I62-K65 WeakPolarHBondContact O-CB 3.49Å; I62-K65 PolarHBondContact O-N 2.61Å; I62-E66 HydrophobicContact CG2-CG 4.07Å; I62-E66 WeakPolarHBondContact CG2-OE1 3.34Å; I62-E66 WeakPolarHBondContact O-CG 3.32Å; I62-E66 PolarHBondContact O-N 2.03Å; I62-V324 HydrophobicContact CB-CG1 4.11Å; I62-V324 HydrophobicContact CG2-CG1 3.56Å
63Y86.2Confident73.2Confident31 Ų3180.7 Ų80.712%0.12241%0.41CS..Hα-helixtrans-56.4-45.5177168.5-98.1000112.1L59 Y60 K65 E66 K67 Q320 L321 V324L59-Y63 WeakPolarHBondContact O-CB 3.17Å; L59-Y63 PolarHBondContact O-N 2.79Å; Y60-Y63 PolarHBondContact O-N 2.61Å; Y63-K65 PolarHBondContact O-N 2.84Å; Y63-E66 PolarHBondContact O-N 3.29Å; Y63-K67 HydrophobicContact CE1-CD 4.16Å; Y63-K67 HydrophobicContact CE2-CB 4.26Å; Y63-K67 VanDerWaalsContact O-CB 3.3Å; Y63-K67 WeakPolarHBondContact O-CB 3.25Å; Y63-K67 PolarHBondContact O-N 3.22Å; Y63-Q320 HydrophobicContact CE2-CB 3.86Å; Y63-Q320 PolarHBondContact OH-OE1 3.14Å; Y63-L321 HydrophobicContact CD1-CD2 3.68Å; Y63-L321 HydrophobicContact CD2-CD2 3.75Å; Y63-L321 HydrophobicContact CE1-CD2 3.92Å; Y63-L321 HydrophobicContact CE2-CD2 3.98Å; Y63-L321 HydrophobicContact CG-CD2 3.58Å; Y63-V324 HydrophobicContact CD2-CG2 3.86Å
64E86.6Confident74Confident95 Ų9578.8 Ų78.844%0.44441%0.406SS..Hα-helixtrans-60.8-31.4177.6-75.4-66.2116.300112.9Y60 I62 K67Y60-E64 WeakPolarHBondContact O-CB 3.08Å; Y60-E64 WeakPolarHBondContact O-CG 3.5Å; Y60-E64 PolarHBondContact O-N 3.01Å; I62-E64 VanDerWaalsContact C-N 3.32Å; I62-E64 PolarHBondContact O-N 3.21Å; E64-K67 IonicContact OE1-NZ 2.79Å; E64-K67 PolarHBondContact OE1-NZ 3.06Å; E64-K67 WeakPolarHBondContact OE2-CE 3.31Å; E64-K67 IonicContact OE2-NZ 2.61Å; E64-K67 PolarHBondContact OE2-NZ 2.74Å
65K85.2Confident74.6Confident160 Ų16081.1 Ų81.170%0.69642%0.421SS*.Hα-helixtrans-78.1-42.3175-174.8-177.1177.1-173.50112.2Q61 I62 Y63Q61-K65 PolarHBondContact O-N 3.27Å; I62-K65 WeakPolarHBondContact O-CB 3.49Å; I62-K65 PolarHBondContact O-N 2.61Å; Y63-K65 PolarHBondContact O-N 2.84Å
66E82.5Confident75.4Confident30 Ų3079.8 Ų79.814%0.1441%0.412CS..Hα-helixtrans-79.6-29.6-174.8-71.8-177.2179.900112.9I62 Y63 L68 Q69 I70 V324 H328I62-E66 HydrophobicContact CG2-CG 4.07Å; I62-E66 WeakPolarHBondContact CG2-OE1 3.34Å; I62-E66 WeakPolarHBondContact O-CG 3.32Å; I62-E66 PolarHBondContact O-N 2.03Å; Y63-E66 PolarHBondContact O-N 3.29Å; E66-L68 PolarHBondContact O-N 3.27Å; E66-Q69 WeakPolarHBondContact O-CA 3.41Å; E66-Q69 PolarHBondContact O-N 3.38Å; E66-I70 HydrophobicContact CB-CG1 4.42Å; E66-I70 WeakPolarHBondContact O-CG1 3.42Å; E66-I70 PolarHBondContact O-N 3.17Å; E66-V324 WeakPolarHBondContact OE2-CG2 3.46Å; E66-H328 IonicContact OE1-CE1 2.74Å; E66-H328 PolarHBondContact OE1-CE1 3.39Å
67K79.5Confident76.3Confident74 Ų7474.9 Ų74.932%0.32239%0.386SS..THydrogen-bonded Turntrans-54.9-29-173.670.5-179.5178.3-175.40114.6Y63 E64Y63-K67 HydrophobicContact CE1-CD 4.16Å; Y63-K67 HydrophobicContact CE2-CB 4.26Å; Y63-K67 VanDerWaalsContact O-CB 3.3Å; Y63-K67 WeakPolarHBondContact O-CB 3.25Å; Y63-K67 PolarHBondContact O-N 3.22Å; E64-K67 IonicContact OE1-NZ 2.79Å; E64-K67 PolarHBondContact OE1-NZ 3.06Å; E64-K67 WeakPolarHBondContact OE2-CE 3.31Å; E64-K67 IonicContact OE2-NZ 2.61Å; E64-K67 PolarHBondContact OE2-NZ 2.74Å
68L72.7Confident76.8Confident146 Ų14675.8 Ų75.876%0.76439%0.386SS*.THydrogen-bonded Turntrans-77.7-23.2176.6-63.1176.7000113E66E66-L68 PolarHBondContact O-N 3.27Å
69Q71.6Confident77Confident91 Ų9177.8 Ų77.843%0.42539%0.39SS..THydrogen-bonded Turntrans-99.3-20.7-177-65.1-175.3-3.200113.4E66 H71 S72 S73E66-Q69 WeakPolarHBondContact O-CA 3.41Å; E66-Q69 PolarHBondContact O-N 3.38Å; Q69-H71 PolarHBondContact O-N 3.44Å; Q69-H71 VanDerWaalsContact O-N 3.07Å; Q69-S72 PolarHBondContact O-N 3.5Å; Q69-S73 PolarHBondContact O-N 3.14Å; Q69-S73 VanDerWaalsContact O-N 3.16Å; Q69-S73 PolarHBondContact O-OG 3.38Å
70I66.2Low77.1Confident11 Ų1178.7 Ų78.76%0.05640%0.395CS..THydrogen-bonded Turntrans-50.1-38-174.4-83.1175.2000113.1E66 L74 V232E66-I70 HydrophobicContact CB-CG1 4.42Å; E66-I70 WeakPolarHBondContact O-CG1 3.42Å; E66-I70 PolarHBondContact O-N 3.17Å; I70-L74 HydrophobicContact CG1-CD1 4.04Å; I70-V232 HydrophobicContact CD1-CG1 4.34Å; I70-V232 HydrophobicContact CG2-CG1 3.23Å
71H60.8Low77.2Confident105 Ų10576.3 Ų76.349%0.48639%0.388SS..THydrogen-bonded Turntrans-87.5-4-175.9-68.5-61.4000115.4Q69 V232Q69-H71 PolarHBondContact O-N 3.44Å; Q69-H71 VanDerWaalsContact O-N 3.07Å; H71-V232 PolarHBondContact CE1-O 2.86Å; H71-V232 VanDerWaalsContact CE1-O 3.25Å; H71-V232 PolarHBondContact ND1-O 3.14Å
72S61.8Low77Confident107 Ų10770.9 Ų70.975%0.74836%0.362SS*.THydrogen-bonded Turntrans-138.3-20.2-171.658.20000117.1Q69Q69-S72 PolarHBondContact O-N 3.5Å
73S65.2Low76.7Confident74 Ų7469.3 Ų69.352%0.51735%0.354SS..THydrogen-bonded Turntrans-136.9-12.1-169.964.30000117Q69Q69-S73 PolarHBondContact O-N 3.14Å; Q69-S73 VanDerWaalsContact O-N 3.16Å; Q69-S73 PolarHBondContact O-OG 3.38Å
74L68.2Low75.9Confident45 Ų4574 Ų7424%0.23638%0.381CS..PPolyproline II helixtrans-80.6130.8-176.9-67.7174.5000111.4I70 K233I70-L74 HydrophobicContact CG1-CD1 4.04Å; L74-K233 PolarHBondContact O-NZ 3.03Å
75P68.2Low75Confident96 Ų9671.7 Ų71.762%0.62338%0.375SS*.PPolyproline II helixtrans-62.2146.1170.427.7-33.1000109.3
76P75.3Confident73.8Confident49 Ų4970.1 Ų70.132%0.31839%0.385SS..PPolyproline II helixtrans-63.4146.9174.931.6-33.7000109.7W78 D229P76-W78 WeakPolarHBondContact CB-O 3.41Å; P76-W78 PolarHBondContact O-N 3.07Å; P76-D229 WeakPolarHBondContact CA-OD2 3.23Å; P76-D229 VanDerWaalsContact CB-OD2 3.26Å; P76-D229 WeakPolarHBondContact CB-OD2 3.41Å
77L78.3Confident73.5Confident45 Ų4571.5 Ų71.524%0.23639%0.393CS..SBendtrans-64.4-31.1175.6-67.8-177.5000111.7I225 D229 R323 N327L77-I225 HydrophobicContact CB-CG2 4Å; L77-I225 HydrophobicContact CD1-CG2 3.25Å; L77-I225 HydrophobicContact CG-CG2 4.24Å; L77-D229 HydrophobicContact CB-CB 4.29Å; L77-D229 HydrophobicContact CD1-CB 4.29Å; L77-D229 HydrophobicContact CG-CB 4.21Å; L77-D229 PolarHBondContact N-OD2 3.34Å; L77-R323 VanDerWaalsContact CD1-NH1 3.26Å; L77-N327 HydrophobicContact CD2-CB 4.47Å; L77-N327 VanDerWaalsContact CD2-OD1 3.29Å; L77-N327 WeakPolarHBondContact CD2-OD1 3.45Å
78W82.6Confident73.5Confident72 Ų7269.7 Ų69.727%0.27338%0.384SS..SBendtrans-133.1135177.9-73.8103.4000110.2P76 I80 F211 F213 N222P76-W78 WeakPolarHBondContact CB-O 3.41Å; P76-W78 PolarHBondContact O-N 3.07Å; W78-I80 PolarHBondContact O-N 2.89Å; W78-F211 HydrophobicContact CB-CB 4.31Å; W78-F211 HydrophobicContact CB-CD1 3.61Å; W78-F211 HydrophobicContact CB-CE1 4.22Å; W78-F211 HydrophobicContact CB-CG 4.15Å; W78-F213 AromaticContact CD2-CD1 3.8Å; W78-F213 HydrophobicContact CD2-CD1 3.8Å; W78-F213 HydrophobicContact CD2-CE1 4.32Å; W78-F213 HydrophobicContact CE3-CB 4.32Å; W78-F213 AromaticContact CE3-CD1 3.75Å; W78-F213 HydrophobicContact CE3-CD1 3.75Å; W78-F213 HydrophobicContact CG-CD1 4.22Å; W78-F213 HydrophobicContact CG-CE1 4.31Å; W78-F213 HydrophobicContact CH2-CB 4.39Å; W78-F213 HydrophobicContact CZ3-CB 3.96Å; W78-F213 HydrophobicContact CZ3-CD1 4.17Å; W78-N222 HydrophobicContact CZ2-CB 3.83Å; W78-N222 VanDerWaalsContact CZ2-OD1 3.3Å; W78-N222 WeakPolarHBondContact CZ2-OD1 3.14Å
79K86.1Confident73.7Confident131 Ų13165.5 Ų65.557%0.5737%0.365SS*.  trans-66.7127.6174.4-178.6-178.3172.3-164.60109.3F211 D212K79-F211 CarbonylContact O-C 3.53Å; K79-F211 WeakPolarHBondContact O-CA 3.45Å; K79-D212 HydrophobicContact CB-CB 4.02Å; K79-D212 HydrophobicContact CD-CB 4.45Å; K79-D212 HydrophobicContact CG-CB 4.46Å; K79-D212 IonicContact NZ-OD2 2.75Å; K79-D212 PolarHBondContact O-N 3.26Å
80I86.5Confident74Confident22 Ų2266.6 Ų66.611%0.11337%0.37CS..EExtended strand (participates in β ladder)trans-82.7127.9170.3-57.9163.4000107.1W78 F82 Y88 I209 Q210 F211 F230 Y234W78-I80 PolarHBondContact O-N 2.89Å; I80-F82 WeakPolarHBondContact CG2-O 3.26Å; I80-Y88 HydrophobicContact CB-CE1 4.45Å; I80-Y88 HydrophobicContact CD1-CD1 4.29Å; I80-Y88 HydrophobicContact CD1-CD2 4.41Å; I80-Y88 HydrophobicContact CD1-CE1 4.07Å; I80-Y88 HydrophobicContact CD1-CE2 4.16Å; I80-Y88 HydrophobicContact CD1-CG 4.48Å; I80-Y88 HydrophobicContact CG2-CE1 3.77Å; I80-I209 HydrophobicContact CG2-CG2 4.49Å; I80-Q210 WeakPolarHBondContact CA-O 3.4Å; I80-F211 HydrophobicContact CD1-CE1 4.42Å; I80-F211 HydrophobicContact CG1-CD1 3.9Å; I80-F211 HydrophobicContact CG1-CE1 3.6Å; I80-F230 HydrophobicContact CD1-CD2 3.65Å; I80-F230 HydrophobicContact CD1-CE2 4.03Å; I80-Y234 HydrophobicContact CD1-CE2 3.81Å
81I86Confident74.4Confident44 Ų4466.4 Ų66.423%0.22637%0.369CS..EExtended strand (participates in β ladder)trans-105.3-19.3177.155.6170.9000111.8L84 K165 Q210 D212I81-L84 WeakPolarHBondContact O-CD2 3.37Å; I81-K165 HydrophobicContact CD1-CB 4.05Å; I81-Q210 HydrophobicContact CD1-CG 3.91Å; I81-Q210 HydrophobicContact CG1-CB 4.02Å; I81-Q210 HydrophobicContact CG1-CG 3.89Å; I81-Q210 WeakPolarHBondContact CG1-O 2.98Å; I81-Q210 PolarHBondContact N-O 3.21Å; I81-D212 HydrophobicContact CG2-CB 3.64Å
82F82.3Confident75Confident22 Ų2261.9 Ų61.910%0.09635%0.349CS..EExtended strand (participates in β ladder)trans-151.8136.7178.9-173.8-103.3000111.5I80 Y199 H202 I208 Q210I80-F82 WeakPolarHBondContact CG2-O 3.26Å; F82-Y199 HydrophobicContact CE2-CD2 4.02Å; F82-H202 HydrophobicContact CE1-CB 3.44Å; F82-H202 VanDerWaalsContact CE1-CB 3.44Å; F82-H202 AromaticContact CE1-CG 3.73Å; F82-H202 HydrophobicContact CZ-CB 3.31Å; F82-H202 AromaticContact CZ-CG 3.66Å; F82-I208 HydrophobicContact CD1-CB 4.46Å; F82-I208 HydrophobicContact CD1-CG2 3.89Å; F82-I208 HydrophobicContact CE1-CB 4.21Å; F82-I208 HydrophobicContact CE1-CG2 4Å; F82-Q210 HydrophobicContact CB-CB 3.72Å; F82-Q210 PolarHBondContact N-O 3.31Å; F82-Q210 PolarHBondContact O-N 3.15Å
83P79.6Confident75.1Confident5 Ų560.5 Ų60.53%0.03233%0.333CS..SBendcis-69158.1-4.133.9-37.8000111.6S85 Y88 H202 I208P83-S85 PolarHBondContact O-N 3.05Å; P83-Y88 HydrophobicContact CG-CE1 4.21Å; P83-Y88 PolarHBondContact O-OH 2.8Å; P83-Y88 VanDerWaalsContact O-OH 3.11Å; P83-H202 VanDerWaalsContact CB-NE2 3.33Å; P83-H202 WeakPolarHBondContact CB-NE2 3.5Å; P83-H202 VanDerWaalsContact CG-CE1 3.43Å; P83-H202 WeakPolarHBondContact CG-CE1 3.05Å; P83-I208 VanDerWaalsContact CD-O 3.3Å; P83-I208 WeakPolarHBondContact CD-O 3.3Å
84L69.9Low74.9Confident131 Ų13158.5 Ų58.569%0.68632%0.316SS*.  trans-72.911.9173.9-63.9170000112.4I81I81-L84 WeakPolarHBondContact O-CD2 3.37Å
85S67.3Low74.2Confident46 Ų4665.4 Ų65.432%0.32234%0.344SS..  trans-75148.5-172.877.40000112.2P83 Y88P83-S85 PolarHBondContact O-N 3.05Å; S85-Y88 VanDerWaalsContact O-CZ 3.29Å; S85-Y88 PolarHBondContact O-OH 3.45Å
86S58.9Low73.5Confident127 Ų12766.1 Ų66.189%0.88834%0.339SS*.SBendtrans-80.8-16.1172.852.30000113
87N76.5Confident72.3Confident59 Ų5971.8 Ų71.832%0.31636%0.355SS..  trans-112.272.3-175.3-159.82.9000113.5T89 E90N87-T89 PolarHBondContact O-N 3.42Å; N87-T89 PolarHBondContact OD1-N 3.11Å; N87-T89 PolarHBondContact OD1-OG1 3.31Å; N87-E90 WeakPolarHBondContact ND2-CG 3.46Å; N87-E90 PolarHBondContact ND2-OE1 3.38Å; N87-E90 PolarHBondContact O-N 3.28Å
88Y80.5Confident70.7Confident35 Ų3578.4 Ų78.414%0.13738%0.382CS..THydrogen-bonded Turntrans-63.2-20.4174.4-64.8-62.2000113.6I80 P83 S85 E90 Q91 I209 F230 Y234I80-Y88 HydrophobicContact CB-CE1 4.45Å; I80-Y88 HydrophobicContact CD1-CD1 4.29Å; I80-Y88 HydrophobicContact CD1-CD2 4.41Å; I80-Y88 HydrophobicContact CD1-CE1 4.07Å; I80-Y88 HydrophobicContact CD1-CE2 4.16Å; I80-Y88 HydrophobicContact CD1-CG 4.48Å; I80-Y88 HydrophobicContact CG2-CE1 3.77Å; P83-Y88 HydrophobicContact CG-CE1 4.21Å; P83-Y88 PolarHBondContact O-OH 2.8Å; P83-Y88 VanDerWaalsContact O-OH 3.11Å; S85-Y88 VanDerWaalsContact O-CZ 3.29Å; S85-Y88 PolarHBondContact O-OH 3.45Å; Y88-E90 VanDerWaalsContact C-N 3.28Å; Y88-E90 PolarHBondContact O-N 3.11Å; Y88-Q91 WeakPolarHBondContact O-CB 3.3Å; Y88-Q91 PolarHBondContact O-N 3.3Å; Y88-Q91 VanDerWaalsContact O-N 3.15Å; Y88-I209 HydrophobicContact CD1-CD1 4.37Å; Y88-F230 AromaticContact CD1-CE2 3.89Å; Y88-F230 HydrophobicContact CD1-CE2 3.89Å; Y88-F230 HydrophobicContact CG-CE2 4.08Å; Y88-Y234 HydrophobicContact CD2-CD1 4.27Å; Y88-Y234 AromaticContact CD2-CE1 3.71Å; Y88-Y234 HydrophobicContact CD2-CE1 3.71Å; Y88-Y234 HydrophobicContact CD2-CE2 4.04Å; Y88-Y234 AromaticContact CD2-CZ 3.57Å; Y88-Y234 HydrophobicContact CG-CD1 4.36Å; Y88-Y234 HydrophobicContact CG-CD2 4.32Å; Y88-Y234 HydrophobicContact CG-CE1 4.24Å; Y88-Y234 HydrophobicContact CG-CE2 4.19Å; Y88-Y234 HydrophobicContact CG-CG 4.39Å
89T76.1Confident68.9Low58 Ų5878.1 Ų78.136%0.35639%0.39SS..Hα-helixtrans-63.9-34.4-178.769.80000112.2N87 Q91 C92 L93N87-T89 PolarHBondContact O-N 3.42Å; N87-T89 PolarHBondContact OD1-N 3.11Å; N87-T89 PolarHBondContact OD1-OG1 3.31Å; T89-Q91 PolarHBondContact O-N 3.47Å; T89-C92 CarbonylContact O-C 3.53Å; T89-C92 WeakPolarHBondContact O-CA 3.46Å; T89-C92 WeakPolarHBondContact O-CB 3.27Å; T89-C92 PolarHBondContact O-N 3.48Å; T89-L93 WeakPolarHBondContact O-CG 3.38Å; T89-L93 PolarHBondContact O-N 3.02Å
90E76.8Confident66.8Low115 Ų11577.8 Ų77.854%0.53740%0.395SS..Hα-helixtrans-62.1-25177.5-75.6177.4-160.400113.6N87 Y88 C92 L93 R158N87-E90 WeakPolarHBondContact ND2-CG 3.46Å; N87-E90 PolarHBondContact ND2-OE1 3.38Å; N87-E90 PolarHBondContact O-N 3.28Å; Y88-E90 VanDerWaalsContact C-N 3.28Å; Y88-E90 PolarHBondContact O-N 3.11Å; E90-C92 VanDerWaalsContact C-N 3.25Å; E90-C92 PolarHBondContact O-N 3.39Å; E90-L93 HydrophobicContact CB-CD1 4.45Å; E90-L93 HydrophobicContact CG-CD1 3.97Å; E90-R158 PolarHBondContact O-NH1 3.49Å
91Q74.7Confident64.4Low7 Ų780.1 Ų80.13%0.03342%0.424CS..Hα-helixtrans-71.3-27.1175.1-56.6-164.939.400112Y88 T89 R158 L160 I209 F230Y88-Q91 WeakPolarHBondContact O-CB 3.3Å; Y88-Q91 PolarHBondContact O-N 3.3Å; Y88-Q91 VanDerWaalsContact O-N 3.15Å; T89-Q91 PolarHBondContact O-N 3.47Å; Q91-R158 WeakPolarHBondContact O-CG 3.48Å; Q91-R158 PolarHBondContact O-NE 3.46Å; Q91-L160 HydrophobicContact CB-CD2 4.08Å; Q91-I209 VanDerWaalsContact CD-CD1 3.48Å; Q91-F230 HydrophobicContact CB-CZ 4.08Å
92C75.2Confident62.1Low10 Ų1084.5 Ų84.57%0.06845%0.448CS..Hα-helixtrans-97.4-13.7177.1-640000113.7T89 E90 I94 C235T89-C92 CarbonylContact O-C 3.53Å; T89-C92 WeakPolarHBondContact O-CA 3.46Å; T89-C92 WeakPolarHBondContact O-CB 3.27Å; T89-C92 PolarHBondContact O-N 3.48Å; E90-C92 VanDerWaalsContact C-N 3.25Å; E90-C92 PolarHBondContact O-N 3.39Å; C92-I94 PolarHBondContact O-N 2.94Å; C92-C235 HydrophobicContact CB-CB 3.39Å; C92-C235 WeakPolarHBondContact CB-SG 3.45Å; C92-C235 WeakPolarHBondContact SG-CA 3.29Å; C92-C235 WeakPolarHBondContact SG-CB 3.45Å; C92-C235 PolarHBondContact SG-N 3.46Å; C92-C235 VanDerWaalsContact SG-N 3.4Å; C92-C235 CovalentContact SG-SG 2.03Å; C92-C235 PolarHBondContact SG-SG 3.31Å
93L62.2Low59.9Low78 Ų7890.8 Ų90.841%0.40848%0.483SS..  trans-61.7109.2-175.2-77.9179.4000110.3T89 E90 M236T89-L93 WeakPolarHBondContact O-CG 3.38Å; T89-L93 PolarHBondContact O-N 3.02Å; E90-L93 HydrophobicContact CB-CD1 4.45Å; E90-L93 HydrophobicContact CG-CD1 3.97Å; L93-M236 HydrophobicContact CD2-SD 4.5Å
94I61Low57.9Low31 Ų3197.7 Ų97.716%0.15952%0.519CS..  trans-91104.8168-60.6173.9000105.7C92 H96 D122 R158C92-I94 PolarHBondContact O-N 2.94Å; I94-H96 PolarHBondContact O-N 3.39Å; I94-D122 HydrophobicContact CD1-CB 3.62Å; I94-D122 HydrophobicContact CG2-CB 4.44Å; I94-D122 WeakPolarHBondContact CG2-OD1 3.29Å; I94-R158 HydrophobicContact CG1-CB 4.12Å
95K55Low56.5Low191 Ų19199.1 Ų99.183%0.8353%0.528SS*.  trans-65.298.3177.9-73.6-179.8179.7176.40108.5Y97K95-Y97 PolarHBondContact O-N 2.88Å
96H53.2Low54.9Low110 Ų110102.2 Ų102.251%0.50955%0.549SS..  trans-59120.2175.7-72-71.2000110.5I94 D122 T238I94-H96 PolarHBondContact O-N 3.39Å; H96-D122 IonicContact CE1-OD1 3.84Å; H96-D122 IonicContact CE1-OD2 3.06Å; H96-D122 PolarHBondContact CE1-OD2 2.92Å; H96-D122 IonicContact ND1-OD1 3.91Å; H96-D122 IonicContact ND1-OD2 3.85Å; H96-D122 IonicContact NE2-OD2 3.95Å; H96-T238 WeakPolarHBondContact NE2-CG2 3.29Å
97Y48.7Very low54Low168 Ų168103.7 Ų103.766%0.65955%0.547SS*.  trans-78.6125.5167.9-157.5-96.9000108.7K95 C99K95-Y97 PolarHBondContact O-N 2.88Å; Y97-C99 PolarHBondContact O-N 2.88Å; Y97-C99 VanDerWaalsContact O-N 3.16Å
98K45.3Very low51.9Low185 Ų185108.3 Ų108.380%0.80457%0.572SS**  trans-65.1114165.5-75.7-177.1178.6178.30107.2N100K98-N100 PolarHBondContact O-N 2.83Å
99C44.9Very low49.9Very low66 Ų66114.1 Ų114.145%0.44661%0.605SS.*  trans-64.5110.5171.4-57.10000108.5Y97 G101 C118Y97-C99 PolarHBondContact O-N 2.88Å; Y97-C99 VanDerWaalsContact O-N 3.16Å; C99-G101 PolarHBondContact O-N 2.75Å; C99-C118 HydrophobicContact CB-CB 3.4Å; C99-C118 VanDerWaalsContact CB-CB 3.4Å; C99-C118 WeakPolarHBondContact CB-SG 3.05Å; C99-C118 WeakPolarHBondContact SG-CB 3.49Å; C99-C118 CovalentContact SG-SG 2.01Å; C99-C118 PolarHBondContact SG-SG 2.74Å
100N42.6Very low47.8Very low124 Ų124117.1 Ų117.166%0.66363%0.629SS**  trans-65.5108.3175.3-89.9-4.8000109K98 N102K98-N100 PolarHBondContact O-N 2.83Å; N100-N102 VanDerWaalsContact C-N 3.27Å; N100-N102 PolarHBondContact O-N 2.75Å; N100-N102 VanDerWaalsContact O-N 3.11Å
101G35Very low45.8Very low71 Ų71116.6 Ų116.673%0.73264%0.638SS**  trans-77.678.6164.700000109.6C99 N103C99-G101 PolarHBondContact O-N 2.75Å; G101-N103 VanDerWaalsContact C-N 3.34Å; G101-N103 PolarHBondContact O-N 2.74Å
102N38Very low43.7Very low136 Ų136123.9 Ų123.973%0.72768%0.676SS**  trans-86.581.2166.3-79.55.3000108.7N100 N104N100-N102 VanDerWaalsContact C-N 3.27Å; N100-N102 PolarHBondContact O-N 2.75Å; N100-N102 VanDerWaalsContact O-N 3.11Å; N102-N104 VanDerWaalsContact C-N 3.28Å; N102-N104 PolarHBondContact O-N 3.34Å
103N36.6Very low41.9Very low154 Ų154133.3 Ų133.382%0.82472%0.716SS**  trans-87.275.7159.3-79.4-9.5000107.7G101G101-N103 VanDerWaalsContact C-N 3.34Å; G101-N103 PolarHBondContact O-N 2.74Å
104N38.2Very low40.4Very low150 Ų150139.1 Ų139.180%0.80274%0.741SS**  trans-147.768.6164.7-89.1-15.4000106.8N102N102-N104 VanDerWaalsContact C-N 3.28Å; N102-N104 PolarHBondContact O-N 3.34Å
105D40Very low39Very low161 Ų161142.8 Ų142.886%0.86177%0.77SS**  trans-154.887158.3-89.4-34.4000107.8N107D105-N107 PolarHBondContact O-N 2.64Å
106S34.2Very low38.1Very low111 Ų111138.9 Ų138.978%0.77677%0.767SS**  trans-6798.715646.30000107.5
107N39.3Very low37.6Very low157 Ų157143.2 Ų143.284%0.8478%0.784SS**  trans-166.6129.7145.6-89.1-30000111.2D105 D109D105-N107 PolarHBondContact O-N 2.64Å; N107-D109 PolarHBondContact O-N 2.71Å
108N33.4Very low37.5Very low156 Ų156138.9 Ų138.983%0.83478%0.777SS**  trans-36.6118.9175.7-62.1-37.3000115
109D36.8Very low38Very low157 Ų157134.5 Ų134.584%0.8476%0.76SS**  -158.6123.2128.5-112.8-19.3000111.8N107 S111N107-D109 PolarHBondContact O-N 2.71Å; D109-S111 PolarHBondContact O-N 2.95Å
110S32.5Very low39.4Very low121 Ų121133.6 Ų133.685%0.84676%0.757SS**  trans-80.294.1179.850.40000110.6
111S35.7Very low41.2Very low104 Ų104127.7 Ų127.773%0.72773%0.725SS**  trans-151.289.8160.768.60000112.8D109 F113D109-S111 PolarHBondContact O-N 2.95Å; S111-F113 PolarHBondContact O-N 3.33Å
112L30.4Very low43.8Very low161 Ų161124.4 Ų124.484%0.84369%0.691SS**SBendtrans5253.1134.1-145.3110000119.3
113F36.3Very low46.4Very low207 Ų207117.9 Ų117.991%0.90866%0.656SS**  trans-16470.9147.7-94.1-70.6000108.8S111 S115S111-F113 PolarHBondContact O-N 3.33Å; F113-S115 PolarHBondContact O-N 3.35Å
114Q31Very low49.2Very low200 Ų200111 Ų11194%0.93562%0.619SS**  trans-69.2116.7177.5-145.2161.34.300109.3S116Q114-S116 PolarHBondContact O-N 3.38Å
115S31.2Very low51.9Low108 Ų108103.9 Ų103.976%0.75558%0.581SS**  trans-44.8115.1-174.4560000113.9F113F113-S115 PolarHBondContact O-N 3.35Å
116S37.7Very low54.6Low110 Ų11096.3 Ų96.377%0.76954%0.54SS*.  trans-71.6131.4156.846.50000108.3Q114 C118Q114-S116 PolarHBondContact O-N 3.38Å; S116-C118 PolarHBondContact O-N 2.85Å
117K41.4Very low57.5Low200 Ų20091 Ų9187%0.8750%0.504SS*.  trans-38130.4171.5-76174.4174.1177.30109.7Q119K117-Q119 VanDerWaalsContact C-N 3.34Å; K117-Q119 PolarHBondContact O-N 3.32Å
118C47.1Very low60.2Low77 Ų7784.2 Ų84.252%0.5247%0.466SS..  trans-54.292.5-177.1-134.70000111.4C99 S116 A120C99-C118 HydrophobicContact CB-CB 3.4Å; C99-C118 VanDerWaalsContact CB-CB 3.4Å; C99-C118 WeakPolarHBondContact CB-SG 3.05Å; C99-C118 WeakPolarHBondContact SG-CB 3.49Å; C99-C118 CovalentContact SG-SG 2.01Å; C99-C118 PolarHBondContact SG-SG 2.74Å; S116-C118 PolarHBondContact O-N 2.85Å; C118-A120 PolarHBondContact O-N 3.25Å
119Q56.3Low63.2Low94 Ų9477 Ų7744%0.43943%0.428SS..  trans-85.996.3171.9-16617532.100105.9K117 I121 K240K117-Q119 VanDerWaalsContact C-N 3.34Å; K117-Q119 PolarHBondContact O-N 3.32Å; Q119-I121 PolarHBondContact O-N 2.74Å; Q119-I121 VanDerWaalsContact O-N 3.14Å; Q119-K240 HydrophobicContact CG-CD 4.22Å
120A73.8Confident65.9Low46 Ų4672 Ų7238%0.3840%0.399SS..  trans-60.7117176.200000108.3C118C118-A120 PolarHBondContact O-N 3.25Å
121I80.9Confident68.7Low1 Ų166.3 Ų66.31%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-108129.6171.4-63.5174.6000106.1Q119 I123 V155 S156 K240 F242 L261 R262Q119-I121 PolarHBondContact O-N 2.74Å; Q119-I121 VanDerWaalsContact O-N 3.14Å; I121-I123 HydrophobicContact CG2-CG1 4.06Å; I121-V155 HydrophobicContact CB-CG1 4.44Å; I121-V155 HydrophobicContact CB-CG2 4.32Å; I121-V155 HydrophobicContact CG2-CG1 4.45Å; I121-V155 WeakPolarHBondContact O-CG1 3.43Å; I121-S156 PolarHBondContact O-N 3.36Å; I121-S156 VanDerWaalsContact O-N 3.15Å; I121-K240 HydrophobicContact CG1-CD 4.03Å; I121-K240 HydrophobicContact CG1-CG 4.29Å; I121-F242 HydrophobicContact CG2-CD2 3.93Å; I121-F242 HydrophobicContact CG2-CE2 4.2Å; I121-L261 HydrophobicContact CD1-CB 4.36Å; I121-L261 HydrophobicContact CG2-CB 4.48Å; I121-L261 HydrophobicContact CG2-CD1 4.33Å; I121-R262 HydrophobicContact CD1-CB 4.42Å; I121-R262 HydrophobicContact CD1-CG 3.54Å
122D88.7Confident71.4Confident1 Ų165.1 Ų65.11%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-108.8131.6176.3-64.4-39.2000108.9I94 H96 S156 T238 K240 S241 F242I94-D122 HydrophobicContact CD1-CB 3.62Å; I94-D122 HydrophobicContact CG2-CB 4.44Å; I94-D122 WeakPolarHBondContact CG2-OD1 3.29Å; H96-D122 IonicContact CE1-OD1 3.84Å; H96-D122 IonicContact CE1-OD2 3.06Å; H96-D122 PolarHBondContact CE1-OD2 2.92Å; H96-D122 IonicContact ND1-OD1 3.91Å; H96-D122 IonicContact ND1-OD2 3.85Å; H96-D122 IonicContact NE2-OD2 3.95Å; D122-S156 WeakPolarHBondContact CA-O 3.08Å; D122-T238 VanDerWaalsContact OD2-CB 3.22Å; D122-T238 WeakPolarHBondContact OD2-CB 3.28Å; D122-T238 WeakPolarHBondContact OD2-CG2 3.45Å; D122-T238 PolarHBondContact OD2-OG1 2.91Å; D122-K240 PolarHBondContact N-O 2.76Å; D122-S241 CarbonylContact O-C 3.57Å; D122-S241 WeakPolarHBondContact O-CA 3.24Å; D122-F242 PolarHBondContact O-N 2.91Å
123I93.4Very high74.5Confident0 Ų060.1 Ų60.10%032%0.319CS..EExtended strand (participates in β ladder)trans-123.8122.1-179.2-47.2178.6000109.6I121 L125 Y150 V155 S156 I157 R158 F242 L244 L257 L261I121-I123 HydrophobicContact CG2-CG1 4.06Å; I123-L125 HydrophobicContact CG2-CD2 3.74Å; I123-L125 HydrophobicContact CG2-CG 4.33Å; I123-Y150 HydrophobicContact CD1-CD1 4.2Å; I123-Y150 HydrophobicContact CD1-CE1 4.32Å; I123-V155 HydrophobicContact CD1-CG1 3.54Å; I123-V155 HydrophobicContact CG1-CG1 3.8Å; I123-S156 PolarHBondContact N-O 2.94Å; I123-I157 HydrophobicContact CB-CB 4.37Å; I123-I157 HydrophobicContact CB-CG2 3.76Å; I123-I157 HydrophobicContact CD1-CG2 4.07Å; I123-I157 HydrophobicContact CG1-CG2 4.15Å; I123-I157 CarbonylContact O-C 3.59Å; I123-I157 WeakPolarHBondContact O-CA 3.35Å; I123-R158 PolarHBondContact O-N 3.29Å; I123-F242 CarbonylContact C-O 3.58Å; I123-F242 WeakPolarHBondContact CA-O 3.48Å; I123-L244 HydrophobicContact CG2-CD1 3.42Å; I123-L244 VanDerWaalsContact CG2-CD1 3.42Å; I123-L257 HydrophobicContact CD1-CD2 4.15Å; I123-L261 HydrophobicContact CD1-CD1 3.48Å; I123-L261 VanDerWaalsContact CD1-CD1 3.48Å; I123-L261 HydrophobicContact CG1-CD1 3.83Å
124L94.2Very high77.3Confident10 Ų1052.3 Ų52.35%0.05229%0.285CS..EExtended strand (participates in β ladder)trans-100.7109.1170.7-172.461.2000109.3I126 R158 L160 I231 F242 T243 L244L124-I126 HydrophobicContact CD1-CD1 4.12Å; L124-I126 HydrophobicContact CD2-CD1 3.78Å; L124-I126 HydrophobicContact CD2-CG1 4.42Å; L124-I126 HydrophobicContact CG-CD1 3.57Å; L124-I126 HydrophobicContact CG-CG1 4.11Å; L124-R158 WeakPolarHBondContact CA-O 3.42Å; L124-R158 HydrophobicContact CD1-CB 3.83Å; L124-R158 HydrophobicContact CD1-CG 4.09Å; L124-L160 HydrophobicContact CD1-CD1 3.94Å; L124-L160 HydrophobicContact CD1-CG 4.19Å; L124-I231 HydrophobicContact CD2-CB 4.36Å; L124-I231 HydrophobicContact CD2-CD1 3.95Å; L124-I231 HydrophobicContact CD2-CG1 3.63Å; L124-I231 HydrophobicContact CD2-CG2 3.88Å; L124-F242 PolarHBondContact N-O 2.66Å; L124-T243 CarbonylContact O-C 3.52Å; L124-T243 WeakPolarHBondContact O-CA 3.36Å; L124-L244 PolarHBondContact O-N 3.03Å
125L96Very high80.4Confident0 Ų048.6 Ų48.60%027%0.271CS..EExtended strand (participates in β ladder)trans-89108.6175.4-57.4-179.8000108.8I123 W144 I157 R158 I159 L160 L244 L246 L252I123-L125 HydrophobicContact CG2-CD2 3.74Å; I123-L125 HydrophobicContact CG2-CG 4.33Å; L125-W144 HydrophobicContact CD1-CZ3 4.34Å; L125-I157 HydrophobicContact CD1-CD1 3.82Å; L125-R158 PolarHBondContact N-O 3.46Å; L125-I159 HydrophobicContact CB-CG1 4.46Å; L125-I159 CarbonylContact O-C 3.53Å; L125-I159 WeakPolarHBondContact O-CA 3.22Å; L125-L160 PolarHBondContact O-N 3.14Å; L125-L244 HydrophobicContact CD2-CB 3.96Å; L125-L244 HydrophobicContact CD2-CD1 4.38Å; L125-L244 HydrophobicContact CD2-CD2 4.03Å; L125-L244 HydrophobicContact CD2-CG 4.35Å; L125-L246 HydrophobicContact CD2-CD1 4.21Å; L125-L252 HydrophobicContact CD1-CD2 4.46Å; L125-L252 HydrophobicContact CD2-CD2 3.89Å
126I95.8Very high83.6Confident1 Ų144 Ų441%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-103.7115.3177.3-54.6-62.7000107.9L124 L160 I162 W224 I231 T243 L244 L245 L246L124-I126 HydrophobicContact CD1-CD1 4.12Å; L124-I126 HydrophobicContact CD2-CD1 3.78Å; L124-I126 HydrophobicContact CD2-CG1 4.42Å; L124-I126 HydrophobicContact CG-CD1 3.57Å; L124-I126 HydrophobicContact CG-CG1 4.11Å; I126-L160 HydrophobicContact CD1-CB 4Å; I126-L160 HydrophobicContact CD1-CD1 3.91Å; I126-L160 HydrophobicContact CD1-CG 4.4Å; I126-I162 HydrophobicContact CG2-CD1 4.15Å; I126-I162 HydrophobicContact CG2-CG1 3.51Å; I126-W224 HydrophobicContact CG2-CZ3 3.92Å; I126-I231 HydrophobicContact CD1-CD1 3.67Å; I126-I231 HydrophobicContact CD1-CG1 4.05Å; I126-I231 HydrophobicContact CG1-CD1 3.61Å; I126-T243 HydrophobicContact CG1-CG2 3.83Å; I126-L244 PolarHBondContact N-O 3.13Å; I126-L245 HydrophobicContact CB-CD2 3.82Å; I126-L245 HydrophobicContact CG1-CD2 4.07Å; I126-L245 HydrophobicContact CG2-CD2 4.1Å; I126-L246 PolarHBondContact O-N 2.82Å
127I96.7Very high86.5Confident0 Ų038.7 Ų38.70%020%0.201CC..EExtended strand (participates in β ladder)trans-118.1113.9-171.7-55.6169.7000108.7S129 I140 W144 I159 L160 F161 I162 L246 D248I127-S129 PolarHBondContact O-N 3.05Å; I127-I140 HydrophobicContact CD1-CD1 4.42Å; I127-I140 HydrophobicContact CD1-CG2 3.85Å; I127-I140 HydrophobicContact CG2-CD1 4.26Å; I127-W144 HydrophobicContact CD1-CH2 3.51Å; I127-W144 HydrophobicContact CD1-CZ3 3.9Å; I127-W144 HydrophobicContact CG1-CH2 4.15Å; I127-I159 HydrophobicContact CD1-CD1 3.5Å; I127-I159 HydrophobicContact CD1-CG1 3.64Å; I127-L160 PolarHBondContact N-O 3.46Å; I127-F161 HydrophobicContact CB-CD1 3.74Å; I127-F161 HydrophobicContact CB-CE1 3.96Å; I127-F161 HydrophobicContact CD1-CD1 4.16Å; I127-F161 HydrophobicContact CD1-CE1 3.58Å; I127-F161 HydrophobicContact CD1-CZ 4.04Å; I127-F161 HydrophobicContact CG1-CE1 4.39Å; I127-F161 HydrophobicContact CG2-CD1 3.85Å; I127-F161 HydrophobicContact CG2-CE1 3.88Å; I127-F161 CarbonylContact O-C 3.42Å; I127-F161 WeakPolarHBondContact O-CA 3.35Å; I127-I162 PolarHBondContact O-N 2.83Å; I127-L246 CarbonylContact C-O 3.48Å; I127-L246 VanDerWaalsContact CA-O 3.31Å; I127-L246 WeakPolarHBondContact CA-O 3.36Å; I127-D248 HydrophobicContact CG2-CB 3.74Å
128R95.5Very high89.2Confident15 Ų1531.4 Ų31.46%0.05717%0.171CC..EExtended strand (participates in β ladder)trans-67.5123.4168.8-64.1-170.6-52.1-173.20.7108.3K223 W224 L246 D247 D248 D335R128-K223 HydrophobicContact CB-CD 4.01Å; R128-K223 HydrophobicContact CG-CB 3.99Å; R128-K223 HydrophobicContact CG-CD 3.98Å; R128-W224 VanDerWaalsContact CD-CE2 3.43Å; R128-W224 VanDerWaalsContact CD-CZ2 3.47Å; R128-W224 HydrophobicContact CG-CD2 4.31Å; R128-W224 HydrophobicContact CG-CE3 4.24Å; R128-W224 HydrophobicContact CG-CH2 3.54Å; R128-W224 HydrophobicContact CG-CZ2 3.7Å; R128-W224 HydrophobicContact CG-CZ3 3.83Å; R128-W224 VanDerWaalsContact NE-CZ2 3.32Å; R128-L246 PolarHBondContact N-O 2.75Å; R128-D247 IonicContact CZ-OD1 3.94Å; R128-D247 IonicContact NE-OD1 2.75Å; R128-D247 PolarHBondContact NE-OD1 3.21Å; R128-D247 IonicContact NH2-OD1 2.75Å; R128-D247 PolarHBondContact NH2-OD1 3.14Å; R128-D247 IonicContact NH2-OD2 2.64Å; R128-D247 PolarHBondContact NH2-OD2 3.37Å; R128-D248 WeakPolarHBondContact O-CB 3.26Å; R128-D248 PolarHBondContact O-N 2.84Å; R128-D335 IonicContact CZ-OD2 2.83Å; R128-D335 IonicContact NH1-OD2 3.72Å; R128-D335 PolarHBondContact NH1-OD2 3.06Å; R128-D335 IonicContact NH2-OD2 3.81Å
129S95.5Very high91.6Very high3 Ų327.8 Ų27.82%0.02115%0.147CC..  trans-136.4169.4176.9-172.30000109.5I127 R137 I162 L163 K223 D248I127-S129 PolarHBondContact O-N 3.05Å; S129-R137 WeakPolarHBondContact OG-CG 3.38Å; S129-R137 PolarHBondContact OG-NH1 3.39Å; S129-I162 PolarHBondContact N-O 3.24Å; S129-I162 VanDerWaalsContact O-O 3.06Å; S129-L163 VanDerWaalsContact O-CD2 3.22Å; S129-L163 WeakPolarHBondContact O-CD2 3.44Å; S129-K223 PolarHBondContact O-NZ 3.33Å; S129-D248 VanDerWaalsContact CA-OD2 3.26Å; S129-D248 WeakPolarHBondContact CA-OD2 3.45Å; S129-D248 VanDerWaalsContact CB-OD2 3.24Å; S129-D248 WeakPolarHBondContact CB-OD2 3.24Å; S129-D248 PolarHBondContact OG-OD2 3.07Å
130H93.4Very high93.6Very high53 Ų5323.3 Ų23.325%0.24513%0.126CC..  trans-108.2152177.9-174.5-97.5000110.8N132 N133 R137 D215H130-N132 PolarHBondContact ND1-N 2.85Å; H130-N132 PolarHBondContact O-N 2.94Å; H130-N133 HydrophobicContact CB-CB 4.44Å; H130-N133 WeakPolarHBondContact O-CB 3.43Å; H130-N133 PolarHBondContact O-N 3.08Å; H130-R137 PolarHBondContact O-NH1 3.23Å; H130-D215 VanDerWaalsContact CD2-CG 3.48Å; H130-D215 IonicContact CD2-OD1 3.2Å; H130-D215 IonicContact CD2-OD2 3.69Å
131V91.7Very high94.7Very high1 Ų122.3 Ų22.31%0.00611%0.113CC..THydrogen-bonded Turntrans-51.3-33.3-178.1-65.40000113.5F134 R137 L163 G164 Q166 V194 L198V131-F134 WeakPolarHBondContact O-CE2 3.44Å; V131-F134 VanDerWaalsContact O-CZ 3.22Å; V131-F134 WeakPolarHBondContact O-CZ 3.34Å; V131-R137 PolarHBondContact O-NH2 3.25Å; V131-L163 HydrophobicContact CG1-CB 4.4Å; V131-L163 HydrophobicContact CG1-CD1 4.46Å; V131-G164 WeakPolarHBondContact CG1-O 3.29Å; V131-Q166 HydrophobicContact CG2-CB 4.29Å; V131-V194 HydrophobicContact CB-CG1 3.8Å; V131-V194 HydrophobicContact CG2-CG1 4.03Å; V131-L198 HydrophobicContact CB-CD1 4.02Å; V131-L198 HydrophobicContact CG1-CD1 3.94Å
132N91.9Very high95.5Very high79 Ų7927.8 Ų27.842%0.42214%0.136SC..THydrogen-bonded Turntrans-84.2-9.9-179.7-63.8-26.8000115H130 F134 V194H130-N132 PolarHBondContact ND1-N 2.85Å; H130-N132 PolarHBondContact O-N 2.94Å; N132-F134 WeakPolarHBondContact O-CD2 3.1Å; N132-F134 PolarHBondContact O-N 2.82Å; N132-V194 WeakPolarHBondContact OD1-CG2 3.46Å
133N95.1Very high95.9Very high57 Ų5727.8 Ų27.831%0.30514%0.136SC..  trans-84.241.1-171.9-71.46.2000113.4H130 N135 Q136 R137 D248H130-N133 HydrophobicContact CB-CB 4.44Å; H130-N133 WeakPolarHBondContact O-CB 3.43Å; H130-N133 PolarHBondContact O-N 3.08Å; N133-N135 PolarHBondContact O-N 2.97Å; N133-Q136 HydrophobicContact CB-CB 3.91Å; N133-Q136 WeakPolarHBondContact O-CB 3.29Å; N133-Q136 PolarHBondContact O-N 3.4Å; N133-Q136 VanDerWaalsContact O-N 3.14Å; N133-R137 WeakPolarHBondContact O-CG 3.43Å; N133-R137 PolarHBondContact O-N 2.87Å; N133-D248 WeakPolarHBondContact CB-OD2 3.47Å; N133-D248 PolarHBondContact ND2-OD2 2.85Å
134F96.1Very high96.1Very high43 Ų4327.8 Ų27.819%0.18914%0.136CC..Hα-helixtrans-54.9-49.8-178.7-63.7-83.7000112.5V131 N132 Q136 R137 D138 V194 K197 L198 E201V131-F134 WeakPolarHBondContact O-CE2 3.44Å; V131-F134 VanDerWaalsContact O-CZ 3.22Å; V131-F134 WeakPolarHBondContact O-CZ 3.34Å; N132-F134 WeakPolarHBondContact O-CD2 3.1Å; N132-F134 PolarHBondContact O-N 2.82Å; F134-Q136 VanDerWaalsContact C-N 3.25Å; F134-Q136 PolarHBondContact O-N 3.26Å; F134-R137 PolarHBondContact O-N 3.06Å; F134-D138 WeakPolarHBondContact O-CB 3.29Å; F134-D138 PolarHBondContact O-N 2.87Å; F134-V194 HydrophobicContact CE2-CG1 4.22Å; F134-V194 HydrophobicContact CZ-CG1 4.08Å; F134-K197 HydrophobicContact CD1-CB 4.36Å; F134-K197 HydrophobicContact CE1-CB 3.54Å; F134-K197 HydrophobicContact CE2-CB 4.17Å; F134-K197 HydrophobicContact CE2-CD 4.29Å; F134-K197 HydrophobicContact CZ-CB 3.42Å; F134-K197 VanDerWaalsContact CZ-CB 3.42Å; F134-K197 HydrophobicContact CZ-CD 4.37Å; F134-L198 HydrophobicContact CE1-CD2 3.73Å; F134-L198 HydrophobicContact CE1-CG 3.93Å; F134-L198 HydrophobicContact CZ-CD2 4Å; F134-L198 HydrophobicContact CZ-CG 3.87Å; F134-E201 WeakPolarHBondContact CD1-OE2 3.49Å; F134-E201 WeakPolarHBondContact CE1-OE2 3.3Å
135N97Very high96.2Very high122 Ų12227.4 Ų27.465%0.65214%0.135SC*.Hα-helixtrans-64.2-32.8-179.7-65.2-18000112.1N133 A139 P381N133-N135 PolarHBondContact O-N 2.97Å; N135-A139 WeakPolarHBondContact O-CB 3.35Å; N135-A139 PolarHBondContact O-N 3.41Å; N135-P381 HydrophobicContact CB-CG 3.84Å
136Q97.6Very high96.2Very high10 Ų1029.1 Ų29.15%0.04714%0.144CC..Hα-helixtrans-66.4-50.2177.1-162.567.219.600110.5N133 F134 D138 A139 I140 D248 Y378 N379 P381N133-Q136 HydrophobicContact CB-CB 3.91Å; N133-Q136 WeakPolarHBondContact O-CB 3.29Å; N133-Q136 PolarHBondContact O-N 3.4Å; N133-Q136 VanDerWaalsContact O-N 3.14Å; F134-Q136 VanDerWaalsContact C-N 3.25Å; F134-Q136 PolarHBondContact O-N 3.26Å; Q136-D138 VanDerWaalsContact C-N 3.33Å; Q136-D138 PolarHBondContact O-N 3.09Å; Q136-A139 PolarHBondContact O-N 3.25Å; Q136-I140 HydrophobicContact CG-CD1 4.47Å; Q136-I140 VanDerWaalsContact O-CG1 3.3Å; Q136-I140 WeakPolarHBondContact O-CG1 3.28Å; Q136-I140 PolarHBondContact O-N 3.32Å; Q136-D248 HydrophobicContact CG-CB 3.82Å; Q136-D248 VanDerWaalsContact CG-O 3.24Å; Q136-D248 WeakPolarHBondContact CG-O 3.06Å; Q136-D248 PolarHBondContact NE2-O 3.41Å; Q136-Y378 PolarHBondContact NE2-O 3.42Å; Q136-N379 PolarHBondContact OE1-O 2.97Å; Q136-P381 VanDerWaalsContact OE1-CG 3.24Å
137R98.1Very high96Very high0 Ų033.9 Ų33.90%017%0.166CC..Hα-helixtrans-60.2-43.5177.7-64.2-167.3-71.7-824.2111.7S129 H130 V131 N133 F134 I140 R141 F161 E201S129-R137 WeakPolarHBondContact OG-CG 3.38Å; S129-R137 PolarHBondContact OG-NH1 3.39Å; H130-R137 PolarHBondContact O-NH1 3.23Å; V131-R137 PolarHBondContact O-NH2 3.25Å; N133-R137 WeakPolarHBondContact O-CG 3.43Å; N133-R137 PolarHBondContact O-N 2.87Å; F134-R137 PolarHBondContact O-N 3.06Å; R137-I140 PolarHBondContact O-N 3.12Å; R137-R141 WeakPolarHBondContact O-CG 3.4Å; R137-R141 PolarHBondContact O-N 2.84Å; R137-F161 HydrophobicContact CB-CD1 4.17Å; R137-F161 HydrophobicContact CB-CD2 4.27Å; R137-F161 HydrophobicContact CB-CE1 3.83Å; R137-F161 HydrophobicContact CB-CE2 3.94Å; R137-F161 HydrophobicContact CB-CG 4.36Å; R137-F161 HydrophobicContact CB-CZ 3.68Å; R137-F161 HydrophobicContact CG-CB 4.48Å; R137-F161 HydrophobicContact CG-CD1 3.49Å; R137-F161 VanDerWaalsContact CG-CD1 3.49Å; R137-F161 HydrophobicContact CG-CD2 4.18Å; R137-F161 HydrophobicContact CG-CE1 3.57Å; R137-F161 HydrophobicContact CG-CE2 4.25Å; R137-F161 HydrophobicContact CG-CG 3.79Å; R137-F161 HydrophobicContact CG-CZ 3.95Å; R137-E201 IonicContact CZ-OE1 2.74Å; R137-E201 IonicContact CZ-OE2 2.73Å; R137-E201 IonicContact NE-OE1 3.59Å; R137-E201 PolarHBondContact NE-OE1 3.42Å; R137-E201 IonicContact NE-OE2 2.65Å; R137-E201 PolarHBondContact NE-OE2 2.9Å; R137-E201 IonicContact NH2-OE1 2.76Å; R137-E201 IonicContact NH2-OE2 3.11Å; R137-E201 PolarHBondContact NH2-OE2 3.32Å
138D97.9Very high95.8Very high46 Ų4637.1 Ų37.125%0.24618%0.181CC..Hα-helixtrans-62.5-44.4176.3-178.961.9000112.6F134 Q136 I140 R141 K142F134-D138 WeakPolarHBondContact O-CB 3.29Å; F134-D138 PolarHBondContact O-N 2.87Å; Q136-D138 VanDerWaalsContact C-N 3.33Å; Q136-D138 PolarHBondContact O-N 3.09Å; D138-I140 VanDerWaalsContact C-N 3.31Å; D138-I140 PolarHBondContact O-N 3.13Å; D138-R141 PolarHBondContact O-N 2.99Å; D138-K142 VanDerWaalsContact CG-NZ 3.28Å; D138-K142 WeakPolarHBondContact O-CB 3.47Å; D138-K142 WeakPolarHBondContact O-CG 3.36Å; D138-K142 PolarHBondContact O-N 2.86Å; D138-K142 WeakPolarHBondContact OD1-CE 3.31Å; D138-K142 IonicContact OD1-NZ 3.72Å; D138-K142 PolarHBondContact OD1-NZ 3.08Å; D138-K142 VanDerWaalsContact OD1-NZ 3.13Å; D138-K142 WeakPolarHBondContact OD2-CD 3.47Å; D138-K142 VanDerWaalsContact OD2-CE 3.29Å; D138-K142 WeakPolarHBondContact OD2-CE 3Å; D138-K142 IonicContact OD2-NZ 3.65Å; D138-K142 PolarHBondContact OD2-NZ 3.35Å
139A98.2Very high95.8Very high1 Ų136.4 Ų36.41%0.00818%0.179CC..Hα-helixtrans-60.4-40.9175.500000112.1N135 Q136 K142 T143 P381 H385N135-A139 WeakPolarHBondContact O-CB 3.35Å; N135-A139 PolarHBondContact O-N 3.41Å; Q136-A139 PolarHBondContact O-N 3.25Å; A139-K142 PolarHBondContact O-N 2.8Å; A139-T143 WeakPolarHBondContact O-CB 3.43Å; A139-T143 WeakPolarHBondContact O-CG2 3.49Å; A139-T143 PolarHBondContact O-N 3.04Å; A139-T143 VanDerWaalsContact O-N 3.08Å; A139-T143 PolarHBondContact O-OG1 3.3Å; A139-P381 HydrophobicContact CB-CB 3.75Å; A139-H385 WeakPolarHBondContact CB-NE2 3.44Å
140I98.3Very high95.7Very high0 Ų036.3 Ų36.30%018%0.178CC..Hα-helixtrans-61.3-51.6174.6-67.2169000110.8I127 Q136 R137 D138 K142 T143 W144 G145 I159 F161 D248 I384I127-I140 HydrophobicContact CD1-CD1 4.42Å; I127-I140 HydrophobicContact CD1-CG2 3.85Å; I127-I140 HydrophobicContact CG2-CD1 4.26Å; Q136-I140 HydrophobicContact CG-CD1 4.47Å; Q136-I140 VanDerWaalsContact O-CG1 3.3Å; Q136-I140 WeakPolarHBondContact O-CG1 3.28Å; Q136-I140 PolarHBondContact O-N 3.32Å; R137-I140 PolarHBondContact O-N 3.12Å; D138-I140 VanDerWaalsContact C-N 3.31Å; D138-I140 PolarHBondContact O-N 3.13Å; I140-K142 PolarHBondContact O-N 3.07Å; I140-T143 CarbonylContact O-C 3.58Å; I140-T143 PolarHBondContact O-N 3.02Å; I140-W144 HydrophobicContact CB-CH2 4.44Å; I140-W144 HydrophobicContact CB-CZ2 4.01Å; I140-W144 HydrophobicContact CD1-CH2 4.09Å; I140-W144 HydrophobicContact CD1-CZ2 3.59Å; I140-W144 HydrophobicContact CG1-CH2 4.17Å; I140-W144 HydrophobicContact CG1-CZ2 3.41Å; I140-W144 VanDerWaalsContact CG1-CZ2 3.41Å; I140-W144 HydrophobicContact CG2-CD2 3.99Å; I140-W144 HydrophobicContact CG2-CE3 3.97Å; I140-W144 HydrophobicContact CG2-CH2 3.45Å; I140-W144 VanDerWaalsContact CG2-CH2 3.45Å; I140-W144 HydrophobicContact CG2-CZ2 3.47Å; I140-W144 VanDerWaalsContact CG2-CZ2 3.47Å; I140-W144 HydrophobicContact CG2-CZ3 3.7Å; I140-G145 VanDerWaalsContact O-CA 3.29Å; I140-G145 WeakPolarHBondContact O-CA 3.4Å; I140-G145 PolarHBondContact O-N 3.33Å; I140-I159 HydrophobicContact CG2-CD1 3.74Å; I140-F161 HydrophobicContact CB-CE1 4.46Å; I140-F161 HydrophobicContact CB-CZ 4.18Å; I140-F161 HydrophobicContact CD1-CE1 3.92Å; I140-F161 HydrophobicContact CD1-CZ 4.47Å; I140-F161 HydrophobicContact CG2-CE1 4.41Å; I140-F161 HydrophobicContact CG2-CZ 4.08Å; I140-D248 HydrophobicContact CD1-CB 3.95Å; I140-D248 WeakPolarHBondContact CD1-O 3.43Å; I140-I384 HydrophobicContact CG1-CD1 4.01Å
141R97.6Very high95.6Very high26 Ų2640.5 Ų40.510%0.09820%0.195CC..Hα-helixtrans-55.3-40.2178.8-71.3177.9-169.61100.6112R137 D138 T143 N146 F161 E201 H205 D207R137-R141 WeakPolarHBondContact O-CG 3.4Å; R137-R141 PolarHBondContact O-N 2.84Å; D138-R141 PolarHBondContact O-N 2.99Å; R141-T143 VanDerWaalsContact C-N 3.34Å; R141-N146 WeakPolarHBondContact O-CA 3.19Å; R141-N146 PolarHBondContact O-N 3.26Å; R141-F161 HydrophobicContact CG-CE2 4.07Å; R141-F161 HydrophobicContact CG-CZ 4.34Å; R141-E201 IonicContact CZ-OE1 2.66Å; R141-E201 IonicContact NH1-OE1 3.13Å; R141-E201 PolarHBondContact NH1-OE1 2.91Å; R141-E201 IonicContact NH2-OE1 3.61Å; R141-E201 PolarHBondContact NH2-OE1 2.87Å; R141-H205 VanDerWaalsContact CZ-CD2 3.5Å; R141-D207 IonicContact CZ-OD1 3.61Å; R141-D207 IonicContact CZ-OD2 3.41Å; R141-D207 IonicContact NE-OD1 2.69Å; R141-D207 IonicContact NE-OD2 2.78Å; R141-D207 PolarHBondContact NE-OD2 2.85Å; R141-D207 IonicContact NH2-OD1 2.8Å; R141-D207 PolarHBondContact NH2-OD1 3.4Å; R141-D207 IonicContact NH2-OD2 3.18Å; R141-D207 PolarHBondContact NH2-OD2 2.86Å
142K96.6Very high95.6Very high116 Ų11643.3 Ų43.350%0.50421%0.21SC..Hα-helixtrans-78.7-13.4-179.2-72173.2177166.40114.2D138 A139 I140D138-K142 VanDerWaalsContact CG-NZ 3.28Å; D138-K142 WeakPolarHBondContact O-CB 3.47Å; D138-K142 WeakPolarHBondContact O-CG 3.36Å; D138-K142 PolarHBondContact O-N 2.86Å; D138-K142 WeakPolarHBondContact OD1-CE 3.31Å; D138-K142 IonicContact OD1-NZ 3.72Å; D138-K142 PolarHBondContact OD1-NZ 3.08Å; D138-K142 VanDerWaalsContact OD1-NZ 3.13Å; D138-K142 WeakPolarHBondContact OD2-CD 3.47Å; D138-K142 VanDerWaalsContact OD2-CE 3.29Å; D138-K142 WeakPolarHBondContact OD2-CE 3Å; D138-K142 IonicContact OD2-NZ 3.65Å; D138-K142 PolarHBondContact OD2-NZ 3.35Å; A139-K142 PolarHBondContact O-N 2.8Å; I140-K142 PolarHBondContact O-N 3.07Å
143T97.8Very high95.5Very high1 Ų142 Ų421%0.00620%0.201CC..THydrogen-bonded Turntrans-122.2-111.4-175.961.20000111.4A139 I140 R141 G145 N146 I384 H385 W388A139-T143 WeakPolarHBondContact O-CB 3.43Å; A139-T143 WeakPolarHBondContact O-CG2 3.49Å; A139-T143 PolarHBondContact O-N 3.04Å; A139-T143 VanDerWaalsContact O-N 3.08Å; A139-T143 PolarHBondContact O-OG1 3.3Å; I140-T143 CarbonylContact O-C 3.58Å; I140-T143 PolarHBondContact O-N 3.02Å; R141-T143 VanDerWaalsContact C-N 3.34Å; T143-G145 PolarHBondContact O-N 2.81Å; T143-N146 WeakPolarHBondContact O-CB 3.47Å; T143-N146 PolarHBondContact O-N 3.29Å; T143-I384 HydrophobicContact CG2-CG2 4.1Å; T143-I384 WeakPolarHBondContact OG1-CG2 3.49Å; T143-H385 WeakPolarHBondContact CG2-ND1 3.23Å; T143-W388 VanDerWaalsContact C-CZ3 3.41Å; T143-W388 HydrophobicContact CG2-CB 3.84Å; T143-W388 HydrophobicContact CG2-CD2 4.13Å; T143-W388 HydrophobicContact CG2-CG 3.75Å; T143-W388 WeakPolarHBondContact O-CH2 3.31Å; T143-W388 WeakPolarHBondContact O-CZ3 3.28Å
144W97Very high95.2Very high0 Ų041.3 Ų41.30%021%0.208CC..THydrogen-bonded Turntrans-71.8-15.8-171.859-103.3000114.6L125 I127 I140 N146 Y150 S250 F251 L252 P254 W388L125-W144 HydrophobicContact CD1-CZ3 4.34Å; I127-W144 HydrophobicContact CD1-CH2 3.51Å; I127-W144 HydrophobicContact CD1-CZ3 3.9Å; I127-W144 HydrophobicContact CG1-CH2 4.15Å; I140-W144 HydrophobicContact CB-CH2 4.44Å; I140-W144 HydrophobicContact CB-CZ2 4.01Å; I140-W144 HydrophobicContact CD1-CH2 4.09Å; I140-W144 HydrophobicContact CD1-CZ2 3.59Å; I140-W144 HydrophobicContact CG1-CH2 4.17Å; I140-W144 HydrophobicContact CG1-CZ2 3.41Å; I140-W144 VanDerWaalsContact CG1-CZ2 3.41Å; I140-W144 HydrophobicContact CG2-CD2 3.99Å; I140-W144 HydrophobicContact CG2-CE3 3.97Å; I140-W144 HydrophobicContact CG2-CH2 3.45Å; I140-W144 VanDerWaalsContact CG2-CH2 3.45Å; I140-W144 HydrophobicContact CG2-CZ2 3.47Å; I140-W144 VanDerWaalsContact CG2-CZ2 3.47Å; I140-W144 HydrophobicContact CG2-CZ3 3.7Å; W144-N146 VanDerWaalsContact C-N 3.34Å; W144-Y150 VanDerWaalsContact O-CE2 3.28Å; W144-Y150 WeakPolarHBondContact O-CE2 3.38Å; W144-Y150 PolarHBondContact O-OH 2.85Å; W144-S250 VanDerWaalsContact CE2-O 3.28Å; W144-S250 WeakPolarHBondContact CZ2-O 3.36Å; W144-S250 PolarHBondContact NE1-O 2.9Å; W144-S250 VanDerWaalsContact NE1-O 3.11Å; W144-F251 AromaticContact CD1-CD2 3.63Å; W144-F251 AromaticContact CD1-CE2 3.92Å; W144-F251 AromaticContact CD1-CG 4Å; W144-L252 HydrophobicContact CB-CB 4.4Å; W144-L252 WeakPolarHBondContact CB-O 3.41Å; W144-L252 HydrophobicContact CD2-CB 3.97Å; W144-L252 HydrophobicContact CE3-CB 3.72Å; W144-L252 HydrophobicContact CE3-CD2 4.13Å; W144-L252 HydrophobicContact CG-CB 4.3Å; W144-L252 HydrophobicContact CZ3-CB 4.26Å; W144-L252 HydrophobicContact CZ3-CD2 4.34Å; W144-P254 HydrophobicContact CB-CG 4.38Å; W144-W388 VanDerWaalsContact CA-CZ3 3.45Å; W144-W388 HydrophobicContact CB-CE3 4.28Å; W144-W388 HydrophobicContact CB-CZ3 4.01Å
145G96.6Very high94.9Very high2 Ų239.4 Ų39.42%0.02120%0.199CC..THydrogen-bonded Turntrans-86.60.3169.700000113.8I140 T143 Q147I140-G145 VanDerWaalsContact O-CA 3.29Å; I140-G145 WeakPolarHBondContact O-CA 3.4Å; I140-G145 PolarHBondContact O-N 3.33Å; T143-G145 PolarHBondContact O-N 2.81Å; G145-Q147 PolarHBondContact O-N 3.32Å; G145-Q147 VanDerWaalsContact O-N 3.17Å
146N95.1Very high94.6Very high35 Ų3535.2 Ų35.219%0.18718%0.18CC..  trans-66.4114.7-179.1-175-34.7000110.8R141 T143 W144 E148 C149 Y150R141-N146 WeakPolarHBondContact O-CA 3.19Å; R141-N146 PolarHBondContact O-N 3.26Å; T143-N146 WeakPolarHBondContact O-CB 3.47Å; T143-N146 PolarHBondContact O-N 3.29Å; W144-N146 VanDerWaalsContact C-N 3.34Å; N146-E148 VanDerWaalsContact C-N 3.27Å; N146-E148 PolarHBondContact O-N 3.27Å; N146-E148 VanDerWaalsContact OD1-CB 3.24Å; N146-E148 WeakPolarHBondContact OD1-CB 3.35Å; N146-E148 PolarHBondContact OD1-N 3.19Å; N146-C149 WeakPolarHBondContact O-CB 3.35Å; N146-C149 PolarHBondContact O-N 3.09Å; N146-Y150 WeakPolarHBondContact O-CD2 3.33Å
147Q92.9Very high94.3Very high101 Ų10135.3 Ų35.347%0.47218%0.18SC..Hα-helixtrans-63.2-29.8-175.6-53.8-174.51300113.3G145 C149 Y150 K151 I157G145-Q147 PolarHBondContact O-N 3.32Å; G145-Q147 VanDerWaalsContact O-N 3.17Å; Q147-C149 VanDerWaalsContact C-N 3.29Å; Q147-C149 PolarHBondContact O-N 3.23Å; Q147-Y150 PolarHBondContact O-N 3.17Å; Q147-K151 WeakPolarHBondContact O-CB 3.5Å; Q147-K151 PolarHBondContact O-N 3.09Å; Q147-I157 HydrophobicContact CB-CD1 4.48Å; Q147-I157 HydrophobicContact CB-CG1 4.08Å; Q147-I157 HydrophobicContact CG-CD1 4.13Å; Q147-I157 HydrophobicContact CG-CG1 3.92Å
148E92.6Very high94Very high69 Ų6937.2 Ų37.232%0.32219%0.188SC..Hα-helixtrans-62.5-38.1178.6-169.5-178.9164.800111.4N146 Y150 K151 N152N146-E148 VanDerWaalsContact C-N 3.27Å; N146-E148 PolarHBondContact O-N 3.27Å; N146-E148 VanDerWaalsContact OD1-CB 3.24Å; N146-E148 WeakPolarHBondContact OD1-CB 3.35Å; N146-E148 PolarHBondContact OD1-N 3.19Å; E148-Y150 VanDerWaalsContact C-N 3.31Å; E148-Y150 PolarHBondContact O-N 2.94Å; E148-K151 PolarHBondContact O-N 3.46Å; E148-N152 WeakPolarHBondContact O-CB 3.44Å; E148-N152 VanDerWaalsContact O-CG 3.23Å; E148-N152 PolarHBondContact O-N 3.41Å; E148-N152 PolarHBondContact O-ND2 3.11Å
149C94.5Very high93.8Very high0 Ų035.2 Ų35.20%018%0.177CC..Hα-helixtrans-55.7-47.9177.2-178.10000111.2N146 Q147 F153 P254 C397 I399N146-C149 WeakPolarHBondContact O-CB 3.35Å; N146-C149 PolarHBondContact O-N 3.09Å; Q147-C149 VanDerWaalsContact C-N 3.29Å; Q147-C149 PolarHBondContact O-N 3.23Å; C149-F153 WeakPolarHBondContact O-CD2 3.47Å; C149-P254 VanDerWaalsContact SG-CB 3.58Å; C149-C397 HydrophobicContact CB-CB 3.5Å; C149-C397 VanDerWaalsContact CB-CB 3.5Å; C149-C397 WeakPolarHBondContact CB-SG 3.39Å; C149-C397 WeakPolarHBondContact SG-CB 3.46Å; C149-C397 CovalentContact SG-SG 2.03Å; C149-C397 PolarHBondContact SG-SG 3.41Å; C149-I399 HydrophobicContact CB-CD1 4.37Å
150Y93.6Very high93.7Very high0 Ų035.2 Ų35.20%018%0.177CC..Hα-helixtrans-71.5-40.6-179.4-61.3-97.9000112.1I123 W144 N146 Q147 E148 N152 F153 G154 V155 I157 P254 L257 I258I123-Y150 HydrophobicContact CD1-CD1 4.2Å; I123-Y150 HydrophobicContact CD1-CE1 4.32Å; W144-Y150 VanDerWaalsContact O-CE2 3.28Å; W144-Y150 WeakPolarHBondContact O-CE2 3.38Å; W144-Y150 PolarHBondContact O-OH 2.85Å; N146-Y150 WeakPolarHBondContact O-CD2 3.33Å; Q147-Y150 PolarHBondContact O-N 3.17Å; E148-Y150 VanDerWaalsContact C-N 3.31Å; E148-Y150 PolarHBondContact O-N 2.94Å; Y150-N152 VanDerWaalsContact C-N 3.27Å; Y150-N152 PolarHBondContact O-N 3.32Å; Y150-F153 CarbonylContact O-C 3.48Å; Y150-F153 WeakPolarHBondContact O-CA 3.36Å; Y150-F153 PolarHBondContact O-N 3.23Å; Y150-G154 PolarHBondContact O-N 2.94Å; Y150-V155 CarbonylContact C-O 3.06Å; Y150-V155 WeakPolarHBondContact CB-O 3.45Å; Y150-V155 HydrophobicContact CD1-CG1 4.37Å; Y150-V155 PolarHBondContact O-N 2.95Å; Y150-V155 VanDerWaalsContact O-N 3.08Å; Y150-V155 VanDerWaalsContact O-O 3.1Å; Y150-I157 HydrophobicContact CD1-CG2 3.39Å; Y150-I157 HydrophobicContact CD2-CB 4.45Å; Y150-I157 HydrophobicContact CD2-CD1 3.31Å; Y150-I157 HydrophobicContact CD2-CG1 3.76Å; Y150-I157 HydrophobicContact CD2-CG2 3.87Å; Y150-I157 HydrophobicContact CE1-CG2 4Å; Y150-I157 HydrophobicContact CE2-CD1 3.39Å; Y150-I157 HydrophobicContact CE2-CG1 4.3Å; Y150-I157 HydrophobicContact CE2-CG2 4.42Å; Y150-I157 HydrophobicContact CG-CB 4.33Å; Y150-I157 HydrophobicContact CG-CD1 4.01Å; Y150-I157 HydrophobicContact CG-CG1 4.04Å; Y150-I157 HydrophobicContact CG-CG2 3.32Å; Y150-P254 HydrophobicContact CD1-CB 4.44Å; Y150-P254 HydrophobicContact CE1-CB 3.84Å; Y150-P254 HydrophobicContact CE2-CB 4.02Å; Y150-P254 HydrophobicContact CE2-CG 4.21Å; Y150-L257 HydrophobicContact CE1-CD2 4.33Å; Y150-I258 HydrophobicContact CD1-CD1 3.77Å; Y150-I258 HydrophobicContact CD1-CG1 4.02Å; Y150-I258 HydrophobicContact CG-CD1 4.42Å
151K91.1Very high93.6Very high142 Ų14235.2 Ų35.262%0.61718%0.177SC*.Hα-helixtrans-57.5-40.4178.1-174.5-176.5177-173.40111.7Q147 E148 F153 G154 V155Q147-K151 WeakPolarHBondContact O-CB 3.5Å; Q147-K151 PolarHBondContact O-N 3.09Å; E148-K151 PolarHBondContact O-N 3.46Å; K151-F153 PolarHBondContact O-N 3.37Å; K151-F153 VanDerWaalsContact O-N 3.13Å; K151-G154 PolarHBondContact O-N 2.99Å; K151-V155 WeakPolarHBondContact CA-O 3.22Å; K151-V155 PolarHBondContact N-O 3.38Å
152N91.4Very high93.5Very high60 Ų6034 Ų3432%0.32117%0.172SC..THydrogen-bonded Turntrans-64.3-14.9177.3-71.8-16.1000113.9E148 Y150 C397 K398E148-N152 WeakPolarHBondContact O-CB 3.44Å; E148-N152 VanDerWaalsContact O-CG 3.23Å; E148-N152 PolarHBondContact O-N 3.41Å; E148-N152 PolarHBondContact O-ND2 3.11Å; Y150-N152 VanDerWaalsContact C-N 3.27Å; Y150-N152 PolarHBondContact O-N 3.32Å; N152-C397 PolarHBondContact ND2-O 3.26Å; N152-K398 HydrophobicContact CB-CB 4.46Å; N152-K398 PolarHBondContact ND2-O 3.45Å
153F90.9Very high93.4Very high50 Ų5028.4 Ų28.422%0.21915%0.148CC..THydrogen-bonded Turntrans-106.814.1170.9-66.8-78.6000113C149 Y150 K151 V155 I255 I258 R262 A396C149-F153 WeakPolarHBondContact O-CD2 3.47Å; Y150-F153 CarbonylContact O-C 3.48Å; Y150-F153 WeakPolarHBondContact O-CA 3.36Å; Y150-F153 PolarHBondContact O-N 3.23Å; K151-F153 PolarHBondContact O-N 3.37Å; K151-F153 VanDerWaalsContact O-N 3.13Å; F153-V155 VanDerWaalsContact C-N 3.33Å; F153-I255 HydrophobicContact CD2-CG1 4.45Å; F153-I255 HydrophobicContact CE2-CD1 4.03Å; F153-I255 HydrophobicContact CE2-CG1 3.73Å; F153-I255 HydrophobicContact CZ-CD1 3.85Å; F153-I255 HydrophobicContact CZ-CG1 3.89Å; F153-I258 HydrophobicContact CB-CD1 3.82Å; F153-I258 HydrophobicContact CD2-CD1 4.22Å; F153-I258 HydrophobicContact CG-CD1 4.28Å; F153-R262 PolarHBondContact O-NH2 2.92Å; F153-A396 VanDerWaalsContact CZ-O 3.31Å; F153-A396 WeakPolarHBondContact CZ-O 3.39Å
154G88.7Confident93.2Very high44 Ų4428.4 Ų28.445%0.45415%0.148SC..THydrogen-bonded Turntrans70.527.517800000113.9Y150 K151Y150-G154 PolarHBondContact O-N 2.94Å; K151-G154 PolarHBondContact O-N 2.99Å
155V89.9Confident92.8Very high2 Ų231 Ų311%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-118.3135.1177.21740000108.6I121 I123 Y150 K151 F153 I157 I258I121-V155 HydrophobicContact CB-CG1 4.44Å; I121-V155 HydrophobicContact CB-CG2 4.32Å; I121-V155 HydrophobicContact CG2-CG1 4.45Å; I121-V155 WeakPolarHBondContact O-CG1 3.43Å; I123-V155 HydrophobicContact CD1-CG1 3.54Å; I123-V155 HydrophobicContact CG1-CG1 3.8Å; Y150-V155 CarbonylContact C-O 3.06Å; Y150-V155 WeakPolarHBondContact CB-O 3.45Å; Y150-V155 HydrophobicContact CD1-CG1 4.37Å; Y150-V155 PolarHBondContact O-N 2.95Å; Y150-V155 VanDerWaalsContact O-N 3.08Å; Y150-V155 VanDerWaalsContact O-O 3.1Å; K151-V155 WeakPolarHBondContact CA-O 3.22Å; K151-V155 PolarHBondContact N-O 3.38Å; F153-V155 VanDerWaalsContact C-N 3.33Å; V155-I157 HydrophobicContact CG1-CG2 4.16Å; V155-I258 HydrophobicContact CB-CD1 4.22Å; V155-I258 HydrophobicContact CB-CG1 4.34Å; V155-I258 HydrophobicContact CG1-CG1 4.4Å; V155-I258 HydrophobicContact CG2-CD1 4.14Å; V155-I258 HydrophobicContact CG2-CG1 4.02Å; V155-I258 HydrophobicContact CG2-CG2 3.8Å
156S89.1Confident92.2Very high35 Ų3533.6 Ų33.625%0.24517%0.171CC..EExtended strand (participates in β ladder)trans-101.8134.4177.7-54.40000109.1I121 D122 I123I121-S156 PolarHBondContact O-N 3.36Å; I121-S156 VanDerWaalsContact O-N 3.15Å; D122-S156 WeakPolarHBondContact CA-O 3.08Å; I123-S156 PolarHBondContact N-O 2.94Å
157I92.3Very high91.3Very high11 Ų1134.5 Ų34.56%0.05618%0.175CC..EExtended strand (participates in β ladder)trans-125.2151.417871.2152.7000111.5I123 L125 Q147 Y150 V155I123-I157 HydrophobicContact CB-CB 4.37Å; I123-I157 HydrophobicContact CB-CG2 3.76Å; I123-I157 HydrophobicContact CD1-CG2 4.07Å; I123-I157 HydrophobicContact CG1-CG2 4.15Å; I123-I157 CarbonylContact O-C 3.59Å; I123-I157 WeakPolarHBondContact O-CA 3.35Å; L125-I157 HydrophobicContact CD1-CD1 3.82Å; Q147-I157 HydrophobicContact CB-CD1 4.48Å; Q147-I157 HydrophobicContact CB-CG1 4.08Å; Q147-I157 HydrophobicContact CG-CD1 4.13Å; Q147-I157 HydrophobicContact CG-CG1 3.92Å; Y150-I157 HydrophobicContact CD1-CG2 3.39Å; Y150-I157 HydrophobicContact CD2-CB 4.45Å; Y150-I157 HydrophobicContact CD2-CD1 3.31Å; Y150-I157 HydrophobicContact CD2-CG1 3.76Å; Y150-I157 HydrophobicContact CD2-CG2 3.87Å; Y150-I157 HydrophobicContact CE1-CG2 4Å; Y150-I157 HydrophobicContact CE2-CD1 3.39Å; Y150-I157 HydrophobicContact CE2-CG1 4.3Å; Y150-I157 HydrophobicContact CE2-CG2 4.42Å; Y150-I157 HydrophobicContact CG-CB 4.33Å; Y150-I157 HydrophobicContact CG-CD1 4.01Å; Y150-I157 HydrophobicContact CG-CG1 4.04Å; Y150-I157 HydrophobicContact CG-CG2 3.32Å; V155-I157 HydrophobicContact CG1-CG2 4.16Å
158R92Very high90.1Very high41 Ų4135.6 Ų35.616%0.15519%0.185CC..EExtended strand (participates in β ladder)trans-127.3136.6164.6-17262.1-178.8-117.46.5108.9E90 Q91 I94 I123 L124 L125 H206E90-R158 PolarHBondContact O-NH1 3.49Å; Q91-R158 WeakPolarHBondContact O-CG 3.48Å; Q91-R158 PolarHBondContact O-NE 3.46Å; I94-R158 HydrophobicContact CG1-CB 4.12Å; I123-R158 PolarHBondContact O-N 3.29Å; L124-R158 WeakPolarHBondContact CA-O 3.42Å; L124-R158 HydrophobicContact CD1-CB 3.83Å; L124-R158 HydrophobicContact CD1-CG 4.09Å; L125-R158 PolarHBondContact N-O 3.46Å; R158-H206 PolarHBondContact NH2-O 3.09Å
159I94.2Very high88.5Confident4 Ų438.8 Ų38.82%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-106.2137.4176.4-171.6165.9000108.4L125 I127 I140 F161 D207L125-I159 HydrophobicContact CB-CG1 4.46Å; L125-I159 CarbonylContact O-C 3.53Å; L125-I159 WeakPolarHBondContact O-CA 3.22Å; I127-I159 HydrophobicContact CD1-CD1 3.5Å; I127-I159 HydrophobicContact CD1-CG1 3.64Å; I140-I159 HydrophobicContact CG2-CD1 3.74Å; I159-F161 HydrophobicContact CD1-CE1 4.32Å; I159-F161 HydrophobicContact CD1-CE2 3.76Å; I159-F161 HydrophobicContact CD1-CZ 3.53Å; I159-F161 HydrophobicContact CG1-CD2 4.49Å; I159-F161 HydrophobicContact CG1-CE2 3.97Å; I159-F161 HydrophobicContact CG1-CZ 4.09Å; I159-D207 HydrophobicContact CG2-CB 4.09Å; I159-D207 VanDerWaalsContact O-CB 3.29Å; I159-D207 WeakPolarHBondContact O-CB 3.37Å
160L94.9Very high86.5Confident0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-136.5123.6171.8-62.7176.5000109Q91 L124 L125 I126 I127 I162 D207 F230Q91-L160 HydrophobicContact CB-CD2 4.08Å; L124-L160 HydrophobicContact CD1-CD1 3.94Å; L124-L160 HydrophobicContact CD1-CG 4.19Å; L125-L160 PolarHBondContact O-N 3.14Å; I126-L160 HydrophobicContact CD1-CB 4Å; I126-L160 HydrophobicContact CD1-CD1 3.91Å; I126-L160 HydrophobicContact CD1-CG 4.4Å; I127-L160 PolarHBondContact N-O 3.46Å; L160-I162 HydrophobicContact CB-CD1 4.29Å; L160-D207 CarbonylContact C-O 3.51Å; L160-D207 WeakPolarHBondContact CA-O 3.34Å; L160-F230 HydrophobicContact CD1-CD1 4.16Å; L160-F230 HydrophobicContact CD1-CE1 3.62Å
161F96.5Very high84.3Confident0 Ų050 Ų500%026%0.264CS..EExtended strand (participates in β ladder)trans-91.8126.3171.7-65.6-76.3000110.1I127 R137 I140 R141 I159 D207 I209I127-F161 HydrophobicContact CB-CD1 3.74Å; I127-F161 HydrophobicContact CB-CE1 3.96Å; I127-F161 HydrophobicContact CD1-CD1 4.16Å; I127-F161 HydrophobicContact CD1-CE1 3.58Å; I127-F161 HydrophobicContact CD1-CZ 4.04Å; I127-F161 HydrophobicContact CG1-CE1 4.39Å; I127-F161 HydrophobicContact CG2-CD1 3.85Å; I127-F161 HydrophobicContact CG2-CE1 3.88Å; I127-F161 CarbonylContact O-C 3.42Å; I127-F161 WeakPolarHBondContact O-CA 3.35Å; R137-F161 HydrophobicContact CB-CD1 4.17Å; R137-F161 HydrophobicContact CB-CD2 4.27Å; R137-F161 HydrophobicContact CB-CE1 3.83Å; R137-F161 HydrophobicContact CB-CE2 3.94Å; R137-F161 HydrophobicContact CB-CG 4.36Å; R137-F161 HydrophobicContact CB-CZ 3.68Å; R137-F161 HydrophobicContact CG-CB 4.48Å; R137-F161 HydrophobicContact CG-CD1 3.49Å; R137-F161 VanDerWaalsContact CG-CD1 3.49Å; R137-F161 HydrophobicContact CG-CD2 4.18Å; R137-F161 HydrophobicContact CG-CE1 3.57Å; R137-F161 HydrophobicContact CG-CE2 4.25Å; R137-F161 HydrophobicContact CG-CG 3.79Å; R137-F161 HydrophobicContact CG-CZ 3.95Å; I140-F161 HydrophobicContact CB-CE1 4.46Å; I140-F161 HydrophobicContact CB-CZ 4.18Å; I140-F161 HydrophobicContact CD1-CE1 3.92Å; I140-F161 HydrophobicContact CD1-CZ 4.47Å; I140-F161 HydrophobicContact CG2-CE1 4.41Å; I140-F161 HydrophobicContact CG2-CZ 4.08Å; R141-F161 HydrophobicContact CG-CE2 4.07Å; R141-F161 HydrophobicContact CG-CZ 4.34Å; I159-F161 HydrophobicContact CD1-CE1 4.32Å; I159-F161 HydrophobicContact CD1-CE2 3.76Å; I159-F161 HydrophobicContact CD1-CZ 3.53Å; I159-F161 HydrophobicContact CG1-CD2 4.49Å; I159-F161 HydrophobicContact CG1-CE2 3.97Å; I159-F161 HydrophobicContact CG1-CZ 4.09Å; F161-D207 PolarHBondContact N-O 2.99Å; F161-I209 PolarHBondContact O-N 3.11Å
162I95.5Very high82Confident0 Ų050.6 Ų50.60%027%0.274CS..EExtended strand (participates in β ladder)trans-108.2118.3-173.9-50.4-59.5000109.7I126 I127 S129 L160 I209 F211 K223 S227I126-I162 HydrophobicContact CG2-CD1 4.15Å; I126-I162 HydrophobicContact CG2-CG1 3.51Å; I127-I162 PolarHBondContact O-N 2.83Å; S129-I162 PolarHBondContact N-O 3.24Å; S129-I162 VanDerWaalsContact O-O 3.06Å; L160-I162 HydrophobicContact CB-CD1 4.29Å; I162-I209 WeakPolarHBondContact CA-O 3.12Å; I162-I209 HydrophobicContact CD1-CB 3.87Å; I162-I209 HydrophobicContact CD1-CG1 4.45Å; I162-I209 HydrophobicContact CD1-CG2 4.31Å; I162-F211 HydrophobicContact CG2-CD2 3.83Å; I162-F211 HydrophobicContact CG2-CE2 3.61Å; I162-K223 HydrophobicContact CG2-CB 4.12Å; I162-K223 HydrophobicContact CG2-CG 4.28Å; I162-S227 WeakPolarHBondContact CG1-OG 3.12Å
163L95Very high79.7Confident0 Ų055.2 Ų55.20%030%0.297CS..EExtended strand (participates in β ladder)trans-120.2152.5-173.4-49.4-176.7000110.8S129 V131 L198 I208 I209 Q210 F211S129-L163 VanDerWaalsContact O-CD2 3.22Å; S129-L163 WeakPolarHBondContact O-CD2 3.44Å; V131-L163 HydrophobicContact CG1-CB 4.4Å; V131-L163 HydrophobicContact CG1-CD1 4.46Å; L163-L198 HydrophobicContact CD1-CD1 4.31Å; L163-L198 HydrophobicContact CD1-CD2 3.55Å; L163-I208 HydrophobicContact CD1-CG2 3.55Å; L163-I208 HydrophobicContact CG-CG2 4.13Å; L163-I209 PolarHBondContact N-O 3.44Å; L163-Q210 HydrophobicContact CB-CB 4.29Å; L163-Q210 HydrophobicContact CB-CG 3.99Å; L163-Q210 WeakPolarHBondContact O-CA 3.3Å; L163-F211 PolarHBondContact O-N 2.94Å
164G92.3Very high77.6Confident0 Ų059.7 Ų59.70%032%0.322CS..EExtended strand (participates in β ladder)trans-96.7-176158.100000110.9V131 Q210 F213 D215V131-G164 WeakPolarHBondContact CG1-O 3.29Å; G164-Q210 WeakPolarHBondContact O-CG 3.47Å; G164-Q210 PolarHBondContact O-NE2 3.31Å; G164-F213 CarbonylContact C-O 3.59Å; G164-F213 VanDerWaalsContact CA-O 3.32Å; G164-F213 WeakPolarHBondContact CA-O 3.42Å; G164-D215 PolarHBondContact N-OD2 3.27Å
165K88.8Confident75.4Confident56 Ų5664.3 Ų64.324%0.24334%0.337CS..EExtended strand (participates in β ladder)trans-84.7154.1168.264.1179.7177.3-167.50111.4I81 D212 F213 I214 D215I81-K165 HydrophobicContact CD1-CB 4.05Å; K165-D212 WeakPolarHBondContact CE-OD1 3.29Å; K165-D212 IonicContact NZ-OD1 3.2Å; K165-D212 PolarHBondContact NZ-OD1 3.02Å; K165-F213 WeakPolarHBondContact CG-O 3.17Å; K165-F213 PolarHBondContact N-O 3.1Å; K165-I214 HydrophobicContact CG-CG1 4.46Å; K165-I214 CarbonylContact O-C 3.56Å; K165-I214 WeakPolarHBondContact O-CA 3.14Å; K165-D215 WeakPolarHBondContact O-CB 3.43Å; K165-D215 PolarHBondContact O-N 3.43Å
166Q84.4Confident73.2Confident55 Ų5571.8 Ų71.826%0.25737%0.366SS..  trans-66.8152.6168.4-165.5168.8-13.800109.5V131 D168 D171V131-Q166 HydrophobicContact CG2-CB 4.29Å; Q166-D168 PolarHBondContact O-N 3.16Å; Q166-D171 PolarHBondContact NE2-OD2 3.35Å
167D77.3Confident71.2Confident54 Ų5474.9 Ų74.929%0.28939%0.387SS..  trans-70114.6171.2-167.9-15.1000109.1N169 N170 I214D167-N169 PolarHBondContact O-N 3.39Å; D167-N169 WeakPolarHBondContact OD1-CB 3.39Å; D167-N169 PolarHBondContact OD1-N 3.2Å; D167-N169 PolarHBondContact OD1-ND2 3.07Å; D167-N170 PolarHBondContact O-N 2.93Å; D167-I214 HydrophobicContact CB-CG2 3.85Å
168D66.2Low69.3Low125 Ų12579.5 Ų79.567%0.66841%0.411SS*.G310 helixtrans-61.4-13-177.4-63.9-40.8000112.7Q166 N170Q166-D168 PolarHBondContact O-N 3.16Å; D168-N170 PolarHBondContact O-N 3.47Å
169N59Low67.3Low136 Ų13678.8 Ų78.873%0.72741%0.412SS*.G310 helixtrans-73.5-10.3179.9-65-51.3000114.4D167D167-N169 PolarHBondContact O-N 3.39Å; D167-N169 WeakPolarHBondContact OD1-CB 3.39Å; D167-N169 PolarHBondContact OD1-N 3.2Å; D167-N169 PolarHBondContact OD1-ND2 3.07Å
170N52.8Low65.1Low129 Ų12984.5 Ų84.569%0.6944%0.442SS*.G310 helixtrans-111.5-5.9-172.3-82.9-24.2000116.6D167 D168D167-N170 PolarHBondContact O-N 2.93Å; D168-N170 PolarHBondContact O-N 3.47Å
171D47.9Very low63.1Low107 Ų10793.4 Ų93.457%0.57248%0.484SS*.SBendtrans-143.4133.3177.6-82-48000112.4Q166 I173Q166-D171 PolarHBondContact NE2-OD2 3.35Å; D171-I173 PolarHBondContact O-N 3.38Å
172N44.1Very low60.9Low154 Ų154100.5 Ų100.582%0.82452%0.522SS*.  trans-45.9126.5176.4-66.7-54.1000110.6L174N172-L174 PolarHBondContact O-N 2.85Å
173I41.9Very low58.7Low156 Ų156104 Ų10480%0.854%0.543SS*.  trans-53.390.4168.9-61.5168000108D171 N175D171-I173 PolarHBondContact O-N 3.38Å; I173-N175 PolarHBondContact O-N 2.88Å
174L46.6Very low56.4Low144 Ų144113.2 Ų113.275%0.75459%0.586SS**  trans-78.4108.3163.3-89.7162.5000105.6N172 Y176N172-L174 PolarHBondContact O-N 2.85Å; L174-Y176 PolarHBondContact O-N 2.91Å; L174-Y176 VanDerWaalsContact O-N 3.1Å
175N42.4Very low54.1Low141 Ų141117.5 Ų117.575%0.75460%0.603SS**  trans-38.9116177.7-73.4-33.7000111.3I173 S177I173-N175 PolarHBondContact O-N 2.88Å; N175-S177 PolarHBondContact O-N 2.86Å
176Y45Very low52.3Low160 Ų160119.6 Ų119.663%0.62762%0.617SS**  trans-57.4116.1171.7175.7-98.8000110.2L174 I178L174-Y176 PolarHBondContact O-N 2.91Å; L174-Y176 VanDerWaalsContact O-N 3.1Å; Y176-I178 HydrophobicContact CD1-CG1 4.44Å; Y176-I178 HydrophobicContact CE1-CD1 3.96Å; Y176-I178 HydrophobicContact CE1-CG1 3.48Å; Y176-I178 VanDerWaalsContact CE1-CG1 3.48Å; Y176-I178 HydrophobicContact CE2-CG1 4.35Å; Y176-I178 VanDerWaalsContact CZ-CG1 3.44Å; Y176-I178 VanDerWaalsContact OH-CG1 3.23Å; Y176-I178 WeakPolarHBondContact OH-CG1 3.36Å
177S47.1Very low50.7Low100 Ų100123.4 Ų123.470%0.69964%0.639SS**  trans-125.5116160.751.30000107.5N175 P179N175-S177 PolarHBondContact O-N 2.86Å; S177-P179 WeakPolarHBondContact O-CD 3.43Å
178I52.2Low49.4Very low108 Ų108124.9 Ų124.955%0.55465%0.653SS**PPolyproline II helixtrans-53.1120.5173.6-62.3173.1000107.7Y176 N180Y176-I178 HydrophobicContact CD1-CG1 4.44Å; Y176-I178 HydrophobicContact CE1-CD1 3.96Å; Y176-I178 HydrophobicContact CE1-CG1 3.48Å; Y176-I178 VanDerWaalsContact CE1-CG1 3.48Å; Y176-I178 HydrophobicContact CE2-CG1 4.35Å; Y176-I178 VanDerWaalsContact CZ-CG1 3.44Å; Y176-I178 VanDerWaalsContact OH-CG1 3.23Å; Y176-I178 WeakPolarHBondContact OH-CG1 3.36Å; I178-N180 PolarHBondContact O-N 3.25Å
179P48.7Very low48.5Very low25 Ų25124.7 Ų124.716%0.16265%0.65CS.*PPolyproline II helixtrans-62.4127.9175.1-16.829.5000109S177 Q196 Y199S177-P179 WeakPolarHBondContact O-CD 3.43Å; P179-Q196 HydrophobicContact CG-CG 4.29Å; P179-Y199 HydrophobicContact CG-CD1 4.39Å
180N48.4Very low48.1Very low125 Ų125123.4 Ų123.467%0.66865%0.651SS**PPolyproline II helixtrans-62.3139.8172.3-144.7-3.3000108.4I178 N182 T183I178-N180 PolarHBondContact O-N 3.25Å; N180-N182 PolarHBondContact O-N 3.38Å; N180-T183 PolarHBondContact O-N 2.99Å; N180-T183 VanDerWaalsContact O-N 3.09Å; N180-T183 PolarHBondContact O-OG1 2.87Å
181E53.1Low48Very low187 Ų187123.9 Ų123.987%0.87465%0.654SS**THydrogen-bonded Turntrans-53.2-12.6-173.3-77.9-178.7154.600115.1
182N50.2Low48.9Very low149 Ų149119.6 Ų119.680%0.79763%0.631SS**THydrogen-bonded Turntrans-96.72.9-177.1-61.9-30.4000115.2N180 H184N180-N182 PolarHBondContact O-N 3.38Å; N182-H184 PolarHBondContact O-N 2.77Å
183T49.8Very low50.7Low73 Ų73114 Ų11445%0.44861%0.61SS.*  trans-81.6101.5177.5510000111.2N180 Y185 Y200N180-T183 PolarHBondContact O-N 2.99Å; N180-T183 VanDerWaalsContact O-N 3.09Å; N180-T183 PolarHBondContact O-OG1 2.87Å; T183-Y185 PolarHBondContact O-N 3.43Å; T183-Y200 PolarHBondContact OG1-OH 2.7Å
184H46.7Very low52.8Low194 Ų194108.1 Ų108.190%0.89858%0.582SS**PPolyproline II helixtrans-59.6117.4170.7-132.2-71.8000109.6N182 D186N182-H184 PolarHBondContact O-N 2.77Å; H184-D186 PolarHBondContact O-N 3.18Å
185Y44.6Very low54.6Low89 Ų89106.9 Ų106.935%0.34958%0.575SS.*PPolyproline II helixtrans-76.2118.9-179.3177.8-110.6000110.1T183 N187 Y200T183-Y185 PolarHBondContact O-N 3.43Å; Y185-N187 WeakPolarHBondContact CE1-OD1 3.49Å; Y185-Y200 AromaticContact CD2-CD2 3.74Å; Y185-Y200 HydrophobicContact CD2-CD2 3.74Å; Y185-Y200 AromaticContact CD2-CE2 3.53Å; Y185-Y200 HydrophobicContact CD2-CE2 3.53Å; Y185-Y200 HydrophobicContact CD2-CG 4.39Å; Y185-Y200 AromaticContact CE2-CD2 3.94Å; Y185-Y200 HydrophobicContact CE2-CD2 3.94Å; Y185-Y200 HydrophobicContact CE2-CE2 4.03Å; Y185-Y200 HydrophobicContact CG-CD2 4.38Å; Y185-Y200 HydrophobicContact CG-CE2 4.31Å
186D49.2Very low56.6Low100 Ų100103.6 Ų103.654%0.53556%0.555SS.*PPolyproline II helixtrans-97.6124.2167.5-169.85.5000109H184 S188H184-D186 PolarHBondContact O-N 3.18Å; D186-S188 PolarHBondContact O-N 2.7Å; D186-S188 PolarHBondContact OD1-OG 3.22Å; D186-S188 PolarHBondContact OD2-OG 3.49Å
187N52.1Low58.8Low135 Ų13599.3 Ų99.372%0.72254%0.54SS*.THydrogen-bonded Turntrans-66.1-2.6-177.6-85.3-48.6000113.5Y185Y185-N187 WeakPolarHBondContact CE1-OD1 3.49Å
188S50.2Low60.8Low85 Ų8594.7 Ų94.759%0.59451%0.507SS*.THydrogen-bonded Turntrans-86.7-4.4-174.868.70000114.8D186 S190D186-S188 PolarHBondContact O-N 2.7Å; D186-S188 PolarHBondContact OD1-OG 3.22Å; D186-S188 PolarHBondContact OD2-OG 3.49Å; S188-S190 PolarHBondContact O-N 2.87Å
189M45.8Very low62.6Low122 Ų12292.8 Ų92.860%0.60149%0.493SS*.  trans-93.696.1-170.7-151.5115.668.800112.3N191 V192M189-N191 PolarHBondContact O-N 3.26Å; M189-N191 VanDerWaalsContact O-N 3.07Å; M189-V192 HydrophobicContact CB-CG2 3.96Å; M189-V192 HydrophobicContact CG-CG2 4.31Å; M189-V192 WeakPolarHBondContact O-CG2 3.33Å; M189-V192 PolarHBondContact O-N 2.85Å
190S51.4Low64.6Low108 Ų10893.1 Ų93.176%0.75549%0.492SS*.THydrogen-bonded Turntrans-61.7-10.1178.838.40000115.4S188S188-S190 PolarHBondContact O-N 2.87Å
191N51.2Low66.7Low140 Ų14088 Ų8875%0.74946%0.464SS*.THydrogen-bonded Turntrans-103.714.4-176-69-19.7000114.7M189 G193M189-N191 PolarHBondContact O-N 3.26Å; M189-N191 VanDerWaalsContact O-N 3.07Å; N191-G193 PolarHBondContact O-N 3.42Å
192V65.8Low68.5Low16 Ų1680 Ų8010%0.09743%0.426CS..  trans-78.7117.6176.6179.20000109.7M189 Q196 K197M189-V192 HydrophobicContact CB-CG2 3.96Å; M189-V192 HydrophobicContact CG-CG2 4.31Å; M189-V192 WeakPolarHBondContact O-CG2 3.33Å; M189-V192 PolarHBondContact O-N 2.85Å; V192-Q196 HydrophobicContact CG1-CB 3.7Å; V192-Q196 HydrophobicContact CG1-CG 3.75Å; V192-K197 HydrophobicContact CB-CG 4.32Å; V192-K197 HydrophobicContact CG1-CG 3.67Å; V192-K197 VanDerWaalsContact O-CE 3.28Å; V192-K197 WeakPolarHBondContact O-CE 3.45Å
193G81.9Confident70.4Confident36 Ų3676.7 Ų76.737%0.37141%0.408SS..  trans-60.2152.3177.400000112.8N191 L195 Q196 K197N191-G193 PolarHBondContact O-N 3.42Å; G193-L195 PolarHBondContact O-N 3.03Å; G193-Q196 PolarHBondContact O-N 3.42Å; G193-K197 PolarHBondContact O-N 3.48Å; G193-K197 VanDerWaalsContact O-N 3.16Å
194V85.6Confident72.3Confident34 Ų3479 Ų7921%0.20642%0.417CS..Hα-helixtrans-53.3-41.4-177.1177.10000111.9V131 N132 F134 Q196 K197 L198V131-V194 HydrophobicContact CB-CG1 3.8Å; V131-V194 HydrophobicContact CG2-CG1 4.03Å; N132-V194 WeakPolarHBondContact OD1-CG2 3.46Å; F134-V194 HydrophobicContact CE2-CG1 4.22Å; F134-V194 HydrophobicContact CZ-CG1 4.08Å; V194-Q196 PolarHBondContact O-N 3.3Å; V194-K197 PolarHBondContact O-N 3.43Å; V194-L198 HydrophobicContact CG1-CD1 4.19Å; V194-L198 HydrophobicContact CG1-CG 4.47Å; V194-L198 WeakPolarHBondContact O-CG 3.11Å; V194-L198 PolarHBondContact O-N 3.34Å
195L84.2Confident74.5Confident117 Ų11773.1 Ų73.161%0.61339%0.39SS*.Hα-helixtrans-62.2-39.3178.5-64.9178.1000113.1G193 L198 Y199G193-L195 PolarHBondContact O-N 3.03Å; L195-L198 PolarHBondContact O-N 2.82Å; L195-Y199 PolarHBondContact O-N 2.97Å
196Q85.6Confident76.7Confident73 Ų7373.4 Ų73.434%0.34139%0.394SS..Hα-helixtrans-70.3-37.4178-175.6175.217.600110.9P179 V192 G193 V194 Y199 Y200P179-Q196 HydrophobicContact CG-CG 4.29Å; V192-Q196 HydrophobicContact CG1-CB 3.7Å; V192-Q196 HydrophobicContact CG1-CG 3.75Å; G193-Q196 PolarHBondContact O-N 3.42Å; V194-Q196 PolarHBondContact O-N 3.3Å; Q196-Y199 WeakPolarHBondContact O-CB 3.5Å; Q196-Y199 PolarHBondContact O-N 3.05Å; Q196-Y200 HydrophobicContact CG-CD2 4.03Å; Q196-Y200 HydrophobicContact CG-CE2 3.6Å; Q196-Y200 WeakPolarHBondContact O-CD2 3.46Å; Q196-Y200 PolarHBondContact O-N 3.39Å; Q196-Y200 VanDerWaalsContact O-N 3.11Å
197K90.2Very high78.7Confident69 Ų6968.9 Ų68.930%0.337%0.37SS..Hα-helixtrans-62.7-43.6172.3-65.5-177.2-179.9171.90111.7F134 V192 G193 V194 Y199 Y200 E201F134-K197 HydrophobicContact CD1-CB 4.36Å; F134-K197 HydrophobicContact CE1-CB 3.54Å; F134-K197 HydrophobicContact CE2-CB 4.17Å; F134-K197 HydrophobicContact CE2-CD 4.29Å; F134-K197 HydrophobicContact CZ-CB 3.42Å; F134-K197 VanDerWaalsContact CZ-CB 3.42Å; F134-K197 HydrophobicContact CZ-CD 4.37Å; V192-K197 HydrophobicContact CB-CG 4.32Å; V192-K197 HydrophobicContact CG1-CG 3.67Å; V192-K197 VanDerWaalsContact O-CE 3.28Å; V192-K197 WeakPolarHBondContact O-CE 3.45Å; G193-K197 PolarHBondContact O-N 3.48Å; G193-K197 VanDerWaalsContact O-N 3.16Å; V194-K197 PolarHBondContact O-N 3.43Å; K197-Y199 VanDerWaalsContact C-N 3.32Å; K197-Y199 PolarHBondContact O-N 3.13Å; K197-Y200 PolarHBondContact O-N 3.1Å; K197-E201 WeakPolarHBondContact O-CB 3.34Å; K197-E201 PolarHBondContact O-N 2.8Å
198L90.5Very high80.7Confident3 Ų362.5 Ų62.52%0.01634%0.335CS..Hα-helixtrans-62-38.7175-74.8172.9000112.2V131 F134 L163 V194 L195 E201 H202 I208V131-L198 HydrophobicContact CB-CD1 4.02Å; V131-L198 HydrophobicContact CG1-CD1 3.94Å; F134-L198 HydrophobicContact CE1-CD2 3.73Å; F134-L198 HydrophobicContact CE1-CG 3.93Å; F134-L198 HydrophobicContact CZ-CD2 4Å; F134-L198 HydrophobicContact CZ-CG 3.87Å; L163-L198 HydrophobicContact CD1-CD1 4.31Å; L163-L198 HydrophobicContact CD1-CD2 3.55Å; V194-L198 HydrophobicContact CG1-CD1 4.19Å; V194-L198 HydrophobicContact CG1-CG 4.47Å; V194-L198 WeakPolarHBondContact O-CG 3.11Å; V194-L198 PolarHBondContact O-N 3.34Å; L195-L198 PolarHBondContact O-N 2.82Å; L198-E201 PolarHBondContact O-N 2.94Å; L198-H202 WeakPolarHBondContact O-CB 3.5Å; L198-H202 PolarHBondContact O-N 3.41Å; L198-I208 HydrophobicContact CD2-CD1 4.09Å
199Y88.9Confident82.7Confident68 Ų6858.4 Ų58.427%0.26731%0.307SS..Hα-helixtrans-58.4-52.8175-176.7-99.9000111.7F82 P179 L195 Q196 K197 E201 H202 L203F82-Y199 HydrophobicContact CE2-CD2 4.02Å; P179-Y199 HydrophobicContact CG-CD1 4.39Å; L195-Y199 PolarHBondContact O-N 2.97Å; Q196-Y199 WeakPolarHBondContact O-CB 3.5Å; Q196-Y199 PolarHBondContact O-N 3.05Å; K197-Y199 VanDerWaalsContact C-N 3.32Å; K197-Y199 PolarHBondContact O-N 3.13Å; Y199-E201 PolarHBondContact O-N 3.32Å; Y199-H202 PolarHBondContact O-N 3.48Å; Y199-L203 HydrophobicContact CD1-CD1 3.78Å; Y199-L203 HydrophobicContact CD1-CG 4.26Å; Y199-L203 HydrophobicContact CE1-CD1 3.27Å; Y199-L203 HydrophobicContact CE1-CD2 4.45Å; Y199-L203 HydrophobicContact CE1-CG 3.91Å; Y199-L203 WeakPolarHBondContact O-CG 3.49Å; Y199-L203 PolarHBondContact O-N 3.27Å
200Y90.6Very high85Confident33 Ų3353 Ų5313%0.12928%0.28CS..Hα-helixtrans-62.4-41.3177-72.3-60.8000112.6T183 Y185 Q196 K197 H202 L203 I204T183-Y200 PolarHBondContact OG1-OH 2.7Å; Y185-Y200 AromaticContact CD2-CD2 3.74Å; Y185-Y200 HydrophobicContact CD2-CD2 3.74Å; Y185-Y200 AromaticContact CD2-CE2 3.53Å; Y185-Y200 HydrophobicContact CD2-CE2 3.53Å; Y185-Y200 HydrophobicContact CD2-CG 4.39Å; Y185-Y200 AromaticContact CE2-CD2 3.94Å; Y185-Y200 HydrophobicContact CE2-CD2 3.94Å; Y185-Y200 HydrophobicContact CE2-CE2 4.03Å; Y185-Y200 HydrophobicContact CG-CD2 4.38Å; Y185-Y200 HydrophobicContact CG-CE2 4.31Å; Q196-Y200 HydrophobicContact CG-CD2 4.03Å; Q196-Y200 HydrophobicContact CG-CE2 3.6Å; Q196-Y200 WeakPolarHBondContact O-CD2 3.46Å; Q196-Y200 PolarHBondContact O-N 3.39Å; Q196-Y200 VanDerWaalsContact O-N 3.11Å; K197-Y200 PolarHBondContact O-N 3.1Å; Y200-H202 VanDerWaalsContact C-N 3.32Å; Y200-H202 PolarHBondContact O-N 3.33Å; Y200-L203 HydrophobicContact CD1-CD1 4.39Å; Y200-L203 PolarHBondContact O-N 3.29Å; Y200-I204 WeakPolarHBondContact O-CG1 3.29Å; Y200-I204 PolarHBondContact O-N 3.4Å; Y200-I204 VanDerWaalsContact O-N 3.16Å
201E93.5Very high86.9Confident16 Ų1648 Ų488%0.07525%0.245CC..Hα-helixtrans-59.2-44176.9-170.2-174.1177.200111.6F134 R137 R141 K197 L198 Y199 I204 H205 I208F134-E201 WeakPolarHBondContact CD1-OE2 3.49Å; F134-E201 WeakPolarHBondContact CE1-OE2 3.3Å; R137-E201 IonicContact CZ-OE1 2.74Å; R137-E201 IonicContact CZ-OE2 2.73Å; R137-E201 IonicContact NE-OE1 3.59Å; R137-E201 PolarHBondContact NE-OE1 3.42Å; R137-E201 IonicContact NE-OE2 2.65Å; R137-E201 PolarHBondContact NE-OE2 2.9Å; R137-E201 IonicContact NH2-OE1 2.76Å; R137-E201 IonicContact NH2-OE2 3.11Å; R137-E201 PolarHBondContact NH2-OE2 3.32Å; R141-E201 IonicContact CZ-OE1 2.66Å; R141-E201 IonicContact NH1-OE1 3.13Å; R141-E201 PolarHBondContact NH1-OE1 2.91Å; R141-E201 IonicContact NH2-OE1 3.61Å; R141-E201 PolarHBondContact NH2-OE1 2.87Å; K197-E201 WeakPolarHBondContact O-CB 3.34Å; K197-E201 PolarHBondContact O-N 2.8Å; L198-E201 PolarHBondContact O-N 2.94Å; Y199-E201 PolarHBondContact O-N 3.32Å; E201-I204 PolarHBondContact O-N 3.08Å; E201-H205 WeakPolarHBondContact O-CB 3.31Å; E201-H205 PolarHBondContact O-CD2 3.1Å; E201-H205 PolarHBondContact O-N 3.14Å; E201-I208 HydrophobicContact CB-CD1 3.9Å; E201-I208 HydrophobicContact CG-CD1 3.77Å; E201-I208 WeakPolarHBondContact OE2-CD1 3.24Å
202H90.7Very high88.8Confident20 Ų2043.9 Ų43.99%0.09322%0.223CC..Hα-helixtrans-68-38.2176.5-175.882.8000113.1F82 P83 L198 Y199 Y200 I204 H205 H206 I208F82-H202 HydrophobicContact CE1-CB 3.44Å; F82-H202 VanDerWaalsContact CE1-CB 3.44Å; F82-H202 AromaticContact CE1-CG 3.73Å; F82-H202 HydrophobicContact CZ-CB 3.31Å; F82-H202 AromaticContact CZ-CG 3.66Å; P83-H202 VanDerWaalsContact CB-NE2 3.33Å; P83-H202 WeakPolarHBondContact CB-NE2 3.5Å; P83-H202 VanDerWaalsContact CG-CE1 3.43Å; P83-H202 WeakPolarHBondContact CG-CE1 3.05Å; L198-H202 WeakPolarHBondContact O-CB 3.5Å; L198-H202 PolarHBondContact O-N 3.41Å; Y199-H202 PolarHBondContact O-N 3.48Å; Y200-H202 VanDerWaalsContact C-N 3.32Å; Y200-H202 PolarHBondContact O-N 3.33Å; H202-I204 PolarHBondContact O-N 2.64Å; H202-H205 PolarHBondContact O-N 3.42Å; H202-H206 AromaticContact NE2-ND1 3.97Å; H202-H206 VanDerWaalsContact O-CA 3.28Å; H202-H206 WeakPolarHBondContact O-CA 3.35Å; H202-H206 PolarHBondContact O-N 3.38Å; H202-H206 PolarHBondContact O-ND1 3.05Å; H202-I208 HydrophobicContact CB-CD1 4.32Å; H202-I208 PolarHBondContact ND1-O 3.01Å
203L89Confident89.9Confident80 Ų8043.5 Ų43.542%0.41922%0.22SC..Hα-helixtrans-60.2-31.6175.9-77.1-178.9000112.3Y199 Y200 H206Y199-L203 HydrophobicContact CD1-CD1 3.78Å; Y199-L203 HydrophobicContact CD1-CG 4.26Å; Y199-L203 HydrophobicContact CE1-CD1 3.27Å; Y199-L203 HydrophobicContact CE1-CD2 4.45Å; Y199-L203 HydrophobicContact CE1-CG 3.91Å; Y199-L203 WeakPolarHBondContact O-CG 3.49Å; Y199-L203 PolarHBondContact O-N 3.27Å; Y200-L203 HydrophobicContact CD1-CD1 4.39Å; Y200-L203 PolarHBondContact O-N 3.29Å; L203-H206 PolarHBondContact O-CE1 3.24Å; L203-H206 PolarHBondContact O-NE2 3.26Å
204I91Very high90.1Very high122 Ų12244.4 Ų44.463%0.62622%0.216SC*.Hα-helixtrans-85-43.9-179.8-63.3166.9000111.1Y200 E201 H202Y200-I204 WeakPolarHBondContact O-CG1 3.29Å; Y200-I204 PolarHBondContact O-N 3.4Å; Y200-I204 VanDerWaalsContact O-N 3.16Å; E201-I204 PolarHBondContact O-N 3.08Å; H202-I204 PolarHBondContact O-N 2.64Å
205H91.7Very high90.1Very high70 Ų7043.7 Ų43.732%0.32421%0.211SC..Hα-helixtrans-107.4-22.2-166.8-61.2-60.7000115R141 E201 H202 D207R141-H205 VanDerWaalsContact CZ-CD2 3.5Å; E201-H205 WeakPolarHBondContact O-CB 3.31Å; E201-H205 PolarHBondContact O-CD2 3.1Å; E201-H205 PolarHBondContact O-N 3.14Å; H202-H205 PolarHBondContact O-N 3.42Å; H205-D207 VanDerWaalsContact CB-OD1 3.24Å; H205-D207 WeakPolarHBondContact CB-OD1 3.4Å; H205-D207 PolarHBondContact O-N 2.85Å
206H90.7Very high90Very high95 Ų9541 Ų4144%0.4420%0.197SC..  trans49.439-178.8-55.7-67000114.1R158 H202 L203R158-H206 PolarHBondContact NH2-O 3.09Å; H202-H206 AromaticContact NE2-ND1 3.97Å; H202-H206 VanDerWaalsContact O-CA 3.28Å; H202-H206 WeakPolarHBondContact O-CA 3.35Å; H202-H206 PolarHBondContact O-N 3.38Å; H202-H206 PolarHBondContact O-ND1 3.05Å; L203-H206 PolarHBondContact O-CE1 3.24Å; L203-H206 PolarHBondContact O-NE2 3.26Å
207D93.1Very high89.6Confident5 Ų540.3 Ų40.33%0.02721%0.21CC..  trans-133.222.1-171.764.80.9000113.4R141 I159 L160 F161 H205R141-D207 IonicContact CZ-OD1 3.61Å; R141-D207 IonicContact CZ-OD2 3.41Å; R141-D207 IonicContact NE-OD1 2.69Å; R141-D207 IonicContact NE-OD2 2.78Å; R141-D207 PolarHBondContact NE-OD2 2.85Å; R141-D207 IonicContact NH2-OD1 2.8Å; R141-D207 PolarHBondContact NH2-OD1 3.4Å; R141-D207 IonicContact NH2-OD2 3.18Å; R141-D207 PolarHBondContact NH2-OD2 2.86Å; I159-D207 HydrophobicContact CG2-CB 4.09Å; I159-D207 VanDerWaalsContact O-CB 3.29Å; I159-D207 WeakPolarHBondContact O-CB 3.37Å; L160-D207 CarbonylContact C-O 3.51Å; L160-D207 WeakPolarHBondContact CA-O 3.34Å; F161-D207 PolarHBondContact N-O 2.99Å; H205-D207 VanDerWaalsContact CB-OD1 3.24Å; H205-D207 WeakPolarHBondContact CB-OD1 3.4Å; H205-D207 PolarHBondContact O-N 2.85Å
208I93Very high88.9Confident0 Ų041.7 Ų41.70%023%0.228CC..EExtended strand (participates in β ladder)trans-111.9130.8178.6-59.3179.3000109.4F82 P83 L163 L198 E201 H202F82-I208 HydrophobicContact CD1-CB 4.46Å; F82-I208 HydrophobicContact CD1-CG2 3.89Å; F82-I208 HydrophobicContact CE1-CB 4.21Å; F82-I208 HydrophobicContact CE1-CG2 4Å; P83-I208 VanDerWaalsContact CD-O 3.3Å; P83-I208 WeakPolarHBondContact CD-O 3.3Å; L163-I208 HydrophobicContact CD1-CG2 3.55Å; L163-I208 HydrophobicContact CG-CG2 4.13Å; L198-I208 HydrophobicContact CD2-CD1 4.09Å; E201-I208 HydrophobicContact CB-CD1 3.9Å; E201-I208 HydrophobicContact CG-CD1 3.77Å; E201-I208 WeakPolarHBondContact OE2-CD1 3.24Å; H202-I208 HydrophobicContact CB-CD1 4.32Å; H202-I208 PolarHBondContact ND1-O 3.01Å
209I93.3Very high88.6Confident0 Ų043.3 Ų43.30%024%0.237CC..EExtended strand (participates in β ladder)trans-120.6127.2164.4-67.4-63.9000108.7I80 Y88 Q91 F161 I162 L163 F211 F230I80-I209 HydrophobicContact CG2-CG2 4.49Å; Y88-I209 HydrophobicContact CD1-CD1 4.37Å; Q91-I209 VanDerWaalsContact CD-CD1 3.48Å; F161-I209 PolarHBondContact O-N 3.11Å; I162-I209 WeakPolarHBondContact CA-O 3.12Å; I162-I209 HydrophobicContact CD1-CB 3.87Å; I162-I209 HydrophobicContact CD1-CG1 4.45Å; I162-I209 HydrophobicContact CD1-CG2 4.31Å; L163-I209 PolarHBondContact N-O 3.44Å; I209-F211 HydrophobicContact CG2-CD2 4.2Å; I209-F211 HydrophobicContact CG2-CE1 4.14Å; I209-F211 HydrophobicContact CG2-CE2 3.67Å; I209-F211 HydrophobicContact CG2-CZ 3.61Å; I209-F230 HydrophobicContact CD1-CD2 4.03Å; I209-F230 HydrophobicContact CD1-CE1 4.44Å; I209-F230 HydrophobicContact CD1-CE2 3.36Å; I209-F230 HydrophobicContact CD1-CZ 3.61Å; I209-F230 HydrophobicContact CG1-CD2 4.28Å; I209-F230 HydrophobicContact CG1-CE1 4.25Å; I209-F230 HydrophobicContact CG1-CE2 3.91Å; I209-F230 HydrophobicContact CG1-CZ 3.9Å; I209-F230 HydrophobicContact CG2-CD2 4.42Å
210Q92.4Very high88.3Confident9 Ų943 Ų434%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-118.9129.8174.8-163.117926.600110.7I80 I81 F82 L163 G164I80-Q210 WeakPolarHBondContact CA-O 3.4Å; I81-Q210 HydrophobicContact CD1-CG 3.91Å; I81-Q210 HydrophobicContact CG1-CB 4.02Å; I81-Q210 HydrophobicContact CG1-CG 3.89Å; I81-Q210 WeakPolarHBondContact CG1-O 2.98Å; I81-Q210 PolarHBondContact N-O 3.21Å; F82-Q210 HydrophobicContact CB-CB 3.72Å; F82-Q210 PolarHBondContact N-O 3.31Å; F82-Q210 PolarHBondContact O-N 3.15Å; L163-Q210 HydrophobicContact CB-CB 4.29Å; L163-Q210 HydrophobicContact CB-CG 3.99Å; L163-Q210 WeakPolarHBondContact O-CA 3.3Å; G164-Q210 WeakPolarHBondContact O-CG 3.47Å; G164-Q210 PolarHBondContact O-NE2 3.31Å
211F92.8Very high88.2Confident1 Ų142.5 Ų42.50%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-101.5155.5176.9-66-72.4000112.2W78 K79 I80 I162 L163 I209 F213 G226 F230W78-F211 HydrophobicContact CB-CB 4.31Å; W78-F211 HydrophobicContact CB-CD1 3.61Å; W78-F211 HydrophobicContact CB-CE1 4.22Å; W78-F211 HydrophobicContact CB-CG 4.15Å; K79-F211 CarbonylContact O-C 3.53Å; K79-F211 WeakPolarHBondContact O-CA 3.45Å; I80-F211 HydrophobicContact CD1-CE1 4.42Å; I80-F211 HydrophobicContact CG1-CD1 3.9Å; I80-F211 HydrophobicContact CG1-CE1 3.6Å; I162-F211 HydrophobicContact CG2-CD2 3.83Å; I162-F211 HydrophobicContact CG2-CE2 3.61Å; L163-F211 PolarHBondContact O-N 2.94Å; I209-F211 HydrophobicContact CG2-CD2 4.2Å; I209-F211 HydrophobicContact CG2-CE1 4.14Å; I209-F211 HydrophobicContact CG2-CE2 3.67Å; I209-F211 HydrophobicContact CG2-CZ 3.61Å; F211-F213 HydrophobicContact CB-CD1 3.61Å; F211-F213 HydrophobicContact CB-CE1 3.19Å; F211-F213 HydrophobicContact CB-CZ 3.89Å; F211-F213 HydrophobicContact CD2-CE1 4.02Å; F211-F213 HydrophobicContact CD2-CZ 4.26Å; F211-F213 AromaticContact CG-CE1 3.85Å; F211-F213 HydrophobicContact CG-CE1 3.85Å; F211-F213 HydrophobicContact CG-CZ 4.47Å; F211-F213 PolarHBondContact O-N 3.36Å; F211-G226 WeakPolarHBondContact CZ-O 3.42Å; F211-F230 HydrophobicContact CZ-CB 4.15Å
212D89.5Confident88.1Confident54 Ų5443.1 Ų43.129%0.28924%0.242SC..EExtended strand (participates in β ladder)trans-78.956.6-179.2-158.7-2.6000113.4K79 I81 K165K79-D212 HydrophobicContact CB-CB 4.02Å; K79-D212 HydrophobicContact CD-CB 4.45Å; K79-D212 HydrophobicContact CG-CB 4.46Å; K79-D212 IonicContact NZ-OD2 2.75Å; K79-D212 PolarHBondContact O-N 3.26Å; I81-D212 HydrophobicContact CG2-CB 3.64Å; K165-D212 WeakPolarHBondContact CE-OD1 3.29Å; K165-D212 IonicContact NZ-OD1 3.2Å; K165-D212 PolarHBondContact NZ-OD1 3.02Å
213F88.8Confident88.1Confident9 Ų942.4 Ų42.44%0.03924%0.239CC..EExtended strand (participates in β ladder)trans-141.5149.5169.457.9-103.8000110.5W78 G164 K165 F211 D215 N219 N222 K223W78-F213 AromaticContact CD2-CD1 3.8Å; W78-F213 HydrophobicContact CD2-CD1 3.8Å; W78-F213 HydrophobicContact CD2-CE1 4.32Å; W78-F213 HydrophobicContact CE3-CB 4.32Å; W78-F213 AromaticContact CE3-CD1 3.75Å; W78-F213 HydrophobicContact CE3-CD1 3.75Å; W78-F213 HydrophobicContact CG-CD1 4.22Å; W78-F213 HydrophobicContact CG-CE1 4.31Å; W78-F213 HydrophobicContact CH2-CB 4.39Å; W78-F213 HydrophobicContact CZ3-CB 3.96Å; W78-F213 HydrophobicContact CZ3-CD1 4.17Å; G164-F213 CarbonylContact C-O 3.59Å; G164-F213 VanDerWaalsContact CA-O 3.32Å; G164-F213 WeakPolarHBondContact CA-O 3.42Å; K165-F213 WeakPolarHBondContact CG-O 3.17Å; K165-F213 PolarHBondContact N-O 3.1Å; F211-F213 HydrophobicContact CB-CD1 3.61Å; F211-F213 HydrophobicContact CB-CE1 3.19Å; F211-F213 HydrophobicContact CB-CZ 3.89Å; F211-F213 HydrophobicContact CD2-CE1 4.02Å; F211-F213 HydrophobicContact CD2-CZ 4.26Å; F211-F213 AromaticContact CG-CE1 3.85Å; F211-F213 HydrophobicContact CG-CE1 3.85Å; F211-F213 HydrophobicContact CG-CZ 4.47Å; F211-F213 PolarHBondContact O-N 3.36Å; F213-D215 PolarHBondContact O-N 2.96Å; F213-N219 HydrophobicContact CD2-CB 3.99Å; F213-N222 HydrophobicContact CD1-CB 3.74Å; F213-N222 HydrophobicContact CD2-CB 4.2Å; F213-N222 HydrophobicContact CE1-CB 3.63Å; F213-N222 HydrophobicContact CE2-CB 4.16Å; F213-N222 HydrophobicContact CG-CB 4.03Å; F213-N222 HydrophobicContact CZ-CB 3.89Å; F213-K223 HydrophobicContact CE2-CG 3.69Å; F213-K223 HydrophobicContact CZ-CB 4.23Å; F213-K223 HydrophobicContact CZ-CG 3.52Å
214I87.9Confident88.2Confident54 Ų5439.1 Ų39.128%0.27722%0.221SC..EExtended strand (participates in β ladder)trans-64.4127.8-179.5-61.6173.1000109.2K165 D167 N216 N219K165-I214 HydrophobicContact CG-CG1 4.46Å; K165-I214 CarbonylContact O-C 3.56Å; K165-I214 WeakPolarHBondContact O-CA 3.14Å; D167-I214 HydrophobicContact CB-CG2 3.85Å; I214-N216 HydrophobicContact CG2-CB 4.46Å; I214-N216 PolarHBondContact O-N 2.84Å; I214-N219 WeakPolarHBondContact O-CB 3.38Å; I214-N219 PolarHBondContact O-ND2 2.93Å
215D84Confident88.2Confident19 Ų1934.2 Ų34.210%0.10220%0.196CC..  trans-77.882-178.5-157.2-19000111H130 G164 K165 F213 K223H130-D215 VanDerWaalsContact CD2-CG 3.48Å; H130-D215 IonicContact CD2-OD1 3.2Å; H130-D215 IonicContact CD2-OD2 3.69Å; G164-D215 PolarHBondContact N-OD2 3.27Å; K165-D215 WeakPolarHBondContact O-CB 3.43Å; K165-D215 PolarHBondContact O-N 3.43Å; F213-D215 PolarHBondContact O-N 2.96Å; D215-K223 VanDerWaalsContact CG-CE 3.42Å; D215-K223 WeakPolarHBondContact OD1-CE 3.1Å; D215-K223 IonicContact OD1-NZ 2.98Å; D215-K223 PolarHBondContact OD1-NZ 3.42Å; D215-K223 VanDerWaalsContact OD2-CE 3.29Å; D215-K223 WeakPolarHBondContact OD2-CE 3.07Å; D215-K223 IonicContact OD2-NZ 3.85Å; D215-K223 PolarHBondContact OD2-NZ 2.81Å
216N82.6Confident88.2Confident60 Ų6030.9 Ų30.932%0.32118%0.181SC..SBendtrans-132.8167.5176.965.721.4000111.4I214 S218 N219 L220I214-N216 HydrophobicContact CG2-CB 4.46Å; I214-N216 PolarHBondContact O-N 2.84Å; N216-S218 PolarHBondContact O-N 2.82Å; N216-S218 PolarHBondContact OD1-N 3.42Å; N216-S218 PolarHBondContact OD1-OG 3.11Å; N216-N219 PolarHBondContact O-N 2.82Å; N216-N219 WeakPolarHBondContact OD1-CB 3.4Å; N216-N219 VanDerWaalsContact OD1-CG 3.27Å; N216-N219 PolarHBondContact OD1-N 2.98Å; N216-N219 VanDerWaalsContact OD1-N 3.07Å; N216-N219 PolarHBondContact OD1-ND2 3.28Å; N216-N219 VanDerWaalsContact OD1-ND2 3.13Å; N216-L220 PolarHBondContact O-N 2.9Å
217G77.3Confident88.3Confident60 Ų6026.4 Ų26.462%0.61916%0.16SC*.G310 helixtrans-54.7-35.5-177.400000114.1N219 L220G217-N219 VanDerWaalsContact C-N 3.3Å; G217-N219 PolarHBondContact O-N 3.3Å; G217-L220 WeakPolarHBondContact O-CG 3.45Å; G217-L220 PolarHBondContact O-N 2.65Å
218S75.9Confident88.3Confident97 Ų9726.2 Ų26.268%0.67816%0.159SC*.G310 helixtrans-73.1-20.5179.153.30000113.7N216N216-S218 PolarHBondContact O-N 2.82Å; N216-S218 PolarHBondContact OD1-N 3.42Å; N216-S218 PolarHBondContact OD1-OG 3.11Å
219N83.2Confident88.2Confident38 Ų3826.4 Ų26.420%0.20316%0.16CC..G310 helixtrans-101.89.5179.4-69.1-30000113.2F213 I214 N216 G217 L221 N222F213-N219 HydrophobicContact CD2-CB 3.99Å; I214-N219 WeakPolarHBondContact O-CB 3.38Å; I214-N219 PolarHBondContact O-ND2 2.93Å; N216-N219 PolarHBondContact O-N 2.82Å; N216-N219 WeakPolarHBondContact OD1-CB 3.4Å; N216-N219 VanDerWaalsContact OD1-CG 3.27Å; N216-N219 PolarHBondContact OD1-N 2.98Å; N216-N219 VanDerWaalsContact OD1-N 3.07Å; N216-N219 PolarHBondContact OD1-ND2 3.28Å; N216-N219 VanDerWaalsContact OD1-ND2 3.13Å; G217-N219 VanDerWaalsContact C-N 3.3Å; G217-N219 PolarHBondContact O-N 3.3Å; N219-L221 PolarHBondContact O-N 3.25Å; N219-N222 WeakPolarHBondContact O-CB 3.36Å; N219-N222 PolarHBondContact O-N 2.91Å; N219-N222 PolarHBondContact OD1-ND2 2.81Å
220L84.4Confident88.1Confident62 Ų6226.5 Ų26.533%0.32516%0.16SC..Hα-helixtrans-57.2-34.1176.2-74.6178000112.8N216 G217 N222 K223N216-L220 PolarHBondContact O-N 2.9Å; G217-L220 WeakPolarHBondContact O-CG 3.45Å; G217-L220 PolarHBondContact O-N 2.65Å; L220-N222 VanDerWaalsContact C-N 3.3Å; L220-N222 PolarHBondContact O-N 2.79Å; L220-K223 WeakPolarHBondContact O-CB 3.49Å; L220-K223 PolarHBondContact O-N 3.33Å
221L87.7Confident88Confident22 Ų2226 Ų2612%0.11516%0.158CC..Hα-helixtrans-60.5-39.4173.8172.359.9000111.9N219 K223 W224 I225 F326 M332 D335 L338N219-L221 PolarHBondContact O-N 3.25Å; L221-K223 PolarHBondContact O-N 2.78Å; L221-W224 PolarHBondContact O-N 3.19Å; L221-I225 HydrophobicContact CD1-CD1 3.92Å; L221-I225 HydrophobicContact CD1-CG1 3.96Å; L221-I225 HydrophobicContact CD2-CD1 4.15Å; L221-I225 HydrophobicContact CG-CD1 3.72Å; L221-I225 HydrophobicContact CG-CG1 4.19Å; L221-I225 WeakPolarHBondContact O-CG1 3.08Å; L221-I225 PolarHBondContact O-N 2.83Å; L221-F326 HydrophobicContact CD1-CE1 4.39Å; L221-M332 WeakPolarHBondContact CD2-O 3.5Å; L221-D335 HydrophobicContact CD1-CB 3.97Å; L221-L338 HydrophobicContact CD1-CD2 3.69Å; L221-L338 HydrophobicContact CD2-CD2 3.87Å; L221-L338 HydrophobicContact CG-CD2 4.4Å
222N90.3Very high87.8Confident28 Ų2826.2 Ų26.215%0.1516%0.159CC..Hα-helixtrans-65.1-29.3-178.3-62.7-28.2000111.9W78 F213 N219 L220 G226W78-N222 HydrophobicContact CZ2-CB 3.83Å; W78-N222 VanDerWaalsContact CZ2-OD1 3.3Å; W78-N222 WeakPolarHBondContact CZ2-OD1 3.14Å; F213-N222 HydrophobicContact CD1-CB 3.74Å; F213-N222 HydrophobicContact CD2-CB 4.2Å; F213-N222 HydrophobicContact CE1-CB 3.63Å; F213-N222 HydrophobicContact CE2-CB 4.16Å; F213-N222 HydrophobicContact CG-CB 4.03Å; F213-N222 HydrophobicContact CZ-CB 3.89Å; N219-N222 WeakPolarHBondContact O-CB 3.36Å; N219-N222 PolarHBondContact O-N 2.91Å; N219-N222 PolarHBondContact OD1-ND2 2.81Å; L220-N222 VanDerWaalsContact C-N 3.3Å; L220-N222 PolarHBondContact O-N 2.79Å; N222-G226 PolarHBondContact O-N 2.95Å
223K91.6Very high87.6Confident6 Ų626.3 Ų26.33%0.02616%0.157CC..Hα-helixtrans-60.8-45.8170.8-70.2-174.9179.1-178.70111.5R128 S129 I162 F213 D215 L220 L221 S227R128-K223 HydrophobicContact CB-CD 4.01Å; R128-K223 HydrophobicContact CG-CB 3.99Å; R128-K223 HydrophobicContact CG-CD 3.98Å; S129-K223 PolarHBondContact O-NZ 3.33Å; I162-K223 HydrophobicContact CG2-CB 4.12Å; I162-K223 HydrophobicContact CG2-CG 4.28Å; F213-K223 HydrophobicContact CE2-CG 3.69Å; F213-K223 HydrophobicContact CZ-CB 4.23Å; F213-K223 HydrophobicContact CZ-CG 3.52Å; D215-K223 VanDerWaalsContact CG-CE 3.42Å; D215-K223 WeakPolarHBondContact OD1-CE 3.1Å; D215-K223 IonicContact OD1-NZ 2.98Å; D215-K223 PolarHBondContact OD1-NZ 3.42Å; D215-K223 VanDerWaalsContact OD2-CE 3.29Å; D215-K223 WeakPolarHBondContact OD2-CE 3.07Å; D215-K223 IonicContact OD2-NZ 3.85Å; D215-K223 PolarHBondContact OD2-NZ 2.81Å; L220-K223 WeakPolarHBondContact O-CB 3.49Å; L220-K223 PolarHBondContact O-N 3.33Å; L221-K223 PolarHBondContact O-N 2.78Å; K223-S227 VanDerWaalsContact O-CB 3.28Å; K223-S227 WeakPolarHBondContact O-CB 3.39Å; K223-S227 PolarHBondContact O-N 2.98Å; K223-S227 PolarHBondContact O-OG 2.93Å
224W90.7Very high87.4Confident11 Ų1128 Ų284%0.04216%0.163CC..Hα-helixtrans-68.5-44178.9-70.8132.8000112.8I126 R128 L221 G226 S227 I228 L245 L246 D335I126-W224 HydrophobicContact CG2-CZ3 3.92Å; R128-W224 VanDerWaalsContact CD-CE2 3.43Å; R128-W224 VanDerWaalsContact CD-CZ2 3.47Å; R128-W224 HydrophobicContact CG-CD2 4.31Å; R128-W224 HydrophobicContact CG-CE3 4.24Å; R128-W224 HydrophobicContact CG-CH2 3.54Å; R128-W224 HydrophobicContact CG-CZ2 3.7Å; R128-W224 HydrophobicContact CG-CZ3 3.83Å; R128-W224 VanDerWaalsContact NE-CZ2 3.32Å; L221-W224 PolarHBondContact O-N 3.19Å; W224-G226 PolarHBondContact O-N 2.82Å; W224-S227 PolarHBondContact O-N 2.8Å; W224-I228 WeakPolarHBondContact O-CB 3.42Å; W224-I228 VanDerWaalsContact O-CG1 3.29Å; W224-I228 WeakPolarHBondContact O-CG1 3.32Å; W224-I228 PolarHBondContact O-N 3.29Å; W224-L245 HydrophobicContact CD2-CB 4.48Å; W224-L245 HydrophobicContact CD2-CD1 4.18Å; W224-L245 HydrophobicContact CE3-CB 3.89Å; W224-L245 HydrophobicContact CE3-CD1 3.8Å; W224-L245 HydrophobicContact CE3-CD2 3.79Å; W224-L245 HydrophobicContact CE3-CG 4.02Å; W224-L245 HydrophobicContact CH2-CB 3.39Å; W224-L245 HydrophobicContact CH2-CG 4.38Å; W224-L245 HydrophobicContact CZ2-CB 3.97Å; W224-L245 HydrophobicContact CZ3-CB 3.34Å; W224-L245 HydrophobicContact CZ3-CD1 4.14Å; W224-L245 HydrophobicContact CZ3-CD2 3.61Å; W224-L245 HydrophobicContact CZ3-CG 3.86Å; W224-L246 WeakPolarHBondContact CH2-O 3.44Å; W224-D335 PolarHBondContact NE1-OD2 2.71Å
225I91.6Very high87.2Confident19 Ų1925.9 Ų25.910%0.09715%0.153CC..Hα-helixtrans-58.1-50.2176.5-66.7179.4000110.3L77 L221 S227 I228 D229 F326L77-I225 HydrophobicContact CB-CG2 4Å; L77-I225 HydrophobicContact CD1-CG2 3.25Å; L77-I225 HydrophobicContact CG-CG2 4.24Å; L221-I225 HydrophobicContact CD1-CD1 3.92Å; L221-I225 HydrophobicContact CD1-CG1 3.96Å; L221-I225 HydrophobicContact CD2-CD1 4.15Å; L221-I225 HydrophobicContact CG-CD1 3.72Å; L221-I225 HydrophobicContact CG-CG1 4.19Å; L221-I225 WeakPolarHBondContact O-CG1 3.08Å; L221-I225 PolarHBondContact O-N 2.83Å; I225-S227 PolarHBondContact O-N 2.99Å; I225-I228 PolarHBondContact O-N 3.42Å; I225-D229 WeakPolarHBondContact O-CB 3.27Å; I225-D229 PolarHBondContact O-N 2.78Å; I225-F326 HydrophobicContact CD1-CD1 4.31Å; I225-F326 HydrophobicContact CG1-CB 4.17Å; I225-F326 HydrophobicContact CG1-CD1 3.76Å; I225-F326 HydrophobicContact CG1-CE1 4.3Å; I225-F326 HydrophobicContact CG1-CG 3.95Å; I225-F326 HydrophobicContact CG2-CB 4.39Å
226G91.6Very high86.7Confident0 Ų031.9 Ų31.90%018%0.183CC..Hα-helixtrans-61.6-41.8177.400000112.3F211 N222 W224 D229 F230F211-G226 WeakPolarHBondContact CZ-O 3.42Å; N222-G226 PolarHBondContact O-N 2.95Å; W224-G226 PolarHBondContact O-N 2.82Å; G226-D229 PolarHBondContact O-N 3.34Å; G226-F230 VanDerWaalsContact O-CB 3.3Å; G226-F230 WeakPolarHBondContact O-CB 3.43Å; G226-F230 PolarHBondContact O-N 2.61Å
227S92.5Very high86Confident0 Ų032.8 Ų32.80%019%0.187CC..Hα-helixtrans-60.9-50.1177.2-59.20000112I162 K223 W224 I225 D229 F230 I231I162-S227 WeakPolarHBondContact CG1-OG 3.12Å; K223-S227 VanDerWaalsContact O-CB 3.28Å; K223-S227 WeakPolarHBondContact O-CB 3.39Å; K223-S227 PolarHBondContact O-N 2.98Å; K223-S227 PolarHBondContact O-OG 2.93Å; W224-S227 PolarHBondContact O-N 2.8Å; I225-S227 PolarHBondContact O-N 2.99Å; S227-D229 VanDerWaalsContact C-N 3.31Å; S227-D229 PolarHBondContact O-N 2.89Å; S227-F230 WeakPolarHBondContact O-CB 3.44Å; S227-F230 PolarHBondContact O-N 2.68Å; S227-I231 VanDerWaalsContact O-CD1 3.29Å; S227-I231 WeakPolarHBondContact O-CD1 3.28Å; S227-I231 WeakPolarHBondContact O-CG1 3.47Å; S227-I231 PolarHBondContact O-N 3.29Å
228I93.2Very high85.7Confident1 Ų131.1 Ų31.11%0.00516%0.164CC..Hα-helixtrans-63.4-40.8-178.6-68.6-71.7000110.4W224 I225 V232 L245 L314 V319 L322 R323 F326W224-I228 WeakPolarHBondContact O-CB 3.42Å; W224-I228 VanDerWaalsContact O-CG1 3.29Å; W224-I228 WeakPolarHBondContact O-CG1 3.32Å; W224-I228 PolarHBondContact O-N 3.29Å; I225-I228 PolarHBondContact O-N 3.42Å; I228-V232 WeakPolarHBondContact O-CB 3.47Å; I228-V232 VanDerWaalsContact O-CG2 3.26Å; I228-V232 WeakPolarHBondContact O-CG2 3.42Å; I228-V232 PolarHBondContact O-N 2.63Å; I228-V232 VanDerWaalsContact O-N 3.08Å; I228-L245 HydrophobicContact CD1-CD1 4.36Å; I228-L314 HydrophobicContact CD1-CD1 4.22Å; I228-V319 HydrophobicContact CD1-CB 4.45Å; I228-V319 HydrophobicContact CD1-CG1 3.86Å; I228-V319 HydrophobicContact CD1-CG2 4.25Å; I228-V319 HydrophobicContact CG2-CG1 4.35Å; I228-V319 WeakPolarHBondContact CG2-O 3.1Å; I228-L322 HydrophobicContact CD1-CD1 4.36Å; I228-L322 HydrophobicContact CG2-CB 4.13Å; I228-R323 HydrophobicContact CG2-CB 3.8Å; I228-F326 HydrophobicContact CB-CD2 4.32Å; I228-F326 HydrophobicContact CB-CE2 4.34Å; I228-F326 HydrophobicContact CG1-CD2 4.45Å; I228-F326 HydrophobicContact CG1-CE2 3.97Å; I228-F326 HydrophobicContact CG2-CD2 4.11Å; I228-F326 HydrophobicContact CG2-CE2 4.35Å
229D91.2Very high85.5Confident5 Ų535.4 Ų35.43%0.02717%0.174CC..Hα-helixtrans-61-49.3172.317850.9000113.1P76 L77 I225 G226 S227 I231 V232 K233 R323P76-D229 WeakPolarHBondContact CA-OD2 3.23Å; P76-D229 VanDerWaalsContact CB-OD2 3.26Å; P76-D229 WeakPolarHBondContact CB-OD2 3.41Å; L77-D229 HydrophobicContact CB-CB 4.29Å; L77-D229 HydrophobicContact CD1-CB 4.29Å; L77-D229 HydrophobicContact CG-CB 4.21Å; L77-D229 PolarHBondContact N-OD2 3.34Å; I225-D229 WeakPolarHBondContact O-CB 3.27Å; I225-D229 PolarHBondContact O-N 2.78Å; G226-D229 PolarHBondContact O-N 3.34Å; S227-D229 VanDerWaalsContact C-N 3.31Å; S227-D229 PolarHBondContact O-N 2.89Å; D229-I231 VanDerWaalsContact C-N 3.3Å; D229-I231 PolarHBondContact O-N 2.98Å; D229-V232 PolarHBondContact O-N 3.28Å; D229-K233 VanDerWaalsContact O-CB 3.27Å; D229-K233 WeakPolarHBondContact O-CB 3.37Å; D229-K233 PolarHBondContact O-N 3.29Å; D229-R323 VanDerWaalsContact CG-NE 3.31Å; D229-R323 IonicContact OD1-CZ 3.35Å; D229-R323 IonicContact OD1-NE 3.9Å; D229-R323 PolarHBondContact OD1-NE 3.01Å; D229-R323 IonicContact OD1-NH2 2.7Å; D229-R323 PolarHBondContact OD1-NH2 3.04Å
230F91Very high85.6Confident1 Ų134 Ų340%0.00417%0.166CC..Hα-helixtrans-54.8-47.7177.7177.7-89.7000111.6I80 Y88 Q91 L160 I209 F211 G226 S227 K233 Y234I80-F230 HydrophobicContact CD1-CD2 3.65Å; I80-F230 HydrophobicContact CD1-CE2 4.03Å; Y88-F230 AromaticContact CD1-CE2 3.89Å; Y88-F230 HydrophobicContact CD1-CE2 3.89Å; Y88-F230 HydrophobicContact CG-CE2 4.08Å; Q91-F230 HydrophobicContact CB-CZ 4.08Å; L160-F230 HydrophobicContact CD1-CD1 4.16Å; L160-F230 HydrophobicContact CD1-CE1 3.62Å; I209-F230 HydrophobicContact CD1-CD2 4.03Å; I209-F230 HydrophobicContact CD1-CE1 4.44Å; I209-F230 HydrophobicContact CD1-CE2 3.36Å; I209-F230 HydrophobicContact CD1-CZ 3.61Å; I209-F230 HydrophobicContact CG1-CD2 4.28Å; I209-F230 HydrophobicContact CG1-CE1 4.25Å; I209-F230 HydrophobicContact CG1-CE2 3.91Å; I209-F230 HydrophobicContact CG1-CZ 3.9Å; I209-F230 HydrophobicContact CG2-CD2 4.42Å; F211-F230 HydrophobicContact CZ-CB 4.15Å; G226-F230 VanDerWaalsContact O-CB 3.3Å; G226-F230 WeakPolarHBondContact O-CB 3.43Å; G226-F230 PolarHBondContact O-N 2.61Å; S227-F230 WeakPolarHBondContact O-CB 3.44Å; S227-F230 PolarHBondContact O-N 2.68Å; F230-K233 PolarHBondContact O-N 3.04Å; F230-Y234 AromaticContact CD2-CD2 3.41Å; F230-Y234 HydrophobicContact CD2-CD2 3.41Å; F230-Y234 VanDerWaalsContact CD2-CD2 3.41Å; F230-Y234 AromaticContact CD2-CE2 3.79Å; F230-Y234 HydrophobicContact CD2-CE2 3.79Å; F230-Y234 AromaticContact CE2-CD2 3.55Å; F230-Y234 HydrophobicContact CE2-CD2 3.55Å; F230-Y234 HydrophobicContact CE2-CE2 4.08Å; F230-Y234 HydrophobicContact CE2-CG 4.34Å; F230-Y234 AromaticContact CG-CD2 3.98Å; F230-Y234 HydrophobicContact CG-CD2 3.98Å; F230-Y234 HydrophobicContact CZ-CD2 4.23Å; F230-Y234 WeakPolarHBondContact O-CB 3.3Å; F230-Y234 VanDerWaalsContact O-CD2 3.3Å; F230-Y234 WeakPolarHBondContact O-CD2 3.32Å; F230-Y234 PolarHBondContact O-N 3.06Å
231I90.7Very high85.9Confident0 Ų031.4 Ų31.40%015%0.153CC..Hα-helixtrans-63.5-49.1-177.6-64.7162.3000110.7L124 I126 S227 D229 K233 C235 T243 M316 V319L124-I231 HydrophobicContact CD2-CB 4.36Å; L124-I231 HydrophobicContact CD2-CD1 3.95Å; L124-I231 HydrophobicContact CD2-CG1 3.63Å; L124-I231 HydrophobicContact CD2-CG2 3.88Å; I126-I231 HydrophobicContact CD1-CD1 3.67Å; I126-I231 HydrophobicContact CD1-CG1 4.05Å; I126-I231 HydrophobicContact CG1-CD1 3.61Å; S227-I231 VanDerWaalsContact O-CD1 3.29Å; S227-I231 WeakPolarHBondContact O-CD1 3.28Å; S227-I231 WeakPolarHBondContact O-CG1 3.47Å; S227-I231 PolarHBondContact O-N 3.29Å; D229-I231 VanDerWaalsContact C-N 3.3Å; D229-I231 PolarHBondContact O-N 2.98Å; I231-K233 VanDerWaalsContact C-N 3.27Å; I231-K233 PolarHBondContact O-N 2.78Å; I231-C235 HydrophobicContact CG2-CB 4.17Å; I231-C235 WeakPolarHBondContact O-CA 3.13Å; I231-C235 WeakPolarHBondContact O-CB 3.35Å; I231-C235 PolarHBondContact O-N 3.24Å; I231-T243 HydrophobicContact CD1-CG2 3.74Å; I231-M316 HydrophobicContact CG2-CE 3.82Å; I231-M316 HydrophobicContact CG2-SD 3.96Å; I231-V319 HydrophobicContact CB-CG1 4.32Å; I231-V319 HydrophobicContact CG2-CG1 3.9Å
232V89Confident86.2Confident4 Ų430.4 Ų30.42%0.02415%0.148CC..Hα-helixtrans-64.7-34.7-178.1170.10000111.8I70 H71 I228 D229 V319 Q320 R323I70-V232 HydrophobicContact CD1-CG1 4.34Å; I70-V232 HydrophobicContact CG2-CG1 3.23Å; H71-V232 PolarHBondContact CE1-O 2.86Å; H71-V232 VanDerWaalsContact CE1-O 3.25Å; H71-V232 PolarHBondContact ND1-O 3.14Å; I228-V232 WeakPolarHBondContact O-CB 3.47Å; I228-V232 VanDerWaalsContact O-CG2 3.26Å; I228-V232 WeakPolarHBondContact O-CG2 3.42Å; I228-V232 PolarHBondContact O-N 2.63Å; I228-V232 VanDerWaalsContact O-N 3.08Å; D229-V232 PolarHBondContact O-N 3.28Å; V232-V319 HydrophobicContact CG2-CG1 3.75Å; V232-Q320 HydrophobicContact CG2-CG 4.29Å; V232-R323 HydrophobicContact CB-CB 4.3Å; V232-R323 HydrophobicContact CB-CG 4.23Å; V232-R323 HydrophobicContact CG1-CB 4.34Å; V232-R323 HydrophobicContact CG1-CG 4.1Å; V232-R323 HydrophobicContact CG2-CB 3.86Å; V232-R323 HydrophobicContact CG2-CG 4.34Å
233K85.1Confident86.4Confident57 Ų5729 Ų2925%0.24814%0.14CC..Hα-helixtrans-79.6-43.3-177.9-173.1166.3177.9158.90113.4L74 D229 F230 I231L74-K233 PolarHBondContact O-NZ 3.03Å; D229-K233 VanDerWaalsContact O-CB 3.27Å; D229-K233 WeakPolarHBondContact O-CB 3.37Å; D229-K233 PolarHBondContact O-N 3.29Å; F230-K233 PolarHBondContact O-N 3.04Å; I231-K233 VanDerWaalsContact C-N 3.27Å; I231-K233 PolarHBondContact O-N 2.78Å
234Y84.2Confident86.7Confident43 Ų4328.8 Ų28.817%0.16914%0.139CC..Hα-helixtrans-112.7-19.5-167.6-55.5-64.7000114.7I80 Y88 F230I80-Y234 HydrophobicContact CD1-CE2 3.81Å; Y88-Y234 HydrophobicContact CD2-CD1 4.27Å; Y88-Y234 AromaticContact CD2-CE1 3.71Å; Y88-Y234 HydrophobicContact CD2-CE1 3.71Å; Y88-Y234 HydrophobicContact CD2-CE2 4.04Å; Y88-Y234 AromaticContact CD2-CZ 3.57Å; Y88-Y234 HydrophobicContact CG-CD1 4.36Å; Y88-Y234 HydrophobicContact CG-CD2 4.32Å; Y88-Y234 HydrophobicContact CG-CE1 4.24Å; Y88-Y234 HydrophobicContact CG-CE2 4.19Å; Y88-Y234 HydrophobicContact CG-CG 4.39Å; F230-Y234 AromaticContact CD2-CD2 3.41Å; F230-Y234 HydrophobicContact CD2-CD2 3.41Å; F230-Y234 VanDerWaalsContact CD2-CD2 3.41Å; F230-Y234 AromaticContact CD2-CE2 3.79Å; F230-Y234 HydrophobicContact CD2-CE2 3.79Å; F230-Y234 AromaticContact CE2-CD2 3.55Å; F230-Y234 HydrophobicContact CE2-CD2 3.55Å; F230-Y234 HydrophobicContact CE2-CE2 4.08Å; F230-Y234 HydrophobicContact CE2-CG 4.34Å; F230-Y234 AromaticContact CG-CD2 3.98Å; F230-Y234 HydrophobicContact CG-CD2 3.98Å; F230-Y234 HydrophobicContact CZ-CD2 4.23Å; F230-Y234 WeakPolarHBondContact O-CB 3.3Å; F230-Y234 VanDerWaalsContact O-CD2 3.3Å; F230-Y234 WeakPolarHBondContact O-CD2 3.32Å; F230-Y234 PolarHBondContact O-N 3.06Å
235C83.6Confident87Confident10 Ų1028.5 Ų28.57%0.06814%0.139CC..SBendtrans-91.1135.9179.7-55.40000111.5C92 I231C92-C235 HydrophobicContact CB-CB 3.39Å; C92-C235 WeakPolarHBondContact CB-SG 3.45Å; C92-C235 WeakPolarHBondContact SG-CA 3.29Å; C92-C235 WeakPolarHBondContact SG-CB 3.45Å; C92-C235 PolarHBondContact SG-N 3.46Å; C92-C235 VanDerWaalsContact SG-N 3.4Å; C92-C235 CovalentContact SG-SG 2.03Å; C92-C235 PolarHBondContact SG-SG 3.31Å; I231-C235 HydrophobicContact CG2-CB 4.17Å; I231-C235 WeakPolarHBondContact O-CA 3.13Å; I231-C235 WeakPolarHBondContact O-CB 3.35Å; I231-C235 PolarHBondContact O-N 3.24Å
236M73.1Confident87.2Confident145 Ų14527.7 Ų27.771%0.71413%0.134SC*.PPolyproline II helixtrans-75.5142.1174.7-59.6-171.588.800110.5L93L93-M236 HydrophobicContact CD2-SD 4.5Å
237I67.6Low87.3Confident80 Ų8028.6 Ų28.641%0.4114%0.139SC..PPolyproline II helixtrans-86.1123177-56.2160.5000107.9M316I237-M316 HydrophobicContact CG1-CE 4.08Å; I237-M316 HydrophobicContact CG2-CB 4.29Å
238T72.1Confident87.4Confident24 Ų2429.5 Ų29.515%0.14714%0.144CC..PPolyproline II helixtrans-103.1162.9168.880.50000109.6H96 D122 K240 S241H96-T238 WeakPolarHBondContact NE2-CG2 3.29Å; D122-T238 VanDerWaalsContact OD2-CB 3.22Å; D122-T238 WeakPolarHBondContact OD2-CB 3.28Å; D122-T238 WeakPolarHBondContact OD2-CG2 3.45Å; D122-T238 PolarHBondContact OD2-OG1 2.91Å; T238-K240 PolarHBondContact O-N 2.97Å; T238-K240 VanDerWaalsContact O-N 3.08Å; T238-S241 PolarHBondContact OG1-OG 2.73Å
239E71Confident87.5Confident187 Ų18730.3 Ų30.387%0.87415%0.148SC*.THydrogen-bonded Turntrans-56.7-28.7-175.3-66.2-173.2168.400113.7Y269E239-Y269 WeakPolarHBondContact O-CE1 3.42Å
240K85.1Confident87.6Confident8 Ų830 Ų304%0.03515%0.147CC..THydrogen-bonded Turntrans-14269.3180-167.3167.3174.41710111.3Q119 I121 D122 T238 F242 L261 I264 Y269Q119-K240 HydrophobicContact CG-CD 4.22Å; I121-K240 HydrophobicContact CG1-CD 4.03Å; I121-K240 HydrophobicContact CG1-CG 4.29Å; D122-K240 PolarHBondContact N-O 2.76Å; T238-K240 PolarHBondContact O-N 2.97Å; T238-K240 VanDerWaalsContact O-N 3.08Å; K240-F242 HydrophobicContact CD-CE2 4.42Å; K240-F242 HydrophobicContact CG-CE2 3.76Å; K240-F242 HydrophobicContact CG-CZ 4.37Å; K240-L261 VanDerWaalsContact CE-O 3.32Å; K240-L261 WeakPolarHBondContact CE-O 3.21Å; K240-L261 PolarHBondContact NZ-O 3.13Å; K240-L261 VanDerWaalsContact NZ-O 3.14Å; K240-I264 PolarHBondContact NZ-O 2.87Å; K240-I264 VanDerWaalsContact NZ-O 3.15Å; K240-Y269 HydrophobicContact CG-CE2 4.41Å
241S90.7Very high87.8Confident8 Ų830 Ų306%0.05615%0.147CC..EExtended strand (participates in β ladder)trans-100.1133.3173-82.30000112.1D122 T238 Y269 M316D122-S241 CarbonylContact O-C 3.57Å; D122-S241 WeakPolarHBondContact O-CA 3.24Å; T238-S241 PolarHBondContact OG1-OG 2.73Å; S241-Y269 PolarHBondContact N-OH 3.01Å; S241-Y269 VanDerWaalsContact O-CE2 3.27Å; S241-Y269 WeakPolarHBondContact O-CE2 3.26Å; S241-Y269 PolarHBondContact O-OH 3.15Å; S241-M316 PolarHBondContact O-N 2.69Å
242F94.8Very high88.1Confident1 Ų130 Ų300%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-115.8141.4171.9-65.7-86.7000110.9I121 D122 I123 L124 K240 L244 L261 I264 Y269 Y272 I313 L314I121-F242 HydrophobicContact CG2-CD2 3.93Å; I121-F242 HydrophobicContact CG2-CE2 4.2Å; D122-F242 PolarHBondContact O-N 2.91Å; I123-F242 CarbonylContact C-O 3.58Å; I123-F242 WeakPolarHBondContact CA-O 3.48Å; L124-F242 PolarHBondContact N-O 2.66Å; K240-F242 HydrophobicContact CD-CE2 4.42Å; K240-F242 HydrophobicContact CG-CE2 3.76Å; K240-F242 HydrophobicContact CG-CZ 4.37Å; F242-L244 HydrophobicContact CB-CD1 4.3Å; F242-L261 HydrophobicContact CB-CD1 4.28Å; F242-L261 HydrophobicContact CB-CD2 4.36Å; F242-L261 HydrophobicContact CD1-CD2 3.77Å; F242-L261 HydrophobicContact CD2-CB 4.24Å; F242-L261 HydrophobicContact CD2-CD1 3.92Å; F242-L261 HydrophobicContact CD2-CD2 3.9Å; F242-L261 HydrophobicContact CD2-CG 4.23Å; F242-L261 HydrophobicContact CE1-CD2 3.95Å; F242-L261 HydrophobicContact CE2-CB 4.01Å; F242-L261 HydrophobicContact CE2-CD2 4.07Å; F242-L261 HydrophobicContact CE2-CG 4.41Å; F242-L261 HydrophobicContact CG-CD1 4.17Å; F242-L261 HydrophobicContact CG-CD2 3.74Å; F242-L261 HydrophobicContact CG-CG 4.47Å; F242-L261 HydrophobicContact CZ-CB 4.49Å; F242-L261 HydrophobicContact CZ-CD2 4.09Å; F242-I264 HydrophobicContact CD1-CD1 4.47Å; F242-I264 HydrophobicContact CE1-CD1 3.48Å; F242-I264 VanDerWaalsContact CE1-CD1 3.48Å; F242-I264 HydrophobicContact CE1-CG2 4.5Å; F242-I264 HydrophobicContact CZ-CB 4.22Å; F242-I264 HydrophobicContact CZ-CD1 3.56Å; F242-I264 HydrophobicContact CZ-CG1 4.49Å; F242-I264 HydrophobicContact CZ-CG2 4.26Å; F242-Y269 HydrophobicContact CD1-CE2 4.27Å; F242-Y269 AromaticContact CE1-CD2 3.72Å; F242-Y269 HydrophobicContact CE1-CD2 3.72Å; F242-Y269 AromaticContact CE1-CE2 3.89Å; F242-Y269 HydrophobicContact CE1-CE2 3.89Å; F242-Y269 HydrophobicContact CE2-CD2 4.31Å; F242-Y269 HydrophobicContact CE2-CE2 4.21Å; F242-Y269 AromaticContact CZ-CD2 3.59Å; F242-Y269 HydrophobicContact CZ-CD2 3.59Å; F242-Y269 AromaticContact CZ-CE2 3.86Å; F242-Y269 HydrophobicContact CZ-CE2 3.86Å; F242-Y272 HydrophobicContact CD1-CD1 4.34Å; F242-Y272 AromaticContact CE1-CD1 3.99Å; F242-Y272 HydrophobicContact CE1-CD1 3.99Å; F242-Y272 HydrophobicContact CE1-CE1 4.4Å; F242-Y272 HydrophobicContact CE1-CG 4.44Å; F242-I313 HydrophobicContact CD1-CG2 4.28Å; F242-L314 CarbonylContact C-O 3.56Å; F242-L314 VanDerWaalsContact CA-O 3.31Å; F242-L314 WeakPolarHBondContact CA-O 3.31Å
243T95Very high88.4Confident0 Ų030.9 Ų30.90%015%0.151CC..EExtended strand (participates in β ladder)trans-108.3125.1170.1-60.90000108.4L124 I126 I231 L245 L314 V319L124-T243 CarbonylContact O-C 3.52Å; L124-T243 WeakPolarHBondContact O-CA 3.36Å; I126-T243 HydrophobicContact CG1-CG2 3.83Å; I231-T243 HydrophobicContact CD1-CG2 3.74Å; T243-L245 HydrophobicContact CG2-CD2 3.68Å; T243-L245 HydrophobicContact CG2-CG 4.46Å; T243-L314 PolarHBondContact N-O 3.06Å; T243-L314 PolarHBondContact O-N 3.19Å; T243-V319 HydrophobicContact CG2-CG2 4.32Å
244L96.9Very high89Confident0 Ų028.1 Ų28.10%014%0.139CC..EExtended strand (participates in β ladder)trans-105.9127.8169.6-74.171.8000109I123 L124 L125 I126 F242 L246 L252 L257 I312 I313I123-L244 HydrophobicContact CG2-CD1 3.42Å; I123-L244 VanDerWaalsContact CG2-CD1 3.42Å; L124-L244 PolarHBondContact O-N 3.03Å; L125-L244 HydrophobicContact CD2-CB 3.96Å; L125-L244 HydrophobicContact CD2-CD1 4.38Å; L125-L244 HydrophobicContact CD2-CD2 4.03Å; L125-L244 HydrophobicContact CD2-CG 4.35Å; I126-L244 PolarHBondContact N-O 3.13Å; F242-L244 HydrophobicContact CB-CD1 4.3Å; L244-L246 HydrophobicContact CB-CD1 3.62Å; L244-L246 HydrophobicContact CD2-CD1 4.32Å; L244-L252 HydrophobicContact CD2-CD1 4.1Å; L244-L252 HydrophobicContact CD2-CD2 4.15Å; L244-L257 HydrophobicContact CD2-CD1 3.82Å; L244-L257 HydrophobicContact CD2-CD2 3.51Å; L244-L257 HydrophobicContact CD2-CG 4.33Å; L244-I312 CarbonylContact C-O 3.53Å; L244-I312 VanDerWaalsContact CA-O 3.29Å; L244-I312 WeakPolarHBondContact CA-O 3.46Å; L244-I313 HydrophobicContact CD1-CG2 4.11Å; L244-I313 HydrophobicContact CD2-CG1 4.35Å; L244-I313 HydrophobicContact CG-CB 4.46Å; L244-I313 HydrophobicContact CG-CG1 4.09Å; L244-I313 HydrophobicContact CG-CG2 4.24Å
245L96Very high89.5Confident6 Ų627.4 Ų27.43%0.03114%0.137CC..EExtended strand (participates in β ladder)trans-101.1115.5173.1-54.2-174.3000107.2I126 W224 I228 T243 I312 L314I126-L245 HydrophobicContact CB-CD2 3.82Å; I126-L245 HydrophobicContact CG1-CD2 4.07Å; I126-L245 HydrophobicContact CG2-CD2 4.1Å; W224-L245 HydrophobicContact CD2-CB 4.48Å; W224-L245 HydrophobicContact CD2-CD1 4.18Å; W224-L245 HydrophobicContact CE3-CB 3.89Å; W224-L245 HydrophobicContact CE3-CD1 3.8Å; W224-L245 HydrophobicContact CE3-CD2 3.79Å; W224-L245 HydrophobicContact CE3-CG 4.02Å; W224-L245 HydrophobicContact CH2-CB 3.39Å; W224-L245 HydrophobicContact CH2-CG 4.38Å; W224-L245 HydrophobicContact CZ2-CB 3.97Å; W224-L245 HydrophobicContact CZ3-CB 3.34Å; W224-L245 HydrophobicContact CZ3-CD1 4.14Å; W224-L245 HydrophobicContact CZ3-CD2 3.61Å; W224-L245 HydrophobicContact CZ3-CG 3.86Å; I228-L245 HydrophobicContact CD1-CD1 4.36Å; T243-L245 HydrophobicContact CG2-CD2 3.68Å; T243-L245 HydrophobicContact CG2-CG 4.46Å; L245-I312 HydrophobicContact CB-CB 4.11Å; L245-I312 HydrophobicContact CB-CD1 4.43Å; L245-I312 HydrophobicContact CD1-CD1 4.44Å; L245-I312 PolarHBondContact N-O 3.25Å; L245-I312 PolarHBondContact O-N 2.72Å; L245-L314 HydrophobicContact CD1-CD1 3.85Å; L245-L314 HydrophobicContact CG-CD1 4.25Å
246L95.8Very high90.1Very high1 Ų128 Ų281%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-130.9161.5-179-62.6118.3000111.9L125 I126 I127 R128 W224 L244 L252 T311L125-L246 HydrophobicContact CD2-CD1 4.21Å; I126-L246 PolarHBondContact O-N 2.82Å; I127-L246 CarbonylContact C-O 3.48Å; I127-L246 VanDerWaalsContact CA-O 3.31Å; I127-L246 WeakPolarHBondContact CA-O 3.36Å; R128-L246 PolarHBondContact N-O 2.75Å; W224-L246 WeakPolarHBondContact CH2-O 3.44Å; L244-L246 HydrophobicContact CB-CD1 3.62Å; L244-L246 HydrophobicContact CD2-CD1 4.32Å; L246-L252 HydrophobicContact CD2-CD1 4.39Å; L246-T311 HydrophobicContact CD2-CG2 3.87Å; L246-T311 WeakPolarHBondContact CD2-OG1 3.39Å; L246-T311 HydrophobicContact CG-CG2 4.27Å
247D94.4Very high91.2Very high20 Ų2021.1 Ų21.111%0.10711%0.106CC..EExtended strand (participates in β ladder)trans-94.8156.3165.1-68.1-34.6000110.8R128 D249 S250 H376R128-D247 IonicContact CZ-OD1 3.94Å; R128-D247 IonicContact NE-OD1 2.75Å; R128-D247 PolarHBondContact NE-OD1 3.21Å; R128-D247 IonicContact NH2-OD1 2.75Å; R128-D247 PolarHBondContact NH2-OD1 3.14Å; R128-D247 IonicContact NH2-OD2 2.64Å; R128-D247 PolarHBondContact NH2-OD2 3.37Å; D247-D249 WeakPolarHBondContact CB-OD1 3.41Å; D247-D249 PolarHBondContact O-N 3.24Å; D247-S250 VanDerWaalsContact O-CB 3.25Å; D247-S250 WeakPolarHBondContact O-CB 3.3Å; D247-S250 PolarHBondContact O-N 3.42Å; D247-S250 PolarHBondContact O-OG 2.94Å; D247-H376 IonicContact OD2-NE2 3.66Å
248D95.5Very high92.5Very high18 Ų1817.5 Ų17.510%0.0969%0.087CC..THydrogen-bonded Turntrans-70.8-10.1-179.466.5-5.4000113.8I127 R128 S129 N133 Q136 I140 S250I127-D248 HydrophobicContact CG2-CB 3.74Å; R128-D248 WeakPolarHBondContact O-CB 3.26Å; R128-D248 PolarHBondContact O-N 2.84Å; S129-D248 VanDerWaalsContact CA-OD2 3.26Å; S129-D248 WeakPolarHBondContact CA-OD2 3.45Å; S129-D248 VanDerWaalsContact CB-OD2 3.24Å; S129-D248 WeakPolarHBondContact CB-OD2 3.24Å; S129-D248 PolarHBondContact OG-OD2 3.07Å; N133-D248 WeakPolarHBondContact CB-OD2 3.47Å; N133-D248 PolarHBondContact ND2-OD2 2.85Å; Q136-D248 HydrophobicContact CG-CB 3.82Å; Q136-D248 VanDerWaalsContact CG-O 3.24Å; Q136-D248 WeakPolarHBondContact CG-O 3.06Å; Q136-D248 PolarHBondContact NE2-O 3.41Å; I140-D248 HydrophobicContact CD1-CB 3.95Å; I140-D248 WeakPolarHBondContact CD1-O 3.43Å; D248-S250 VanDerWaalsContact C-N 3.35Å
249D94.4Very high93.5Very high18 Ų1820.1 Ų20.110%0.09610%0.098CC..THydrogen-bonded Turntrans-9415.5168.767.3-14.1000113.1D247 H376 G377 Y378 N379D247-D249 WeakPolarHBondContact CB-OD1 3.41Å; D247-D249 PolarHBondContact O-N 3.24Å; D249-H376 VanDerWaalsContact CG-NE2 3.26Å; D249-H376 IonicContact OD1-CD2 3.32Å; D249-H376 PolarHBondContact OD1-CD2 2.87Å; D249-H376 IonicContact OD1-CE1 2.71Å; D249-H376 PolarHBondContact OD1-CE1 3.43Å; D249-H376 IonicContact OD1-NE2 3.06Å; D249-H376 PolarHBondContact OD1-NE2 3.21Å; D249-H376 IonicContact OD2-CE1 3.34Å; D249-H376 PolarHBondContact OD2-CE1 2.94Å; D249-H376 IonicContact OD2-ND1 3.5Å; D249-H376 IonicContact OD2-NE2 2.73Å; D249-H376 PolarHBondContact OD2-NE2 2.65Å; D249-G377 PolarHBondContact O-N 3.37Å; D249-Y378 PolarHBondContact O-N 3.22Å; D249-N379 VanDerWaalsContact CB-OD1 3.25Å; D249-N379 WeakPolarHBondContact CB-OD1 3.38Å; D249-N379 PolarHBondContact OD2-OD1 3.18Å
250S94.5Very high94.7Very high0 Ų012.6 Ų12.60%06%0.064CC..EExtended strand (participates in β ladder)trans-91.3149173-60.70000112W144 D247 D248 H376W144-S250 VanDerWaalsContact CE2-O 3.28Å; W144-S250 WeakPolarHBondContact CZ2-O 3.36Å; W144-S250 PolarHBondContact NE1-O 2.9Å; W144-S250 VanDerWaalsContact NE1-O 3.11Å; D247-S250 VanDerWaalsContact O-CB 3.25Å; D247-S250 WeakPolarHBondContact O-CB 3.3Å; D247-S250 PolarHBondContact O-N 3.42Å; D247-S250 PolarHBondContact O-OG 2.94Å; D248-S250 VanDerWaalsContact C-N 3.35Å; S250-H376 PolarHBondContact OG-CD2 3.02Å
251F95Very high95.2Very high0 Ų012.2 Ų12.20%06%0.062CC..EExtended strand (participates in β ladder)trans-113124.7164.3-169.9-77.5000109.6W144 F372 S374 N375 Y378 I384 L387 W388 L391W144-F251 AromaticContact CD1-CD2 3.63Å; W144-F251 AromaticContact CD1-CE2 3.92Å; W144-F251 AromaticContact CD1-CG 4Å; F251-F372 AromaticContact CD1-CE2 3.87Å; F251-F372 HydrophobicContact CD1-CE2 3.87Å; F251-F372 AromaticContact CD1-CZ 3.96Å; F251-F372 HydrophobicContact CD1-CZ 3.96Å; F251-F372 HydrophobicContact CE1-CE2 4.33Å; F251-F372 HydrophobicContact CE1-CZ 4Å; F251-S374 CarbonylContact O-C 3.55Å; F251-S374 WeakPolarHBondContact O-CA 3.47Å; F251-S374 WeakPolarHBondContact O-CB 3.47Å; F251-N375 PolarHBondContact N-O 2.82Å; F251-N375 PolarHBondContact O-N 3.35Å; F251-Y378 HydrophobicContact CB-CD1 4.44Å; F251-Y378 HydrophobicContact CB-CD2 3.58Å; F251-Y378 HydrophobicContact CB-CE1 4.38Å; F251-Y378 HydrophobicContact CB-CE2 3.49Å; F251-Y378 VanDerWaalsContact CB-CE2 3.49Å; F251-Y378 HydrophobicContact CB-CG 4.09Å; F251-I384 HydrophobicContact CD2-CG2 4.01Å; F251-I384 HydrophobicContact CE2-CG2 4.18Å; F251-L387 HydrophobicContact CB-CD2 4.11Å; F251-L387 HydrophobicContact CD1-CD2 3.56Å; F251-L387 HydrophobicContact CD1-CG 4.35Å; F251-L387 HydrophobicContact CD2-CB 4.15Å; F251-L387 HydrophobicContact CD2-CD2 3.69Å; F251-L387 HydrophobicContact CD2-CG 4.15Å; F251-L387 HydrophobicContact CE1-CD2 3.8Å; F251-L387 HydrophobicContact CE1-CG 4.11Å; F251-L387 HydrophobicContact CE2-CB 3.91Å; F251-L387 HydrophobicContact CE2-CD2 3.93Å; F251-L387 HydrophobicContact CE2-CG 3.9Å; F251-L387 HydrophobicContact CG-CD2 3.5Å; F251-L387 VanDerWaalsContact CG-CD2 3.5Å; F251-L387 HydrophobicContact CG-CG 4.37Å; F251-L387 HydrophobicContact CZ-CB 4.34Å; F251-L387 HydrophobicContact CZ-CD2 3.98Å; F251-L387 HydrophobicContact CZ-CG 3.87Å; F251-W388 HydrophobicContact CE2-CB 4.17Å; F251-W388 HydrophobicContact CE2-CE3 4.5Å; F251-W388 HydrophobicContact CZ-CB 4.35Å; F251-W388 HydrophobicContact CZ-CE3 4.03Å; F251-L391 HydrophobicContact CE1-CD1 3.89Å; F251-L391 HydrophobicContact CZ-CD1 4.1Å
252L96.1Very high95.3Very high0 Ų017 Ų170%08%0.079CC..EExtended strand (participates in β ladder)trans-105.2138.1178.5-174.266.9000109.8L125 W144 L244 L246 P254 L257 I373L125-L252 HydrophobicContact CD1-CD2 4.46Å; L125-L252 HydrophobicContact CD2-CD2 3.89Å; W144-L252 HydrophobicContact CB-CB 4.4Å; W144-L252 WeakPolarHBondContact CB-O 3.41Å; W144-L252 HydrophobicContact CD2-CB 3.97Å; W144-L252 HydrophobicContact CE3-CB 3.72Å; W144-L252 HydrophobicContact CE3-CD2 4.13Å; W144-L252 HydrophobicContact CG-CB 4.3Å; W144-L252 HydrophobicContact CZ3-CB 4.26Å; W144-L252 HydrophobicContact CZ3-CD2 4.34Å; L244-L252 HydrophobicContact CD2-CD1 4.1Å; L244-L252 HydrophobicContact CD2-CD2 4.15Å; L246-L252 HydrophobicContact CD2-CD1 4.39Å; L252-P254 VanDerWaalsContact O-CD 3.28Å; L252-P254 WeakPolarHBondContact O-CD 3.48Å; L252-L257 HydrophobicContact CD1-CD2 4.1Å; L252-L257 HydrophobicContact CD2-CD2 3.74Å; L252-L257 HydrophobicContact CG-CD2 4.16Å; L252-I373 HydrophobicContact CD1-CG2 4.46Å; L252-I373 WeakPolarHBondContact CD1-O 3.34Å
253H96.2Very high95.3Very high22 Ų2225.6 Ų25.610%0.10211%0.111CC..  trans-94.7104.4173.3-169.7-48.1000110.1I255 N256 L257 F372 I373H253-I255 PolarHBondContact ND1-N 2.93Å; H253-I255 PolarHBondContact O-N 3.46Å; H253-N256 HydrophobicContact CB-CB 4.17Å; H253-N256 PolarHBondContact CD2-ND2 3.05Å; H253-N256 VanDerWaalsContact CD2-ND2 3.33Å; H253-N256 PolarHBondContact ND1-N 3.38Å; H253-N256 PolarHBondContact O-N 2.93Å; H253-L257 WeakPolarHBondContact O-CB 3.25Å; H253-L257 PolarHBondContact O-N 3.12Å; H253-F372 HydrophobicContact CB-CD2 4.41Å; H253-F372 HydrophobicContact CB-CE2 3.99Å; H253-F372 HydrophobicContact CB-CZ 4.06Å; H253-F372 WeakPolarHBondContact CB-O 3.28Å; H253-F372 AromaticContact CD2-CE1 3.78Å; H253-F372 AromaticContact CD2-CZ 3.96Å; H253-I373 PolarHBondContact N-O 3.24Å
254P96.2Very high95.2Very high0 Ų026 Ų260%011%0.113CC..Hα-helixtrans-57.3-47.4-170.8-27.636.3000113.9W144 C149 Y150 L252 L257 I258 W388 M393W144-P254 HydrophobicContact CB-CG 4.38Å; C149-P254 VanDerWaalsContact SG-CB 3.58Å; Y150-P254 HydrophobicContact CD1-CB 4.44Å; Y150-P254 HydrophobicContact CE1-CB 3.84Å; Y150-P254 HydrophobicContact CE2-CB 4.02Å; Y150-P254 HydrophobicContact CE2-CG 4.21Å; L252-P254 VanDerWaalsContact O-CD 3.28Å; L252-P254 WeakPolarHBondContact O-CD 3.48Å; P254-L257 PolarHBondContact O-N 3.08Å; P254-I258 VanDerWaalsContact O-CG1 3.25Å; P254-I258 WeakPolarHBondContact O-CG1 3.5Å; P254-I258 PolarHBondContact O-N 2.98Å; P254-W388 HydrophobicContact CG-CH2 4.41Å; P254-W388 HydrophobicContact CG-CZ3 4.07Å; P254-M393 HydrophobicContact CG-CE 4.18Å
255I95.1Very high95.1Very high27 Ų2729.1 Ų29.114%0.13813%0.132CC..Hα-helixtrans-67.2-46.2-175.2-56.3172.1000111.4F153 H253 L257 I258 Q259 M393 A396F153-I255 HydrophobicContact CD2-CG1 4.45Å; F153-I255 HydrophobicContact CE2-CD1 4.03Å; F153-I255 HydrophobicContact CE2-CG1 3.73Å; F153-I255 HydrophobicContact CZ-CD1 3.85Å; F153-I255 HydrophobicContact CZ-CG1 3.89Å; H253-I255 PolarHBondContact ND1-N 2.93Å; H253-I255 PolarHBondContact O-N 3.46Å; I255-L257 VanDerWaalsContact C-N 3.31Å; I255-L257 PolarHBondContact O-N 3.32Å; I255-I258 PolarHBondContact O-N 3.42Å; I255-Q259 WeakPolarHBondContact O-CG 3.27Å; I255-Q259 PolarHBondContact O-N 2.73Å; I255-M393 HydrophobicContact CD1-CE 4.28Å; I255-M393 HydrophobicContact CG1-CE 4.42Å; I255-A396 HydrophobicContact CD1-CB 3.59Å
256N95.9Very high94.8Very high24 Ų2434.1 Ų34.113%0.12816%0.159CC..Hα-helixtrans-64.1-38177.9-65.9-10.9000111.2H253 Q259 L260 F372H253-N256 HydrophobicContact CB-CB 4.17Å; H253-N256 PolarHBondContact CD2-ND2 3.05Å; H253-N256 VanDerWaalsContact CD2-ND2 3.33Å; H253-N256 PolarHBondContact ND1-N 3.38Å; H253-N256 PolarHBondContact O-N 2.93Å; N256-Q259 PolarHBondContact O-N 2.75Å; N256-L260 PolarHBondContact O-N 2.89Å; N256-F372 WeakPolarHBondContact CB-O 3.35Å; N256-F372 PolarHBondContact ND2-O 3.04Å
257L96.5Very high94.7Very high0 Ų038.8 Ų38.80%019%0.188CC..Hα-helixtrans-59.6-50.9171.4174.763.7000111.4I123 Y150 L244 L252 H253 P254 I255 Q259 L260 L261 I313 I373I123-L257 HydrophobicContact CD1-CD2 4.15Å; Y150-L257 HydrophobicContact CE1-CD2 4.33Å; L244-L257 HydrophobicContact CD2-CD1 3.82Å; L244-L257 HydrophobicContact CD2-CD2 3.51Å; L244-L257 HydrophobicContact CD2-CG 4.33Å; L252-L257 HydrophobicContact CD1-CD2 4.1Å; L252-L257 HydrophobicContact CD2-CD2 3.74Å; L252-L257 HydrophobicContact CG-CD2 4.16Å; H253-L257 WeakPolarHBondContact O-CB 3.25Å; H253-L257 PolarHBondContact O-N 3.12Å; P254-L257 PolarHBondContact O-N 3.08Å; I255-L257 VanDerWaalsContact C-N 3.31Å; I255-L257 PolarHBondContact O-N 3.32Å; L257-Q259 VanDerWaalsContact C-N 3.27Å; L257-Q259 PolarHBondContact O-N 3.43Å; L257-L260 HydrophobicContact CD1-CD2 4.46Å; L257-L260 WeakPolarHBondContact O-CB 3.27Å; L257-L260 PolarHBondContact O-N 3.17Å; L257-L260 VanDerWaalsContact O-N 3.11Å; L257-L261 HydrophobicContact CD1-CD1 3.92Å; L257-L261 HydrophobicContact CD1-CD2 4.2Å; L257-L261 HydrophobicContact CD1-CG 3.86Å; L257-L261 HydrophobicContact CG-CD1 4Å; L257-L261 HydrophobicContact CG-CG 4.27Å; L257-L261 WeakPolarHBondContact O-CG 3.14Å; L257-L261 PolarHBondContact O-N 2.87Å; L257-I313 HydrophobicContact CD1-CD1 4.05Å; L257-I373 HydrophobicContact CD1-CG2 4.38Å
258I94.7Very high94.7Very high3 Ų342.1 Ų42.12%0.01520%0.202CC..Hα-helixtrans-58.4-42.4179.7-68.5168.2000110.9Y150 F153 V155 P254 I255 L261 R262Y150-I258 HydrophobicContact CD1-CD1 3.77Å; Y150-I258 HydrophobicContact CD1-CG1 4.02Å; Y150-I258 HydrophobicContact CG-CD1 4.42Å; F153-I258 HydrophobicContact CB-CD1 3.82Å; F153-I258 HydrophobicContact CD2-CD1 4.22Å; F153-I258 HydrophobicContact CG-CD1 4.28Å; V155-I258 HydrophobicContact CB-CD1 4.22Å; V155-I258 HydrophobicContact CB-CG1 4.34Å; V155-I258 HydrophobicContact CG1-CG1 4.4Å; V155-I258 HydrophobicContact CG2-CD1 4.14Å; V155-I258 HydrophobicContact CG2-CG1 4.02Å; V155-I258 HydrophobicContact CG2-CG2 3.8Å; P254-I258 VanDerWaalsContact O-CG1 3.25Å; P254-I258 WeakPolarHBondContact O-CG1 3.5Å; P254-I258 PolarHBondContact O-N 2.98Å; I255-I258 PolarHBondContact O-N 3.42Å; I258-L261 PolarHBondContact O-N 3.4Å; I258-R262 HydrophobicContact CG2-CG 4.49Å; I258-R262 WeakPolarHBondContact O-CB 3.25Å; I258-R262 WeakPolarHBondContact O-CG 3.3Å; I258-R262 PolarHBondContact O-N 2.94Å
259Q94.5Very high94.7Very high79 Ų7942 Ų4237%0.36920%0.201SC..Hα-helixtrans-62.3-41.7176.4-71.9179.711.900112.3I255 N256 L257 R263I255-Q259 WeakPolarHBondContact O-CG 3.27Å; I255-Q259 PolarHBondContact O-N 2.73Å; N256-Q259 PolarHBondContact O-N 2.75Å; L257-Q259 VanDerWaalsContact C-N 3.27Å; L257-Q259 PolarHBondContact O-N 3.43Å; Q259-R263 WeakPolarHBondContact O-CG 3.43Å; Q259-R263 PolarHBondContact O-N 2.91Å
260L95.3Very high94.7Very high29 Ų2949.3 Ų49.315%0.15223%0.227CC..Hα-helixtrans-58.4-55.2173.2176.980.6000110.6N256 L257 R262 R263 I313 L353 I373N256-L260 PolarHBondContact O-N 2.89Å; L257-L260 HydrophobicContact CD1-CD2 4.46Å; L257-L260 WeakPolarHBondContact O-CB 3.27Å; L257-L260 PolarHBondContact O-N 3.17Å; L257-L260 VanDerWaalsContact O-N 3.11Å; L260-R262 VanDerWaalsContact C-N 3.27Å; L260-R262 PolarHBondContact O-N 3.43Å; L260-R263 WeakPolarHBondContact O-CB 3.36Å; L260-R263 PolarHBondContact O-N 2.71Å; L260-I313 HydrophobicContact CD2-CD1 3.57Å; L260-L353 HydrophobicContact CD1-CD1 4.47Å; L260-L353 HydrophobicContact CD1-CD2 4.02Å; L260-L353 HydrophobicContact CD2-CD1 3.85Å; L260-I373 HydrophobicContact CB-CD1 4.44Å; L260-I373 HydrophobicContact CD1-CD1 4.17Å; L260-I373 HydrophobicContact CD2-CD1 4.01Å; L260-I373 HydrophobicContact CG-CD1 4.42Å
261L95Very high94.7Very high0 Ų053.4 Ų53.40%025%0.248CC..Hα-helixtrans-64.2-31.7-172.7-62.9-177.9000112.9I121 I123 K240 F242 L257 I258 R263 I264 I313I121-L261 HydrophobicContact CD1-CB 4.36Å; I121-L261 HydrophobicContact CG2-CB 4.48Å; I121-L261 HydrophobicContact CG2-CD1 4.33Å; I123-L261 HydrophobicContact CD1-CD1 3.48Å; I123-L261 VanDerWaalsContact CD1-CD1 3.48Å; I123-L261 HydrophobicContact CG1-CD1 3.83Å; K240-L261 VanDerWaalsContact CE-O 3.32Å; K240-L261 WeakPolarHBondContact CE-O 3.21Å; K240-L261 PolarHBondContact NZ-O 3.13Å; K240-L261 VanDerWaalsContact NZ-O 3.14Å; F242-L261 HydrophobicContact CB-CD1 4.28Å; F242-L261 HydrophobicContact CB-CD2 4.36Å; F242-L261 HydrophobicContact CD1-CD2 3.77Å; F242-L261 HydrophobicContact CD2-CB 4.24Å; F242-L261 HydrophobicContact CD2-CD1 3.92Å; F242-L261 HydrophobicContact CD2-CD2 3.9Å; F242-L261 HydrophobicContact CD2-CG 4.23Å; F242-L261 HydrophobicContact CE1-CD2 3.95Å; F242-L261 HydrophobicContact CE2-CB 4.01Å; F242-L261 HydrophobicContact CE2-CD2 4.07Å; F242-L261 HydrophobicContact CE2-CG 4.41Å; F242-L261 HydrophobicContact CG-CD1 4.17Å; F242-L261 HydrophobicContact CG-CD2 3.74Å; F242-L261 HydrophobicContact CG-CG 4.47Å; F242-L261 HydrophobicContact CZ-CB 4.49Å; F242-L261 HydrophobicContact CZ-CD2 4.09Å; L257-L261 HydrophobicContact CD1-CD1 3.92Å; L257-L261 HydrophobicContact CD1-CD2 4.2Å; L257-L261 HydrophobicContact CD1-CG 3.86Å; L257-L261 HydrophobicContact CG-CD1 4Å; L257-L261 HydrophobicContact CG-CG 4.27Å; L257-L261 WeakPolarHBondContact O-CG 3.14Å; L257-L261 PolarHBondContact O-N 2.87Å; I258-L261 PolarHBondContact O-N 3.4Å; L261-R263 VanDerWaalsContact C-N 3.34Å; L261-R263 PolarHBondContact O-N 2.92Å; L261-I264 HydrophobicContact CD2-CD1 3.81Å; L261-I264 PolarHBondContact O-N 3.48Å; L261-I313 HydrophobicContact CD2-CG2 3.91Å
262R93.7Very high94.8Very high109 Ų10953.8 Ų53.841%0.41125%0.25SC..Hα-helixtrans-64.8-35.2173.9-79.4178.1166.71570.7113.2I121 F153 I258 L260 I264I121-R262 HydrophobicContact CD1-CB 4.42Å; I121-R262 HydrophobicContact CD1-CG 3.54Å; F153-R262 PolarHBondContact O-NH2 2.92Å; I258-R262 HydrophobicContact CG2-CG 4.49Å; I258-R262 WeakPolarHBondContact O-CB 3.25Å; I258-R262 WeakPolarHBondContact O-CG 3.3Å; I258-R262 PolarHBondContact O-N 2.94Å; L260-R262 VanDerWaalsContact C-N 3.27Å; L260-R262 PolarHBondContact O-N 3.43Å; R262-I264 VanDerWaalsContact C-N 3.27Å; R262-I264 PolarHBondContact O-N 2.69Å
263R94.1Very high94.9Very high181 Ų18153.8 Ų53.868%0.68325%0.25SC*.Hα-helixtrans-73.9-17.6-178.8-69.1171.7-177.2172.54.3113.4Q259 L260 L261 T265Q259-R263 WeakPolarHBondContact O-CG 3.43Å; Q259-R263 PolarHBondContact O-N 2.91Å; L260-R263 WeakPolarHBondContact O-CB 3.36Å; L260-R263 PolarHBondContact O-N 2.71Å; L261-R263 VanDerWaalsContact C-N 3.34Å; L261-R263 PolarHBondContact O-N 2.92Å; R263-T265 PolarHBondContact O-N 3.14Å
264I94.5Very high95Very high9 Ų952.8 Ų52.85%0.04625%0.245CC..  trans-69.1120.5179.5-58.9168.8000109.4K240 F242 L261 R262 Q268 Y272K240-I264 PolarHBondContact NZ-O 2.87Å; K240-I264 VanDerWaalsContact NZ-O 3.15Å; F242-I264 HydrophobicContact CD1-CD1 4.47Å; F242-I264 HydrophobicContact CE1-CD1 3.48Å; F242-I264 VanDerWaalsContact CE1-CD1 3.48Å; F242-I264 HydrophobicContact CE1-CG2 4.5Å; F242-I264 HydrophobicContact CZ-CB 4.22Å; F242-I264 HydrophobicContact CZ-CD1 3.56Å; F242-I264 HydrophobicContact CZ-CG1 4.49Å; F242-I264 HydrophobicContact CZ-CG2 4.26Å; L261-I264 HydrophobicContact CD2-CD1 3.81Å; L261-I264 PolarHBondContact O-N 3.48Å; R262-I264 VanDerWaalsContact C-N 3.27Å; R262-I264 PolarHBondContact O-N 2.69Å; I264-Q268 HydrophobicContact CG2-CB 3.86Å; I264-Y272 HydrophobicContact CD1-CD1 4Å; I264-Y272 HydrophobicContact CD1-CD2 3.97Å; I264-Y272 HydrophobicContact CD1-CE1 3.52Å; I264-Y272 HydrophobicContact CD1-CE2 3.5Å; I264-Y272 HydrophobicContact CD1-CG 4.2Å; I264-Y272 HydrophobicContact CG1-CD2 4.23Å; I264-Y272 HydrophobicContact CG1-CE2 3.71Å; I264-Y272 HydrophobicContact CG2-CD2 3.83Å; I264-Y272 HydrophobicContact CG2-CE2 4.17Å; I264-Y272 HydrophobicContact CG2-CG 4.32Å
265T93.6Very high95Very high65 Ų6552.8 Ų52.840%0.39925%0.245SC..  trans-74160.5177.470.90000111.2R263 T267 Q268 Y269R263-T265 PolarHBondContact O-N 3.14Å; T265-T267 PolarHBondContact O-N 3.02Å; T265-T267 PolarHBondContact OG1-OG1 3.16Å; T265-Q268 VanDerWaalsContact N-OE1 3.07Å; T265-Q268 PolarHBondContact O-N 3.23Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.42Å; T265-Q268 PolarHBondContact OG1-N 2.99Å; T265-Q268 VanDerWaalsContact OG1-N 3.14Å; T265-Q268 PolarHBondContact OG1-OE1 3.09Å; T265-Y269 WeakPolarHBondContact O-CB 3.14Å; T265-Y269 PolarHBondContact O-N 2.84Å
266L90.5Very high95.1Very high111 Ų11153.6 Ų53.658%0.58125%0.248SC*.Hα-helixtrans-60.3-30.8174.7-66.8175.4000112.7
267T93Very high95.1Very high100 Ų10052.9 Ų52.961%0.61324%0.244SC*.Hα-helixtrans-70.3-42.8176.551.30000111.8T265T265-T267 PolarHBondContact O-N 3.02Å; T265-T267 PolarHBondContact OG1-OG1 3.16Å
268Q95.4Very high95Very high89 Ų8955.5 Ų55.542%0.41626%0.256SS..Hα-helixtrans-66.1-40174.8-71.6171-30.600111.6I264 T265 R270 I271 Y272I264-Q268 HydrophobicContact CG2-CB 3.86Å; T265-Q268 VanDerWaalsContact N-OE1 3.07Å; T265-Q268 PolarHBondContact O-N 3.23Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.42Å; T265-Q268 PolarHBondContact OG1-N 2.99Å; T265-Q268 VanDerWaalsContact OG1-N 3.14Å; T265-Q268 PolarHBondContact OG1-OE1 3.09Å; Q268-R270 VanDerWaalsContact C-N 3.26Å; Q268-R270 PolarHBondContact O-N 3.11Å; Q268-I271 PolarHBondContact O-N 3.32Å; Q268-Y272 WeakPolarHBondContact O-CB 3.5Å; Q268-Y272 PolarHBondContact O-N 3.27Å
269Y94.7Very high95Very high16 Ų1663.8 Ų63.86%0.06329%0.288CS..Hα-helixtrans-53.7-38.5-176.3-179.8-103.4000113.3E239 K240 S241 F242 T265 I271 Y272 S315 P317E239-Y269 WeakPolarHBondContact O-CE1 3.42Å; K240-Y269 HydrophobicContact CG-CE2 4.41Å; S241-Y269 PolarHBondContact N-OH 3.01Å; S241-Y269 VanDerWaalsContact O-CE2 3.27Å; S241-Y269 WeakPolarHBondContact O-CE2 3.26Å; S241-Y269 PolarHBondContact O-OH 3.15Å; F242-Y269 HydrophobicContact CD1-CE2 4.27Å; F242-Y269 AromaticContact CE1-CD2 3.72Å; F242-Y269 HydrophobicContact CE1-CD2 3.72Å; F242-Y269 AromaticContact CE1-CE2 3.89Å; F242-Y269 HydrophobicContact CE1-CE2 3.89Å; F242-Y269 HydrophobicContact CE2-CD2 4.31Å; F242-Y269 HydrophobicContact CE2-CE2 4.21Å; F242-Y269 AromaticContact CZ-CD2 3.59Å; F242-Y269 HydrophobicContact CZ-CD2 3.59Å; F242-Y269 AromaticContact CZ-CE2 3.86Å; F242-Y269 HydrophobicContact CZ-CE2 3.86Å; T265-Y269 WeakPolarHBondContact O-CB 3.14Å; T265-Y269 PolarHBondContact O-N 2.84Å; Y269-I271 PolarHBondContact O-N 3.05Å; Y269-I271 VanDerWaalsContact O-N 3.09Å; Y269-Y272 PolarHBondContact O-N 3.25Å; Y269-S315 WeakPolarHBondContact O-CB 3.29Å; Y269-S315 PolarHBondContact O-OG 2.73Å; Y269-P317 HydrophobicContact CE1-CG 4.05Å
270R93.6Very high94.9Very high171 Ų17165.5 Ų65.565%0.64530%0.298SS*.THydrogen-bonded Turntrans-57.6-28.3-176.1-70.1179.2175.9140.1-0.2115Q268Q268-R270 VanDerWaalsContact C-N 3.26Å; Q268-R270 PolarHBondContact O-N 3.11Å
271I95.6Very high94.8Very high87 Ų8765.2 Ų65.245%0.44630%0.299SS..THydrogen-bonded Turntrans-130.323.2-177.458.3168.9000111.2Q268 Y269 A273 I348Q268-I271 PolarHBondContact O-N 3.32Å; Y269-I271 PolarHBondContact O-N 3.05Å; Y269-I271 VanDerWaalsContact O-N 3.09Å; I271-A273 PolarHBondContact O-N 3.26Å; I271-I348 HydrophobicContact CB-CG1 4.23Å; I271-I348 HydrophobicContact CB-CG2 4.4Å; I271-I348 HydrophobicContact CG2-CG1 4.26Å; I271-I348 WeakPolarHBondContact O-CG2 3.12Å
272Y97.5Very high94.8Very high8 Ų872.2 Ų72.23%0.03133%0.326CS..  trans-75.2115.4-171.6-166.9-92.4000110.8F242 I264 Q268 Y269 S274 I313 S315 V318 I351F242-Y272 HydrophobicContact CD1-CD1 4.34Å; F242-Y272 AromaticContact CE1-CD1 3.99Å; F242-Y272 HydrophobicContact CE1-CD1 3.99Å; F242-Y272 HydrophobicContact CE1-CE1 4.4Å; F242-Y272 HydrophobicContact CE1-CG 4.44Å; I264-Y272 HydrophobicContact CD1-CD1 4Å; I264-Y272 HydrophobicContact CD1-CD2 3.97Å; I264-Y272 HydrophobicContact CD1-CE1 3.52Å; I264-Y272 HydrophobicContact CD1-CE2 3.5Å; I264-Y272 HydrophobicContact CD1-CG 4.2Å; I264-Y272 HydrophobicContact CG1-CD2 4.23Å; I264-Y272 HydrophobicContact CG1-CE2 3.71Å; I264-Y272 HydrophobicContact CG2-CD2 3.83Å; I264-Y272 HydrophobicContact CG2-CE2 4.17Å; I264-Y272 HydrophobicContact CG2-CG 4.32Å; Q268-Y272 WeakPolarHBondContact O-CB 3.5Å; Q268-Y272 PolarHBondContact O-N 3.27Å; Y269-Y272 PolarHBondContact O-N 3.25Å; Y272-S274 WeakPolarHBondContact CE1-OG 3.44Å; Y272-S274 VanDerWaalsContact CZ-OG 3.22Å; Y272-S274 PolarHBondContact OH-OG 3.28Å; Y272-I313 HydrophobicContact CD1-CG2 4.49Å; Y272-I313 HydrophobicContact CE1-CB 4.26Å; Y272-I313 HydrophobicContact CE1-CG2 3.91Å; Y272-S315 PolarHBondContact N-OG 3.34Å; Y272-S315 PolarHBondContact O-N 3.29Å; Y272-S315 PolarHBondContact O-OG 3.5Å; Y272-S315 VanDerWaalsContact O-OG 3.08Å; Y272-V318 WeakPolarHBondContact O-CG2 3.41Å; Y272-I351 HydrophobicContact CD2-CD1 3.79Å; Y272-I351 HydrophobicContact CE2-CD1 3.7Å
273A98Very high94.8Very high0 Ų067.6 Ų67.60%031%0.31CS..EExtended strand (participates in β ladder)trans-136.8125166.600000107.7I271 I307 I313 L314 V318 L343 I348 P350 I351I271-A273 PolarHBondContact O-N 3.26Å; A273-I307 HydrophobicContact CB-CD1 4.14Å; A273-I313 CarbonylContact C-O 3.5Å; A273-I313 WeakPolarHBondContact CA-O 3.25Å; A273-L314 HydrophobicContact CB-CD2 3.76Å; A273-V318 HydrophobicContact CB-CG1 4.29Å; A273-L343 HydrophobicContact CB-CD1 4.03Å; A273-L343 HydrophobicContact CB-CD2 4.1Å; A273-I348 HydrophobicContact CB-CG2 4.45Å; A273-P350 WeakPolarHBondContact O-CA 3.28Å; A273-I351 PolarHBondContact O-N 3.32Å
274S97.8Very high94.7Very high0 Ų061.1 Ų61.10%029%0.291CS..EExtended strand (participates in β ladder)trans-147.6160.7-176.174.30000113.2Y272 I313 I351 L353Y272-S274 WeakPolarHBondContact CE1-OG 3.44Å; Y272-S274 VanDerWaalsContact CZ-OG 3.22Å; Y272-S274 PolarHBondContact OH-OG 3.28Å; S274-I313 PolarHBondContact N-O 2.93Å; S274-I313 PolarHBondContact O-N 3.44Å; S274-I351 VanDerWaalsContact CA-O 3.23Å; S274-I351 WeakPolarHBondContact CA-O 2.96Å; S274-I351 VanDerWaalsContact CB-O 3.27Å; S274-I351 WeakPolarHBondContact CB-O 3.17Å; S274-L353 WeakPolarHBondContact OG-CD1 3.21Å
275G97.1Very high94.7Very high0 Ų064 Ų640%030%0.301CS..EExtended strand (participates in β ladder)trans164.6-157.1-178.900000111V277 T311 I351 H352 L353G275-V277 PolarHBondContact O-N 3.27Å; G275-T311 WeakPolarHBondContact CA-O 3.38Å; G275-I351 PolarHBondContact N-O 2.94Å; G275-I351 VanDerWaalsContact N-O 3.14Å; G275-H352 WeakPolarHBondContact O-CA 3.37Å; G275-L353 PolarHBondContact O-N 3.3Å
276H95.5Very high94.7Very high45 Ų4564.6 Ų64.621%0.20830%0.301CS..SBendtrans-78.999.4168.1-16893.5000109.6E278 N308 H352 I356 T358H276-E278 IonicContact CD2-OE1 3.45Å; H276-E278 IonicContact NE2-OE1 3.72Å; H276-N308 HydrophobicContact CB-CB 4.43Å; H276-N308 WeakPolarHBondContact O-CB 3.47Å; H276-N308 PolarHBondContact O-N 2.91Å; H276-H352 AromaticContact CE1-CE1 3.9Å; H276-H352 AromaticContact ND1-CE1 3.92Å; H276-I356 HydrophobicContact CB-CG2 4.14Å; H276-I356 PolarHBondContact ND1-O 3.03Å; H276-T358 HydrophobicContact CB-CG2 3.56Å
277V96.5Very high94.6Very high8 Ų863.4 Ų63.45%0.04830%0.3CS..EExtended strand (participates in β ladder)trans-88.2121.9-176.5176.90000111.4G275 R279 P305 Y306 I307 P350 H352G275-V277 PolarHBondContact O-N 3.27Å; V277-R279 HydrophobicContact CG1-CG 4.3Å; V277-P305 HydrophobicContact CG1-CB 4.23Å; V277-Y306 CarbonylContact C-O 3.57Å; V277-Y306 VanDerWaalsContact CA-O 3.29Å; V277-Y306 WeakPolarHBondContact CA-O 3.03Å; V277-I307 HydrophobicContact CG2-CG1 4.07Å; V277-P350 HydrophobicContact CG1-CG 4Å; V277-P350 HydrophobicContact CG2-CB 3.78Å; V277-P350 HydrophobicContact CG2-CG 4.06Å; V277-H352 HydrophobicContact CB-CB 3.89Å; V277-H352 HydrophobicContact CG2-CB 4.17Å; V277-H352 PolarHBondContact N-ND1 3.03Å; V277-H352 VanDerWaalsContact N-ND1 3.14Å; V277-H352 PolarHBondContact O-ND1 3.03Å; V277-H352 VanDerWaalsContact O-ND1 3.14Å
278E94.8Very high94.5Very high55 Ų5567 Ų6726%0.25731%0.307SS..EExtended strand (participates in β ladder)trans-80.9113.1165.3-65.2-59.8163.500109.1H276 P305 Y306 N308H276-E278 IonicContact CD2-OE1 3.45Å; H276-E278 IonicContact NE2-OE1 3.72Å; E278-P305 VanDerWaalsContact O-CA 3.31Å; E278-P305 WeakPolarHBondContact O-CA 3.02Å; E278-Y306 HydrophobicContact CB-CD1 4.4Å; E278-Y306 HydrophobicContact CB-CD2 4.27Å; E278-Y306 HydrophobicContact CB-CE1 4.01Å; E278-Y306 HydrophobicContact CB-CE2 3.86Å; E278-Y306 HydrophobicContact CG-CD2 4.45Å; E278-Y306 HydrophobicContact CG-CE2 3.73Å; E278-Y306 PolarHBondContact N-O 3.44Å; E278-Y306 PolarHBondContact O-N 2.96Å; E278-N308 HydrophobicContact CG-CB 4.17Å; E278-N308 PolarHBondContact OE1-ND2 3.27Å; E278-N308 VanDerWaalsContact OE1-ND2 3.17Å
279R93.9Very high94.3Very high178 Ų17866.6 Ų66.667%0.67231%0.308SS*.SBendtrans-85.3-34.4-176.5-67-176.1178.2-179.6-0.5113.2V277V277-R279 HydrophobicContact CG1-CG 4.3Å
280I93.8Very high93.9Very high114 Ų11471 Ų7159%0.58534%0.34SS*.SBendtrans-136.3110.1-177.2-57.1177.1000106.5Y282I280-Y282 HydrophobicContact CG2-CE2 3.71Å
281S93.4Very high93.5Very high24 Ų2466.8 Ų66.817%0.16833%0.327CS..  trans-140.8142.5178.8177.80000109Y303 Y306S281-Y303 PolarHBondContact O-N 2.98Å; S281-Y306 PolarHBondContact OG-OH 3.41Å; S281-Y306 VanDerWaalsContact OG-OH 3.04Å
282Y94.4Very high93.2Very high146 Ų14666.6 Ų66.657%0.57332%0.321SS*.  trans-111.8136.7-174.3-60.4-93.1000109.6I280 V284 N301 I302I280-Y282 HydrophobicContact CG2-CE2 3.71Å; Y282-V284 PolarHBondContact O-N 2.8Å; Y282-N301 WeakPolarHBondContact CD1-O 3.2Å; Y282-I302 HydrophobicContact CD1-CG1 3.95Å; Y282-I302 HydrophobicContact CE1-CD1 4.08Å; Y282-I302 HydrophobicContact CE1-CG1 3.65Å
283P93Very high92.8Very high12 Ų1266.3 Ų66.38%0.07832%0.32CS..  trans-62.2130.117523.3-29.1000111R285 I293 Y298 F300 N301 Y303P283-R285 VanDerWaalsContact CG-CZ 3.45Å; P283-R285 VanDerWaalsContact CG-NH2 3.27Å; P283-R285 PolarHBondContact O-N 3.24Å; P283-I293 HydrophobicContact CB-CG2 3.36Å; P283-Y298 HydrophobicContact CB-CD1 4.36Å; P283-Y298 HydrophobicContact CG-CD1 4.24Å; P283-Y298 HydrophobicContact CG-CE1 4.44Å; P283-F300 WeakPolarHBondContact CG-O 3.35Å; P283-N301 WeakPolarHBondContact CD-O 3.47Å; P283-Y303 VanDerWaalsContact CA-CE2 3.45Å; P283-Y303 HydrophobicContact CB-CE1 3.97Å; P283-Y303 HydrophobicContact CB-CE2 3.98Å
284V93.3Very high92.4Very high46 Ų4667.4 Ų67.428%0.27933%0.328SS..BIsolated β-bridgetrans-73113.8175-179.40000108.5Y282 L289 Y292 I293Y282-V284 PolarHBondContact O-N 2.8Å; V284-L289 HydrophobicContact CG1-CB 3.62Å; V284-L289 HydrophobicContact CG1-CD1 4.02Å; V284-L289 HydrophobicContact CG1-CG 4.43Å; V284-Y292 CarbonylContact O-C 3.56Å; V284-Y292 WeakPolarHBondContact O-CA 3.23Å; V284-Y292 WeakPolarHBondContact O-CD2 3.36Å; V284-I293 PolarHBondContact O-N 2.96Å
285R93.1Very high92Very high69 Ų6971 Ų7126%0.2635%0.353SS..  trans-97.46.6-175.2-57.8-52.1-170.5172.33.9114.7P283 Y292 I293 S294 Y298 F300P283-R285 VanDerWaalsContact CG-CZ 3.45Å; P283-R285 VanDerWaalsContact CG-NH2 3.27Å; P283-R285 PolarHBondContact O-N 3.24Å; R285-Y292 WeakPolarHBondContact O-CE2 3.26Å; R285-I293 VanDerWaalsContact CD-O 3.26Å; R285-I293 WeakPolarHBondContact CD-O 3.46Å; R285-I293 PolarHBondContact NH1-O 3.39Å; R285-S294 PolarHBondContact NH1-O 3.48Å; R285-Y298 PolarHBondContact NH1-O 3.22Å; R285-Y298 PolarHBondContact NH2-O 2.7Å; R285-F300 PolarHBondContact NH2-O 2.87Å
286I93.3Very high91.5Very high77 Ų7774.9 Ų74.940%0.39538%0.38SS..  trans-102.5114-176.4-60.6173.2000108.7F288 L289 Y292I286-F288 VanDerWaalsContact C-N 3.25Å; I286-F288 HydrophobicContact CG2-CD1 3.65Å; I286-F288 HydrophobicContact CG2-CD2 3.96Å; I286-F288 HydrophobicContact CG2-CE1 3.21Å; I286-F288 HydrophobicContact CG2-CE2 3.54Å; I286-F288 HydrophobicContact CG2-CG 4.02Å; I286-F288 HydrophobicContact CG2-CZ 3.15Å; I286-F288 PolarHBondContact O-N 2.99Å; I286-F288 VanDerWaalsContact O-N 3.09Å; I286-L289 HydrophobicContact CB-CB 4.42Å; I286-L289 HydrophobicContact CB-CD1 3.8Å; I286-L289 HydrophobicContact CB-CG 3.92Å; I286-L289 HydrophobicContact CD1-CD1 3.77Å; I286-L289 HydrophobicContact CG1-CD1 4.3Å; I286-L289 HydrophobicContact CG2-CD1 4.09Å; I286-L289 HydrophobicContact CG2-CG 3.84Å; I286-L289 PolarHBondContact O-N 3.13Å; I286-Y292 WeakPolarHBondContact O-CD2 3.45Å
287P90Very high90.9Very high87 Ų8776.2 Ų76.257%0.56539%0.389SS*.THydrogen-bonded Turntrans-55.2-30-169.2-30.235.8000116.9Y292P287-Y292 VanDerWaalsContact CA-CD2 3.46Å; P287-Y292 VanDerWaalsContact CA-CG 3.5Å; P287-Y292 HydrophobicContact CB-CD1 4.46Å; P287-Y292 HydrophobicContact CB-CD2 4.44Å; P287-Y292 HydrophobicContact CB-CE1 4.32Å; P287-Y292 HydrophobicContact CB-CE2 4.28Å; P287-Y292 HydrophobicContact CG-CD2 4.36Å; P287-Y292 HydrophobicContact CG-CE1 4.44Å; P287-Y292 HydrophobicContact CG-CE2 3.82Å
288F90Very high90.5Very high175 Ų17576.7 Ų76.777%0.76839%0.39SS*.THydrogen-bonded Turntrans-92.8-1.2-176.456.1-98.2000113.8I286I286-F288 VanDerWaalsContact C-N 3.25Å; I286-F288 HydrophobicContact CG2-CD1 3.65Å; I286-F288 HydrophobicContact CG2-CD2 3.96Å; I286-F288 HydrophobicContact CG2-CE1 3.21Å; I286-F288 HydrophobicContact CG2-CE2 3.54Å; I286-F288 HydrophobicContact CG2-CG 4.02Å; I286-F288 HydrophobicContact CG2-CZ 3.15Å; I286-F288 PolarHBondContact O-N 2.99Å; I286-F288 VanDerWaalsContact O-N 3.09Å
289L91.1Very high90.2Very high81 Ų8176.5 Ų76.542%0.42439%0.394SS..SBendtrans-90.4148.3174.7-65.1-174.6000110.6V284 I286 Y292V284-L289 HydrophobicContact CG1-CB 3.62Å; V284-L289 HydrophobicContact CG1-CD1 4.02Å; V284-L289 HydrophobicContact CG1-CG 4.43Å; I286-L289 HydrophobicContact CB-CB 4.42Å; I286-L289 HydrophobicContact CB-CD1 3.8Å; I286-L289 HydrophobicContact CB-CG 3.92Å; I286-L289 HydrophobicContact CD1-CD1 3.77Å; I286-L289 HydrophobicContact CG1-CD1 4.3Å; I286-L289 HydrophobicContact CG2-CD1 4.09Å; I286-L289 HydrophobicContact CG2-CG 3.84Å; I286-L289 PolarHBondContact O-N 3.13Å; L289-Y292 WeakPolarHBondContact O-CB 3.5Å; L289-Y292 PolarHBondContact O-N 2.65Å
290S85.7Confident90Very high107 Ų10769.8 Ų69.875%0.74837%0.369SS*.THydrogen-bonded Turntrans-57146.7171.7-173.50000110.5Y292S290-Y292 VanDerWaalsContact C-N 3.27Å; S290-Y292 PolarHBondContact O-N 3.43Å
291K85.1Confident89.9Confident84 Ų8469.2 Ų69.237%0.36537%0.368SS..THydrogen-bonded Turntrans61.725.7-175.6-56.9-168.8174.1-165.80115.2I293 Y334 D336K291-I293 PolarHBondContact O-N 3.23Å; K291-Y334 VanDerWaalsContact CA-CZ 3.46Å; K291-Y334 VanDerWaalsContact CA-OH 3.23Å; K291-Y334 WeakPolarHBondContact CA-OH 3.25Å; K291-Y334 HydrophobicContact CB-CE1 4.17Å; K291-Y334 HydrophobicContact CG-CD1 4.46Å; K291-Y334 HydrophobicContact CG-CE1 4.21Å; K291-D336 IonicContact NZ-OD2 3.17Å; K291-D336 PolarHBondContact NZ-OD2 3.25Å
292Y90.9Very high89.9Confident82 Ų8272 Ų7232%0.32238%0.379SS..BIsolated β-bridgetrans-54.9136.1173.3168.7-110.9000112.8V284 R285 I286 P287 L289 S290 Y334V284-Y292 CarbonylContact O-C 3.56Å; V284-Y292 WeakPolarHBondContact O-CA 3.23Å; V284-Y292 WeakPolarHBondContact O-CD2 3.36Å; R285-Y292 WeakPolarHBondContact O-CE2 3.26Å; I286-Y292 WeakPolarHBondContact O-CD2 3.45Å; P287-Y292 VanDerWaalsContact CA-CD2 3.46Å; P287-Y292 VanDerWaalsContact CA-CG 3.5Å; P287-Y292 HydrophobicContact CB-CD1 4.46Å; P287-Y292 HydrophobicContact CB-CD2 4.44Å; P287-Y292 HydrophobicContact CB-CE1 4.32Å; P287-Y292 HydrophobicContact CB-CE2 4.28Å; P287-Y292 HydrophobicContact CG-CD2 4.36Å; P287-Y292 HydrophobicContact CG-CE1 4.44Å; P287-Y292 HydrophobicContact CG-CE2 3.82Å; L289-Y292 WeakPolarHBondContact O-CB 3.5Å; L289-Y292 PolarHBondContact O-N 2.65Å; S290-Y292 VanDerWaalsContact C-N 3.27Å; S290-Y292 PolarHBondContact O-N 3.43Å; Y292-Y334 PolarHBondContact N-OH 3.08Å; Y292-Y334 PolarHBondContact O-OH 3.25Å
293I88.8Confident89.8Confident3 Ų365.4 Ų65.42%0.01535%0.354CS..  trans-137.6130.8168.2-169.1158.3000111.1P283 V284 R285 K291 N297 Y298 Y303 M332 Y334P283-I293 HydrophobicContact CB-CG2 3.36Å; V284-I293 PolarHBondContact O-N 2.96Å; R285-I293 VanDerWaalsContact CD-O 3.26Å; R285-I293 WeakPolarHBondContact CD-O 3.46Å; R285-I293 PolarHBondContact NH1-O 3.39Å; K291-I293 PolarHBondContact O-N 3.23Å; I293-N297 HydrophobicContact CD1-CB 4.22Å; I293-N297 HydrophobicContact CG1-CB 3.87Å; I293-Y298 HydrophobicContact CD1-CG 4.49Å; I293-Y303 WeakPolarHBondContact CG2-OH 3.34Å; I293-M332 HydrophobicContact CD1-CE 3.47Å; I293-M332 VanDerWaalsContact CD1-CE 3.47Å; I293-M332 HydrophobicContact CD1-SD 3.51Å; I293-M332 VanDerWaalsContact CD1-SD 3.51Å; I293-Y334 HydrophobicContact CB-CE2 4.31Å
294S89.6Confident89.8Confident22 Ų2265.5 Ų65.515%0.15435%0.354CS..  trans-69.6150.4175.463.40000111.2R285 S296 N297 Y298R285-S294 PolarHBondContact NH1-O 3.48Å; S294-S296 PolarHBondContact O-N 3.17Å; S294-S296 PolarHBondContact OG-OG 2.75Å; S294-N297 PolarHBondContact O-N 2.98Å; S294-N297 WeakPolarHBondContact OG-CB 3.49Å; S294-N297 PolarHBondContact OG-N 3.2Å; S294-N297 PolarHBondContact OG-OD1 2.83Å; S294-N297 VanDerWaalsContact OG-OD1 3.08Å; S294-Y298 PolarHBondContact O-N 2.98Å; S294-Y298 VanDerWaalsContact O-N 3.12Å
295S89.4Confident89.9Confident75 Ų7565.8 Ų65.852%0.52436%0.357SS..THydrogen-bonded Turntrans-61.6-24.6172.3-54.40000112.1N297 Y298 P299S295-N297 VanDerWaalsContact C-N 3.33Å; S295-Y298 WeakPolarHBondContact CA-O 3.49Å; S295-Y298 CarbonylContact O-C 3.31Å; S295-Y298 VanDerWaalsContact O-C 3.31Å; S295-P299 VanDerWaalsContact O-CA 3.24Å; S295-P299 WeakPolarHBondContact O-CA 3Å
296S86.1Confident90Very high83 Ų8363.2 Ų63.258%0.5835%0.347SS*.THydrogen-bonded Turntrans-69-28.4174.366.50000113.3Y53 S294Y53-S296 PolarHBondContact OH-O 3.49Å; S294-S296 PolarHBondContact O-N 3.17Å; S294-S296 PolarHBondContact OG-OG 2.75Å
297N83.4Confident90.1Very high72 Ų7259.5 Ų59.539%0.38533%0.329SS..THydrogen-bonded Turntrans-91.2-31.6-179.8-71.621.4000111.6Y53 I293 S294 S295Y53-N297 WeakPolarHBondContact CE1-O 3.42Å; I293-N297 HydrophobicContact CD1-CB 4.22Å; I293-N297 HydrophobicContact CG1-CB 3.87Å; S294-N297 PolarHBondContact O-N 2.98Å; S294-N297 WeakPolarHBondContact OG-CB 3.49Å; S294-N297 PolarHBondContact OG-N 3.2Å; S294-N297 PolarHBondContact OG-OD1 2.83Å; S294-N297 VanDerWaalsContact OG-OD1 3.08Å; S295-N297 VanDerWaalsContact C-N 3.33Å
298Y87.9Confident90.2Very high18 Ų1856.6 Ų56.67%0.07131%0.308CS..  trans-145.4107.3174.6-173.2-100.2000108.1P283 R285 I293 S294 S295 F300 I302 Y303 P304 M332 I341P283-Y298 HydrophobicContact CB-CD1 4.36Å; P283-Y298 HydrophobicContact CG-CD1 4.24Å; P283-Y298 HydrophobicContact CG-CE1 4.44Å; R285-Y298 PolarHBondContact NH1-O 3.22Å; R285-Y298 PolarHBondContact NH2-O 2.7Å; I293-Y298 HydrophobicContact CD1-CG 4.49Å; S294-Y298 PolarHBondContact O-N 2.98Å; S294-Y298 VanDerWaalsContact O-N 3.12Å; S295-Y298 WeakPolarHBondContact CA-O 3.49Å; S295-Y298 CarbonylContact O-C 3.31Å; S295-Y298 VanDerWaalsContact O-C 3.31Å; Y298-F300 HydrophobicContact CD1-CB 4.26Å; Y298-F300 WeakPolarHBondContact CD1-O 3.33Å; Y298-F300 HydrophobicContact CD2-CD2 4.28Å; Y298-F300 HydrophobicContact CE1-CB 3.57Å; Y298-F300 HydrophobicContact CE1-CD2 4.16Å; Y298-F300 HydrophobicContact CE1-CG 4.36Å; Y298-F300 WeakPolarHBondContact CE1-O 3.35Å; Y298-F300 AromaticContact CE2-CD2 3.72Å; Y298-F300 HydrophobicContact CE2-CD2 3.72Å; Y298-F300 AromaticContact CZ-CD2 3.63Å; Y298-I302 PolarHBondContact OH-O 3.46Å; Y298-Y303 AromaticContact CD1-CD1 3.96Å; Y298-Y303 HydrophobicContact CD1-CD1 3.96Å; Y298-Y303 AromaticContact CD1-CE1 3.67Å; Y298-Y303 HydrophobicContact CD1-CE1 3.67Å; Y298-Y303 HydrophobicContact CD2-CE1 4.42Å; Y298-Y303 AromaticContact CE1-CD1 3.48Å; Y298-Y303 HydrophobicContact CE1-CD1 3.48Å; Y298-Y303 VanDerWaalsContact CE1-CD1 3.48Å; Y298-Y303 AromaticContact CE1-CE1 3.7Å; Y298-Y303 HydrophobicContact CE1-CE1 3.7Å; Y298-Y303 HydrophobicContact CE1-CG 4.48Å; Y298-Y303 HydrophobicContact CE2-CD1 4.15Å; Y298-Y303 HydrophobicContact CE2-CE1 4.45Å; Y298-Y303 HydrophobicContact CG-CD1 4.48Å; Y298-Y303 HydrophobicContact CG-CE1 4.05Å; Y298-Y303 AromaticContact CZ-CD1 3.6Å; Y298-Y303 WeakPolarHBondContact OH-CA 3.38Å; Y298-P304 WeakPolarHBondContact OH-CD 3.42Å; Y298-M332 HydrophobicContact CD2-CE 3.66Å; Y298-M332 HydrophobicContact CE2-CE 4.39Å; Y298-M332 HydrophobicContact CG-CE 4.06Å; Y298-I341 HydrophobicContact CD2-CD1 4.37Å; Y298-I341 HydrophobicContact CE2-CD1 4.07Å
299P87.9Confident89.5Confident52 Ų5249.9 Ų49.934%0.33828%0.283SS..  trans-82.1-14.2-172.131.7-37.1000113.7Y53 S295Y53-P299 HydrophobicContact CD1-CG 3.6Å; Y53-P299 HydrophobicContact CD2-CG 3.66Å; Y53-P299 HydrophobicContact CE1-CG 4.11Å; Y53-P299 HydrophobicContact CE2-CG 4.12Å; Y53-P299 HydrophobicContact CG-CG 3.39Å; S295-P299 VanDerWaalsContact O-CA 3.24Å; S295-P299 WeakPolarHBondContact O-CA 3Å
300F89.3Confident89.1Confident37 Ų3746.2 Ų46.216%0.16227%0.265CS..  trans-81.5154.7-173.8-49.6-64.2000113D49 Y53 P283 R285 Y298D49-F300 HydrophobicContact CB-CE1 4.21Å; D49-F300 WeakPolarHBondContact O-CE1 3.48Å; D49-F300 VanDerWaalsContact O-CZ 3.25Å; D49-F300 WeakPolarHBondContact O-CZ 3.25Å; Y53-F300 VanDerWaalsContact CB-CZ 3.5Å; P283-F300 WeakPolarHBondContact CG-O 3.35Å; R285-F300 PolarHBondContact NH2-O 2.87Å; Y298-F300 HydrophobicContact CD1-CB 4.26Å; Y298-F300 WeakPolarHBondContact CD1-O 3.33Å; Y298-F300 HydrophobicContact CD2-CD2 4.28Å; Y298-F300 HydrophobicContact CE1-CB 3.57Å; Y298-F300 HydrophobicContact CE1-CD2 4.16Å; Y298-F300 HydrophobicContact CE1-CG 4.36Å; Y298-F300 WeakPolarHBondContact CE1-O 3.35Å; Y298-F300 AromaticContact CE2-CD2 3.72Å; Y298-F300 HydrophobicContact CE2-CD2 3.72Å; Y298-F300 AromaticContact CZ-CD2 3.63Å
301N92.6Very high89.5Confident102 Ų10241.2 Ų41.255%0.54523%0.23SC..SBendtrans-83-13.3-179.8-67.6-31.8000113.7Y282 P283Y282-N301 WeakPolarHBondContact CD1-O 3.2Å; P283-N301 WeakPolarHBondContact CD-O 3.47Å
302I92.9Very high90Very high81 Ų8137.5 Ų37.542%0.41521%0.214SC..SBendtrans-137137.8-175-61.1176000107.9Y282 Y298Y282-I302 HydrophobicContact CD1-CG1 3.95Å; Y282-I302 HydrophobicContact CE1-CD1 4.08Å; Y282-I302 HydrophobicContact CE1-CG1 3.65Å; Y298-I302 PolarHBondContact OH-O 3.46Å
303Y92.5Very high90.3Very high9 Ų933.6 Ų33.64%0.03520%0.199CC..PPolyproline II helixtrans-76.9148.1170-68.1-52.2000111.3S281 P283 I293 Y298 Y306 M332 I337S281-Y303 PolarHBondContact O-N 2.98Å; P283-Y303 VanDerWaalsContact CA-CE2 3.45Å; P283-Y303 HydrophobicContact CB-CE1 3.97Å; P283-Y303 HydrophobicContact CB-CE2 3.98Å; I293-Y303 WeakPolarHBondContact CG2-OH 3.34Å; Y298-Y303 AromaticContact CD1-CD1 3.96Å; Y298-Y303 HydrophobicContact CD1-CD1 3.96Å; Y298-Y303 AromaticContact CD1-CE1 3.67Å; Y298-Y303 HydrophobicContact CD1-CE1 3.67Å; Y298-Y303 HydrophobicContact CD2-CE1 4.42Å; Y298-Y303 AromaticContact CE1-CD1 3.48Å; Y298-Y303 HydrophobicContact CE1-CD1 3.48Å; Y298-Y303 VanDerWaalsContact CE1-CD1 3.48Å; Y298-Y303 AromaticContact CE1-CE1 3.7Å; Y298-Y303 HydrophobicContact CE1-CE1 3.7Å; Y298-Y303 HydrophobicContact CE1-CG 4.48Å; Y298-Y303 HydrophobicContact CE2-CD1 4.15Å; Y298-Y303 HydrophobicContact CE2-CE1 4.45Å; Y298-Y303 HydrophobicContact CG-CD1 4.48Å; Y298-Y303 HydrophobicContact CG-CE1 4.05Å; Y298-Y303 AromaticContact CZ-CD1 3.6Å; Y298-Y303 WeakPolarHBondContact OH-CA 3.38Å; Y303-Y306 HydrophobicContact CD2-CE1 4.25Å; Y303-Y306 HydrophobicContact CG-CE1 4.5Å; Y303-M332 HydrophobicContact CE1-CE 4.22Å; Y303-I337 HydrophobicContact CD1-CD1 4.46Å; Y303-I337 HydrophobicContact CD1-CG1 4.43Å; Y303-I337 HydrophobicContact CD1-CG2 3.55Å; Y303-I337 HydrophobicContact CD2-CD1 4.01Å; Y303-I337 HydrophobicContact CD2-CG1 4.17Å; Y303-I337 HydrophobicContact CE1-CD1 4.02Å; Y303-I337 HydrophobicContact CE1-CG1 4.44Å; Y303-I337 HydrophobicContact CE1-CG2 3.7Å; Y303-I337 HydrophobicContact CE2-CD1 3.47Å; Y303-I337 VanDerWaalsContact CE2-CD1 3.47Å; Y303-I337 HydrophobicContact CE2-CG1 4.14Å; Y303-I337 HydrophobicContact CG-CD1 4.45Å; Y303-I337 HydrophobicContact CG-CG1 4.29Å; Y303-I337 HydrophobicContact CG-CG2 4.1Å; Y303-I337 VanDerWaalsContact CZ-CD1 3.45Å
304P93.3Very high90.7Very high14 Ų1433.5 Ų33.59%0.09120%0.198CC..PPolyproline II helixtrans-61.9159169.132-37.8000110.3Y298 Y306 I341 L344Y298-P304 WeakPolarHBondContact OH-CD 3.42Å; P304-Y306 WeakPolarHBondContact O-CD1 3.47Å; P304-Y306 PolarHBondContact O-N 3.27Å; P304-I341 HydrophobicContact CG-CG1 3.71Å; P304-L344 HydrophobicContact CB-CB 4.28Å; P304-L344 HydrophobicContact CB-CD2 3.65Å; P304-L344 HydrophobicContact CG-CD2 4.45Å
305P95Very high91Very high52 Ų5232.4 Ų32.434%0.33819%0.191SC..PPolyproline II helixtrans-54.5126.7172.8-25.734.7000111.1V277 E278 P350V277-P305 HydrophobicContact CG1-CB 4.23Å; E278-P305 VanDerWaalsContact O-CA 3.31Å; E278-P305 WeakPolarHBondContact O-CA 3.02Å; P305-P350 HydrophobicContact CB-CG 4.37Å
306Y95.1Very high91.1Very high14 Ų1429.1 Ų29.16%0.05517%0.167CC..EExtended strand (participates in β ladder)trans-133.9158.2-177.766-99.1000111.5V277 E278 S281 Y303 P304 D336 I337V277-Y306 CarbonylContact C-O 3.57Å; V277-Y306 VanDerWaalsContact CA-O 3.29Å; V277-Y306 WeakPolarHBondContact CA-O 3.03Å; E278-Y306 HydrophobicContact CB-CD1 4.4Å; E278-Y306 HydrophobicContact CB-CD2 4.27Å; E278-Y306 HydrophobicContact CB-CE1 4.01Å; E278-Y306 HydrophobicContact CB-CE2 3.86Å; E278-Y306 HydrophobicContact CG-CD2 4.45Å; E278-Y306 HydrophobicContact CG-CE2 3.73Å; E278-Y306 PolarHBondContact N-O 3.44Å; E278-Y306 PolarHBondContact O-N 2.96Å; S281-Y306 PolarHBondContact OG-OH 3.41Å; S281-Y306 VanDerWaalsContact OG-OH 3.04Å; Y303-Y306 HydrophobicContact CD2-CE1 4.25Å; Y303-Y306 HydrophobicContact CG-CE1 4.5Å; P304-Y306 WeakPolarHBondContact O-CD1 3.47Å; P304-Y306 PolarHBondContact O-N 3.27Å; Y306-D336 WeakPolarHBondContact CB-O 3.39Å; Y306-D336 HydrophobicContact CD2-CB 3.75Å; Y306-D336 HydrophobicContact CE2-CB 3.99Å; Y306-I337 HydrophobicContact CD1-CG1 4.18Å; Y306-I337 HydrophobicContact CE1-CG1 4Å
307I96Very high91.5Very high0 Ų026.8 Ų26.80%015%0.15CC..EExtended strand (participates in β ladder)trans-89118.1175.9-52.5168.4000107.1A273 V277 I312 D336 L339 L343 P350A273-I307 HydrophobicContact CB-CD1 4.14Å; V277-I307 HydrophobicContact CG2-CG1 4.07Å; I307-I312 HydrophobicContact CB-CG1 4.2Å; I307-I312 HydrophobicContact CD1-CG2 3.82Å; I307-I312 HydrophobicContact CG2-CB 4.31Å; I307-I312 HydrophobicContact CG2-CG1 3.66Å; I307-I312 HydrophobicContact CG2-CG2 4.35Å; I307-D336 WeakPolarHBondContact O-CB 3.01Å; I307-L339 HydrophobicContact CB-CD2 4.42Å; I307-L339 HydrophobicContact CD1-CD2 4.41Å; I307-L343 HydrophobicContact CD1-CD1 4.33Å; I307-P350 HydrophobicContact CD1-CB 3.81Å; I307-P350 HydrophobicContact CG1-CB 3.55Å; I307-P350 HydrophobicContact CG1-CG 4.34Å
308N90.8Very high92.1Very high25 Ų2523.4 Ų23.413%0.13413%0.132CC..PPolyproline II helixtrans-60.8143.1178.3-164.8-28.8000110.2H276 E278 G310 T358H276-N308 HydrophobicContact CB-CB 4.43Å; H276-N308 WeakPolarHBondContact O-CB 3.47Å; H276-N308 PolarHBondContact O-N 2.91Å; E278-N308 HydrophobicContact CG-CB 4.17Å; E278-N308 PolarHBondContact OE1-ND2 3.27Å; E278-N308 VanDerWaalsContact OE1-ND2 3.17Å; N308-G310 PolarHBondContact O-N 3.47Å; N308-T358 HydrophobicContact CB-CG2 4.24Å
309S75.4Confident92.4Very high34 Ų3422.5 Ų22.524%0.23813%0.128CC..SBendtrans-57.3123.9176.754.40000110
310G82.8Confident92.6Very high4 Ų421.2 Ų21.24%0.04112%0.118CC..SBendtrans163.2-77.4179.100000111N308N308-G310 PolarHBondContact O-N 3.47Å
311T94.3Very high92.8Very high3 Ų320 Ų202%0.01811%0.113CC..EExtended strand (participates in β ladder)trans-134.5110.7171.8-55.60000110.3L246 G275 I313 I356 S374L246-T311 HydrophobicContact CD2-CG2 3.87Å; L246-T311 WeakPolarHBondContact CD2-OG1 3.39Å; L246-T311 HydrophobicContact CG-CG2 4.27Å; G275-T311 WeakPolarHBondContact CA-O 3.38Å; T311-I313 HydrophobicContact CG2-CG1 4.31Å; T311-I356 HydrophobicContact CG2-CD1 4.21Å; T311-S374 WeakPolarHBondContact CB-OG 3.45Å; T311-S374 WeakPolarHBondContact OG1-CB 3.39Å; T311-S374 PolarHBondContact OG1-OG 2.89Å
312I96.6Very high92.8Very high6 Ų615.2 Ų15.23%0.0319%0.087CC..EExtended strand (participates in β ladder)trans-110.7126.5176.8-54.9156.8000107.4L244 L245 I307 L314 L339L244-I312 CarbonylContact C-O 3.53Å; L244-I312 VanDerWaalsContact CA-O 3.29Å; L244-I312 WeakPolarHBondContact CA-O 3.46Å; L245-I312 HydrophobicContact CB-CB 4.11Å; L245-I312 HydrophobicContact CB-CD1 4.43Å; L245-I312 HydrophobicContact CD1-CD1 4.44Å; L245-I312 PolarHBondContact N-O 3.25Å; L245-I312 PolarHBondContact O-N 2.72Å; I307-I312 HydrophobicContact CB-CG1 4.2Å; I307-I312 HydrophobicContact CD1-CG2 3.82Å; I307-I312 HydrophobicContact CG2-CB 4.31Å; I307-I312 HydrophobicContact CG2-CG1 3.66Å; I307-I312 HydrophobicContact CG2-CG2 4.35Å; I312-L314 HydrophobicContact CG2-CD1 4.34Å; I312-L314 HydrophobicContact CG2-CD2 3.72Å; I312-L314 HydrophobicContact CG2-CG 3.87Å; I312-L339 HydrophobicContact CD1-CD2 3.8Å; I312-L339 HydrophobicContact CG1-CD2 4.38Å; I312-L339 HydrophobicContact CG2-CD2 3.93Å
313I97.4Very high92.8Very high0 Ų012 Ų120%07%0.07CC..EExtended strand (participates in β ladder)trans-111.1121.2178.5-46.4-178.1000108.1F242 L244 L257 L260 L261 Y272 A273 S274 T311 L353 I356F242-I313 HydrophobicContact CD1-CG2 4.28Å; L244-I313 HydrophobicContact CD1-CG2 4.11Å; L244-I313 HydrophobicContact CD2-CG1 4.35Å; L244-I313 HydrophobicContact CG-CB 4.46Å; L244-I313 HydrophobicContact CG-CG1 4.09Å; L244-I313 HydrophobicContact CG-CG2 4.24Å; L257-I313 HydrophobicContact CD1-CD1 4.05Å; L260-I313 HydrophobicContact CD2-CD1 3.57Å; L261-I313 HydrophobicContact CD2-CG2 3.91Å; Y272-I313 HydrophobicContact CD1-CG2 4.49Å; Y272-I313 HydrophobicContact CE1-CB 4.26Å; Y272-I313 HydrophobicContact CE1-CG2 3.91Å; A273-I313 CarbonylContact C-O 3.5Å; A273-I313 WeakPolarHBondContact CA-O 3.25Å; S274-I313 PolarHBondContact N-O 2.93Å; S274-I313 PolarHBondContact O-N 3.44Å; T311-I313 HydrophobicContact CG2-CG1 4.31Å; I313-L353 HydrophobicContact CD1-CD1 3.99Å; I313-I356 HydrophobicContact CD1-CD1 4.26Å
314L96.8Very high92.7Very high0 Ų011.5 Ų11.50%07%0.068CC..EExtended strand (participates in β ladder)trans-123.1143.7-177.1-55.8172.9000109.8I228 F242 T243 L245 A273 I312 V318 V319 L322I228-L314 HydrophobicContact CD1-CD1 4.22Å; F242-L314 CarbonylContact C-O 3.56Å; F242-L314 VanDerWaalsContact CA-O 3.31Å; F242-L314 WeakPolarHBondContact CA-O 3.31Å; T243-L314 PolarHBondContact N-O 3.06Å; T243-L314 PolarHBondContact O-N 3.19Å; L245-L314 HydrophobicContact CD1-CD1 3.85Å; L245-L314 HydrophobicContact CG-CD1 4.25Å; A273-L314 HydrophobicContact CB-CD2 3.76Å; I312-L314 HydrophobicContact CG2-CD1 4.34Å; I312-L314 HydrophobicContact CG2-CD2 3.72Å; I312-L314 HydrophobicContact CG2-CG 3.87Å; L314-V318 HydrophobicContact CD2-CG1 4.04Å; L314-V319 HydrophobicContact CB-CG2 3.73Å; L314-V319 HydrophobicContact CD1-CG2 3.98Å; L314-L322 HydrophobicContact CD1-CD1 3.52Å; L314-L322 HydrophobicContact CD2-CD1 4.26Å
315S95.8Very high92.6Very high0 Ų010.9 Ų10.90%06%0.064CC..EExtended strand (participates in β ladder)trans-78.7153.6161.757.70000110.6Y269 Y272 V318 V319Y269-S315 WeakPolarHBondContact O-CB 3.29Å; Y269-S315 PolarHBondContact O-OG 2.73Å; Y272-S315 PolarHBondContact N-OG 3.34Å; Y272-S315 PolarHBondContact O-N 3.29Å; Y272-S315 PolarHBondContact O-OG 3.5Å; Y272-S315 VanDerWaalsContact O-OG 3.08Å; S315-V318 PolarHBondContact O-N 3.25Å; S315-V318 VanDerWaalsContact OG-CG2 3.31Å; S315-V318 WeakPolarHBondContact OG-CG2 3.21Å; S315-V319 WeakPolarHBondContact O-CG2 3.46Å; S315-V319 PolarHBondContact O-N 2.81Å
316M92.4Very high92.3Very high5 Ų59.2 Ų9.23%0.0255%0.051CC..Hα-helixtrans-56.6-40.9177.4-77.7-59.6-69.900114.6I231 I237 S241 V318 V319 Q320I231-M316 HydrophobicContact CG2-CE 3.82Å; I231-M316 HydrophobicContact CG2-SD 3.96Å; I237-M316 HydrophobicContact CG1-CE 4.08Å; I237-M316 HydrophobicContact CG2-CB 4.29Å; S241-M316 PolarHBondContact O-N 2.69Å; M316-V318 VanDerWaalsContact C-N 3.28Å; M316-V318 PolarHBondContact O-N 2.83Å; M316-V319 WeakPolarHBondContact O-CB 3.23Å; M316-V319 PolarHBondContact O-N 2.96Å; M316-V319 VanDerWaalsContact O-N 3.12Å; M316-V319 HydrophobicContact SD-CB 4.43Å; M316-Q320 WeakPolarHBondContact O-CG 3.35Å; M316-Q320 PolarHBondContact O-N 2.87Å
317P92.9Very high91.8Very high35 Ų3512 Ų1223%0.2277%0.067CC..Hα-helixtrans-55.7-42.1173.2-28.336.8000113Y269 Q320 L321Y269-P317 HydrophobicContact CE1-CG 4.05Å; P317-Q320 PolarHBondContact O-N 3.19Å; P317-L321 WeakPolarHBondContact O-CG 3.34Å; P317-L321 PolarHBondContact O-N 3.14Å; P317-L321 VanDerWaalsContact O-N 3.13Å
318V95.5Very high91.3Very high0 Ų014.4 Ų14.40%08%0.078CC..Hα-helixtrans-66.1-41.4176.3175.80000111.2Y272 A273 L314 S315 M316 Q320 L321 L322 L343 I348Y272-V318 WeakPolarHBondContact O-CG2 3.41Å; A273-V318 HydrophobicContact CB-CG1 4.29Å; L314-V318 HydrophobicContact CD2-CG1 4.04Å; S315-V318 PolarHBondContact O-N 3.25Å; S315-V318 VanDerWaalsContact OG-CG2 3.31Å; S315-V318 WeakPolarHBondContact OG-CG2 3.21Å; M316-V318 VanDerWaalsContact C-N 3.28Å; M316-V318 PolarHBondContact O-N 2.83Å; V318-Q320 VanDerWaalsContact C-N 3.26Å; V318-Q320 PolarHBondContact O-N 3.19Å; V318-L321 WeakPolarHBondContact O-CB 3.48Å; V318-L321 PolarHBondContact O-N 3.24Å; V318-L321 VanDerWaalsContact O-N 3.09Å; V318-L322 HydrophobicContact CG1-CD1 4.18Å; V318-L322 HydrophobicContact CG1-CG 4.08Å; V318-L322 VanDerWaalsContact O-CG 3.3Å; V318-L322 WeakPolarHBondContact O-CG 3.47Å; V318-L322 PolarHBondContact O-N 2.57Å; V318-L343 HydrophobicContact CG1-CD2 3.83Å; V318-I348 HydrophobicContact CG2-CD1 4.09Å
319V94.4Very high90.9Very high0 Ų014 Ų140%08%0.077CC..Hα-helixtrans-55.8-41.3175.4171.50000111.6I228 I231 V232 T243 L314 S315 M316 L322 R323I228-V319 HydrophobicContact CD1-CB 4.45Å; I228-V319 HydrophobicContact CD1-CG1 3.86Å; I228-V319 HydrophobicContact CD1-CG2 4.25Å; I228-V319 HydrophobicContact CG2-CG1 4.35Å; I228-V319 WeakPolarHBondContact CG2-O 3.1Å; I231-V319 HydrophobicContact CB-CG1 4.32Å; I231-V319 HydrophobicContact CG2-CG1 3.9Å; V232-V319 HydrophobicContact CG2-CG1 3.75Å; T243-V319 HydrophobicContact CG2-CG2 4.32Å; L314-V319 HydrophobicContact CB-CG2 3.73Å; L314-V319 HydrophobicContact CD1-CG2 3.98Å; S315-V319 WeakPolarHBondContact O-CG2 3.46Å; S315-V319 PolarHBondContact O-N 2.81Å; M316-V319 WeakPolarHBondContact O-CB 3.23Å; M316-V319 PolarHBondContact O-N 2.96Å; M316-V319 VanDerWaalsContact O-N 3.12Å; M316-V319 HydrophobicContact SD-CB 4.43Å; V319-L322 PolarHBondContact O-N 2.93Å; V319-R323 PolarHBondContact O-N 3.18Å; V319-R323 VanDerWaalsContact O-N 3.1Å
320Q91.9Very high90.6Very high25 Ų2517.7 Ų17.712%0.11710%0.098CC..Hα-helixtrans-65.5-41.2175.4-61.3-179.4-54.700113Y63 V232 M316 P317 V318 R323Y63-Q320 HydrophobicContact CE2-CB 3.86Å; Y63-Q320 PolarHBondContact OH-OE1 3.14Å; V232-Q320 HydrophobicContact CG2-CG 4.29Å; M316-Q320 WeakPolarHBondContact O-CG 3.35Å; M316-Q320 PolarHBondContact O-N 2.87Å; P317-Q320 PolarHBondContact O-N 3.19Å; V318-Q320 VanDerWaalsContact C-N 3.26Å; V318-Q320 PolarHBondContact O-N 3.19Å; Q320-R323 WeakPolarHBondContact O-CB 3.23Å; Q320-R323 PolarHBondContact O-N 2.82Å
321L93.7Very high90Very high11 Ų1121 Ų216%0.05812%0.115CC..Hα-helixtrans-62.8-44.8175.2-65.6172.5000110.8Y60 Y63 P317 V318 R323 V324 G325 F346 I348Y60-L321 HydrophobicContact CD1-CD2 4.46Å; Y60-L321 HydrophobicContact CE1-CD2 4.16Å; Y63-L321 HydrophobicContact CD1-CD2 3.68Å; Y63-L321 HydrophobicContact CD2-CD2 3.75Å; Y63-L321 HydrophobicContact CE1-CD2 3.92Å; Y63-L321 HydrophobicContact CE2-CD2 3.98Å; Y63-L321 HydrophobicContact CG-CD2 3.58Å; P317-L321 WeakPolarHBondContact O-CG 3.34Å; P317-L321 PolarHBondContact O-N 3.14Å; P317-L321 VanDerWaalsContact O-N 3.13Å; V318-L321 WeakPolarHBondContact O-CB 3.48Å; V318-L321 PolarHBondContact O-N 3.24Å; V318-L321 VanDerWaalsContact O-N 3.09Å; L321-R323 VanDerWaalsContact C-N 3.28Å; L321-R323 PolarHBondContact O-N 3.23Å; L321-V324 PolarHBondContact O-N 3.07Å; L321-V324 VanDerWaalsContact O-N 3.13Å; L321-G325 PolarHBondContact O-N 3.43Å; L321-F346 HydrophobicContact CB-CD1 4.35Å; L321-F346 HydrophobicContact CB-CD2 3.98Å; L321-F346 HydrophobicContact CB-CE1 4.16Å; L321-F346 HydrophobicContact CB-CE2 3.78Å; L321-F346 HydrophobicContact CB-CG 4.26Å; L321-F346 HydrophobicContact CB-CZ 3.86Å; L321-F346 HydrophobicContact CD1-CD1 4.44Å; L321-F346 HydrophobicContact CD1-CG 4.43Å; L321-F346 HydrophobicContact CD2-CD1 3.89Å; L321-F346 HydrophobicContact CD2-CE1 3.64Å; L321-F346 HydrophobicContact CD2-CZ 4.11Å; L321-F346 HydrophobicContact CG-CD1 4.46Å; L321-F346 HydrophobicContact CG-CE1 4.41Å; L321-F346 WeakPolarHBondContact O-CE2 3.07Å; L321-F346 VanDerWaalsContact O-CZ 3.24Å; L321-F346 WeakPolarHBondContact O-CZ 3.38Å; L321-I348 HydrophobicContact CD1-CD1 3.74Å
322L94Very high89.6Confident1 Ų121.4 Ų21.41%0.00512%0.116CC..Hα-helixtrans-59.3-39178.6-69.5-178.4000112.2I228 L314 V318 V319 V324 G325 F326 L339 I342 L343I228-L322 HydrophobicContact CD1-CD1 4.36Å; I228-L322 HydrophobicContact CG2-CB 4.13Å; L314-L322 HydrophobicContact CD1-CD1 3.52Å; L314-L322 HydrophobicContact CD2-CD1 4.26Å; V318-L322 HydrophobicContact CG1-CD1 4.18Å; V318-L322 HydrophobicContact CG1-CG 4.08Å; V318-L322 VanDerWaalsContact O-CG 3.3Å; V318-L322 WeakPolarHBondContact O-CG 3.47Å; V318-L322 PolarHBondContact O-N 2.57Å; V319-L322 PolarHBondContact O-N 2.93Å; L322-V324 VanDerWaalsContact C-N 3.27Å; L322-V324 PolarHBondContact O-N 3.43Å; L322-G325 CarbonylContact O-C 3.58Å; L322-G325 PolarHBondContact O-N 2.85Å; L322-G325 VanDerWaalsContact O-N 3.1Å; L322-F326 HydrophobicContact CB-CD2 4.12Å; L322-F326 HydrophobicContact CB-CE2 3.88Å; L322-F326 HydrophobicContact CD1-CE2 4.49Å; L322-F326 WeakPolarHBondContact O-CD2 3.43Å; L322-F326 PolarHBondContact O-N 3.18Å; L322-L339 HydrophobicContact CD1-CD1 3.49Å; L322-L339 VanDerWaalsContact CD1-CD1 3.49Å; L322-L339 HydrophobicContact CD2-CD1 3.4Å; L322-L339 VanDerWaalsContact CD2-CD1 3.4Å; L322-L339 HydrophobicContact CG-CD1 4.09Å; L322-I342 HydrophobicContact CD2-CB 4.18Å; L322-I342 HydrophobicContact CD2-CG2 3.58Å; L322-L343 HydrophobicContact CD2-CD2 4.03Å; L322-L343 HydrophobicContact CD2-CG 4.35Å
323R92.2Very high88.9Confident13 Ų1324.4 Ų24.45%0.04914%0.136CC..Hα-helixtrans-56.3-41.4176.2175.154.2176.296.1-2112.9L77 I228 D229 V232 V319 Q320 L321 N327L77-R323 VanDerWaalsContact CD1-NH1 3.26Å; I228-R323 HydrophobicContact CG2-CB 3.8Å; D229-R323 VanDerWaalsContact CG-NE 3.31Å; D229-R323 IonicContact OD1-CZ 3.35Å; D229-R323 IonicContact OD1-NE 3.9Å; D229-R323 PolarHBondContact OD1-NE 3.01Å; D229-R323 IonicContact OD1-NH2 2.7Å; D229-R323 PolarHBondContact OD1-NH2 3.04Å; V232-R323 HydrophobicContact CB-CB 4.3Å; V232-R323 HydrophobicContact CB-CG 4.23Å; V232-R323 HydrophobicContact CG1-CB 4.34Å; V232-R323 HydrophobicContact CG1-CG 4.1Å; V232-R323 HydrophobicContact CG2-CB 3.86Å; V232-R323 HydrophobicContact CG2-CG 4.34Å; V319-R323 PolarHBondContact O-N 3.18Å; V319-R323 VanDerWaalsContact O-N 3.1Å; Q320-R323 WeakPolarHBondContact O-CB 3.23Å; Q320-R323 PolarHBondContact O-N 2.82Å; L321-R323 VanDerWaalsContact C-N 3.28Å; L321-R323 PolarHBondContact O-N 3.23Å; R323-N327 PolarHBondContact O-N 2.83Å
324V90.6Very high88.4Confident0 Ų026.8 Ų26.80%015%0.146CC..Hα-helixtrans-70.4-42.51761790000110.4I62 Y63 E66 L321 L322 N327 H328 F346I62-V324 HydrophobicContact CB-CG1 4.11Å; I62-V324 HydrophobicContact CG2-CG1 3.56Å; Y63-V324 HydrophobicContact CD2-CG2 3.86Å; E66-V324 WeakPolarHBondContact OE2-CG2 3.46Å; L321-V324 PolarHBondContact O-N 3.07Å; L321-V324 VanDerWaalsContact O-N 3.13Å; L322-V324 VanDerWaalsContact C-N 3.27Å; L322-V324 PolarHBondContact O-N 3.43Å; V324-N327 PolarHBondContact O-N 3.46Å; V324-H328 PolarHBondContact O-N 3.07Å; V324-H328 PolarHBondContact O-ND1 3.17Å; V324-F346 HydrophobicContact CB-CZ 4.47Å
325G90.8Very high88Confident0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-59.5-48.5177.300000113.3L321 L322 N327 H328 V329L321-G325 PolarHBondContact O-N 3.43Å; L322-G325 CarbonylContact O-C 3.58Å; L322-G325 PolarHBondContact O-N 2.85Å; L322-G325 VanDerWaalsContact O-N 3.1Å; G325-N327 PolarHBondContact O-N 3.17Å; G325-H328 PolarHBondContact O-N 3.04Å; G325-V329 WeakPolarHBondContact O-CB 3.08Å; G325-V329 WeakPolarHBondContact O-CG2 3.42Å; G325-V329 PolarHBondContact O-N 3.48Å
326F89.5Confident87.8Confident18 Ų1828.1 Ų28.18%0.07915%0.153CC..Hα-helixtrans-62.3-27.5179.4-75.4-55.9000113.2L221 I225 I228 L322 H328 L338 I342L221-F326 HydrophobicContact CD1-CE1 4.39Å; I225-F326 HydrophobicContact CD1-CD1 4.31Å; I225-F326 HydrophobicContact CG1-CB 4.17Å; I225-F326 HydrophobicContact CG1-CD1 3.76Å; I225-F326 HydrophobicContact CG1-CE1 4.3Å; I225-F326 HydrophobicContact CG1-CG 3.95Å; I225-F326 HydrophobicContact CG2-CB 4.39Å; I228-F326 HydrophobicContact CB-CD2 4.32Å; I228-F326 HydrophobicContact CB-CE2 4.34Å; I228-F326 HydrophobicContact CG1-CD2 4.45Å; I228-F326 HydrophobicContact CG1-CE2 3.97Å; I228-F326 HydrophobicContact CG2-CD2 4.11Å; I228-F326 HydrophobicContact CG2-CE2 4.35Å; L322-F326 HydrophobicContact CB-CD2 4.12Å; L322-F326 HydrophobicContact CB-CE2 3.88Å; L322-F326 HydrophobicContact CD1-CE2 4.49Å; L322-F326 WeakPolarHBondContact O-CD2 3.43Å; L322-F326 PolarHBondContact O-N 3.18Å; F326-H328 VanDerWaalsContact C-N 3.34Å; F326-L338 HydrophobicContact CD1-CD2 3.73Å; F326-L338 HydrophobicContact CD1-CG 4.12Å; F326-L338 HydrophobicContact CE1-CD2 3.77Å; F326-L338 HydrophobicContact CE1-CG 3.9Å; F326-I342 HydrophobicContact CD1-CD1 3.43Å; F326-I342 VanDerWaalsContact CD1-CD1 3.43Å; F326-I342 HydrophobicContact CD2-CD1 4.46Å; F326-I342 HydrophobicContact CE1-CD1 3.61Å; F326-I342 HydrophobicContact CG-CD1 3.89Å; F326-I342 HydrophobicContact CZ-CD1 4.2Å
327N84.9Confident87.7Confident71 Ų7128 Ų2838%0.3815%0.152SC..Hα-helixtrans-74.6-24176.5-16756.8000113.2L77 R323 V324 G325L77-N327 HydrophobicContact CD2-CB 4.47Å; L77-N327 VanDerWaalsContact CD2-OD1 3.29Å; L77-N327 WeakPolarHBondContact CD2-OD1 3.45Å; R323-N327 PolarHBondContact O-N 2.83Å; V324-N327 PolarHBondContact O-N 3.46Å; G325-N327 PolarHBondContact O-N 3.17Å
328H85.4Confident87.6Confident51 Ų5126.4 Ų26.424%0.23614%0.142CC..Hα-helixtrans-116.2-13.6-170.1-6693.8000114.1I57 L59 E66 V324 G325 F326I57-H328 HydrophobicContact CD1-CB 4.42Å; L59-H328 HydrophobicContact CD2-CB 3.88Å; E66-H328 IonicContact OE1-CE1 2.74Å; E66-H328 PolarHBondContact OE1-CE1 3.39Å; V324-H328 PolarHBondContact O-N 3.07Å; V324-H328 PolarHBondContact O-ND1 3.17Å; G325-H328 PolarHBondContact O-N 3.04Å; F326-H328 VanDerWaalsContact C-N 3.34Å
329V81.7Confident87.6Confident17 Ų1726.7 Ų26.710%0.10314%0.143CC..  trans-107.599.3179-173.70000109L59 G325 L338 I341 I342 K345L59-V329 HydrophobicContact CD1-CG2 4.42Å; G325-V329 WeakPolarHBondContact O-CB 3.08Å; G325-V329 WeakPolarHBondContact O-CG2 3.42Å; G325-V329 PolarHBondContact O-N 3.48Å; V329-L338 HydrophobicContact CB-CD1 3.83Å; V329-L338 HydrophobicContact CG1-CD1 3.35Å; V329-I341 HydrophobicContact CG1-CG2 4.13Å; V329-I342 HydrophobicContact CB-CG1 4.16Å; V329-I342 HydrophobicContact CG2-CG1 3.97Å; V329-K345 HydrophobicContact CG2-CD 4.02Å
330T68.6Low87.5Confident112 Ų11226.7 Ų26.769%0.68714%0.143SC*.  trans-107.5-0-163.455.20000115.4
331N71.7Confident87.5Confident73 Ų7326.8 Ų26.839%0.3914%0.144SC..SBendtrans-113.215.4-163.2-64.6-0000115.2
332M84.2Confident87.5Confident11 Ų1126.2 Ų26.25%0.05414%0.141CC..  trans-125.3114.1-179-173.758.362.100110.8L221 I293 Y298 Y303 Y334 I337 L338 I341L221-M332 WeakPolarHBondContact CD2-O 3.5Å; I293-M332 HydrophobicContact CD1-CE 3.47Å; I293-M332 VanDerWaalsContact CD1-CE 3.47Å; I293-M332 HydrophobicContact CD1-SD 3.51Å; I293-M332 VanDerWaalsContact CD1-SD 3.51Å; Y298-M332 HydrophobicContact CD2-CE 3.66Å; Y298-M332 HydrophobicContact CE2-CE 4.39Å; Y298-M332 HydrophobicContact CG-CE 4.06Å; Y303-M332 HydrophobicContact CE1-CE 4.22Å; M332-Y334 VanDerWaalsContact C-N 3.29Å; M332-Y334 PolarHBondContact O-N 2.62Å; M332-Y334 HydrophobicContact SD-CD2 3.91Å; M332-I337 HydrophobicContact CE-CG2 3.67Å; M332-I337 HydrophobicContact CG-CB 4.02Å; M332-I337 HydrophobicContact CG-CG2 3.83Å; M332-I337 HydrophobicContact SD-CB 4.05Å; M332-I337 HydrophobicContact SD-CG2 3.62Å; M332-L338 HydrophobicContact CB-CB 3.93Å; M332-L338 HydrophobicContact CB-CD1 4.01Å; M332-L338 HydrophobicContact CB-CG 4.44Å; M332-L338 HydrophobicContact CG-CB 3.9Å; M332-I341 HydrophobicContact CB-CD1 4.46Å; M332-I341 HydrophobicContact CE-CD1 3.71Å; M332-I341 HydrophobicContact CG-CD1 4.37Å
333P81.7Confident87.6Confident69 Ų6926.2 Ų26.245%0.44814%0.141SC..  trans-79.3-11.8-178.432.3-35.6000113.5
334Y87.5Confident87.6Confident51 Ų5130.4 Ų30.420%0.216%0.164CC..  trans-97.8124.7-178.3-54.2-61.3000110.2K291 Y292 I293 M332 I337 L338K291-Y334 VanDerWaalsContact CA-CZ 3.46Å; K291-Y334 VanDerWaalsContact CA-OH 3.23Å; K291-Y334 WeakPolarHBondContact CA-OH 3.25Å; K291-Y334 HydrophobicContact CB-CE1 4.17Å; K291-Y334 HydrophobicContact CG-CD1 4.46Å; K291-Y334 HydrophobicContact CG-CE1 4.21Å; Y292-Y334 PolarHBondContact N-OH 3.08Å; Y292-Y334 PolarHBondContact O-OH 3.25Å; I293-Y334 HydrophobicContact CB-CE2 4.31Å; M332-Y334 VanDerWaalsContact C-N 3.29Å; M332-Y334 PolarHBondContact O-N 2.62Å; M332-Y334 HydrophobicContact SD-CD2 3.91Å; Y334-I337 HydrophobicContact CD2-CD1 3.82Å; Y334-I337 HydrophobicContact CG-CD1 4.04Å; Y334-L338 WeakPolarHBondContact O-CB 3.25Å; Y334-L338 PolarHBondContact O-N 2.88Å
335D88.5Confident87.6Confident25 Ų2533.5 Ų33.513%0.13418%0.177CC..Hα-helixtrans-66-46.4-173.554-5.1000113.3R128 L221 W224 L338 L339R128-D335 IonicContact CZ-OD2 2.83Å; R128-D335 IonicContact NH1-OD2 3.72Å; R128-D335 PolarHBondContact NH1-OD2 3.06Å; R128-D335 IonicContact NH2-OD2 3.81Å; L221-D335 HydrophobicContact CD1-CB 3.97Å; W224-D335 PolarHBondContact NE1-OD2 2.71Å; D335-L338 PolarHBondContact O-N 3.01Å; D335-L339 VanDerWaalsContact O-CB 3.27Å; D335-L339 WeakPolarHBondContact O-CB 3.4Å; D335-L339 PolarHBondContact O-N 2.95Å
336D91.2Very high87.7Confident2 Ų233.6 Ų33.61%0.01118%0.178CC..Hα-helixtrans-55.1-52.7175.358.4-4000111.4K291 Y306 I307 L339 G340K291-D336 IonicContact NZ-OD2 3.17Å; K291-D336 PolarHBondContact NZ-OD2 3.25Å; Y306-D336 WeakPolarHBondContact CB-O 3.39Å; Y306-D336 HydrophobicContact CD2-CB 3.75Å; Y306-D336 HydrophobicContact CE2-CB 3.99Å; I307-D336 WeakPolarHBondContact O-CB 3.01Å; D336-L339 WeakPolarHBondContact O-CB 3.42Å; D336-L339 PolarHBondContact O-N 3.38Å; D336-G340 PolarHBondContact O-N 2.61Å
337I91.2Very high87.9Confident2 Ų236 Ų361%0.0121%0.207CC..Hα-helixtrans-68.2-42.4-179.2-63.4156.6000111.1Y303 Y306 M332 Y334 L339 G340 I341Y303-I337 HydrophobicContact CD1-CD1 4.46Å; Y303-I337 HydrophobicContact CD1-CG1 4.43Å; Y303-I337 HydrophobicContact CD1-CG2 3.55Å; Y303-I337 HydrophobicContact CD2-CD1 4.01Å; Y303-I337 HydrophobicContact CD2-CG1 4.17Å; Y303-I337 HydrophobicContact CE1-CD1 4.02Å; Y303-I337 HydrophobicContact CE1-CG1 4.44Å; Y303-I337 HydrophobicContact CE1-CG2 3.7Å; Y303-I337 HydrophobicContact CE2-CD1 3.47Å; Y303-I337 VanDerWaalsContact CE2-CD1 3.47Å; Y303-I337 HydrophobicContact CE2-CG1 4.14Å; Y303-I337 HydrophobicContact CG-CD1 4.45Å; Y303-I337 HydrophobicContact CG-CG1 4.29Å; Y303-I337 HydrophobicContact CG-CG2 4.1Å; Y303-I337 VanDerWaalsContact CZ-CD1 3.45Å; Y306-I337 HydrophobicContact CD1-CG1 4.18Å; Y306-I337 HydrophobicContact CE1-CG1 4Å; M332-I337 HydrophobicContact CE-CG2 3.67Å; M332-I337 HydrophobicContact CG-CB 4.02Å; M332-I337 HydrophobicContact CG-CG2 3.83Å; M332-I337 HydrophobicContact SD-CB 4.05Å; M332-I337 HydrophobicContact SD-CG2 3.62Å; Y334-I337 HydrophobicContact CD2-CD1 3.82Å; Y334-I337 HydrophobicContact CG-CD1 4.04Å; I337-L339 VanDerWaalsContact C-N 3.31Å; I337-L339 PolarHBondContact O-N 3.11Å; I337-G340 PolarHBondContact O-N 2.89Å; I337-I341 HydrophobicContact CG2-CD1 3.97Å; I337-I341 HydrophobicContact CG2-CG1 4.46Å; I337-I341 WeakPolarHBondContact O-CG1 3.4Å; I337-I341 PolarHBondContact O-N 2.64Å
338L91.4Very high88.4Confident3 Ų332.9 Ų32.92%0.01619%0.19CC..Hα-helixtrans-60.5-43.8177.5178.656.4000110.9L221 F326 V329 M332 Y334 D335 G340 I341 I342L221-L338 HydrophobicContact CD1-CD2 3.69Å; L221-L338 HydrophobicContact CD2-CD2 3.87Å; L221-L338 HydrophobicContact CG-CD2 4.4Å; F326-L338 HydrophobicContact CD1-CD2 3.73Å; F326-L338 HydrophobicContact CD1-CG 4.12Å; F326-L338 HydrophobicContact CE1-CD2 3.77Å; F326-L338 HydrophobicContact CE1-CG 3.9Å; V329-L338 HydrophobicContact CB-CD1 3.83Å; V329-L338 HydrophobicContact CG1-CD1 3.35Å; M332-L338 HydrophobicContact CB-CB 3.93Å; M332-L338 HydrophobicContact CB-CD1 4.01Å; M332-L338 HydrophobicContact CB-CG 4.44Å; M332-L338 HydrophobicContact CG-CB 3.9Å; Y334-L338 WeakPolarHBondContact O-CB 3.25Å; Y334-L338 PolarHBondContact O-N 2.88Å; D335-L338 PolarHBondContact O-N 3.01Å; L338-G340 VanDerWaalsContact C-N 3.35Å; L338-G340 PolarHBondContact O-N 3.41Å; L338-I341 PolarHBondContact O-N 3.31Å; L338-I342 HydrophobicContact CD1-CD1 3.95Å; L338-I342 HydrophobicContact CD1-CG1 4.19Å; L338-I342 HydrophobicContact CG-CD1 3.91Å; L338-I342 WeakPolarHBondContact O-CG1 3.4Å; L338-I342 PolarHBondContact O-N 2.81Å
339L93.5Very high88.9Confident5 Ų534.8 Ų34.83%0.02621%0.21CC..Hα-helixtrans-57.5-47.5174.3175.562.7000111.1I307 I312 L322 D335 D336 I337 I341 I342 L343I307-L339 HydrophobicContact CB-CD2 4.42Å; I307-L339 HydrophobicContact CD1-CD2 4.41Å; I312-L339 HydrophobicContact CD1-CD2 3.8Å; I312-L339 HydrophobicContact CG1-CD2 4.38Å; I312-L339 HydrophobicContact CG2-CD2 3.93Å; L322-L339 HydrophobicContact CD1-CD1 3.49Å; L322-L339 VanDerWaalsContact CD1-CD1 3.49Å; L322-L339 HydrophobicContact CD2-CD1 3.4Å; L322-L339 VanDerWaalsContact CD2-CD1 3.4Å; L322-L339 HydrophobicContact CG-CD1 4.09Å; D335-L339 VanDerWaalsContact O-CB 3.27Å; D335-L339 WeakPolarHBondContact O-CB 3.4Å; D335-L339 PolarHBondContact O-N 2.95Å; D336-L339 WeakPolarHBondContact O-CB 3.42Å; D336-L339 PolarHBondContact O-N 3.38Å; I337-L339 VanDerWaalsContact C-N 3.31Å; I337-L339 PolarHBondContact O-N 3.11Å; L339-I341 VanDerWaalsContact C-N 3.35Å; L339-I341 PolarHBondContact O-N 2.99Å; L339-I342 PolarHBondContact O-N 3.22Å; L339-L343 HydrophobicContact CD1-CD1 4.18Å; L339-L343 HydrophobicContact CD1-CG 4.16Å; L339-L343 HydrophobicContact CG-CD1 4.1Å; L339-L343 HydrophobicContact CG-CG 4.47Å; L339-L343 WeakPolarHBondContact O-CB 3.48Å; L339-L343 VanDerWaalsContact O-CG 3.3Å; L339-L343 WeakPolarHBondContact O-CG 3.35Å; L339-L343 PolarHBondContact O-N 3.12Å
340G93.7Very high89.6Confident0 Ų034.6 Ų34.60%021%0.209CC..Hα-helixtrans-59-42.1176.500000113.5D336 I337 L338 L343 L344D336-G340 PolarHBondContact O-N 2.61Å; I337-G340 PolarHBondContact O-N 2.89Å; L338-G340 VanDerWaalsContact C-N 3.35Å; L338-G340 PolarHBondContact O-N 3.41Å; G340-L343 PolarHBondContact O-N 3.02Å; G340-L344 WeakPolarHBondContact O-CB 3.24Å; G340-L344 PolarHBondContact O-N 3.38Å
341I91.9Very high91Very high27 Ų2732.5 Ų32.514%0.13819%0.193CC..Hα-helixtrans-63.2-45.2176.2-69.3168000111.1Y298 P304 V329 M332 I337 L338 L339 L344 K345Y298-I341 HydrophobicContact CD2-CD1 4.37Å; Y298-I341 HydrophobicContact CE2-CD1 4.07Å; P304-I341 HydrophobicContact CG-CG1 3.71Å; V329-I341 HydrophobicContact CG1-CG2 4.13Å; M332-I341 HydrophobicContact CB-CD1 4.46Å; M332-I341 HydrophobicContact CE-CD1 3.71Å; M332-I341 HydrophobicContact CG-CD1 4.37Å; I337-I341 HydrophobicContact CG2-CD1 3.97Å; I337-I341 HydrophobicContact CG2-CG1 4.46Å; I337-I341 WeakPolarHBondContact O-CG1 3.4Å; I337-I341 PolarHBondContact O-N 2.64Å; L338-I341 PolarHBondContact O-N 3.31Å; L339-I341 VanDerWaalsContact C-N 3.35Å; L339-I341 PolarHBondContact O-N 2.99Å; I341-L344 PolarHBondContact O-N 3.3Å; I341-K345 HydrophobicContact CG2-CD 4.4Å; I341-K345 WeakPolarHBondContact O-CG 3.45Å; I341-K345 PolarHBondContact O-N 2.89Å
342I93.6Very high92.2Very high0 Ų032.4 Ų32.40%019%0.19CC..Hα-helixtrans-63.9-46.7179.3-67.7165.5000110.4L322 F326 V329 L338 L339 L344 K345 F346L322-I342 HydrophobicContact CD2-CB 4.18Å; L322-I342 HydrophobicContact CD2-CG2 3.58Å; F326-I342 HydrophobicContact CD1-CD1 3.43Å; F326-I342 VanDerWaalsContact CD1-CD1 3.43Å; F326-I342 HydrophobicContact CD2-CD1 4.46Å; F326-I342 HydrophobicContact CE1-CD1 3.61Å; F326-I342 HydrophobicContact CG-CD1 3.89Å; F326-I342 HydrophobicContact CZ-CD1 4.2Å; V329-I342 HydrophobicContact CB-CG1 4.16Å; V329-I342 HydrophobicContact CG2-CG1 3.97Å; L338-I342 HydrophobicContact CD1-CD1 3.95Å; L338-I342 HydrophobicContact CD1-CG1 4.19Å; L338-I342 HydrophobicContact CG-CD1 3.91Å; L338-I342 WeakPolarHBondContact O-CG1 3.4Å; L338-I342 PolarHBondContact O-N 2.81Å; L339-I342 PolarHBondContact O-N 3.22Å; I342-L344 VanDerWaalsContact C-N 3.33Å; I342-L344 PolarHBondContact O-N 2.67Å; I342-K345 PolarHBondContact O-N 2.94Å; I342-K345 VanDerWaalsContact O-N 3.17Å; I342-F346 HydrophobicContact CG2-CD2 3.76Å; I342-F346 HydrophobicContact CG2-CE2 3.63Å; I342-F346 VanDerWaalsContact O-CD2 3.25Å; I342-F346 WeakPolarHBondContact O-CD2 3.26Å; I342-F346 PolarHBondContact O-N 3.39Å; I342-F346 VanDerWaalsContact O-N 3.08Å
343L95Very high92.7Very high1 Ų132.8 Ų32.81%0.00519%0.192CC..Hα-helixtrans-58.4-45176.9-70.4175.9000111.4A273 I307 V318 L322 L339 G340 K345 F346 G347 I348 P350A273-L343 HydrophobicContact CB-CD1 4.03Å; A273-L343 HydrophobicContact CB-CD2 4.1Å; I307-L343 HydrophobicContact CD1-CD1 4.33Å; V318-L343 HydrophobicContact CG1-CD2 3.83Å; L322-L343 HydrophobicContact CD2-CD2 4.03Å; L322-L343 HydrophobicContact CD2-CG 4.35Å; L339-L343 HydrophobicContact CD1-CD1 4.18Å; L339-L343 HydrophobicContact CD1-CG 4.16Å; L339-L343 HydrophobicContact CG-CD1 4.1Å; L339-L343 HydrophobicContact CG-CG 4.47Å; L339-L343 WeakPolarHBondContact O-CB 3.48Å; L339-L343 VanDerWaalsContact O-CG 3.3Å; L339-L343 WeakPolarHBondContact O-CG 3.35Å; L339-L343 PolarHBondContact O-N 3.12Å; G340-L343 PolarHBondContact O-N 3.02Å; L343-K345 VanDerWaalsContact C-N 3.34Å; L343-K345 PolarHBondContact O-N 2.74Å; L343-F346 CarbonylContact O-C 3.53Å; L343-F346 PolarHBondContact O-N 2.89Å; L343-F346 VanDerWaalsContact O-N 3.12Å; L343-G347 PolarHBondContact O-N 2.86Å; L343-G347 VanDerWaalsContact O-N 3.13Å; L343-I348 CarbonylContact C-O 3.58Å; L343-I348 HydrophobicContact CB-CB 4.33Å; L343-I348 HydrophobicContact CD2-CB 4.11Å; L343-I348 HydrophobicContact CD2-CD1 4.27Å; L343-I348 HydrophobicContact CD2-CG2 3.97Å; L343-I348 PolarHBondContact O-N 3.48Å; L343-P350 HydrophobicContact CD1-CB 4.22Å
344L93.3Very high93.2Very high100 Ų10037.2 Ų37.252%0.52420%0.204SC..Hα-helixtrans-59.6-43.2175.7178.864.6000111.9P304 G340 I341 I342 F346 G347P304-L344 HydrophobicContact CB-CB 4.28Å; P304-L344 HydrophobicContact CB-CD2 3.65Å; P304-L344 HydrophobicContact CG-CD2 4.45Å; G340-L344 WeakPolarHBondContact O-CB 3.24Å; G340-L344 PolarHBondContact O-N 3.38Å; I341-L344 PolarHBondContact O-N 3.3Å; I342-L344 VanDerWaalsContact C-N 3.33Å; I342-L344 PolarHBondContact O-N 2.67Å; L344-F346 PolarHBondContact O-N 3.46Å; L344-G347 WeakPolarHBondContact O-CA 3.15Å; L344-G347 PolarHBondContact O-N 3.47Å
345K90.1Very high93.4Very high65 Ų6536.5 Ų36.528%0.28320%0.204SC..Hα-helixtrans-63.6-28.1177.1-75.7179.7179-79.60112.8P54 P55 L59 V329 I341 I342 L343 G347P54-K345 PolarHBondContact O-NZ 3.25Å; P55-K345 PolarHBondContact O-NZ 2.03Å; L59-K345 HydrophobicContact CD1-CB 3.61Å; L59-K345 HydrophobicContact CD1-CD 3.77Å; L59-K345 HydrophobicContact CD1-CG 4.35Å; L59-K345 HydrophobicContact CG-CB 4.43Å; L59-K345 HydrophobicContact CG-CD 4.43Å; V329-K345 HydrophobicContact CG2-CD 4.02Å; I341-K345 HydrophobicContact CG2-CD 4.4Å; I341-K345 WeakPolarHBondContact O-CG 3.45Å; I341-K345 PolarHBondContact O-N 2.89Å; I342-K345 PolarHBondContact O-N 2.94Å; I342-K345 VanDerWaalsContact O-N 3.17Å; L343-K345 VanDerWaalsContact C-N 3.34Å; L343-K345 PolarHBondContact O-N 2.74Å; K345-G347 VanDerWaalsContact C-N 3.31Å
346F92.9Very high93.7Very high3 Ų335.3 Ų35.31%0.01320%0.197CC..THydrogen-bonded Turntrans-86.96169.8-71.5-67.4000113.5L59 Y60 L321 V324 I342 L343 L344 I348L59-F346 HydrophobicContact CB-CD1 4.13Å; L59-F346 HydrophobicContact CB-CE1 3.49Å; L59-F346 VanDerWaalsContact CB-CE1 3.49Å; L59-F346 HydrophobicContact CB-CE2 4.21Å; L59-F346 HydrophobicContact CB-CZ 3.55Å; L59-F346 HydrophobicContact CD1-CD2 4.29Å; L59-F346 HydrophobicContact CD1-CE2 3.82Å; L59-F346 HydrophobicContact CD1-CZ 4Å; L59-F346 HydrophobicContact CG-CZ 4.35Å; Y60-F346 HydrophobicContact CD1-CD1 4.06Å; Y60-F346 HydrophobicContact CD1-CE1 4.42Å; Y60-F346 AromaticContact CD2-CD1 3.87Å; Y60-F346 HydrophobicContact CD2-CD1 3.87Å; Y60-F346 AromaticContact CE1-CD1 3.96Å; Y60-F346 HydrophobicContact CE1-CD1 3.96Å; Y60-F346 HydrophobicContact CE2-CB 3.99Å; Y60-F346 AromaticContact CE2-CD1 3.79Å; Y60-F346 HydrophobicContact CE2-CD1 3.79Å; Y60-F346 HydrophobicContact CE2-CG 4.39Å; Y60-F346 WeakPolarHBondContact CE2-O 3.02Å; Y60-F346 HydrophobicContact CG-CD1 4.01Å; Y60-F346 HydrophobicContact CG-CE1 4.41Å; Y60-F346 AromaticContact CZ-CD1 3.81Å; Y60-F346 VanDerWaalsContact CZ-O 3.25Å; Y60-F346 PolarHBondContact OH-O 3.46Å; L321-F346 HydrophobicContact CB-CD1 4.35Å; L321-F346 HydrophobicContact CB-CD2 3.98Å; L321-F346 HydrophobicContact CB-CE1 4.16Å; L321-F346 HydrophobicContact CB-CE2 3.78Å; L321-F346 HydrophobicContact CB-CG 4.26Å; L321-F346 HydrophobicContact CB-CZ 3.86Å; L321-F346 HydrophobicContact CD1-CD1 4.44Å; L321-F346 HydrophobicContact CD1-CG 4.43Å; L321-F346 HydrophobicContact CD2-CD1 3.89Å; L321-F346 HydrophobicContact CD2-CE1 3.64Å; L321-F346 HydrophobicContact CD2-CZ 4.11Å; L321-F346 HydrophobicContact CG-CD1 4.46Å; L321-F346 HydrophobicContact CG-CE1 4.41Å; L321-F346 WeakPolarHBondContact O-CE2 3.07Å; L321-F346 VanDerWaalsContact O-CZ 3.24Å; L321-F346 WeakPolarHBondContact O-CZ 3.38Å; V324-F346 HydrophobicContact CB-CZ 4.47Å; I342-F346 HydrophobicContact CG2-CD2 3.76Å; I342-F346 HydrophobicContact CG2-CE2 3.63Å; I342-F346 VanDerWaalsContact O-CD2 3.25Å; I342-F346 WeakPolarHBondContact O-CD2 3.26Å; I342-F346 PolarHBondContact O-N 3.39Å; I342-F346 VanDerWaalsContact O-N 3.08Å; L343-F346 CarbonylContact O-C 3.53Å; L343-F346 PolarHBondContact O-N 2.89Å; L343-F346 VanDerWaalsContact O-N 3.12Å; L344-F346 PolarHBondContact O-N 3.46Å; F346-I348 HydrophobicContact CB-CD1 3.9Å; F346-I348 HydrophobicContact CB-CG1 4.08Å; F346-I348 PolarHBondContact O-N 2.82Å
347G93.5Very high93.7Very high67 Ų6738 Ų3869%0.69121%0.208SC*.THydrogen-bonded Turntrans64.421.9-17800000113.8L343 L344 K345L343-G347 PolarHBondContact O-N 2.86Å; L343-G347 VanDerWaalsContact O-N 3.13Å; L344-G347 WeakPolarHBondContact O-CA 3.15Å; L344-G347 PolarHBondContact O-N 3.47Å; K345-G347 VanDerWaalsContact C-N 3.31Å
348I95.7Very high93.4Very high6 Ų638.9 Ų38.93%0.03121%0.213CC..PPolyproline II helixtrans-95.7122.8179.9-60.7170.4000108.5I271 A273 V318 L321 L343 F346I271-I348 HydrophobicContact CB-CG1 4.23Å; I271-I348 HydrophobicContact CB-CG2 4.4Å; I271-I348 HydrophobicContact CG2-CG1 4.26Å; I271-I348 WeakPolarHBondContact O-CG2 3.12Å; A273-I348 HydrophobicContact CB-CG2 4.45Å; V318-I348 HydrophobicContact CG2-CD1 4.09Å; L321-I348 HydrophobicContact CD1-CD1 3.74Å; L343-I348 CarbonylContact C-O 3.58Å; L343-I348 HydrophobicContact CB-CB 4.33Å; L343-I348 HydrophobicContact CD2-CB 4.11Å; L343-I348 HydrophobicContact CD2-CD1 4.27Å; L343-I348 HydrophobicContact CD2-CG2 3.97Å; L343-I348 PolarHBondContact O-N 3.48Å; F346-I348 HydrophobicContact CB-CD1 3.9Å; F346-I348 HydrophobicContact CB-CG1 4.08Å; F346-I348 PolarHBondContact O-N 2.82Å
349S95.9Very high92.5Very high92 Ų9246.3 Ų46.364%0.64325%0.248SC*.PPolyproline II helixtrans-94.7121.2172.6-169.60000109.8
350P97.1Very high91.2Very high12 Ų1250.7 Ų50.78%0.07827%0.268CS..PPolyproline II helixtrans-69.3144.4-179.829.1-34.9000111.7A273 V277 P305 I307 L343A273-P350 WeakPolarHBondContact O-CA 3.28Å; V277-P350 HydrophobicContact CG1-CG 4Å; V277-P350 HydrophobicContact CG2-CB 3.78Å; V277-P350 HydrophobicContact CG2-CG 4.06Å; P305-P350 HydrophobicContact CB-CG 4.37Å; I307-P350 HydrophobicContact CD1-CB 3.81Å; I307-P350 HydrophobicContact CG1-CB 3.55Å; I307-P350 HydrophobicContact CG1-CG 4.34Å; L343-P350 HydrophobicContact CD1-CB 4.22Å
351I97.3Very high89.5Confident68 Ų6856 Ų5635%0.34931%0.305SS..EExtended strand (participates in β ladder)trans-92.2119.1-176.9-59.9168.2000109.8Y272 A273 S274 G275 L353Y272-I351 HydrophobicContact CD2-CD1 3.79Å; Y272-I351 HydrophobicContact CE2-CD1 3.7Å; A273-I351 PolarHBondContact O-N 3.32Å; S274-I351 VanDerWaalsContact CA-O 3.23Å; S274-I351 WeakPolarHBondContact CA-O 2.96Å; S274-I351 VanDerWaalsContact CB-O 3.27Å; S274-I351 WeakPolarHBondContact CB-O 3.17Å; G275-I351 PolarHBondContact N-O 2.94Å; G275-I351 VanDerWaalsContact N-O 3.14Å; I351-L353 HydrophobicContact CG2-CD2 4.47Å
352H96.9Very high88.5Confident71 Ų7157.4 Ų57.433%0.32931%0.313SS..EExtended strand (participates in β ladder)trans-71.3127.1175.2-174.784.6000111.4G275 H276 V277G275-H352 WeakPolarHBondContact O-CA 3.37Å; H276-H352 AromaticContact CE1-CE1 3.9Å; H276-H352 AromaticContact ND1-CE1 3.92Å; V277-H352 HydrophobicContact CB-CB 3.89Å; V277-H352 HydrophobicContact CG2-CB 4.17Å; V277-H352 PolarHBondContact N-ND1 3.03Å; V277-H352 VanDerWaalsContact N-ND1 3.14Å; V277-H352 PolarHBondContact O-ND1 3.03Å; V277-H352 VanDerWaalsContact O-ND1 3.14Å
353L95.5Very high87.9Confident19 Ų1961.2 Ų61.210%0.09933%0.333CS..  trans-112.2107.1174.5-64.4-180000110.3L260 S274 G275 I313 I351 N355 I356 I373L260-L353 HydrophobicContact CD1-CD1 4.47Å; L260-L353 HydrophobicContact CD1-CD2 4.02Å; L260-L353 HydrophobicContact CD2-CD1 3.85Å; S274-L353 WeakPolarHBondContact OG-CD1 3.21Å; G275-L353 PolarHBondContact O-N 3.3Å; I313-L353 HydrophobicContact CD1-CD1 3.99Å; I351-L353 HydrophobicContact CG2-CD2 4.47Å; L353-N355 PolarHBondContact O-N 2.88Å; L353-I356 HydrophobicContact CB-CD1 3.93Å; L353-I356 HydrophobicContact CB-CG1 4.14Å; L353-I356 HydrophobicContact CD1-CD1 3.58Å; L353-I356 HydrophobicContact CD1-CG1 4.46Å; L353-I356 HydrophobicContact CG-CD1 4.36Å; L353-I356 PolarHBondContact O-N 2.83Å; L353-I356 VanDerWaalsContact O-N 3.16Å; L353-I373 HydrophobicContact CD1-CD1 4.38Å
354K91.9Very high87.1Confident163 Ų16364.7 Ų64.771%0.70935%0.348SS*.THydrogen-bonded Turntrans-62.6-12.4-179.171179.6-178.3173.90115
355N91.8Very high86.4Confident35 Ų3567 Ų6719%0.18736%0.356CS..THydrogen-bonded Turntrans-99.36.2-176-63.285.2000112.2L353 Q371 I373L353-N355 PolarHBondContact O-N 2.88Å; N355-Q371 WeakPolarHBondContact CB-O 3.35Å; N355-Q371 PolarHBondContact ND2-O 3.05Å; N355-I373 HydrophobicContact CB-CD1 3.84Å; N355-I373 HydrophobicContact CB-CG1 3.91Å; N355-I373 PolarHBondContact O-N 3.29Å
356I93.9Very high86Confident1 Ų166.1 Ų66.11%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-107.1120.1173.3-69.3178.3000107.8H276 T311 I313 L353 I373 S374H276-I356 HydrophobicContact CB-CG2 4.14Å; H276-I356 PolarHBondContact ND1-O 3.03Å; T311-I356 HydrophobicContact CG2-CD1 4.21Å; I313-I356 HydrophobicContact CD1-CD1 4.26Å; L353-I356 HydrophobicContact CB-CD1 3.93Å; L353-I356 HydrophobicContact CB-CG1 4.14Å; L353-I356 HydrophobicContact CD1-CD1 3.58Å; L353-I356 HydrophobicContact CD1-CG1 4.46Å; L353-I356 HydrophobicContact CG-CD1 4.36Å; L353-I356 PolarHBondContact O-N 2.83Å; L353-I356 VanDerWaalsContact O-N 3.16Å; I356-I373 HydrophobicContact CD1-CG2 4.41Å; I356-I373 HydrophobicContact CG1-CB 3.98Å; I356-I373 HydrophobicContact CG1-CG2 4.19Å; I356-S374 WeakPolarHBondContact CG2-OG 3.2Å
357Y91.2Very high85.5Confident58 Ų5866 Ų6623%0.22736%0.356CS..EExtended strand (participates in β ladder)trans-110.2120-175.5-58.7-78.7000109.7L362 F372 S374 N375 H376Y357-L362 HydrophobicContact CD1-CD1 3.73Å; Y357-L362 HydrophobicContact CD2-CD1 4.02Å; Y357-L362 HydrophobicContact CE1-CD1 3.66Å; Y357-L362 HydrophobicContact CE2-CD1 3.95Å; Y357-L362 HydrophobicContact CG-CD1 3.92Å; Y357-F372 HydrophobicContact CD2-CB 4.02Å; Y357-F372 HydrophobicContact CE2-CB 3.59Å; Y357-S374 PolarHBondContact N-O 2.89Å; Y357-N375 VanDerWaalsContact CB-OD1 3.25Å; Y357-N375 WeakPolarHBondContact CB-OD1 3.27Å; Y357-H376 PolarHBondContact O-N 3.39Å
358T84.4Confident84.9Confident21 Ų2169 Ų6913%0.12935%0.35CS..  trans-100.7-7.4-176.146.80000113.7H276 N308H276-T358 HydrophobicContact CB-CG2 3.56Å; N308-T358 HydrophobicContact CB-CG2 4.24Å
359E73.7Confident84.2Confident159 Ų15976.7 Ų76.774%0.74339%0.386SS*.SBendtrans-113.1137.2178.9-65-174.4170.500110.3
360H65.2Low83.6Confident97 Ų9775.2 Ų75.245%0.44937%0.37SS..SBendtrans-51.8140.9171.3-92.9-95.8000110.3G377 N379H360-G377 VanDerWaalsContact CD2-CA 3.47Å; H360-G377 WeakPolarHBondContact CD2-CA 3.32Å; H360-G377 WeakPolarHBondContact CE1-CA 3.45Å; H360-G377 PolarHBondContact CE1-O 3.48Å; H360-G377 WeakPolarHBondContact ND1-CA 3.31Å; H360-G377 PolarHBondContact ND1-O 2.88Å; H360-G377 WeakPolarHBondContact NE2-CA 3.33Å; H360-N379 PolarHBondContact NE2-ND2 3.48Å
361S58.9Low83.2Confident112 Ų11281 Ų8178%0.78340%0.396SS*.  trans108.436.7158.179.40000120.3
362L71.3Confident83Confident56 Ų5677.8 Ų77.829%0.29338%0.38SS..  trans-81.4125147.9-64.6-177.5000109.5Y357 T366 L367 L370Y357-L362 HydrophobicContact CD1-CD1 3.73Å; Y357-L362 HydrophobicContact CD2-CD1 4.02Å; Y357-L362 HydrophobicContact CE1-CD1 3.66Å; Y357-L362 HydrophobicContact CE2-CD1 3.95Å; Y357-L362 HydrophobicContact CG-CD1 3.92Å; L362-T366 HydrophobicContact CB-CG2 4.48Å; L362-T366 HydrophobicContact CD2-CG2 4.1Å; L362-L367 HydrophobicContact CB-CD1 4.43Å; L362-L367 HydrophobicContact CB-CD2 3.89Å; L362-L367 HydrophobicContact CB-CG 3.83Å; L362-L367 HydrophobicContact CD1-CD2 3.89Å; L362-L370 HydrophobicContact CD1-CD1 3.74Å
363D80.2Confident82.9Confident80 Ų8074.8 Ų74.843%0.42837%0.366SS..  trans-63.8156.3174.775.385.2000110.6Q365 T366 L367D363-Q365 PolarHBondContact O-N 3.07Å; D363-Q365 WeakPolarHBondContact OD1-CA 3.33Å; D363-Q365 VanDerWaalsContact OD1-CB 3.23Å; D363-Q365 WeakPolarHBondContact OD1-CB 3.23Å; D363-Q365 PolarHBondContact OD1-N 3.07Å; D363-T366 PolarHBondContact O-N 3.09Å; D363-T366 PolarHBondContact OD1-N 2.82Å; D363-T366 WeakPolarHBondContact OD2-CB 3.3Å; D363-T366 PolarHBondContact OD2-OG1 3.31Å; D363-L367 PolarHBondContact O-N 3.3Å
364K77.8Confident82.9Confident73 Ų7373.9 Ų73.932%0.31736%0.362SS..Hα-helixtrans-60.8-29.7-174.5-62.3175.4-176.4163.30112.8K368 S386 L387 T390K364-K368 WeakPolarHBondContact O-CB 3.36Å; K364-K368 PolarHBondContact O-N 3.41Å; K364-K368 VanDerWaalsContact O-N 3.09Å; K364-S386 PolarHBondContact NZ-OG 3.49Å; K364-L387 HydrophobicContact CB-CD1 4.46Å; K364-L387 HydrophobicContact CG-CD1 4.34Å; K364-T390 HydrophobicContact CB-CG2 4.16Å
365Q79.3Confident83Confident148 Ų14866.3 Ų66.369%0.69233%0.329SS*.Hα-helixtrans-74.9-41.4180-56.7-177.1-7.300110.5D363 K368 Q369D363-Q365 PolarHBondContact O-N 3.07Å; D363-Q365 WeakPolarHBondContact OD1-CA 3.33Å; D363-Q365 VanDerWaalsContact OD1-CB 3.23Å; D363-Q365 WeakPolarHBondContact OD1-CB 3.23Å; D363-Q365 PolarHBondContact OD1-N 3.07Å; Q365-K368 WeakPolarHBondContact O-CB 3.37Å; Q365-K368 PolarHBondContact O-N 3.12Å; Q365-Q369 WeakPolarHBondContact O-CG 3.38Å; Q365-Q369 PolarHBondContact O-N 3.34Å
366T82.4Confident83Confident47 Ų4766.1 Ų66.129%0.28833%0.326SS..Hα-helixtrans-59.1-49.1172-66.30000110.7L362 D363 K368 Q369 L370L362-T366 HydrophobicContact CB-CG2 4.48Å; L362-T366 HydrophobicContact CD2-CG2 4.1Å; D363-T366 PolarHBondContact O-N 3.09Å; D363-T366 PolarHBondContact OD1-N 2.82Å; D363-T366 WeakPolarHBondContact OD2-CB 3.3Å; D363-T366 PolarHBondContact OD2-OG1 3.31Å; T366-K368 VanDerWaalsContact C-N 3.28Å; T366-K368 PolarHBondContact O-N 2.76Å; T366-Q369 PolarHBondContact O-N 2.89Å; T366-L370 HydrophobicContact CG2-CD1 3.59Å; T366-L370 HydrophobicContact CG2-CG 4.28Å; T366-L370 VanDerWaalsContact O-CG 3.26Å; T366-L370 WeakPolarHBondContact O-CG 3.32Å; T366-L370 PolarHBondContact O-N 3.48Å; T366-L370 VanDerWaalsContact O-N 3.11Å
367L81.5Confident82.8Confident0 Ų066.1 Ų66.10%033%0.327CS..Hα-helixtrans-58.5-38176.8-73.4172.6000113L362 D363 Q369 L370 F372 N375 Y378 L387L362-L367 HydrophobicContact CB-CD1 4.43Å; L362-L367 HydrophobicContact CB-CD2 3.89Å; L362-L367 HydrophobicContact CB-CG 3.83Å; L362-L367 HydrophobicContact CD1-CD2 3.89Å; D363-L367 PolarHBondContact O-N 3.3Å; L367-Q369 PolarHBondContact O-N 2.85Å; L367-L370 PolarHBondContact O-N 3.4Å; L367-L370 VanDerWaalsContact O-N 3.15Å; L367-F372 HydrophobicContact CB-CD1 4.13Å; L367-F372 HydrophobicContact CB-CE1 4.05Å; L367-F372 HydrophobicContact CD2-CB 4.19Å; L367-F372 HydrophobicContact CD2-CD1 3.96Å; L367-F372 HydrophobicContact CD2-CD2 4.26Å; L367-F372 HydrophobicContact CD2-CE1 4.41Å; L367-F372 HydrophobicContact CD2-CG 3.88Å; L367-F372 WeakPolarHBondContact O-CD1 3.49Å; L367-N375 HydrophobicContact CD1-CB 4.49Å; L367-N375 HydrophobicContact CD2-CB 4.29Å; L367-Y378 VanDerWaalsContact CD1-OH 3.28Å; L367-Y378 WeakPolarHBondContact CD1-OH 3.46Å; L367-L387 HydrophobicContact CD1-CD1 4.37Å; L367-L387 HydrophobicContact CD1-CD2 4.15Å
368K80.2Confident82.8Confident132 Ų13263.9 Ų63.957%0.57432%0.318SS*.Hα-helixtrans-63.3-29.6177.5-173.9174.2-178.7170.80113.1K364 Q365 T366 L391K364-K368 WeakPolarHBondContact O-CB 3.36Å; K364-K368 PolarHBondContact O-N 3.41Å; K364-K368 VanDerWaalsContact O-N 3.09Å; Q365-K368 WeakPolarHBondContact O-CB 3.37Å; Q365-K368 PolarHBondContact O-N 3.12Å; T366-K368 VanDerWaalsContact C-N 3.28Å; T366-K368 PolarHBondContact O-N 2.76Å; K368-L391 HydrophobicContact CB-CD2 4.06Å; K368-L391 HydrophobicContact CG-CD2 4.25Å
369Q81Confident83.2Confident166 Ų16667.9 Ų67.978%0.77634%0.339SS*.Hα-helixtrans-84.8-20.8177.2-65176.58.500112.4Q365 T366 L367Q365-Q369 WeakPolarHBondContact O-CG 3.38Å; Q365-Q369 PolarHBondContact O-N 3.34Å; T366-Q369 PolarHBondContact O-N 2.89Å; L367-Q369 PolarHBondContact O-N 2.85Å
370L84.9Confident84.2Confident62 Ų6264 Ų6433%0.32532%0.323SS..THydrogen-bonded Turntrans-90.6142.9-178.5-65.4170.9000111.4L362 T366 L367 F372L362-L370 HydrophobicContact CD1-CD1 3.74Å; T366-L370 HydrophobicContact CG2-CD1 3.59Å; T366-L370 HydrophobicContact CG2-CG 4.28Å; T366-L370 VanDerWaalsContact O-CG 3.26Å; T366-L370 WeakPolarHBondContact O-CG 3.32Å; T366-L370 PolarHBondContact O-N 3.48Å; T366-L370 VanDerWaalsContact O-N 3.11Å; L367-L370 PolarHBondContact O-N 3.4Å; L367-L370 VanDerWaalsContact O-N 3.15Å; L370-F372 PolarHBondContact O-N 2.88Å
371Q88.3Confident85.7Confident133 Ų13360.8 Ų60.862%0.62131%0.311SS*.THydrogen-bonded Turntrans-7951.8167.3-67.3-176.8-9.100110.7N355N355-Q371 WeakPolarHBondContact CB-O 3.35Å; N355-Q371 PolarHBondContact ND2-O 3.05Å
372F93.4Very high87.4Confident1 Ų158.5 Ų58.50%0.00430%0.295CS..  trans-66.8149.2-17880.9-83.1000110.9F251 H253 N256 Y357 L367 L370 N375 L387 L391F251-F372 AromaticContact CD1-CE2 3.87Å; F251-F372 HydrophobicContact CD1-CE2 3.87Å; F251-F372 AromaticContact CD1-CZ 3.96Å; F251-F372 HydrophobicContact CD1-CZ 3.96Å; F251-F372 HydrophobicContact CE1-CE2 4.33Å; F251-F372 HydrophobicContact CE1-CZ 4Å; H253-F372 HydrophobicContact CB-CD2 4.41Å; H253-F372 HydrophobicContact CB-CE2 3.99Å; H253-F372 HydrophobicContact CB-CZ 4.06Å; H253-F372 WeakPolarHBondContact CB-O 3.28Å; H253-F372 AromaticContact CD2-CE1 3.78Å; H253-F372 AromaticContact CD2-CZ 3.96Å; N256-F372 WeakPolarHBondContact CB-O 3.35Å; N256-F372 PolarHBondContact ND2-O 3.04Å; Y357-F372 HydrophobicContact CD2-CB 4.02Å; Y357-F372 HydrophobicContact CE2-CB 3.59Å; L367-F372 HydrophobicContact CB-CD1 4.13Å; L367-F372 HydrophobicContact CB-CE1 4.05Å; L367-F372 HydrophobicContact CD2-CB 4.19Å; L367-F372 HydrophobicContact CD2-CD1 3.96Å; L367-F372 HydrophobicContact CD2-CD2 4.26Å; L367-F372 HydrophobicContact CD2-CE1 4.41Å; L367-F372 HydrophobicContact CD2-CG 3.88Å; L367-F372 WeakPolarHBondContact O-CD1 3.49Å; L370-F372 PolarHBondContact O-N 2.88Å; F372-N375 HydrophobicContact CD2-CB 4.35Å; F372-N375 HydrophobicContact CE2-CB 4.48Å; F372-L387 HydrophobicContact CZ-CD2 4.29Å; F372-L391 HydrophobicContact CE1-CD1 3.87Å; F372-L391 HydrophobicContact CE1-CD2 4.3Å; F372-L391 HydrophobicContact CZ-CD1 3.72Å
373I95.2Very high88.5Confident8 Ų859.3 Ų59.34%0.04130%0.298CS..SBendtrans-100.4-47.5177.8-65165000108.7L252 H253 L257 L260 L353 N355 I356L252-I373 HydrophobicContact CD1-CG2 4.46Å; L252-I373 WeakPolarHBondContact CD1-O 3.34Å; H253-I373 PolarHBondContact N-O 3.24Å; L257-I373 HydrophobicContact CD1-CG2 4.38Å; L260-I373 HydrophobicContact CB-CD1 4.44Å; L260-I373 HydrophobicContact CD1-CD1 4.17Å; L260-I373 HydrophobicContact CD2-CD1 4.01Å; L260-I373 HydrophobicContact CG-CD1 4.42Å; L353-I373 HydrophobicContact CD1-CD1 4.38Å; N355-I373 HydrophobicContact CB-CD1 3.84Å; N355-I373 HydrophobicContact CB-CG1 3.91Å; N355-I373 PolarHBondContact O-N 3.29Å; I356-I373 HydrophobicContact CD1-CG2 4.41Å; I356-I373 HydrophobicContact CG1-CB 3.98Å; I356-I373 HydrophobicContact CG1-CG2 4.19Å
374S95.1Very high89.2Confident0 Ų055.5 Ų55.50%028%0.278CS..EExtended strand (participates in β ladder)trans-147.6155.3171.7610000111.7F251 T311 I356 Y357F251-S374 CarbonylContact O-C 3.55Å; F251-S374 WeakPolarHBondContact O-CA 3.47Å; F251-S374 WeakPolarHBondContact O-CB 3.47Å; T311-S374 WeakPolarHBondContact CB-OG 3.45Å; T311-S374 WeakPolarHBondContact OG1-CB 3.39Å; T311-S374 PolarHBondContact OG1-OG 2.89Å; I356-S374 WeakPolarHBondContact CG2-OG 3.2Å; Y357-S374 PolarHBondContact N-O 2.89Å
375N93.1Very high90.1Very high4 Ų455.6 Ų55.62%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-135.9132.1174-172.843000109.1F251 Y357 L367 F372 Y378F251-N375 PolarHBondContact N-O 2.82Å; F251-N375 PolarHBondContact O-N 3.35Å; Y357-N375 VanDerWaalsContact CB-OD1 3.25Å; Y357-N375 WeakPolarHBondContact CB-OD1 3.27Å; L367-N375 HydrophobicContact CD1-CB 4.49Å; L367-N375 HydrophobicContact CD2-CB 4.29Å; F372-N375 HydrophobicContact CD2-CB 4.35Å; F372-N375 HydrophobicContact CE2-CB 4.48Å; N375-Y378 HydrophobicContact CB-CE2 3.97Å; N375-Y378 WeakPolarHBondContact ND2-CE2 3.48Å; N375-Y378 PolarHBondContact ND2-OH 2.88Å; N375-Y378 WeakPolarHBondContact O-CE2 3.44Å
376H92Very high90.8Very high30 Ų3050.6 Ų50.614%0.13926%0.261CS..EExtended strand (participates in β ladder)trans-85.6154.9177.4-162.9-92.3000110.8D247 D249 S250 Y357D247-H376 IonicContact OD2-NE2 3.66Å; D249-H376 VanDerWaalsContact CG-NE2 3.26Å; D249-H376 IonicContact OD1-CD2 3.32Å; D249-H376 PolarHBondContact OD1-CD2 2.87Å; D249-H376 IonicContact OD1-CE1 2.71Å; D249-H376 PolarHBondContact OD1-CE1 3.43Å; D249-H376 IonicContact OD1-NE2 3.06Å; D249-H376 PolarHBondContact OD1-NE2 3.21Å; D249-H376 IonicContact OD2-CE1 3.34Å; D249-H376 PolarHBondContact OD2-CE1 2.94Å; D249-H376 IonicContact OD2-ND1 3.5Å; D249-H376 IonicContact OD2-NE2 2.73Å; D249-H376 PolarHBondContact OD2-NE2 2.65Å; S250-H376 PolarHBondContact OG-CD2 3.02Å; Y357-H376 PolarHBondContact O-N 3.39Å
377G89.4Confident91.3Very high2 Ų248.4 Ų48.42%0.02125%0.247CC..  trans106.837169.700000117.8D249 H360D249-G377 PolarHBondContact O-N 3.37Å; H360-G377 VanDerWaalsContact CD2-CA 3.47Å; H360-G377 WeakPolarHBondContact CD2-CA 3.32Å; H360-G377 WeakPolarHBondContact CE1-CA 3.45Å; H360-G377 PolarHBondContact CE1-O 3.48Å; H360-G377 WeakPolarHBondContact ND1-CA 3.31Å; H360-G377 PolarHBondContact ND1-O 2.88Å; H360-G377 WeakPolarHBondContact NE2-CA 3.33Å
378Y92.2Very high92Very high10 Ų1048.9 Ų48.94%0.03925%0.249CC..  trans-109.152.7177.9-63.6-94.8000111.2Q136 D249 F251 L367 N375 D380 M383 I384 L387Q136-Y378 PolarHBondContact NE2-O 3.42Å; D249-Y378 PolarHBondContact O-N 3.22Å; F251-Y378 HydrophobicContact CB-CD1 4.44Å; F251-Y378 HydrophobicContact CB-CD2 3.58Å; F251-Y378 HydrophobicContact CB-CE1 4.38Å; F251-Y378 HydrophobicContact CB-CE2 3.49Å; F251-Y378 VanDerWaalsContact CB-CE2 3.49Å; F251-Y378 HydrophobicContact CB-CG 4.09Å; L367-Y378 VanDerWaalsContact CD1-OH 3.28Å; L367-Y378 WeakPolarHBondContact CD1-OH 3.46Å; N375-Y378 HydrophobicContact CB-CE2 3.97Å; N375-Y378 WeakPolarHBondContact ND2-CE2 3.48Å; N375-Y378 PolarHBondContact ND2-OH 2.88Å; N375-Y378 WeakPolarHBondContact O-CE2 3.44Å; Y378-D380 PolarHBondContact O-N 2.92Å; Y378-D380 VanDerWaalsContact O-N 3.14Å; Y378-M383 HydrophobicContact CD1-CB 3.82Å; Y378-M383 HydrophobicContact CD1-CE 4.49Å; Y378-I384 HydrophobicContact CD1-CG1 4.33Å; Y378-I384 HydrophobicContact CG-CG1 4.21Å; Y378-L387 HydrophobicContact CE1-CB 4.06Å; Y378-L387 HydrophobicContact CE1-CD2 3.7Å; Y378-L387 HydrophobicContact CE2-CD2 4.47Å; Y378-L387 WeakPolarHBondContact OH-CD2 3.27Å
379N91.9Very high92.6Very high106 Ų10646.8 Ų46.857%0.56725%0.251SS*.  trans-60.3-21.7-179.7-69.1-51.2000114.1Q136 D249 H360Q136-N379 PolarHBondContact OE1-O 2.97Å; D249-N379 VanDerWaalsContact CB-OD1 3.25Å; D249-N379 WeakPolarHBondContact CB-OD1 3.38Å; D249-N379 PolarHBondContact OD2-OD1 3.18Å; H360-N379 PolarHBondContact NE2-ND2 3.48Å
380D94.6Very high93.2Very high77 Ų7741.2 Ų41.241%0.41223%0.229SC..SBendtrans-100121.7173.9178.3-2000109.8Y378 S382 M383Y378-D380 PolarHBondContact O-N 2.92Å; Y378-D380 VanDerWaalsContact O-N 3.14Å; D380-S382 PolarHBondContact O-N 3.01Å; D380-S382 VanDerWaalsContact OD1-CB 3.3Å; D380-S382 WeakPolarHBondContact OD1-CB 3.5Å; D380-S382 PolarHBondContact OD1-N 3.38Å; D380-S382 PolarHBondContact OD1-OG 3.4Å; D380-S382 PolarHBondContact OD2-OG 2.84Å; D380-M383 HydrophobicContact CB-CG 4.06Å; D380-M383 HydrophobicContact CB-SD 4.21Å; D380-M383 WeakPolarHBondContact O-CB 3.48Å; D380-M383 PolarHBondContact O-N 3.44Å
381P96.5Very high93.6Very high30 Ų3039.5 Ų39.520%0.19522%0.22CC..Hα-helixtrans-50.2-33.5174.6-25.230.8000113.6N135 Q136 A139 M383 I384 H385N135-P381 HydrophobicContact CB-CG 3.84Å; Q136-P381 VanDerWaalsContact OE1-CG 3.24Å; A139-P381 HydrophobicContact CB-CB 3.75Å; P381-M383 VanDerWaalsContact C-N 3.27Å; P381-M383 PolarHBondContact O-N 3.19Å; P381-I384 WeakPolarHBondContact O-CB 3.24Å; P381-I384 PolarHBondContact O-N 2.92Å; P381-H385 PolarHBondContact O-CD2 3.41Å; P381-H385 VanDerWaalsContact O-CD2 3.29Å; P381-H385 PolarHBondContact O-N 3.05Å
382S96.1Very high93.9Very high64 Ų6437.6 Ų37.645%0.44821%0.213SC..Hα-helixtrans-63.3-34.1179.388.10000112.2D380 H385 S386D380-S382 PolarHBondContact O-N 3.01Å; D380-S382 VanDerWaalsContact OD1-CB 3.3Å; D380-S382 WeakPolarHBondContact OD1-CB 3.5Å; D380-S382 PolarHBondContact OD1-N 3.38Å; D380-S382 PolarHBondContact OD1-OG 3.4Å; D380-S382 PolarHBondContact OD2-OG 2.84Å; S382-H385 PolarHBondContact O-N 3.36Å; S382-S386 VanDerWaalsContact O-CB 3.27Å; S382-S386 WeakPolarHBondContact O-CB 3.42Å; S382-S386 PolarHBondContact O-N 3.32Å
383M93.7Very high93.9Very high72 Ų7237.6 Ų37.636%0.35521%0.213SC..Hα-helixtrans-68.7-37.3178-68-179.759.500111.4Y378 D380 P381 S386 L387Y378-M383 HydrophobicContact CD1-CB 3.82Å; Y378-M383 HydrophobicContact CD1-CE 4.49Å; D380-M383 HydrophobicContact CB-CG 4.06Å; D380-M383 HydrophobicContact CB-SD 4.21Å; D380-M383 WeakPolarHBondContact O-CB 3.48Å; D380-M383 PolarHBondContact O-N 3.44Å; P381-M383 VanDerWaalsContact C-N 3.27Å; P381-M383 PolarHBondContact O-N 3.19Å; M383-S386 PolarHBondContact O-N 3.45Å; M383-L387 PolarHBondContact O-N 3.5Å
384I95.2Very high93.9Very high0 Ų040.6 Ų40.60%023%0.23CC..Hα-helixtrans-60.4-52.8174.1-62.7-174.1000109.9I140 T143 F251 Y378 P381 S386 L387 W388I140-I384 HydrophobicContact CG1-CD1 4.01Å; T143-I384 HydrophobicContact CG2-CG2 4.1Å; T143-I384 WeakPolarHBondContact OG1-CG2 3.49Å; F251-I384 HydrophobicContact CD2-CG2 4.01Å; F251-I384 HydrophobicContact CE2-CG2 4.18Å; Y378-I384 HydrophobicContact CD1-CG1 4.33Å; Y378-I384 HydrophobicContact CG-CG1 4.21Å; P381-I384 WeakPolarHBondContact O-CB 3.24Å; P381-I384 PolarHBondContact O-N 2.92Å; I384-S386 VanDerWaalsContact C-N 3.29Å; I384-S386 PolarHBondContact O-N 2.94Å; I384-L387 PolarHBondContact O-N 3.47Å; I384-W388 WeakPolarHBondContact O-CB 3.3Å; I384-W388 PolarHBondContact O-N 2.96Å
385H96Very high93.9Very high75 Ų7549.3 Ų49.335%0.34726%0.264SS..Hα-helixtrans-59.6-40.8177.8-76.3-68.3000112.3A139 T143 P381 S382 W388 S389A139-H385 WeakPolarHBondContact CB-NE2 3.44Å; T143-H385 WeakPolarHBondContact CG2-ND1 3.23Å; P381-H385 PolarHBondContact O-CD2 3.41Å; P381-H385 VanDerWaalsContact O-CD2 3.29Å; P381-H385 PolarHBondContact O-N 3.05Å; S382-H385 PolarHBondContact O-N 3.36Å; H385-W388 PolarHBondContact O-N 2.96Å; H385-S389 WeakPolarHBondContact O-CB 3.41Å; H385-S389 PolarHBondContact O-N 3.42Å
386S94Very high93.9Very high44 Ų4450.8 Ų50.831%0.30828%0.276SS..Hα-helixtrans-65.3-42.5179.6-171.80000112.3K364 S382 M383 I384 T390K364-S386 PolarHBondContact NZ-OG 3.49Å; S382-S386 VanDerWaalsContact O-CB 3.27Å; S382-S386 WeakPolarHBondContact O-CB 3.42Å; S382-S386 PolarHBondContact O-N 3.32Å; M383-S386 PolarHBondContact O-N 3.45Å; I384-S386 VanDerWaalsContact C-N 3.29Å; I384-S386 PolarHBondContact O-N 2.94Å; S386-T390 WeakPolarHBondContact O-CB 3.49Å; S386-T390 PolarHBondContact O-N 3.03Å; S386-T390 PolarHBondContact O-OG1 3.41Å
387L93.5Very high94Very high0 Ų049.3 Ų49.30%027%0.27CS..Hα-helixtrans-67.3-44.2175.3179.559.9000111.2F251 K364 L367 F372 Y378 M383 I384 S389 T390 L391F251-L387 HydrophobicContact CB-CD2 4.11Å; F251-L387 HydrophobicContact CD1-CD2 3.56Å; F251-L387 HydrophobicContact CD1-CG 4.35Å; F251-L387 HydrophobicContact CD2-CB 4.15Å; F251-L387 HydrophobicContact CD2-CD2 3.69Å; F251-L387 HydrophobicContact CD2-CG 4.15Å; F251-L387 HydrophobicContact CE1-CD2 3.8Å; F251-L387 HydrophobicContact CE1-CG 4.11Å; F251-L387 HydrophobicContact CE2-CB 3.91Å; F251-L387 HydrophobicContact CE2-CD2 3.93Å; F251-L387 HydrophobicContact CE2-CG 3.9Å; F251-L387 HydrophobicContact CG-CD2 3.5Å; F251-L387 VanDerWaalsContact CG-CD2 3.5Å; F251-L387 HydrophobicContact CG-CG 4.37Å; F251-L387 HydrophobicContact CZ-CB 4.34Å; F251-L387 HydrophobicContact CZ-CD2 3.98Å; F251-L387 HydrophobicContact CZ-CG 3.87Å; K364-L387 HydrophobicContact CB-CD1 4.46Å; K364-L387 HydrophobicContact CG-CD1 4.34Å; L367-L387 HydrophobicContact CD1-CD1 4.37Å; L367-L387 HydrophobicContact CD1-CD2 4.15Å; F372-L387 HydrophobicContact CZ-CD2 4.29Å; Y378-L387 HydrophobicContact CE1-CB 4.06Å; Y378-L387 HydrophobicContact CE1-CD2 3.7Å; Y378-L387 HydrophobicContact CE2-CD2 4.47Å; Y378-L387 WeakPolarHBondContact OH-CD2 3.27Å; M383-L387 PolarHBondContact O-N 3.5Å; I384-L387 PolarHBondContact O-N 3.47Å; L387-S389 VanDerWaalsContact C-N 3.27Å; L387-S389 PolarHBondContact O-N 2.96Å; L387-T390 PolarHBondContact O-N 2.99Å; L387-T390 VanDerWaalsContact O-N 3.11Å; L387-L391 HydrophobicContact CD1-CD1 3.81Å; L387-L391 HydrophobicContact CD1-CD2 4.39Å; L387-L391 HydrophobicContact CD1-CG 3.82Å; L387-L391 HydrophobicContact CD2-CD1 4.41Å; L387-L391 HydrophobicContact CG-CD1 3.83Å; L387-L391 HydrophobicContact CG-CG 4.27Å; L387-L391 WeakPolarHBondContact O-CG 3.35Å; L387-L391 PolarHBondContact O-N 3.34Å
388W94.8Very high94.1Very high11 Ų1155.4 Ų55.44%0.04230%0.296CS..Hα-helixtrans-53.3-45.1175.9-177.7-96.5000112.3T143 W144 F251 P254 I384 H385 N392 M393 N394 C397 I399T143-W388 VanDerWaalsContact C-CZ3 3.41Å; T143-W388 HydrophobicContact CG2-CB 3.84Å; T143-W388 HydrophobicContact CG2-CD2 4.13Å; T143-W388 HydrophobicContact CG2-CG 3.75Å; T143-W388 WeakPolarHBondContact O-CH2 3.31Å; T143-W388 WeakPolarHBondContact O-CZ3 3.28Å; W144-W388 VanDerWaalsContact CA-CZ3 3.45Å; W144-W388 HydrophobicContact CB-CE3 4.28Å; W144-W388 HydrophobicContact CB-CZ3 4.01Å; F251-W388 HydrophobicContact CE2-CB 4.17Å; F251-W388 HydrophobicContact CE2-CE3 4.5Å; F251-W388 HydrophobicContact CZ-CB 4.35Å; F251-W388 HydrophobicContact CZ-CE3 4.03Å; P254-W388 HydrophobicContact CG-CH2 4.41Å; P254-W388 HydrophobicContact CG-CZ3 4.07Å; I384-W388 WeakPolarHBondContact O-CB 3.3Å; I384-W388 PolarHBondContact O-N 2.96Å; H385-W388 PolarHBondContact O-N 2.96Å; W388-N392 PolarHBondContact O-N 3.48Å; W388-M393 HydrophobicContact CD2-CB 3.33Å; W388-M393 HydrophobicContact CD2-CG 3.86Å; W388-M393 HydrophobicContact CE3-CB 3.48Å; W388-M393 VanDerWaalsContact CE3-CB 3.48Å; W388-M393 HydrophobicContact CE3-CG 3.58Å; W388-M393 HydrophobicContact CG-CB 3.97Å; W388-M393 HydrophobicContact CG-CG 4.44Å; W388-M393 HydrophobicContact CH2-CB 3.68Å; W388-M393 HydrophobicContact CH2-CE 4.19Å; W388-M393 HydrophobicContact CH2-CG 4.35Å; W388-M393 HydrophobicContact CZ2-CB 3.53Å; W388-M393 HydrophobicContact CZ3-CB 3.62Å; W388-M393 HydrophobicContact CZ3-CE 3.99Å; W388-M393 HydrophobicContact CZ3-CG 3.82Å; W388-M393 WeakPolarHBondContact O-CB 3.26Å; W388-M393 PolarHBondContact O-N 3.29Å; W388-M393 VanDerWaalsContact O-N 3.09Å; W388-N394 PolarHBondContact NE1-OD1 3.12Å; W388-C397 WeakPolarHBondContact CH2-SG 3.26Å; W388-I399 HydrophobicContact CZ2-CD1 3.95Å
389S94.4Very high93.9Very high88 Ų8856.3 Ų56.362%0.61530%0.301SS*.Hα-helixtrans-67.9-44.1175.9-174.50000112.3H385 L387 L391 N392H385-S389 WeakPolarHBondContact O-CB 3.41Å; H385-S389 PolarHBondContact O-N 3.42Å; L387-S389 VanDerWaalsContact C-N 3.27Å; L387-S389 PolarHBondContact O-N 2.96Å; S389-L391 VanDerWaalsContact C-N 3.26Å; S389-L391 PolarHBondContact O-N 2.9Å; S389-N392 WeakPolarHBondContact O-CA 3.3Å; S389-N392 PolarHBondContact O-N 3.29Å
390T93.1Very high93.2Very high49 Ų4958 Ų5830%0.30131%0.31SS..Hα-helixtrans-60.5-35.9-179.6-59.60000112.6K364 S386 L387 N392K364-T390 HydrophobicContact CB-CG2 4.16Å; S386-T390 WeakPolarHBondContact O-CB 3.49Å; S386-T390 PolarHBondContact O-N 3.03Å; S386-T390 PolarHBondContact O-OG1 3.41Å; L387-T390 PolarHBondContact O-N 2.99Å; L387-T390 VanDerWaalsContact O-N 3.11Å; T390-N392 VanDerWaalsContact C-N 3.25Å; T390-N392 PolarHBondContact O-N 3.04Å
391L93.2Very high91.5Very high26 Ų2667 Ų6714%0.13635%0.345CS..THydrogen-bonded Turntrans-80.8-2.5176-66.3175.6000113.2F251 K368 F372 L387 S389 M393F251-L391 HydrophobicContact CE1-CD1 3.89Å; F251-L391 HydrophobicContact CZ-CD1 4.1Å; K368-L391 HydrophobicContact CB-CD2 4.06Å; K368-L391 HydrophobicContact CG-CD2 4.25Å; F372-L391 HydrophobicContact CE1-CD1 3.87Å; F372-L391 HydrophobicContact CE1-CD2 4.3Å; F372-L391 HydrophobicContact CZ-CD1 3.72Å; L387-L391 HydrophobicContact CD1-CD1 3.81Å; L387-L391 HydrophobicContact CD1-CD2 4.39Å; L387-L391 HydrophobicContact CD1-CG 3.82Å; L387-L391 HydrophobicContact CD2-CD1 4.41Å; L387-L391 HydrophobicContact CG-CD1 3.83Å; L387-L391 HydrophobicContact CG-CG 4.27Å; L387-L391 WeakPolarHBondContact O-CG 3.35Å; L387-L391 PolarHBondContact O-N 3.34Å; S389-L391 VanDerWaalsContact C-N 3.26Å; S389-L391 PolarHBondContact O-N 2.9Å; L391-M393 HydrophobicContact CB-CG 3.71Å; L391-M393 HydrophobicContact CB-SD 3.99Å; L391-M393 HydrophobicContact CD1-CG 4.43Å; L391-M393 HydrophobicContact CD1-SD 4.49Å; L391-M393 PolarHBondContact O-N 3.49Å
392N94Very high91.3Very high92 Ų9268.8 Ų68.849%0.49235%0.353SS..THydrogen-bonded Turntrans52.241.8-175.4-16523.4000112.5W388 S389 T390 N394 Y395 A396W388-N392 PolarHBondContact O-N 3.48Å; S389-N392 WeakPolarHBondContact O-CA 3.3Å; S389-N392 PolarHBondContact O-N 3.29Å; T390-N392 VanDerWaalsContact C-N 3.25Å; T390-N392 PolarHBondContact O-N 3.04Å; N392-N394 VanDerWaalsContact C-N 3.29Å; N392-N394 PolarHBondContact O-N 3.42Å; N392-Y395 WeakPolarHBondContact ND2-CB 3.43Å; N392-Y395 PolarHBondContact O-N 3.34Å; N392-Y395 VanDerWaalsContact O-N 3.17Å; N392-A396 PolarHBondContact O-N 3.5Å
393M95Very high91Very high1 Ų169.1 Ų69.11%0.00535%0.348CS..Hα-helixtrans-66.1-28.5-170.5-73.3-57.7-52.100113.3P254 I255 W388 L391 Y395 A396 C397P254-M393 HydrophobicContact CG-CE 4.18Å; I255-M393 HydrophobicContact CD1-CE 4.28Å; I255-M393 HydrophobicContact CG1-CE 4.42Å; W388-M393 HydrophobicContact CD2-CB 3.33Å; W388-M393 HydrophobicContact CD2-CG 3.86Å; W388-M393 HydrophobicContact CE3-CB 3.48Å; W388-M393 VanDerWaalsContact CE3-CB 3.48Å; W388-M393 HydrophobicContact CE3-CG 3.58Å; W388-M393 HydrophobicContact CG-CB 3.97Å; W388-M393 HydrophobicContact CG-CG 4.44Å; W388-M393 HydrophobicContact CH2-CB 3.68Å; W388-M393 HydrophobicContact CH2-CE 4.19Å; W388-M393 HydrophobicContact CH2-CG 4.35Å; W388-M393 HydrophobicContact CZ2-CB 3.53Å; W388-M393 HydrophobicContact CZ3-CB 3.62Å; W388-M393 HydrophobicContact CZ3-CE 3.99Å; W388-M393 HydrophobicContact CZ3-CG 3.82Å; W388-M393 WeakPolarHBondContact O-CB 3.26Å; W388-M393 PolarHBondContact O-N 3.29Å; W388-M393 VanDerWaalsContact O-N 3.09Å; L391-M393 HydrophobicContact CB-CG 3.71Å; L391-M393 HydrophobicContact CB-SD 3.99Å; L391-M393 HydrophobicContact CD1-CG 4.43Å; L391-M393 HydrophobicContact CD1-SD 4.49Å; L391-M393 PolarHBondContact O-N 3.49Å; M393-Y395 VanDerWaalsContact C-N 3.3Å; M393-Y395 PolarHBondContact O-N 3.33Å; M393-A396 HydrophobicContact CE-CB 4.47Å; M393-A396 PolarHBondContact O-N 3.39Å; M393-A396 HydrophobicContact SD-CB 4.43Å; M393-C397 WeakPolarHBondContact CE-SG 3.22Å; M393-C397 WeakPolarHBondContact O-CA 3.3Å; M393-C397 WeakPolarHBondContact O-CB 3.33Å; M393-C397 PolarHBondContact O-N 2.9Å; M393-C397 PolarHBondContact O-SG 3.49Å
394N94.2Very high90.9Very high72 Ų7268.9 Ų68.939%0.38535%0.347SS..Hα-helixtrans-57.7-44.9174.2-72-14.7000111.6W388 N392 K398 I399W388-N394 PolarHBondContact NE1-OD1 3.12Å; N392-N394 VanDerWaalsContact C-N 3.29Å; N392-N394 PolarHBondContact O-N 3.42Å; N394-K398 PolarHBondContact O-N 2.93Å; N394-I399 PolarHBondContact O-N 3.14Å; N394-I399 VanDerWaalsContact O-N 3.08Å
395Y94.3Very high90.6Very high183 Ų18372.9 Ų72.972%0.71837%0.368SS*.Hα-helixtrans-68.1-47.8175.5179.2-98.5000111.2N392 M393 C397 K398N392-Y395 WeakPolarHBondContact ND2-CB 3.43Å; N392-Y395 PolarHBondContact O-N 3.34Å; N392-Y395 VanDerWaalsContact O-N 3.17Å; M393-Y395 VanDerWaalsContact C-N 3.3Å; M393-Y395 PolarHBondContact O-N 3.33Å; Y395-C397 VanDerWaalsContact C-N 3.29Å; Y395-C397 PolarHBondContact O-N 2.99Å; Y395-K398 PolarHBondContact O-N 3.04Å
396A93.9Very high90.3Very high34 Ų3472.8 Ų72.828%0.28137%0.369SS..Hα-helixtrans-61.9-37.5-178.700000112.5F153 I255 N392 M393 K398F153-A396 VanDerWaalsContact CZ-O 3.31Å; F153-A396 WeakPolarHBondContact CZ-O 3.39Å; I255-A396 HydrophobicContact CD1-CB 3.59Å; N392-A396 PolarHBondContact O-N 3.5Å; M393-A396 HydrophobicContact CE-CB 4.47Å; M393-A396 PolarHBondContact O-N 3.39Å; M393-A396 HydrophobicContact SD-CB 4.43Å; A396-K398 VanDerWaalsContact C-N 3.31Å
397C94.1Very high90Very high0 Ų074.7 Ų74.70%037%0.373CS..THydrogen-bonded Turntrans-80.4-5.1176.9-71.20000114.2C149 N152 W388 M393 Y395 I399C149-C397 HydrophobicContact CB-CB 3.5Å; C149-C397 VanDerWaalsContact CB-CB 3.5Å; C149-C397 WeakPolarHBondContact CB-SG 3.39Å; C149-C397 WeakPolarHBondContact SG-CB 3.46Å; C149-C397 CovalentContact SG-SG 2.03Å; C149-C397 PolarHBondContact SG-SG 3.41Å; N152-C397 PolarHBondContact ND2-O 3.26Å; W388-C397 WeakPolarHBondContact CH2-SG 3.26Å; M393-C397 WeakPolarHBondContact CE-SG 3.22Å; M393-C397 WeakPolarHBondContact O-CA 3.3Å; M393-C397 WeakPolarHBondContact O-CB 3.33Å; M393-C397 PolarHBondContact O-N 2.9Å; M393-C397 PolarHBondContact O-SG 3.49Å; Y395-C397 VanDerWaalsContact C-N 3.29Å; Y395-C397 PolarHBondContact O-N 2.99Å; C397-I399 HydrophobicContact CB-CD1 3.72Å; C397-I399 HydrophobicContact CB-CG1 3.71Å; C397-I399 PolarHBondContact O-N 3.1Å
398K92.6Very high89.8Confident130 Ų13080.1 Ų80.157%0.56540%0.4SS*.THydrogen-bonded Turntrans54.134.7-175.2-51.9176.8-179.5178.80113.3N152 N394 Y395 A396 N400N152-K398 HydrophobicContact CB-CB 4.46Å; N152-K398 PolarHBondContact ND2-O 3.45Å; N394-K398 PolarHBondContact O-N 2.93Å; Y395-K398 PolarHBondContact O-N 3.04Å; A396-K398 VanDerWaalsContact C-N 3.31Å; K398-N400 PolarHBondContact O-N 3.21Å
399I88.1Confident89.4Confident29 Ų2985.4 Ų85.415%0.14943%0.427CS..  trans-74.8117.9177.6-63.8166.7000106.8C149 W388 N394 C397 K401C149-I399 HydrophobicContact CB-CD1 4.37Å; W388-I399 HydrophobicContact CZ2-CD1 3.95Å; N394-I399 PolarHBondContact O-N 3.14Å; N394-I399 VanDerWaalsContact O-N 3.08Å; C397-I399 HydrophobicContact CB-CD1 3.72Å; C397-I399 HydrophobicContact CB-CG1 3.71Å; C397-I399 PolarHBondContact O-N 3.1Å; I399-K401 PolarHBondContact O-N 3.33Å
400N76.3Confident89Confident140 Ų14085.2 Ų85.275%0.74941%0.411SS*.  trans-66.4132.6176.7-71.2-29.8000108.6K398K398-N400 PolarHBondContact O-N 3.21Å
401K59.1Low88.6Confident266 Ų26688.5 Ų88.5100%1.15742%0.421SS*.  trans-71.20175.2-82.1-172.1177.1-178.60111.8I399I399-K401 PolarHBondContact O-N 3.33Å

Retrieved 401 of 401 residues in 308.5 ms (Link to these results)

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