A0A087X6D7_POEFO Loading...

Beta-1,4-glucuronyltransferase 1

AlphaFold DB , UniProt , Accession A0A087X6D7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 431 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
1M40Very low60.2Low232 Ų232150.4 Ų150.4100%1.14376%0.763SS**  091.90-81160.468.300109.1
2H44.3Very low62.1Low197 Ų197144.8 Ų144.891%0.91274%0.742SS**  trans-111.6101.3172-105.8-66.5000108.1S4H2-S4 PolarHBondContact O-N 3.42Å; H2-S4 VanDerWaalsContact O-N 3.1Å
3L45.3Very low63.8Low160 Ų160139.6 Ų139.684%0.83872%0.721SS**  trans-73.196.5169.4-91.2117.5000108.7K5L3-K5 PolarHBondContact O-N 3.31Å; L3-K5 VanDerWaalsContact O-N 3.1Å
4S48.2Very low65.6Low106 Ų106135.7 Ų135.774%0.74170%0.701SS**  trans-72.597.5168.3-174.30000109H2 K6H2-S4 PolarHBondContact O-N 3.42Å; H2-S4 VanDerWaalsContact O-N 3.1Å; S4-K6 PolarHBondContact O-N 3.36Å
5K57.8Low67Low194 Ų194130.9 Ų130.984%0.84368%0.684SS**  trans-66.895.8166.8-79.5-177.2177.6177.60107.8L3 C7L3-K5 PolarHBondContact O-N 3.31Å; L3-K5 VanDerWaalsContact O-N 3.1Å; K5-C7 VanDerWaalsContact C-N 3.27Å; K5-C7 PolarHBondContact O-N 2.78Å
6K60.2Low68.3Low196 Ų196125.8 Ų125.885%0.85267%0.666SS**  trans-65.991.2165.5-74.9-174.1177.1-179.30108.3S4 S8S4-K6 PolarHBondContact O-N 3.36Å; K6-S8 PolarHBondContact O-N 3.07Å
7C58.9Low69.6Low102 Ų102124.8 Ų124.869%0.68966%0.661SS**  trans-66.7102.5169.5-143.40000107K5 V9K5-C7 VanDerWaalsContact C-N 3.27Å; K5-C7 PolarHBondContact O-N 2.78Å; C7-V9 PolarHBondContact O-N 3.49Å; C7-V9 VanDerWaalsContact O-N 3.09Å
8S74.8Confident70.9Confident57 Ų57124.2 Ų124.240%0.39966%0.657SS.*  trans-66.8109.7177.8176.50000107.9K6 F10 K11 V12K6-S8 PolarHBondContact O-N 3.07Å; S8-F10 PolarHBondContact O-N 3.1Å; S8-K11 WeakPolarHBondContact O-CB 3.48Å; S8-K11 PolarHBondContact O-N 3.43Å; S8-V12 PolarHBondContact O-N 3.28Å
9V75.3Confident72Confident112 Ų112122.9 Ų122.968%0.67965%0.65SS**Hα-helixtrans-48.5-35.2176.8176.10000111C7 K11 V12 V13C7-V9 PolarHBondContact O-N 3.49Å; C7-V9 VanDerWaalsContact O-N 3.09Å; V9-K11 PolarHBondContact O-N 3.32Å; V9-V12 PolarHBondContact O-N 2.89Å; V9-V13 HydrophobicContact CG1-CG2 4.33Å; V9-V13 WeakPolarHBondContact O-CG2 3.41Å; V9-V13 PolarHBondContact O-N 3.35Å
10F77.8Confident73Confident150 Ų150120.5 Ų120.566%0.65864%0.64SS**Hα-helixtrans-59.2-43.4174-175.4-97.8000113.6S8 V12 V13 L14S8-F10 PolarHBondContact O-N 3.1Å; F10-V12 VanDerWaalsContact C-N 3.32Å; F10-V12 PolarHBondContact O-N 2.9Å; F10-V13 PolarHBondContact O-N 2.66Å; F10-L14 HydrophobicContact CE1-CD2 4.47Å; F10-L14 VanDerWaalsContact O-CB 3.32Å; F10-L14 WeakPolarHBondContact O-CB 3.22Å; F10-L14 PolarHBondContact O-N 3.47Å
11K79.4Confident73.7Confident148 Ų148116.7 Ų116.764%0.64363%0.626SS**Hα-helixtrans-66.4-35176.6-72.4-172.4176.1-176.10112S8 V9 S15S8-K11 WeakPolarHBondContact O-CB 3.48Å; S8-K11 PolarHBondContact O-N 3.43Å; V9-K11 PolarHBondContact O-N 3.32Å; K11-S15 VanDerWaalsContact O-CB 3.31Å; K11-S15 WeakPolarHBondContact O-CB 3.49Å; K11-S15 PolarHBondContact O-N 3.39Å; K11-S15 PolarHBondContact O-OG 3.25Å
12V83.7Confident76.2Confident83 Ų83110.7 Ų110.750%0.50360%0.598SS.*Hα-helixtrans-68.2-45.4176.51790000110.5S8 V9 F10 S15 A16S8-V12 PolarHBondContact O-N 3.28Å; V9-V12 PolarHBondContact O-N 2.89Å; F10-V12 VanDerWaalsContact C-N 3.32Å; F10-V12 PolarHBondContact O-N 2.9Å; V12-S15 PolarHBondContact O-N 3.44Å; V12-A16 WeakPolarHBondContact O-CB 3.36Å; V12-A16 PolarHBondContact O-N 3.43Å
13V83.9Confident78.4Confident78 Ų78106.3 Ų106.347%0.47358%0.58SS.*Hα-helixtrans-63.3-44.7176.91730000111.4V9 F10 S15 A16 L17V9-V13 HydrophobicContact CG1-CG2 4.33Å; V9-V13 WeakPolarHBondContact O-CG2 3.41Å; V9-V13 PolarHBondContact O-N 3.35Å; F10-V13 PolarHBondContact O-N 2.66Å; V13-S15 VanDerWaalsContact C-N 3.34Å; V13-S15 PolarHBondContact O-N 3.15Å; V13-A16 PolarHBondContact O-N 2.64Å; V13-L17 HydrophobicContact CG1-CD1 4.14Å; V13-L17 WeakPolarHBondContact O-CG 3.25Å; V13-L17 PolarHBondContact O-N 3.05Å
14L88.5Confident80.3Confident85 Ų85104.4 Ų104.445%0.44557%0.567SS.*Hα-helixtrans-62.9-40.9177.2-172.668.6000111.8F10 L17 L18F10-L14 HydrophobicContact CE1-CD2 4.47Å; F10-L14 VanDerWaalsContact O-CB 3.32Å; F10-L14 WeakPolarHBondContact O-CB 3.22Å; F10-L14 PolarHBondContact O-N 3.47Å; L14-L17 PolarHBondContact O-N 2.69Å; L14-L18 HydrophobicContact CG-CD1 4.37Å; L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 WeakPolarHBondContact O-CG 3.45Å; L14-L18 PolarHBondContact O-N 3.46Å
15S87.8Confident82.1Confident63 Ų63104.9 Ų104.944%0.44156%0.561SS.*Hα-helixtrans-65.3-41.5176.3-560000111.4K11 V12 V13 L18 I19K11-S15 VanDerWaalsContact O-CB 3.31Å; K11-S15 WeakPolarHBondContact O-CB 3.49Å; K11-S15 PolarHBondContact O-N 3.39Å; K11-S15 PolarHBondContact O-OG 3.25Å; V12-S15 PolarHBondContact O-N 3.44Å; V13-S15 VanDerWaalsContact C-N 3.34Å; V13-S15 PolarHBondContact O-N 3.15Å; S15-L18 PolarHBondContact O-N 2.95Å; S15-I19 WeakPolarHBondContact O-CD1 3.4Å; S15-I19 VanDerWaalsContact O-CG1 3.23Å; S15-I19 WeakPolarHBondContact O-CG1 3.42Å; S15-I19 PolarHBondContact O-N 3.47Å
16A86.9Confident83.3Confident49 Ų4999.4 Ų99.441%0.40554%0.54SS..Hα-helixtrans-63.6-42.617600000112.1V12 V13 I19 V20V12-A16 WeakPolarHBondContact O-CB 3.36Å; V12-A16 PolarHBondContact O-N 3.43Å; V13-A16 PolarHBondContact O-N 2.64Å; A16-I19 PolarHBondContact O-N 3.1Å; A16-V20 WeakPolarHBondContact O-CG2 3.4Å; A16-V20 PolarHBondContact O-N 3.38Å
17L90.4Very high84.2Confident109 Ų10997.4 Ų97.457%0.57153%0.528SS*.Hα-helixtrans-63.3-41.7175.7-74.4170.9000112.2V13 L14 I19 V20 A21V13-L17 HydrophobicContact CG1-CD1 4.14Å; V13-L17 WeakPolarHBondContact O-CG 3.25Å; V13-L17 PolarHBondContact O-N 3.05Å; L14-L17 PolarHBondContact O-N 2.69Å; L17-I19 VanDerWaalsContact C-N 3.34Å; L17-V20 PolarHBondContact O-N 3.04Å; L17-A21 WeakPolarHBondContact O-CB 3.15Å; L17-A21 PolarHBondContact O-N 3.38Å
18L92.4Very high84.9Confident114 Ų11497.6 Ų97.660%0.59752%0.521SS*.Hα-helixtrans-63.4-39.6174.8-79.3165.6000112L14 S15 A21 L22L14-L18 HydrophobicContact CG-CD1 4.37Å; L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 WeakPolarHBondContact O-CG 3.45Å; L14-L18 PolarHBondContact O-N 3.46Å; S15-L18 PolarHBondContact O-N 2.95Å; L18-A21 PolarHBondContact O-N 2.92Å; L18-L22 WeakPolarHBondContact O-CB 3.31Å; L18-L22 PolarHBondContact O-N 2.61Å
19I92.9Very high85Confident100 Ų10098.3 Ų98.351%0.51353%0.526SS..Hα-helixtrans-64.6-43.9175.3-70.2164.2000110.7S15 A16 L17 L22 L23S15-I19 WeakPolarHBondContact O-CD1 3.4Å; S15-I19 VanDerWaalsContact O-CG1 3.23Å; S15-I19 WeakPolarHBondContact O-CG1 3.42Å; S15-I19 PolarHBondContact O-N 3.47Å; A16-I19 PolarHBondContact O-N 3.1Å; L17-I19 VanDerWaalsContact C-N 3.34Å; I19-L22 PolarHBondContact O-N 3.1Å; I19-L23 HydrophobicContact CG2-CD1 3.83Å; I19-L23 HydrophobicContact CG2-CG 4.33Å; I19-L23 WeakPolarHBondContact O-CB 3.44Å; I19-L23 VanDerWaalsContact O-CG 3.28Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 3.39Å
20V91.3Very high84.7Confident75 Ų7599.5 Ų99.546%0.45552%0.523SS..Hα-helixtrans-62.1-45.1176.5171.60000111A16 L17 L22 L23 Q24A16-V20 WeakPolarHBondContact O-CG2 3.4Å; A16-V20 PolarHBondContact O-N 3.38Å; L17-V20 PolarHBondContact O-N 3.04Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.06Å; V20-L23 PolarHBondContact O-N 2.93Å; V20-Q24 WeakPolarHBondContact O-CB 3.36Å; V20-Q24 WeakPolarHBondContact O-CG 3.48Å; V20-Q24 PolarHBondContact O-N 3.19Å
21A87.9Confident84Confident41 Ų4195.4 Ų95.434%0.33951%0.508SS..Hα-helixtrans-61.7-41.3176.300000112L17 L18 Q24 L25L17-A21 WeakPolarHBondContact O-CB 3.15Å; L17-A21 PolarHBondContact O-N 3.38Å; L18-A21 PolarHBondContact O-N 2.92Å; A21-Q24 PolarHBondContact O-N 2.99Å; A21-L25 WeakPolarHBondContact O-CG 3.43Å; A21-L25 PolarHBondContact O-N 3.34Å
22L93.3Very high83.2Confident106 Ų10692.5 Ų92.556%0.55551%0.506SS*.Hα-helixtrans-64.4-44.3176-165.385.1000111.5L18 I19 V20 Q24 L25 I26L18-L22 WeakPolarHBondContact O-CB 3.31Å; L18-L22 PolarHBondContact O-N 2.61Å; I19-L22 PolarHBondContact O-N 3.1Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.06Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; L22-Q24 PolarHBondContact O-N 3.17Å; L22-L25 PolarHBondContact O-N 3.25Å; L22-I26 HydrophobicContact CD2-CD1 4.18Å; L22-I26 HydrophobicContact CG-CD1 4.05Å; L22-I26 WeakPolarHBondContact O-CB 3.42Å; L22-I26 VanDerWaalsContact O-CG1 3.25Å; L22-I26 WeakPolarHBondContact O-CG1 3.29Å; L22-I26 PolarHBondContact O-N 3.42Å
23L90.3Very high82.2Confident104 Ų10497 Ų9755%0.54551%0.514SS..Hα-helixtrans-63.4-39.1176.6-73.7169.9000111.6I19 V20 I26 Y27I19-L23 HydrophobicContact CG2-CD1 3.83Å; I19-L23 HydrophobicContact CG2-CG 4.33Å; I19-L23 WeakPolarHBondContact O-CB 3.44Å; I19-L23 VanDerWaalsContact O-CG 3.28Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 3.39Å; V20-L23 PolarHBondContact O-N 2.93Å; L23-I26 PolarHBondContact O-N 3.31Å; L23-Y27 VanDerWaalsContact O-CB 3.24Å; L23-Y27 WeakPolarHBondContact O-CB 3.44Å; L23-Y27 PolarHBondContact O-N 3.25Å
24Q84.3Confident81Confident121 Ų12199.9 Ų99.957%0.56552%0.52SS*.Hα-helixtrans-63.8-43.1173.6-76.7178.3-22.800111.9V20 A21 L22 Y27 L28V20-Q24 WeakPolarHBondContact O-CB 3.36Å; V20-Q24 WeakPolarHBondContact O-CG 3.48Å; V20-Q24 PolarHBondContact O-N 3.19Å; A21-Q24 PolarHBondContact O-N 2.99Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; L22-Q24 PolarHBondContact O-N 3.17Å; Q24-Y27 PolarHBondContact O-N 2.86Å; Q24-L28 WeakPolarHBondContact O-CB 3.46Å; Q24-L28 VanDerWaalsContact O-CG 3.28Å; Q24-L28 WeakPolarHBondContact O-CG 3.19Å; Q24-L28 PolarHBondContact O-N 3.32Å
25L86.3Confident79.5Confident116 Ų116101.7 Ų101.761%0.60753%0.526SS*.Hα-helixtrans-65-40.7175.8-74170.6000112.3A21 L22 L28 S29A21-L25 WeakPolarHBondContact O-CG 3.43Å; A21-L25 PolarHBondContact O-N 3.34Å; L22-L25 PolarHBondContact O-N 3.25Å; L25-L28 PolarHBondContact O-N 2.99Å; L25-S29 VanDerWaalsContact O-CB 3.29Å; L25-S29 WeakPolarHBondContact O-CB 3.32Å; L25-S29 PolarHBondContact O-N 3.41Å
26I83.4Confident78.2Confident78 Ų7899.8 Ų99.840%0.452%0.517SS..Hα-helixtrans-63.9-44.7174.8-69.4165.9000110.1L22 L23 S29 F30L22-I26 HydrophobicContact CD2-CD1 4.18Å; L22-I26 HydrophobicContact CG-CD1 4.05Å; L22-I26 WeakPolarHBondContact O-CB 3.42Å; L22-I26 VanDerWaalsContact O-CG1 3.25Å; L22-I26 WeakPolarHBondContact O-CG1 3.29Å; L22-I26 PolarHBondContact O-N 3.42Å; L23-I26 PolarHBondContact O-N 3.31Å; I26-S29 WeakPolarHBondContact O-CB 3.36Å; I26-S29 PolarHBondContact O-N 2.96Å; I26-F30 HydrophobicContact CG2-CD2 3.75Å; I26-F30 HydrophobicContact CG2-CE2 3.94Å; I26-F30 WeakPolarHBondContact O-CD2 3.07Å; I26-F30 PolarHBondContact O-N 3.33Å
27Y79Confident76.8Confident154 Ų154104.3 Ų104.360%0.60453%0.527SS*.Hα-helixtrans-60.9-46.6177.3179.6-107.5000112L23 Q24 S29 F30 L31L23-Y27 VanDerWaalsContact O-CB 3.24Å; L23-Y27 WeakPolarHBondContact O-CB 3.44Å; L23-Y27 PolarHBondContact O-N 3.25Å; Q24-Y27 PolarHBondContact O-N 2.86Å; Y27-S29 VanDerWaalsContact C-N 3.34Å; Y27-S29 PolarHBondContact O-N 3.3Å; Y27-F30 PolarHBondContact O-N 3.24Å; Y27-L31 HydrophobicContact CD1-CD1 3.79Å; Y27-L31 HydrophobicContact CE1-CD1 3.28Å; Y27-L31 HydrophobicContact CE1-CG 4.19Å; Y27-L31 HydrophobicContact CE2-CD1 4.33Å; Y27-L31 HydrophobicContact CE2-CG 4.41Å; Y27-L31 HydrophobicContact CG-CD1 4.5Å; Y27-L31 PolarHBondContact O-N 3.22Å
28L74.5Confident75.3Confident106 Ų106102.9 Ų102.956%0.55552%0.517SS*.Hα-helixtrans-62.3-39.4175.1-73.1168.1000112.2Q24 L25 L31 S32Q24-L28 WeakPolarHBondContact O-CB 3.46Å; Q24-L28 VanDerWaalsContact O-CG 3.28Å; Q24-L28 WeakPolarHBondContact O-CG 3.19Å; Q24-L28 PolarHBondContact O-N 3.32Å; L25-L28 PolarHBondContact O-N 2.99Å; L28-L31 PolarHBondContact O-N 3.23Å; L28-S32 WeakPolarHBondContact O-CB 3.13Å; L28-S32 PolarHBondContact O-N 3.31Å
29S75.3Confident73.7Confident72 Ų72101.6 Ų101.650%0.50351%0.508SS..Hα-helixtrans-63.7-43.5174.2178.60000111.9L25 I26 Y27 S32 R33L25-S29 VanDerWaalsContact O-CB 3.29Å; L25-S29 WeakPolarHBondContact O-CB 3.32Å; L25-S29 PolarHBondContact O-N 3.41Å; I26-S29 WeakPolarHBondContact O-CB 3.36Å; I26-S29 PolarHBondContact O-N 2.96Å; Y27-S29 VanDerWaalsContact C-N 3.34Å; Y27-S29 PolarHBondContact O-N 3.3Å; S29-S32 PolarHBondContact O-N 2.83Å; S29-R33 VanDerWaalsContact O-CB 3.27Å; S29-R33 WeakPolarHBondContact O-CB 3.33Å; S29-R33 PolarHBondContact O-N 2.88Å
30F69.6Low72.1Confident137 Ų137106.1 Ų106.160%0.60152%0.519SS*.Hα-helixtrans-63.9-44.7175.4-96.4-82.6000112.1I26 Y27 R33 F34I26-F30 HydrophobicContact CG2-CD2 3.75Å; I26-F30 HydrophobicContact CG2-CE2 3.94Å; I26-F30 WeakPolarHBondContact O-CD2 3.07Å; I26-F30 PolarHBondContact O-N 3.33Å; Y27-F30 PolarHBondContact O-N 3.24Å; F30-R33 PolarHBondContact O-N 3.45Å; F30-F34 VanDerWaalsContact O-CB 3.31Å; F30-F34 WeakPolarHBondContact O-CB 3.37Å; F30-F34 PolarHBondContact O-N 3.4Å
31L63Low70.5Confident65 Ų65109.3 Ų109.334%0.3452%0.524SS..Hα-helixtrans-59-48.1174.6-80.6172.1000111.6Y27 L28 R33 F34 H35Y27-L31 HydrophobicContact CD1-CD1 3.79Å; Y27-L31 HydrophobicContact CE1-CD1 3.28Å; Y27-L31 HydrophobicContact CE1-CG 4.19Å; Y27-L31 HydrophobicContact CE2-CD1 4.33Å; Y27-L31 HydrophobicContact CE2-CG 4.41Å; Y27-L31 HydrophobicContact CG-CD1 4.5Å; Y27-L31 PolarHBondContact O-N 3.22Å; L28-L31 PolarHBondContact O-N 3.23Å; L31-R33 VanDerWaalsContact C-N 3.31Å; L31-R33 PolarHBondContact O-N 3.21Å; L31-F34 PolarHBondContact O-N 3.01Å; L31-H35 WeakPolarHBondContact O-CB 3.11Å; L31-H35 PolarHBondContact O-CD2 2.98Å; L31-H35 PolarHBondContact O-N 3.39Å
32S62.5Low69.2Low87 Ų87111.1 Ų111.161%0.60852%0.522SS*.Hα-helixtrans-58.8-42.7176.81780000111.9L28 S29 G36L28-S32 WeakPolarHBondContact O-CB 3.13Å; L28-S32 PolarHBondContact O-N 3.31Å; S29-S32 PolarHBondContact O-N 2.83Å; S32-G36 PolarHBondContact O-N 2.91Å
33R63.4Low67.9Low177 Ų177107.7 Ų107.767%0.66850%0.502SS*.Hα-helixtrans-73.1-34-178.7-150.8175.9-177.9-176.21.2112.5S29 F30 L31 K37S29-R33 VanDerWaalsContact O-CB 3.27Å; S29-R33 WeakPolarHBondContact O-CB 3.33Å; S29-R33 PolarHBondContact O-N 2.88Å; F30-R33 PolarHBondContact O-N 3.45Å; L31-R33 VanDerWaalsContact C-N 3.31Å; L31-R33 PolarHBondContact O-N 3.21Å; R33-K37 WeakPolarHBondContact O-CG 3.31Å; R33-K37 PolarHBondContact O-N 2.78Å
34F57.6Low66.5Low139 Ų139105 Ų10561%0.6149%0.492SS*.Hα-helixtrans-72.3-48.1176.5-157-90.9000111F30 L31 G36 K37 Q38F30-F34 VanDerWaalsContact O-CB 3.31Å; F30-F34 WeakPolarHBondContact O-CB 3.37Å; F30-F34 PolarHBondContact O-N 3.4Å; L31-F34 PolarHBondContact O-N 3.01Å; F34-G36 VanDerWaalsContact C-N 3.29Å; F34-G36 PolarHBondContact O-N 3.31Å; F34-K37 PolarHBondContact O-N 3.48Å; F34-K37 VanDerWaalsContact O-N 3.09Å; F34-Q38 PolarHBondContact O-N 2.95Å
35H58Low65.7Low123 Ų123102 Ų10257%0.56948%0.478SS*.Hα-helixtrans-55.7-45.2170.8-84.5-127.9000111L31 K37 Q38 Q39L31-H35 WeakPolarHBondContact O-CB 3.11Å; L31-H35 PolarHBondContact O-CD2 2.98Å; L31-H35 PolarHBondContact O-N 3.39Å; H35-K37 VanDerWaalsContact C-N 3.32Å; H35-K37 PolarHBondContact O-N 3.42Å; H35-Q38 PolarHBondContact O-N 2.76Å; H35-Q39 WeakPolarHBondContact O-CB 3.27Å; H35-Q39 PolarHBondContact O-N 3.16Å
36G59.3Low65Low23 Ų2396.8 Ų96.824%0.23745%0.451CS..Hα-helixtrans-62.3-33.4177.100000114S32 F34 R40S32-G36 PolarHBondContact O-N 2.91Å; F34-G36 VanDerWaalsContact C-N 3.29Å; F34-G36 PolarHBondContact O-N 3.31Å; G36-R40 VanDerWaalsContact O-CB 3.31Å; G36-R40 WeakPolarHBondContact O-CB 3.45Å; G36-R40 WeakPolarHBondContact O-CD 3.4Å; G36-R40 WeakPolarHBondContact O-CG 3.29Å; G36-R40 PolarHBondContact O-N 2.72Å; G36-R40 VanDerWaalsContact O-N 3.08Å
37K59Low64.4Low143 Ų14394.5 Ų94.562%0.62244%0.438SS*.Hα-helixtrans-73.7-47175.3-81.5-176.4177.8-175.60112.3R33 F34 H35 Q39 R40 Y41R33-K37 WeakPolarHBondContact O-CG 3.31Å; R33-K37 PolarHBondContact O-N 2.78Å; F34-K37 PolarHBondContact O-N 3.48Å; F34-K37 VanDerWaalsContact O-N 3.09Å; H35-K37 VanDerWaalsContact C-N 3.32Å; H35-K37 PolarHBondContact O-N 3.42Å; K37-Q39 VanDerWaalsContact C-N 3.33Å; K37-R40 PolarHBondContact O-N 2.85Å; K37-Y41 PolarHBondContact O-N 2.74Å
38Q58.5Low63.4Low80 Ų8089 Ų8937%0.37443%0.428SS..Hα-helixtrans-61.9-44.4178.2-176167.2-15.400110.7F34 H35 Y41 R42 E192F34-Q38 PolarHBondContact O-N 2.95Å; H35-Q38 PolarHBondContact O-N 2.76Å; Q38-Y41 PolarHBondContact O-N 2.98Å; Q38-R42 WeakPolarHBondContact O-CG 3.25Å; Q38-R42 PolarHBondContact O-N 2.91Å; Q38-E192 PolarHBondContact NE2-OE1 3.46Å
39Q57.6Low62Low87 Ų8786.2 Ų86.241%0.40742%0.424SS..Hα-helixtrans-60.4-48.3174.6-168.61748.400111H35 K37 Y41 R42 Y43H35-Q39 WeakPolarHBondContact O-CB 3.27Å; H35-Q39 PolarHBondContact O-N 3.16Å; K37-Q39 VanDerWaalsContact C-N 3.33Å; Q39-Y41 PolarHBondContact O-N 3.42Å; Q39-R42 PolarHBondContact O-N 3.48Å; Q39-Y43 HydrophobicContact CG-CD2 3.82Å; Q39-Y43 HydrophobicContact CG-CE2 3.58Å; Q39-Y43 WeakPolarHBondContact O-CD2 3.48Å; Q39-Y43 PolarHBondContact O-N 2.99Å
40R59.6Low60.5Low194 Ų19489.6 Ų89.673%0.73245%0.448SS*.Hα-helixtrans-60-39.4176.5-79.2172.7-172.8-176.62.6113.7G36 K37 Y43 S44G36-R40 VanDerWaalsContact O-CB 3.31Å; G36-R40 WeakPolarHBondContact O-CB 3.45Å; G36-R40 WeakPolarHBondContact O-CD 3.4Å; G36-R40 WeakPolarHBondContact O-CG 3.29Å; G36-R40 PolarHBondContact O-N 2.72Å; G36-R40 VanDerWaalsContact O-N 3.08Å; K37-R40 PolarHBondContact O-N 2.85Å; R40-Y43 PolarHBondContact O-N 3.04Å; R40-S44 PolarHBondContact O-N 3.28Å
41Y57.4Low59.2Low143 Ų14387.7 Ų87.756%0.56146%0.458SS*.Hα-helixtrans-64.2-47.1176.9-178.9-93000111.2K37 Q38 Q39 Y43 S44 E45K37-Y41 PolarHBondContact O-N 2.74Å; Q38-Y41 PolarHBondContact O-N 2.98Å; Q39-Y41 PolarHBondContact O-N 3.42Å; Y41-Y43 VanDerWaalsContact C-N 3.34Å; Y41-Y43 PolarHBondContact O-N 3.3Å; Y41-S44 WeakPolarHBondContact O-CA 3.36Å; Y41-S44 WeakPolarHBondContact O-CB 3.19Å; Y41-S44 PolarHBondContact O-N 2.87Å; Y41-S44 PolarHBondContact O-OG 2.96Å; Y41-E45 HydrophobicContact CE1-CG 4.09Å; Y41-E45 WeakPolarHBondContact CE1-OE1 3.49Å; Y41-E45 PolarHBondContact O-N 3.34Å; Y41-E45 VanDerWaalsContact O-N 3.1Å
42R61.3Low58Low79 Ų7988.5 Ų88.530%0.29847%0.474SS..Hα-helixtrans-64.6-36.7177-66.4-61.7-166.4162.713.5112.8Q38 Q39 S44 E45 L46Q38-R42 WeakPolarHBondContact O-CG 3.25Å; Q38-R42 PolarHBondContact O-N 2.91Å; Q39-R42 PolarHBondContact O-N 3.48Å; R42-S44 VanDerWaalsContact C-N 3.27Å; R42-S44 PolarHBondContact O-N 3.39Å; R42-E45 WeakPolarHBondContact CD-OE2 3.39Å; R42-E45 IonicContact CZ-OE2 3.95Å; R42-E45 IonicContact NE-OE2 3.35Å; R42-E45 IonicContact NH1-OE2 2.74Å; R42-E45 PolarHBondContact NH1-OE2 3.37Å; R42-E45 WeakPolarHBondContact O-CB 3.43Å; R42-E45 PolarHBondContact O-N 3.09Å; R42-E45 VanDerWaalsContact O-N 3.1Å; R42-L46 PolarHBondContact O-N 2.88Å
43Y65.2Low57.2Low33 Ų3393.2 Ų93.213%0.12948%0.483CS..Hα-helixtrans-58.9-39.7170.1-92.7-69.4000112.7Q39 R40 Y41 E45 L46 F47 R185Q39-Y43 HydrophobicContact CG-CD2 3.82Å; Q39-Y43 HydrophobicContact CG-CE2 3.58Å; Q39-Y43 WeakPolarHBondContact O-CD2 3.48Å; Q39-Y43 PolarHBondContact O-N 2.99Å; R40-Y43 PolarHBondContact O-N 3.04Å; Y41-Y43 VanDerWaalsContact C-N 3.34Å; Y41-Y43 PolarHBondContact O-N 3.3Å; Y43-E45 VanDerWaalsContact C-N 3.27Å; Y43-E45 PolarHBondContact O-N 3.06Å; Y43-L46 PolarHBondContact O-N 3.08Å; Y43-F47 AromaticContact CD1-CD2 3.64Å; Y43-F47 HydrophobicContact CD1-CD2 3.64Å; Y43-F47 AromaticContact CD1-CE2 3.74Å; Y43-F47 HydrophobicContact CD1-CE2 3.74Å; Y43-F47 HydrophobicContact CE1-CD2 4.16Å; Y43-F47 AromaticContact CE1-CE2 3.78Å; Y43-F47 HydrophobicContact CE1-CE2 3.78Å; Y43-F47 WeakPolarHBondContact O-CB 3.43Å; Y43-F47 PolarHBondContact O-N 2.88Å; Y43-R185 HydrophobicContact CE1-CB 4.2Å; Y43-R185 HydrophobicContact CE1-CG 3.74Å; Y43-R185 WeakPolarHBondContact OH-CA 3.46Å; Y43-R185 WeakPolarHBondContact OH-CB 3.33Å; Y43-R185 PolarHBondContact OH-O 3.15Å
44S62.5Low56.1Low49 Ų4994.1 Ų94.134%0.34349%0.492SS..Hα-helixtrans-67.4-30.8176.879.20000112R40 Y41 R42 G48R40-S44 PolarHBondContact O-N 3.28Å; Y41-S44 WeakPolarHBondContact O-CA 3.36Å; Y41-S44 WeakPolarHBondContact O-CB 3.19Å; Y41-S44 PolarHBondContact O-N 2.87Å; Y41-S44 PolarHBondContact O-OG 2.96Å; R42-S44 VanDerWaalsContact C-N 3.27Å; R42-S44 PolarHBondContact O-N 3.39Å; S44-G48 VanDerWaalsContact O-CA 3.25Å; S44-G48 WeakPolarHBondContact O-CA 3.49Å; S44-G48 PolarHBondContact O-N 3.38Å
45E67.1Low55.3Low57 Ų5795 Ų9527%0.26650%0.503SS..Hα-helixtrans-69.5-43.3172.2-67.9-171.514500112.5Y41 R42 Y43 F157Y41-E45 HydrophobicContact CE1-CG 4.09Å; Y41-E45 WeakPolarHBondContact CE1-OE1 3.49Å; Y41-E45 PolarHBondContact O-N 3.34Å; Y41-E45 VanDerWaalsContact O-N 3.1Å; R42-E45 WeakPolarHBondContact CD-OE2 3.39Å; R42-E45 IonicContact CZ-OE2 3.95Å; R42-E45 IonicContact NE-OE2 3.35Å; R42-E45 IonicContact NH1-OE2 2.74Å; R42-E45 PolarHBondContact NH1-OE2 3.37Å; R42-E45 WeakPolarHBondContact O-CB 3.43Å; R42-E45 PolarHBondContact O-N 3.09Å; R42-E45 VanDerWaalsContact O-N 3.1Å; Y43-E45 VanDerWaalsContact C-N 3.27Å; Y43-E45 PolarHBondContact O-N 3.06Å; E45-F157 HydrophobicContact CB-CZ 4.18Å; E45-F157 WeakPolarHBondContact O-CZ 3.45Å
46L70.6Confident54.6Low7 Ų792.9 Ų92.94%0.03751%0.507CS..Hα-helixtrans-75.7-35.1-177.7-81.4164.3000113.8R42 Y43 Y153 F157 F158 F188R42-L46 PolarHBondContact O-N 2.88Å; Y43-L46 PolarHBondContact O-N 3.08Å; L46-Y153 HydrophobicContact CD2-CE1 4.17Å; L46-Y153 PolarHBondContact O-OH 3.47Å; L46-F157 HydrophobicContact CD2-CB 4.18Å; L46-F157 HydrophobicContact CD2-CD1 3.6Å; L46-F157 HydrophobicContact CD2-CD2 4.12Å; L46-F157 HydrophobicContact CD2-CE1 3.94Å; L46-F157 HydrophobicContact CD2-CE2 4.41Å; L46-F157 HydrophobicContact CD2-CG 3.7Å; L46-F157 HydrophobicContact CD2-CZ 4.33Å; L46-F157 HydrophobicContact CG-CD1 4.4Å; L46-F157 HydrophobicContact CG-CE1 4.29Å; L46-F158 HydrophobicContact CD1-CE2 4.12Å; L46-F158 HydrophobicContact CD1-CZ 4.08Å; L46-F158 HydrophobicContact CD2-CE2 3.85Å; L46-F158 HydrophobicContact CD2-CZ 4.17Å; L46-F158 HydrophobicContact CG-CE2 4.33Å; L46-F158 HydrophobicContact CG-CZ 4.22Å; L46-F188 HydrophobicContact CD1-CB 4.1Å; L46-F188 HydrophobicContact CD1-CD1 3.63Å; L46-F188 HydrophobicContact CD1-CE1 4.4Å; L46-F188 HydrophobicContact CD1-CG 4.07Å; L46-F188 HydrophobicContact CD2-CD1 4.39Å; L46-F188 HydrophobicContact CD2-CE1 4.45Å
47F71.1Confident54Low30 Ų3098 Ų9813%0.13253%0.525CS..Hα-helixtrans-120.1-4.5-169.6-63.9-83.3000114.4Y43 K64 F180 P181 F188Y43-F47 AromaticContact CD1-CD2 3.64Å; Y43-F47 HydrophobicContact CD1-CD2 3.64Å; Y43-F47 AromaticContact CD1-CE2 3.74Å; Y43-F47 HydrophobicContact CD1-CE2 3.74Å; Y43-F47 HydrophobicContact CE1-CD2 4.16Å; Y43-F47 AromaticContact CE1-CE2 3.78Å; Y43-F47 HydrophobicContact CE1-CE2 3.78Å; Y43-F47 WeakPolarHBondContact O-CB 3.43Å; Y43-F47 PolarHBondContact O-N 2.88Å; F47-K64 PolarHBondContact O-NZ 3.43Å; F47-F180 AromaticContact CD1-CE1 3.8Å; F47-F180 HydrophobicContact CD1-CE1 3.8Å; F47-F180 HydrophobicContact CD1-CZ 4.1Å; F47-F180 AromaticContact CE1-CE1 3.61Å; F47-F180 HydrophobicContact CE1-CE1 3.61Å; F47-F180 AromaticContact CE1-CZ 3.93Å; F47-F180 HydrophobicContact CE1-CZ 3.93Å; F47-P181 WeakPolarHBondContact CE1-O 3.35Å; F47-P181 WeakPolarHBondContact CZ-O 3.41Å; F47-F188 HydrophobicContact CE2-CD2 4.2Å; F47-F188 HydrophobicContact CE2-CE2 4.33Å; F47-F188 HydrophobicContact CE2-CG 4.44Å; F47-F188 AromaticContact CZ-CD2 3.99Å; F47-F188 HydrophobicContact CZ-CD2 3.99Å; F47-F188 AromaticContact CZ-CE2 3.68Å; F47-F188 HydrophobicContact CZ-CE2 3.68Å; F47-F188 HydrophobicContact CZ-CZ 4Å
48G58.5Low53.5Low39 Ų3996.4 Ų96.440%0.40253%0.529SS..  trans59.397.6176.500000112.9S44S44-G48 VanDerWaalsContact O-CA 3.25Å; S44-G48 WeakPolarHBondContact O-CA 3.49Å; S44-G48 PolarHBondContact O-N 3.38Å
49G45.3Very low53.2Low46 Ų4698.5 Ų98.547%0.47454%0.539SS..  trans-75.8135.5169.100000111.1A51 A52G49-A51 PolarHBondContact O-N 3.28Å; G49-A52 PolarHBondContact O-N 2.92Å
50S42.8Very low52.9Low144 Ų14499.5 Ų99.5100%1.00754%0.541SS*.THydrogen-bonded Turntrans-57.94.6178.9-37.60000116
51A42.5Very low53Low97 Ų9794.3 Ų94.380%0.80253%0.528SS*.THydrogen-bonded Turntrans-119.9-6-173.100000115.1G49 K53G49-A51 PolarHBondContact O-N 3.28Å; A51-K53 PolarHBondContact O-N 2.84Å
52A39.2Very low53.9Low81 Ų8189.8 Ų89.867%0.66952%0.515SS*.  trans-9290.7178.900000111.2G49G49-A52 PolarHBondContact O-N 2.92Å
53K45.2Very low54.8Low186 Ų18687.9 Ų87.981%0.80951%0.508SS*.  trans-63.8143.9177.2-87.3178.4176.2173.40113.5A51 N55A51-K53 PolarHBondContact O-N 2.84Å; K53-N55 PolarHBondContact O-N 3.31Å
54K40Very low55.7Low197 Ų19787.4 Ų87.486%0.85751%0.507SS*.SBendtrans81.4-16.1141.9-77.9-175.2173.6-171.70122.5
55N40.1Very low56.9Low157 Ų15790.6 Ų90.684%0.8452%0.517SS*.  trans-12613.9179.8-75.9-9.2000115.4K53 H57K53-N55 PolarHBondContact O-N 3.31Å; N55-H57 PolarHBondContact O-N 3.25Å
56A43.4Very low57.8Low79 Ų7993.4 Ų93.465%0.65353%0.525SS*.  trans-73.6125.2175.300000110.5
57H46.7Very low58.8Low131 Ų13193.2 Ų93.261%0.60652%0.524SS*.  trans-53.9124.8172.4-86.2-81.1000109.9N55 E59 K60N55-H57 PolarHBondContact O-N 3.25Å; H57-E59 PolarHBondContact O-N 3.1Å; H57-E59 VanDerWaalsContact O-N 3.07Å; H57-K60 PolarHBondContact O-N 2.85Å; H57-K60 VanDerWaalsContact O-N 3.1Å
58P48.7Very low59.8Low109 Ų10996.3 Ų96.371%0.70854%0.535SS*.Hα-helixtrans-51.3-36.3-176.4-26.832.6000113.5K60 N61 T62P58-K60 VanDerWaalsContact C-N 3.33Å; P58-K60 PolarHBondContact O-N 3.43Å; P58-N61 PolarHBondContact O-N 3.1Å; P58-T62 WeakPolarHBondContact O-CG2 3.4Å
59E51.6Low61.3Low124 Ų124103.1 Ų103.158%0.57955%0.549SS*.Hα-helixtrans-60.4-34.2-178.5-71.1179.8157.800114H57 N61 T62 R63H57-E59 PolarHBondContact O-N 3.1Å; H57-E59 VanDerWaalsContact O-N 3.07Å; E59-N61 PolarHBondContact O-N 3.14Å; E59-T62 PolarHBondContact O-N 2.72Å; E59-T62 VanDerWaalsContact O-N 3.15Å; E59-T62 PolarHBondContact O-OG1 2.69Å; E59-R63 PolarHBondContact O-N 3.41Å
60K53.2Low63.5Low107 Ų107102.2 Ų102.247%0.46554%0.536SS..Hα-helixtrans-68.1-37-175.1-69.3-172.4178.1-174.30112.8H57 P58 T62 F157H57-K60 PolarHBondContact O-N 2.85Å; H57-K60 VanDerWaalsContact O-N 3.1Å; P58-K60 VanDerWaalsContact C-N 3.33Å; P58-K60 PolarHBondContact O-N 3.43Å; K60-T62 VanDerWaalsContact C-N 3.32Å; K60-F157 HydrophobicContact CD-CE2 4.37Å
61N59.9Low65.9Low85 Ų8595.9 Ų95.946%0.45549%0.49SS..Hα-helixtrans-67.9-33.4173.7-96.2-8.1000111.7P58 E59 R63 E65P58-N61 PolarHBondContact O-N 3.1Å; E59-N61 PolarHBondContact O-N 3.14Å; N61-R63 PolarHBondContact O-N 2.97Å; N61-E65 WeakPolarHBondContact O-CG 3.48Å; N61-E65 PolarHBondContact O-N 3.27Å
62T76.2Confident68.1Low48 Ų4895.7 Ų95.729%0.29448%0.483SS..Hα-helixtrans-68.2-35.4-177.268.40000113.7P58 E59 K60 E65 R66P58-T62 WeakPolarHBondContact O-CG2 3.4Å; E59-T62 PolarHBondContact O-N 2.72Å; E59-T62 VanDerWaalsContact O-N 3.15Å; E59-T62 PolarHBondContact O-OG1 2.69Å; K60-T62 VanDerWaalsContact C-N 3.32Å; T62-E65 PolarHBondContact O-N 3.04Å; T62-R66 WeakPolarHBondContact O-CB 3.48Å; T62-R66 WeakPolarHBondContact O-CG 3.29Å; T62-R66 PolarHBondContact O-N 3.12Å
63R80.6Confident70.4Confident39 Ų3995.6 Ų95.615%0.14748%0.478CS..Hα-helixtrans-67.8-44179.2-79.1-164.8-174.4135.426113E59 N61 E65 R66 L67 D93 S156 Q163E59-R63 PolarHBondContact O-N 3.41Å; N61-R63 PolarHBondContact O-N 2.97Å; R63-E65 VanDerWaalsContact C-N 3.29Å; R63-E65 PolarHBondContact O-N 3.06Å; R63-R66 PolarHBondContact O-N 2.85Å; R63-L67 PolarHBondContact O-N 3.42Å; R63-D93 IonicContact CZ-OD1 3.1Å; R63-D93 IonicContact NE-OD1 3.09Å; R63-D93 VanDerWaalsContact NH2-CG 3.32Å; R63-D93 IonicContact NH2-OD1 3.93Å; R63-D93 PolarHBondContact NH2-OD1 2.84Å; R63-D93 IonicContact NH2-OD2 2.64Å; R63-D93 PolarHBondContact NH2-OD2 3.35Å; R63-D93 VanDerWaalsContact NH2-OD2 3.16Å; R63-S156 PolarHBondContact NH1-O 3.27Å; R63-Q163 VanDerWaalsContact CZ-CD 3.41Å
64K85.3Confident72.5Confident23 Ų2388 Ų8810%0.145%0.452CS..Hα-helixtrans-56.7-46.8175.2-176.7-174.9176.5-161.10110.8F47 L67 R68 F180F47-K64 PolarHBondContact O-NZ 3.43Å; K64-L67 PolarHBondContact O-N 2.91Å; K64-R68 VanDerWaalsContact NZ-NH2 3.2Å; K64-R68 WeakPolarHBondContact O-CG 3.49Å; K64-R68 PolarHBondContact O-N 2.79Å; K64-F180 HydrophobicContact CD-CZ 4.32Å; K64-F180 HydrophobicContact CG-CE2 3.96Å; K64-F180 HydrophobicContact CG-CZ 3.69Å
65E86.6Confident74.9Confident117 Ų11779.2 Ų79.255%0.54742%0.418SS..Hα-helixtrans-64.5-43.2178.1-71.4170.4177.100112N61 T62 R63 R68 Y69N61-E65 WeakPolarHBondContact O-CG 3.48Å; N61-E65 PolarHBondContact O-N 3.27Å; T62-E65 PolarHBondContact O-N 3.04Å; R63-E65 VanDerWaalsContact C-N 3.29Å; R63-E65 PolarHBondContact O-N 3.06Å; E65-R68 PolarHBondContact O-N 2.66Å; E65-Y69 WeakPolarHBondContact O-CB 3.29Å; E65-Y69 PolarHBondContact O-N 3.22Å
66R87.6Confident77.6Confident115 Ų11576.2 Ų76.243%0.43440%0.401SS..Hα-helixtrans-60.2-46.1174.7-74.5173.4-168.9-179.44.7112.1T62 R63 Y69 S70 T96T62-R66 WeakPolarHBondContact O-CB 3.48Å; T62-R66 WeakPolarHBondContact O-CG 3.29Å; T62-R66 PolarHBondContact O-N 3.12Å; R63-R66 PolarHBondContact O-N 2.85Å; R66-Y69 WeakPolarHBondContact O-CB 3.43Å; R66-Y69 PolarHBondContact O-N 3.38Å; R66-S70 PolarHBondContact O-N 3.16Å; R66-S70 PolarHBondContact O-OG 2.72Å; R66-T96 VanDerWaalsContact NH1-CG2 3.32Å; R66-T96 PolarHBondContact NH1-OG1 2.88Å
67L91Very high80.2Confident3 Ų377.9 Ų77.92%0.01639%0.393CS..Hα-helixtrans-62.9-44.3178178.559000111.3R63 K64 Y69 S70 L71 L89 I90 Y153 F180R63-L67 PolarHBondContact O-N 3.42Å; K64-L67 PolarHBondContact O-N 2.91Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 2.94Å; L67-S70 PolarHBondContact O-N 2.79Å; L67-L71 HydrophobicContact CD1-CD1 3.8Å; L67-L71 HydrophobicContact CD1-CG 4.08Å; L67-L71 HydrophobicContact CG-CD1 3.83Å; L67-L71 WeakPolarHBondContact O-CB 3.12Å; L67-L71 VanDerWaalsContact O-CG 3.29Å; L67-L71 WeakPolarHBondContact O-CG 3.29Å; L67-L71 PolarHBondContact O-N 3.47Å; L67-L89 HydrophobicContact CD1-CD1 3.48Å; L67-L89 VanDerWaalsContact CD1-CD1 3.48Å; L67-L89 HydrophobicContact CD1-CD2 4.47Å; L67-L89 HydrophobicContact CD1-CG 3.7Å; L67-I90 HydrophobicContact CD1-CD1 4.41Å; L67-I90 HydrophobicContact CD1-CG1 4.01Å; L67-I90 HydrophobicContact CD2-CD1 4.38Å; L67-Y153 HydrophobicContact CD2-CD2 3.46Å; L67-Y153 VanDerWaalsContact CD2-CD2 3.46Å; L67-Y153 HydrophobicContact CD2-CE2 4.27Å; L67-Y153 HydrophobicContact CD2-CG 3.69Å; L67-F180 HydrophobicContact CB-CD2 4.5Å; L67-F180 HydrophobicContact CB-CE2 4.47Å; L67-F180 HydrophobicContact CD2-CD2 3.97Å; L67-F180 HydrophobicContact CD2-CE2 3.9Å; L67-F180 HydrophobicContact CG-CD2 4.03Å; L67-F180 HydrophobicContact CG-CE2 4.28Å
68R91.4Very high82.5Confident96 Ų9672.4 Ų72.436%0.36237%0.369SS..Hα-helixtrans-57.6-43.2174-79.1-179.6171.9167.1-9111.8K64 E65 L71 S72 F180 E182K64-R68 VanDerWaalsContact NZ-NH2 3.2Å; K64-R68 WeakPolarHBondContact O-CG 3.49Å; K64-R68 PolarHBondContact O-N 2.79Å; E65-R68 PolarHBondContact O-N 2.66Å; R68-L71 PolarHBondContact O-N 3.5Å; R68-S72 WeakPolarHBondContact O-CB 3.48Å; R68-S72 PolarHBondContact O-N 2.83Å; R68-S72 PolarHBondContact O-OG 3.49Å; R68-F180 HydrophobicContact CG-CB 4.12Å; R68-F180 HydrophobicContact CG-CD1 4.32Å; R68-F180 HydrophobicContact CG-CD2 3.53Å; R68-F180 HydrophobicContact CG-CE2 4.04Å; R68-F180 HydrophobicContact CG-CG 3.71Å; R68-E182 IonicContact CZ-OE1 3.21Å; R68-E182 IonicContact NE-OE1 3.05Å; R68-E182 PolarHBondContact NE-OE1 2.77Å; R68-E182 IonicContact NH2-OE1 2.64Å; R68-E182 PolarHBondContact NH2-OE1 3.47Å
69Y89.7Confident84.7Confident181 Ų18175 Ų7571%0.7138%0.377SS*.Hα-helixtrans-65-45.8177179.4-95.6000112.4E65 R66 L67 L71 S72 S73E65-Y69 WeakPolarHBondContact O-CB 3.29Å; E65-Y69 PolarHBondContact O-N 3.22Å; R66-Y69 WeakPolarHBondContact O-CB 3.43Å; R66-Y69 PolarHBondContact O-N 3.38Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 2.94Å; Y69-L71 VanDerWaalsContact C-N 3.25Å; Y69-L71 PolarHBondContact O-N 3.05Å; Y69-S72 PolarHBondContact O-N 3.46Å; Y69-S72 PolarHBondContact O-OG 3.35Å; Y69-S73 PolarHBondContact O-N 2.98Å
70S91.1Very high86.7Confident27 Ų2772.2 Ų72.219%0.18937%0.371CS..Hα-helixtrans-58.8-39.2176.2-67.20000111.5R66 L67 S73 N88R66-S70 PolarHBondContact O-N 3.16Å; R66-S70 PolarHBondContact O-OG 2.72Å; L67-S70 PolarHBondContact O-N 2.79Å; S70-S73 PolarHBondContact O-OG 3.21Å; S70-N88 PolarHBondContact OG-O 3.16Å
71L93.3Very high88.7Confident11 Ų1168.8 Ų68.86%0.05837%0.366CS..Hα-helixtrans-75.6-35.4178.1-69.3167.6000113L67 R68 Y69 S73 G74 Y86 L89 T149 A178 F180L67-L71 HydrophobicContact CD1-CD1 3.8Å; L67-L71 HydrophobicContact CD1-CG 4.08Å; L67-L71 HydrophobicContact CG-CD1 3.83Å; L67-L71 WeakPolarHBondContact O-CB 3.12Å; L67-L71 VanDerWaalsContact O-CG 3.29Å; L67-L71 WeakPolarHBondContact O-CG 3.29Å; L67-L71 PolarHBondContact O-N 3.47Å; R68-L71 PolarHBondContact O-N 3.5Å; Y69-L71 VanDerWaalsContact C-N 3.25Å; Y69-L71 PolarHBondContact O-N 3.05Å; L71-S73 PolarHBondContact O-N 3.34Å; L71-G74 PolarHBondContact O-N 2.91Å; L71-Y86 HydrophobicContact CD2-CD1 4.12Å; L71-Y86 HydrophobicContact CD2-CE1 4.13Å; L71-L89 HydrophobicContact CD2-CD1 3.53Å; L71-L89 HydrophobicContact CG-CD1 3.8Å; L71-T149 HydrophobicContact CD1-CG2 3.89Å; L71-T149 HydrophobicContact CD2-CG2 4.26Å; L71-A178 HydrophobicContact CD2-CB 3.53Å; L71-F180 HydrophobicContact CD1-CB 3.99Å; L71-F180 HydrophobicContact CD1-CD2 4.41Å
72S89.9Confident90.4Very high93 Ų9369.4 Ų69.465%0.6537%0.366SS*.Hα-helixtrans-68.6-17.5-179.870.30000113.6R68 Y69 G74R68-S72 WeakPolarHBondContact O-CB 3.48Å; R68-S72 PolarHBondContact O-N 2.83Å; R68-S72 PolarHBondContact O-OG 3.49Å; Y69-S72 PolarHBondContact O-N 3.46Å; Y69-S72 PolarHBondContact O-OG 3.35Å; S72-G74 PolarHBondContact O-N 3.18Å
73S87.5Confident91.5Very high80 Ų8067.6 Ų67.656%0.55935%0.354SS*.THydrogen-bonded Turntrans-59.9-19.7168.973.50000113.2Y69 S70 L71 G75Y69-S73 PolarHBondContact O-N 2.98Å; S70-S73 PolarHBondContact O-OG 3.21Å; L71-S73 PolarHBondContact O-N 3.34Å; S73-G75 PolarHBondContact O-N 3.42Å; S73-G75 PolarHBondContact OG-N 2.95Å; S73-G75 VanDerWaalsContact OG-N 3.14Å
74G88.3Confident92.3Very high25 Ų2567.4 Ų67.426%0.25835%0.353SS..  trans72.23.4-173.400000113.5L71 S72 R84L71-G74 PolarHBondContact O-N 2.91Å; S72-G74 PolarHBondContact O-N 3.18Å; G74-R84 WeakPolarHBondContact O-CD 3.49Å; G74-R84 PolarHBondContact O-NH1 3.27Å
75G92.1Very high92.9Very high14 Ų1466.6 Ų66.614%0.14435%0.35CS..  trans67.6170.5-17400000113S73 V85S73-G75 PolarHBondContact O-N 3.42Å; S73-G75 PolarHBondContact OG-N 2.95Å; S73-G75 VanDerWaalsContact OG-N 3.14Å; G75-V85 WeakPolarHBondContact CA-O 3.36Å
76I95.8Very high93.4Very high94 Ų9461.2 Ų61.248%0.48233%0.325SS..EExtended strand (participates in β ladder)trans-110.4149.4177.561.5175.6000110.3R84 V85 K87I76-R84 CarbonylContact O-C 3.54Å; I76-V85 HydrophobicContact CG1-CB 4.09Å; I76-V85 PolarHBondContact N-O 3.36Å; I76-V85 PolarHBondContact O-N 2.97Å; I76-K87 HydrophobicContact CD1-CD 4.2Å
77F97.1Very high93.8Very high113 Ų11360.6 Ų60.650%0.49633%0.325SS..EExtended strand (participates in β ladder)trans-77.4146.7172.1-63.7-64.1000111.1Y83 R84F77-Y83 VanDerWaalsContact CA-O 3.32Å; F77-Y83 WeakPolarHBondContact CA-O 3.49Å; F77-R84 HydrophobicContact CD1-CB 4.48Å; F77-R84 HydrophobicContact CE1-CB 4.48Å; F77-R84 VanDerWaalsContact CZ-NH2 3.26Å
78D95.9Very high93.9Very high17 Ų1762.8 Ų62.89%0.09134%0.337CS..  trans-69.1171.3166.481.4-60.3000110.8S80 G81 Q82 Y83 V85 L223D78-S80 VanDerWaalsContact CG-OG 3.31Å; D78-S80 PolarHBondContact O-N 3.08Å; D78-S80 VanDerWaalsContact O-N 3.16Å; D78-S80 PolarHBondContact OD1-OG 2.71Å; D78-S80 VanDerWaalsContact OD2-CB 3.29Å; D78-S80 WeakPolarHBondContact OD2-CB 3.48Å; D78-S80 PolarHBondContact OD2-N 3.23Å; D78-S80 PolarHBondContact OD2-OG 3.43Å; D78-G81 PolarHBondContact O-N 3.13Å; D78-G81 PolarHBondContact OD1-N 3.25Å; D78-Q82 PolarHBondContact OD1-N 2.92Å; D78-Y83 PolarHBondContact N-O 3.12Å; D78-Y83 PolarHBondContact OD1-N 3.02Å; D78-V85 HydrophobicContact CB-CG2 4.49Å; D78-L223 HydrophobicContact CB-CD1 4.01Å; D78-L223 HydrophobicContact CB-CD2 4.2Å
79N93.9Very high94Very high163 Ų16358.5 Ų58.587%0.87232%0.321SS*.THydrogen-bonded Turntrans-62.4-25.9-176.7-70.9-11.6000113.3
80S94.5Very high94.3Very high65 Ų6550.6 Ų50.646%0.45529%0.291SS..THydrogen-bonded Turntrans-83.2-14176.376.20000113.7D78 Q82D78-S80 VanDerWaalsContact CG-OG 3.31Å; D78-S80 PolarHBondContact O-N 3.08Å; D78-S80 VanDerWaalsContact O-N 3.16Å; D78-S80 PolarHBondContact OD1-OG 2.71Å; D78-S80 VanDerWaalsContact OD2-CB 3.29Å; D78-S80 WeakPolarHBondContact OD2-CB 3.48Å; D78-S80 PolarHBondContact OD2-N 3.23Å; D78-S80 PolarHBondContact OD2-OG 3.43Å; S80-Q82 PolarHBondContact O-N 2.99Å; S80-Q82 VanDerWaalsContact OG-CB 3.32Å; S80-Q82 WeakPolarHBondContact OG-CB 3.36Å; S80-Q82 WeakPolarHBondContact OG-CG 3.43Å; S80-Q82 PolarHBondContact OG-N 3.47Å
81G95.6Very high94.5Very high36 Ų3653.6 Ų53.637%0.37130%0.301SS..SBendtrans70.96.2-172.400000114.5D78 S174D78-G81 PolarHBondContact O-N 3.13Å; D78-G81 PolarHBondContact OD1-N 3.25Å; G81-S174 WeakPolarHBondContact O-CB 3.32Å; G81-S174 PolarHBondContact O-OG 3.42Å
82Q95.9Very high94.6Very high97 Ų9753.1 Ų53.145%0.45330%0.299SS..SBendtrans-84-23.4-178.2-64.7-177.4-11.900112.6D78 S80 S174D78-Q82 PolarHBondContact OD1-N 2.92Å; S80-Q82 PolarHBondContact O-N 2.99Å; S80-Q82 VanDerWaalsContact OG-CB 3.32Å; S80-Q82 WeakPolarHBondContact OG-CB 3.36Å; S80-Q82 WeakPolarHBondContact OG-CG 3.43Å; S80-Q82 PolarHBondContact OG-N 3.47Å; Q82-S174 PolarHBondContact O-N 3.17Å; Q82-S174 PolarHBondContact O-OG 3.09Å
83Y97.9Very high94.7Very high10 Ų1050.4 Ų50.44%0.03928%0.276CS..EExtended strand (participates in β ladder)trans-126.6145.7-173.6-56.9-80.6000111.4F77 D78 F139 V171 C172 L173 P220 L223 K359F77-Y83 VanDerWaalsContact CA-O 3.32Å; F77-Y83 WeakPolarHBondContact CA-O 3.49Å; D78-Y83 PolarHBondContact N-O 3.12Å; D78-Y83 PolarHBondContact OD1-N 3.02Å; Y83-F139 AromaticContact CD1-CE2 3.9Å; Y83-F139 HydrophobicContact CD1-CE2 3.9Å; Y83-F139 AromaticContact CE1-CE2 3.83Å; Y83-F139 HydrophobicContact CE1-CE2 3.83Å; Y83-F139 HydrophobicContact CE1-CZ 4.13Å; Y83-V171 HydrophobicContact CD1-CG1 4.22Å; Y83-V171 HydrophobicContact CG-CG1 4.32Å; Y83-C172 CarbonylContact C-O 3.54Å; Y83-C172 VanDerWaalsContact CA-O 3.3Å; Y83-C172 WeakPolarHBondContact CA-O 3.31Å; Y83-L173 HydrophobicContact CD1-CD2 4.12Å; Y83-L173 HydrophobicContact CE1-CD2 3.87Å; Y83-P220 HydrophobicContact CD1-CG 4.21Å; Y83-P220 HydrophobicContact CE1-CB 3.93Å; Y83-P220 HydrophobicContact CE1-CG 3.71Å; Y83-P220 HydrophobicContact CE2-CB 4.01Å; Y83-L223 HydrophobicContact CD1-CD2 4.37Å; Y83-L223 HydrophobicContact CD2-CD2 3.49Å; Y83-L223 VanDerWaalsContact CD2-CD2 3.49Å; Y83-L223 HydrophobicContact CE2-CD2 4.23Å; Y83-L223 HydrophobicContact CG-CD2 3.57Å; Y83-K359 PolarHBondContact OH-NZ 3.44Å
84R97.9Very high94.9Very high36 Ų3648.5 Ų48.514%0.13626%0.258CS..EExtended strand (participates in β ladder)trans-104.2131.6169.4-177.6-176-61.3-74.6-3.6108.7G74 I76 F77 Y86 V171 C172 S174 E176G74-R84 WeakPolarHBondContact O-CD 3.49Å; G74-R84 PolarHBondContact O-NH1 3.27Å; I76-R84 CarbonylContact O-C 3.54Å; F77-R84 HydrophobicContact CD1-CB 4.48Å; F77-R84 HydrophobicContact CE1-CB 4.48Å; F77-R84 VanDerWaalsContact CZ-NH2 3.26Å; R84-Y86 VanDerWaalsContact CD-OH 3.31Å; R84-Y86 WeakPolarHBondContact CD-OH 3.48Å; R84-Y86 HydrophobicContact CG-CD2 4.47Å; R84-Y86 HydrophobicContact CG-CE2 3.84Å; R84-V171 WeakPolarHBondContact O-CA 3.48Å; R84-C172 PolarHBondContact N-O 2.8Å; R84-C172 PolarHBondContact O-N 2.95Å; R84-S174 PolarHBondContact NH2-O 2.68Å; R84-E176 WeakPolarHBondContact CD-O 3.42Å; R84-E176 PolarHBondContact NE-O 3.01Å
85V98.3Very high94.9Very high5 Ų548.7 Ų48.73%0.0325%0.254CS..EExtended strand (participates in β ladder)trans-120.1118.8-173.5-173.90000109.7G75 I76 D78 K87 V171 V227G75-V85 WeakPolarHBondContact CA-O 3.36Å; I76-V85 HydrophobicContact CG1-CB 4.09Å; I76-V85 PolarHBondContact N-O 3.36Å; I76-V85 PolarHBondContact O-N 2.97Å; D78-V85 HydrophobicContact CB-CG2 4.49Å; V85-K87 HydrophobicContact CG1-CG 3.61Å; V85-V171 HydrophobicContact CG1-CG2 4.2Å; V85-V171 HydrophobicContact CG2-CG1 4.41Å; V85-V171 HydrophobicContact CG2-CG2 4.26Å; V85-V227 HydrophobicContact CG1-CG1 3.99Å; V85-V227 HydrophobicContact CG1-CG2 3.73Å; V85-V227 HydrophobicContact CG2-CG2 4.37Å
86Y97.6Very high94.8Very high4 Ų450.2 Ų50.22%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-97.585.9167.9-61-94.6000108.3L71 R84 H169 L170 T177 A178L71-Y86 HydrophobicContact CD2-CD1 4.12Å; L71-Y86 HydrophobicContact CD2-CE1 4.13Å; R84-Y86 VanDerWaalsContact CD-OH 3.31Å; R84-Y86 WeakPolarHBondContact CD-OH 3.48Å; R84-Y86 HydrophobicContact CG-CD2 4.47Å; R84-Y86 HydrophobicContact CG-CE2 3.84Å; Y86-H169 WeakPolarHBondContact O-CA 3.49Å; Y86-L170 HydrophobicContact CD2-CB 4.45Å; Y86-L170 HydrophobicContact CD2-CD2 4.32Å; Y86-L170 HydrophobicContact CD2-CG 4.49Å; Y86-L170 PolarHBondContact N-O 3.31Å; Y86-L170 PolarHBondContact O-N 2.84Å; Y86-L170 VanDerWaalsContact O-N 3.11Å; Y86-T177 WeakPolarHBondContact OH-CA 3.35Å; Y86-A178 HydrophobicContact CD2-CB 4.16Å; Y86-A178 HydrophobicContact CE1-CB 4.24Å; Y86-A178 HydrophobicContact CE2-CB 3.66Å; Y86-A178 PolarHBondContact OH-N 2.93Å
87K94.3Very high94.3Very high102 Ų10251.7 Ų51.744%0.44327%0.27SS..EExtended strand (participates in β ladder)trans-69145.9173.5-65.9-169.8176.5178.50109.6I76 V85 L89I76-K87 HydrophobicContact CD1-CD 4.2Å; V85-K87 HydrophobicContact CG1-CG 3.61Å; K87-L89 PolarHBondContact O-N 3.29Å
88N93.1Very high93.4Very high50 Ų5048.8 Ų48.827%0.26726%0.258SS..EExtended strand (participates in β ladder)trans50.243.4-179.8-57.6-38.8000113.2S70 I90 K91 H169S70-N88 PolarHBondContact OG-O 3.16Å; N88-I90 VanDerWaalsContact C-N 3.28Å; N88-I90 PolarHBondContact O-N 3.41Å; N88-K91 HydrophobicContact CB-CD 4.38Å; N88-K91 HydrophobicContact CB-CG 4.07Å; N88-H169 PolarHBondContact N-ND1 3.27Å; N88-H169 PolarHBondContact OD1-CE1 3.37Å
89L95.4Very high92Very high5 Ų555.5 Ų55.53%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-56.4-47.4-179.2-179.566.8000110.4L67 L71 K87 V152 F168 L170L67-L89 HydrophobicContact CD1-CD1 3.48Å; L67-L89 VanDerWaalsContact CD1-CD1 3.48Å; L67-L89 HydrophobicContact CD1-CD2 4.47Å; L67-L89 HydrophobicContact CD1-CG 3.7Å; L71-L89 HydrophobicContact CD2-CD1 3.53Å; L71-L89 HydrophobicContact CG-CD1 3.8Å; K87-L89 PolarHBondContact O-N 3.29Å; L89-V152 HydrophobicContact CD2-CG1 4.48Å; L89-F168 WeakPolarHBondContact CB-O 3.49Å; L89-F168 PolarHBondContact N-O 3.03Å; L89-L170 HydrophobicContact CD2-CB 3.79Å; L89-L170 HydrophobicContact CD2-CD2 4.24Å
90I95.3Very high90.5Very high16 Ų1654.2 Ų54.28%0.08229%0.287CS..EExtended strand (participates in β ladder)trans-132.8129.6168.4-58.6-170.8000107.6L67 N88 V152 S156 D167 F168L67-I90 HydrophobicContact CD1-CD1 4.41Å; L67-I90 HydrophobicContact CD1-CG1 4.01Å; L67-I90 HydrophobicContact CD2-CD1 4.38Å; N88-I90 VanDerWaalsContact C-N 3.28Å; N88-I90 PolarHBondContact O-N 3.41Å; I90-V152 HydrophobicContact CD1-CG1 3.63Å; I90-V152 HydrophobicContact CG1-CG1 4.1Å; I90-S156 WeakPolarHBondContact CD1-OG 3.45Å; I90-D167 WeakPolarHBondContact O-CA 3.2Å; I90-F168 HydrophobicContact CB-CB 4.39Å; I90-F168 HydrophobicContact CB-CD2 4.33Å; I90-F168 PolarHBondContact N-O 3.28Å; I90-F168 PolarHBondContact O-N 2.6Å
91K94.7Very high88.8Confident90 Ų9054.8 Ų54.839%0.39130%0.303SS..  trans-101.6141.7171.6-68.8-169.1171.8-163.70110.3N88 T95 D167N88-K91 HydrophobicContact CB-CD 4.38Å; N88-K91 HydrophobicContact CB-CG 4.07Å; K91-T95 HydrophobicContact CD-CG2 4.07Å; K91-D167 WeakPolarHBondContact CA-OD1 3.08Å
92S94.8Very high87.2Confident1 Ų156.1 Ų56.11%0.00731%0.307CS..  trans-65.2161.5170.562.90000112.2F94 T95 T96 Q163 V166 D167S92-F94 VanDerWaalsContact C-N 3.25Å; S92-F94 PolarHBondContact O-N 2.88Å; S92-T95 PolarHBondContact O-N 2.91Å; S92-T95 PolarHBondContact OG-N 3.5Å; S92-T95 VanDerWaalsContact OG-N 3.16Å; S92-T95 PolarHBondContact OG-OG1 2.89Å; S92-T95 VanDerWaalsContact OG-OG1 3.12Å; S92-T96 WeakPolarHBondContact O-CB 3.3Å; S92-T96 PolarHBondContact O-N 2.84Å; S92-T96 PolarHBondContact O-OG1 3.27Å; S92-Q163 CarbonylContact C-O 3.57Å; S92-Q163 VanDerWaalsContact CA-O 3.29Å; S92-Q163 WeakPolarHBondContact CA-O 3.12Å; S92-V166 WeakPolarHBondContact CB-O 3.43Å; S92-V166 PolarHBondContact N-O 3.17Å; S92-D167 VanDerWaalsContact CB-OD1 3.29Å; S92-D167 WeakPolarHBondContact CB-OD1 3.4Å; S92-D167 PolarHBondContact N-OD1 3.28Å; S92-D167 PolarHBondContact OG-OD1 3.42Å
93D93.3Very high85.5Confident35 Ų3558.6 Ų58.619%0.18732%0.318CS..Hα-helixtrans-65.2-33.9172.1-66.2-16.7000110.7R63 T96 N97 Q163R63-D93 IonicContact CZ-OD1 3.1Å; R63-D93 IonicContact NE-OD1 3.09Å; R63-D93 VanDerWaalsContact NH2-CG 3.32Å; R63-D93 IonicContact NH2-OD1 3.93Å; R63-D93 PolarHBondContact NH2-OD1 2.84Å; R63-D93 IonicContact NH2-OD2 2.64Å; R63-D93 PolarHBondContact NH2-OD2 3.35Å; R63-D93 VanDerWaalsContact NH2-OD2 3.16Å; D93-T96 PolarHBondContact O-N 3.43Å; D93-N97 WeakPolarHBondContact O-CB 3.35Å; D93-N97 PolarHBondContact O-N 2.96Å; D93-N97 PolarHBondContact O-ND2 3.48Å; D93-Q163 PolarHBondContact N-O 2.89Å; D93-Q163 WeakPolarHBondContact OD2-CG 3.49Å; D93-Q163 PolarHBondContact OD2-NE2 2.91Å
94F91.3Very high84Confident40 Ų4060 Ų6018%0.17533%0.329CS..Hα-helixtrans-55.3-58.7172.8-179.5-98000111.1S92 T96 N97 Q98 S106 D107 P133 A164S92-F94 VanDerWaalsContact C-N 3.25Å; S92-F94 PolarHBondContact O-N 2.88Å; F94-T96 VanDerWaalsContact C-N 3.32Å; F94-T96 PolarHBondContact O-N 3.45Å; F94-N97 PolarHBondContact O-N 3.26Å; F94-Q98 WeakPolarHBondContact O-CG 3.35Å; F94-Q98 PolarHBondContact O-N 3.38Å; F94-S106 VanDerWaalsContact CE2-OG 3.29Å; F94-S106 WeakPolarHBondContact CE2-OG 3.42Å; F94-D107 HydrophobicContact CE1-CB 4.4Å; F94-D107 HydrophobicContact CZ-CB 4.08Å; F94-P133 HydrophobicContact CD1-CB 3.92Å; F94-P133 HydrophobicContact CD1-CG 3.48Å; F94-P133 VanDerWaalsContact CD1-CG 3.48Å; F94-P133 HydrophobicContact CD2-CG 4.29Å; F94-P133 HydrophobicContact CE1-CB 3.86Å; F94-P133 HydrophobicContact CE1-CG 3.18Å; F94-P133 HydrophobicContact CE2-CG 4.09Å; F94-P133 HydrophobicContact CG-CG 4.02Å; F94-P133 HydrophobicContact CZ-CG 3.54Å; F94-A164 WeakPolarHBondContact CB-O 3.5Å; F94-A164 PolarHBondContact N-O 3.47Å
95T89.1Confident82.6Confident29 Ų2963.2 Ų63.218%0.17835%0.349CS..Hα-helixtrans-65.2-35.3-179.2-56.20000112.1K91 S92 D167K91-T95 HydrophobicContact CD-CG2 4.07Å; S92-T95 PolarHBondContact O-N 2.91Å; S92-T95 PolarHBondContact OG-N 3.5Å; S92-T95 VanDerWaalsContact OG-N 3.16Å; S92-T95 PolarHBondContact OG-OG1 2.89Å; S92-T95 VanDerWaalsContact OG-OG1 3.12Å; T95-D167 WeakPolarHBondContact CB-OD2 3.31Å; T95-D167 WeakPolarHBondContact CG2-OD2 3.36Å; T95-D167 VanDerWaalsContact OG1-CG 3.32Å; T95-D167 PolarHBondContact OG1-OD1 3.35Å; T95-D167 PolarHBondContact OG1-OD2 2.83Å
96T88.6Confident81.2Confident47 Ų4765 Ų6529%0.28836%0.361SS..Hα-helixtrans-67.5-38.5178.4-60.70000112.2R66 S92 D93 F94R66-T96 VanDerWaalsContact NH1-CG2 3.32Å; R66-T96 PolarHBondContact NH1-OG1 2.88Å; S92-T96 WeakPolarHBondContact O-CB 3.3Å; S92-T96 PolarHBondContact O-N 2.84Å; S92-T96 PolarHBondContact O-OG1 3.27Å; D93-T96 PolarHBondContact O-N 3.43Å; F94-T96 VanDerWaalsContact C-N 3.32Å; F94-T96 PolarHBondContact O-N 3.45Å
97N85.9Confident80.5Confident125 Ų12565.2 Ų65.267%0.66836%0.363SS*.Hα-helixtrans-88-5.8-174.7-67.3-34.8000113.4D93 F94 K99D93-N97 WeakPolarHBondContact O-CB 3.35Å; D93-N97 PolarHBondContact O-N 2.96Å; D93-N97 PolarHBondContact O-ND2 3.48Å; F94-N97 PolarHBondContact O-N 3.26Å; N97-K99 PolarHBondContact O-N 3.3Å
98Q77.8Confident80.4Confident51 Ų5161.7 Ų61.724%0.23835%0.349CS..PPolyproline II helixtrans-61.1121.8171.9-80.6-178.8-6.100110.4F94 D107F94-Q98 WeakPolarHBondContact O-CG 3.35Å; F94-Q98 PolarHBondContact O-N 3.38Å; Q98-D107 PolarHBondContact NE2-OD1 2.88Å; Q98-D107 PolarHBondContact NE2-OD2 2.91Å
99K67.3Low80.6Confident159 Ų15959.3 Ų59.369%0.69134%0.336SS*.PPolyproline II helixtrans-73.4134.1170.6-70.5-177.3-179.7178.50108.9N97 G101 S102N97-K99 PolarHBondContact O-N 3.3Å; K99-G101 PolarHBondContact O-N 2.86Å; K99-S102 WeakPolarHBondContact O-CB 3.33Å; K99-S102 PolarHBondContact O-N 3.45Å
100P62.7Low80.7Confident136 Ų13659.2 Ų59.288%0.88334%0.336SS*.THydrogen-bonded Turntrans-52.5124172.8-23.732.1000110.7
101G58.6Low80.8Confident76 Ų7658.4 Ų58.478%0.78433%0.332SS*.THydrogen-bonded Turntrans83.32.5-179.400000116.3K99K99-G101 PolarHBondContact O-N 2.86Å
102S61Low81Confident65 Ų6554.1 Ų54.146%0.45531%0.313SS..  trans-97.5103.8173.5169.70000110.6K99 S104K99-S102 WeakPolarHBondContact O-CB 3.33Å; K99-S102 PolarHBondContact O-N 3.45Å; S102-S104 PolarHBondContact O-N 3.33Å
103H60.4Low81.2Confident148 Ų14854.1 Ų54.169%0.68531%0.313SS*.  trans-82.8101.5172-61.3-61.4000110.2
104S66.6Low81.4Confident40 Ų4052.6 Ų52.628%0.2831%0.305SS..  trans-76.1149.4164.868.90000109.4S102 S106 D107S102-S104 PolarHBondContact O-N 3.33Å; S104-S106 WeakPolarHBondContact CB-OG 3.24Å; S104-S106 PolarHBondContact O-N 2.93Å; S104-S106 VanDerWaalsContact O-N 3.16Å; S104-S106 PolarHBondContact OG-OG 2.96Å; S104-D107 WeakPolarHBondContact O-CB 3.37Å; S104-D107 PolarHBondContact O-N 3.29Å; S104-D107 PolarHBondContact OG-N 2.9Å
105N69.2Low81.7Confident104 Ų10450.7 Ų50.756%0.55630%0.296SS*.G310 helixtrans-55.3-35.5174.9-73.9-11.3000111.6D107 I108 L255N105-D107 PolarHBondContact O-N 3.44Å; N105-I108 HydrophobicContact CB-CD1 4.37Å; N105-I108 WeakPolarHBondContact O-CB 3.36Å; N105-I108 VanDerWaalsContact O-CG1 3.32Å; N105-I108 WeakPolarHBondContact O-CG1 3.35Å; N105-I108 PolarHBondContact O-N 2.66Å; N105-I108 VanDerWaalsContact O-N 3.11Å; N105-L255 HydrophobicContact CB-CD2 4.11Å; N105-L255 WeakPolarHBondContact O-CD2 3.47Å
106S69.4Low82Confident41 Ų4149.3 Ų49.329%0.28729%0.288SS..G310 helixtrans-60.1-23.5175.539.70000114.8F94 S104 I108 H251F94-S106 VanDerWaalsContact CE2-OG 3.29Å; F94-S106 WeakPolarHBondContact CE2-OG 3.42Å; S104-S106 WeakPolarHBondContact CB-OG 3.24Å; S104-S106 PolarHBondContact O-N 2.93Å; S104-S106 VanDerWaalsContact O-N 3.16Å; S104-S106 PolarHBondContact OG-OG 2.96Å; S106-I108 VanDerWaalsContact C-N 3.34Å; S106-H251 PolarHBondContact O-NE2 3.28Å
107D81.8Confident82.2Confident10 Ų1047.2 Ų47.25%0.05328%0.275CS..G310 helixtrans-88.71.8178.8-169.734.6000113.2F94 Q98 S104 N105 S234F94-D107 HydrophobicContact CE1-CB 4.4Å; F94-D107 HydrophobicContact CZ-CB 4.08Å; Q98-D107 PolarHBondContact NE2-OD1 2.88Å; Q98-D107 PolarHBondContact NE2-OD2 2.91Å; S104-D107 WeakPolarHBondContact O-CB 3.37Å; S104-D107 PolarHBondContact O-N 3.29Å; S104-D107 PolarHBondContact OG-N 2.9Å; N105-D107 PolarHBondContact O-N 3.44Å; D107-S234 WeakPolarHBondContact O-CA 3.28Å; D107-S234 WeakPolarHBondContact O-CB 3.41Å; D107-S234 PolarHBondContact O-OG 3.28Å; D107-S234 PolarHBondContact OD1-OG 3.19Å
108I91.9Very high82.5Confident27 Ų2741.3 Ų41.314%0.13824%0.243CC..SBendtrans-71.1-40.1-178.8-69174.7000111.3N105 S106 S235 Y236 L255 I258N105-I108 HydrophobicContact CB-CD1 4.37Å; N105-I108 WeakPolarHBondContact O-CB 3.36Å; N105-I108 VanDerWaalsContact O-CG1 3.32Å; N105-I108 WeakPolarHBondContact O-CG1 3.35Å; N105-I108 PolarHBondContact O-N 2.66Å; N105-I108 VanDerWaalsContact O-N 3.11Å; S106-I108 VanDerWaalsContact C-N 3.34Å; I108-S235 PolarHBondContact O-N 3.1Å; I108-Y236 HydrophobicContact CG2-CD2 4.03Å; I108-Y236 PolarHBondContact O-N 2.92Å; I108-L255 HydrophobicContact CB-CD1 4.17Å; I108-L255 HydrophobicContact CB-CG 4.21Å; I108-L255 HydrophobicContact CD1-CG 4.27Å; I108-L255 HydrophobicContact CG2-CD1 4.16Å; I108-L255 HydrophobicContact CG2-CG 4.29Å; I108-I258 HydrophobicContact CG2-CD1 3.54Å
109L96.6Very high83.3Confident0 Ų040 Ų400%024%0.238CC..EExtended strand (participates in β ladder)trans-128.7118.7-176.5177.159000110.8W130 Y236 L238 H251 F254 L255 I346L109-W130 HydrophobicContact CD2-CH2 3.82Å; L109-W130 HydrophobicContact CG-CH2 3.91Å; L109-W130 HydrophobicContact CG-CZ2 4.27Å; L109-Y236 WeakPolarHBondContact CA-O 3.48Å; L109-L238 HydrophobicContact CD1-CB 4.36Å; L109-H251 PolarHBondContact O-CD2 3.44Å; L109-H251 PolarHBondContact O-NE2 3.1Å; L109-H251 VanDerWaalsContact O-NE2 3.09Å; L109-F254 HydrophobicContact CB-CD1 4.36Å; L109-F254 HydrophobicContact CD2-CB 3.94Å; L109-F254 HydrophobicContact CD2-CD1 3.71Å; L109-F254 HydrophobicContact CD2-CG 3.97Å; L109-F254 HydrophobicContact CG-CD1 4.5Å; L109-L255 HydrophobicContact CB-CD1 4Å; L109-I346 HydrophobicContact CD1-CG1 4.35Å; L109-I346 HydrophobicContact CD1-CG2 3.67Å; L109-I346 HydrophobicContact CD2-CD1 4.03Å
110T97.4Very high84.7Confident3 Ų332.4 Ų32.42%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-108.9142.5170.3-74.80000110.2T232 S234 Y236 I237 L238T110-T232 HydrophobicContact CG2-CG2 3.82Å; T110-T232 PolarHBondContact OG1-OG1 3.13Å; T110-T232 VanDerWaalsContact OG1-OG1 3.12Å; T110-S234 WeakPolarHBondContact CB-OG 3.29Å; T110-S234 PolarHBondContact OG1-OG 2.78Å; T110-Y236 PolarHBondContact N-O 3.22Å; T110-Y236 VanDerWaalsContact N-O 3.11Å; T110-I237 WeakPolarHBondContact O-CA 3.39Å; T110-L238 PolarHBondContact O-N 3.46Å
111L98.5Very high86.2Confident0 Ų026.4 Ų26.40%017%0.165CC..EExtended strand (participates in β ladder)trans-90.1123.4167.2-171.4166.6000108.9T113 L126 W130 P133 L134 S135 L238 I240 P246L111-T113 HydrophobicContact CD2-CG2 4.32Å; L111-L126 HydrophobicContact CD1-CD1 4.09Å; L111-L126 HydrophobicContact CD2-CD2 4.33Å; L111-W130 HydrophobicContact CB-CD2 3.93Å; L111-W130 VanDerWaalsContact CB-CE2 3.41Å; L111-W130 HydrophobicContact CB-CG 4.3Å; L111-W130 HydrophobicContact CB-CH2 4.36Å; L111-W130 HydrophobicContact CB-CZ2 3.67Å; L111-W130 HydrophobicContact CD1-CB 4.33Å; L111-W130 HydrophobicContact CD1-CD2 3.65Å; L111-W130 HydrophobicContact CD1-CE3 3.92Å; L111-W130 HydrophobicContact CD1-CG 3.82Å; L111-W130 HydrophobicContact CG-CD2 4.48Å; L111-P133 PolarHBondContact N-O 3.38Å; L111-L134 HydrophobicContact CB-CD1 4.19Å; L111-L134 HydrophobicContact CD1-CD1 4.17Å; L111-L134 HydrophobicContact CD2-CD1 3.67Å; L111-L134 HydrophobicContact CD2-CG 4.34Å; L111-L134 HydrophobicContact CG-CD1 4.22Å; L111-L134 CarbonylContact O-C 3.51Å; L111-L134 WeakPolarHBondContact O-CA 3.45Å; L111-S135 PolarHBondContact O-N 3.32Å; L111-L238 WeakPolarHBondContact CA-O 3.33Å; L111-I240 HydrophobicContact CD1-CD1 3.74Å; L111-I240 HydrophobicContact CD1-CG1 4.23Å; L111-I240 HydrophobicContact CD2-CD1 4.08Å; L111-I240 HydrophobicContact CD2-CG1 3.72Å; L111-I240 HydrophobicContact CG-CD1 4.15Å; L111-I240 HydrophobicContact CG-CG1 4.07Å; L111-P246 HydrophobicContact CD1-CG 4.37Å
112A98.6Very high87.9Confident0 Ų024.5 Ų24.50%014%0.136CC..EExtended strand (participates in β ladder)trans-107.2131.3174.500000109.6S135 A228 I237 L238 V239 I240A112-S135 WeakPolarHBondContact CA-O 3.44Å; A112-A228 HydrophobicContact CB-CB 3.95Å; A112-I237 HydrophobicContact CB-CG2 3.7Å; A112-L238 PolarHBondContact N-O 3.35Å; A112-V239 HydrophobicContact CB-CG2 4.27Å; A112-V239 WeakPolarHBondContact O-CA 3.45Å; A112-I240 PolarHBondContact O-N 3Å; A112-I240 VanDerWaalsContact O-N 3.15Å
113T98.7Very high89.7Confident0 Ų021.4 Ų21.40%011%0.114CC..EExtended strand (participates in β ladder)trans-139.7165178.6-167.60000111.3L111 L126 S135 V136 A137 A228 I240 I242L111-T113 HydrophobicContact CD2-CG2 4.32Å; T113-L126 HydrophobicContact CG2-CD2 4.36Å; T113-S135 PolarHBondContact N-O 2.92Å; T113-V136 HydrophobicContact CG2-CB 4.41Å; T113-V136 HydrophobicContact CG2-CG1 4.28Å; T113-V136 HydrophobicContact CG2-CG2 3.9Å; T113-V136 WeakPolarHBondContact O-CA 3.48Å; T113-A137 PolarHBondContact O-N 3.45Å; T113-A228 WeakPolarHBondContact O-CB 3.45Å; T113-I240 WeakPolarHBondContact CA-O 3.24Å; T113-I240 VanDerWaalsContact CB-O 3.31Å; T113-I240 WeakPolarHBondContact CB-O 3.42Å; T113-I240 PolarHBondContact OG1-O 3.28Å; T113-I242 HydrophobicContact CG2-CD1 3.49Å; T113-I242 VanDerWaalsContact CG2-CD1 3.49Å; T113-I242 WeakPolarHBondContact OG1-CA 3.39Å; T113-I242 PolarHBondContact OG1-N 2.99Å
114H98.3Very high91.3Very high4 Ų417.7 Ų17.72%0.01910%0.097CC..EExtended strand (participates in β ladder)trans-138.4148.6-179.661.691.2000110.7A137 Y219 L224 R225 D241H114-A137 CarbonylContact C-O 3.56Å; H114-A137 VanDerWaalsContact CA-O 3.23Å; H114-A137 WeakPolarHBondContact CA-O 3.48Å; H114-A137 HydrophobicContact CB-CB 4.46Å; H114-Y219 AromaticContact CE1-CE1 3.96Å; H114-Y219 AromaticContact ND1-CE1 3.67Å; H114-Y219 AromaticContact ND1-CZ 3.57Å; H114-Y219 PolarHBondContact ND1-OH 2.88Å; H114-L224 HydrophobicContact CB-CB 3.45Å; H114-L224 VanDerWaalsContact CB-CB 3.45Å; H114-L224 HydrophobicContact CB-CD1 4.26Å; H114-L224 HydrophobicContact CB-CG 4.44Å; H114-R225 WeakPolarHBondContact CD2-CG 3.18Å; H114-R225 PolarHBondContact NE2-NE 3.46Å; H114-R225 VanDerWaalsContact NE2-NE 3.12Å; H114-D241 IonicContact NE2-OD1 2.75Å
115T97.5Very high92.7Very high0 Ų017.1 Ų17.10%09%0.093CC..EExtended strand (participates in β ladder)trans-157.1170.2-175.4-167.40000111.8N119 L120 V136 A137 I138 F139 Y219T115-N119 WeakPolarHBondContact OG1-CB 3.5Å; T115-L120 HydrophobicContact CG2-CB 4.4Å; T115-L120 HydrophobicContact CG2-CD1 3.82Å; T115-V136 HydrophobicContact CG2-CG1 4.06Å; T115-A137 PolarHBondContact N-O 3.24Å; T115-I138 HydrophobicContact CG2-CG1 3.91Å; T115-I138 CarbonylContact O-C 3.57Å; T115-I138 WeakPolarHBondContact O-CA 3.2Å; T115-F139 PolarHBondContact O-N 3.03Å; T115-Y219 VanDerWaalsContact CA-OH 3.24Å; T115-Y219 WeakPolarHBondContact CA-OH 3.33Å; T115-Y219 PolarHBondContact N-OH 2.73Å
116T95.6Very high94Very high0 Ų012.2 Ų12.20%07%0.066CC..EExtended strand (participates in β ladder)trans-100162.7158.346.50000108.8N118 N119 L120 F139 Y211 M213 Y219T116-N118 WeakPolarHBondContact CB-OD1 3.31Å; T116-N118 PolarHBondContact O-N 2.88Å; T116-N118 VanDerWaalsContact O-N 3.13Å; T116-N118 PolarHBondContact OG1-OD1 2.67Å; T116-N119 PolarHBondContact O-N 2.9Å; T116-N119 PolarHBondContact OG1-ND2 3Å; T116-N119 VanDerWaalsContact OG1-ND2 3.09Å; T116-L120 PolarHBondContact O-N 2.87Å; T116-F139 WeakPolarHBondContact CA-O 3.33Å; T116-F139 HydrophobicContact CG2-CB 4.29Å; T116-F139 HydrophobicContact CG2-CD1 4.29Å; T116-Y211 HydrophobicContact CG2-CD1 3.74Å; T116-Y211 HydrophobicContact CG2-CE1 4.42Å; T116-Y211 WeakPolarHBondContact OG1-CD1 3.46Å; T116-M213 HydrophobicContact CG2-SD 3.84Å; T116-Y219 HydrophobicContact CG2-CD2 3.98Å; T116-Y219 HydrophobicContact CG2-CE2 3.72Å
117I93.3Very high95.3Very high2 Ų210.4 Ų10.41%0.015%0.054CC..G310 helixtrans-58.6-31.9-177.3-167.254.6000113.3N119 L120 I138 D144 F147 A148 L151 L201I117-N119 VanDerWaalsContact C-N 3.3Å; I117-N119 PolarHBondContact O-N 2.73Å; I117-L120 HydrophobicContact CD1-CB 4.27Å; I117-L120 HydrophobicContact CD1-CD2 3.6Å; I117-L120 WeakPolarHBondContact O-CB 3.46Å; I117-L120 PolarHBondContact O-N 2.83Å; I117-I138 HydrophobicContact CB-CG2 4.5Å; I117-D144 HydrophobicContact CG2-CB 3.87Å; I117-F147 HydrophobicContact CG1-CD1 3.55Å; I117-F147 HydrophobicContact CG1-CE1 3.75Å; I117-F147 HydrophobicContact CG2-CD1 4.13Å; I117-A148 HydrophobicContact CB-CB 4.12Å; I117-A148 HydrophobicContact CD1-CB 3.99Å; I117-A148 HydrophobicContact CG1-CB 4Å; I117-L151 HydrophobicContact CD1-CB 4.49Å; I117-L201 HydrophobicContact CD1-CD2 3.8Å; I117-L201 HydrophobicContact CG1-CD2 4.32Å
118N91.5Very high96Very high1 Ų115.6 Ų15.61%0.0058%0.078CC..G310 helixtrans-70.2-22.3177.665.2-61.3000113.9T116 H121 H204 R205 Y208T116-N118 WeakPolarHBondContact CB-OD1 3.31Å; T116-N118 PolarHBondContact O-N 2.88Å; T116-N118 VanDerWaalsContact O-N 3.13Å; T116-N118 PolarHBondContact OG1-OD1 2.67Å; N118-H121 PolarHBondContact O-CE1 3.22Å; N118-H121 VanDerWaalsContact O-CE1 3.24Å; N118-H121 PolarHBondContact O-ND1 3.32Å; N118-H204 WeakPolarHBondContact CB-O 3.47Å; N118-R205 PolarHBondContact ND2-O 2.75Å; N118-R205 WeakPolarHBondContact O-CA 3.23Å; N118-Y208 PolarHBondContact ND2-O 3.45Å; N118-Y208 VanDerWaalsContact ND2-O 3.1Å
119N94.3Very high96.2Very high24 Ų2416.9 Ų16.913%0.1288%0.081CC..G310 helixtrans-98.92.9176.8-70.2-61.6000112.7T115 T116 I117 H121 H122 Y211 I242T115-N119 WeakPolarHBondContact OG1-CB 3.5Å; T116-N119 PolarHBondContact O-N 2.9Å; T116-N119 PolarHBondContact OG1-ND2 3Å; T116-N119 VanDerWaalsContact OG1-ND2 3.09Å; I117-N119 VanDerWaalsContact C-N 3.3Å; I117-N119 PolarHBondContact O-N 2.73Å; N119-H121 PolarHBondContact O-N 3.43Å; N119-H122 PolarHBondContact O-CD2 2.83Å; N119-H122 PolarHBondContact O-N 3.49Å; N119-Y211 HydrophobicContact CB-CE1 4.29Å; N119-Y211 WeakPolarHBondContact ND2-CE1 3.37Å; N119-I242 HydrophobicContact CB-CG2 4.15Å
120L95.9Very high96.2Very high0 Ų017.3 Ų17.30%08%0.082CC..G310 helixtrans-69.2-19.6-177.1-171.462.7000113T115 T116 I117 H122 L123 V136 I138 V152 L155 F168 L201T115-L120 HydrophobicContact CG2-CB 4.4Å; T115-L120 HydrophobicContact CG2-CD1 3.82Å; T116-L120 PolarHBondContact O-N 2.87Å; I117-L120 HydrophobicContact CD1-CB 4.27Å; I117-L120 HydrophobicContact CD1-CD2 3.6Å; I117-L120 WeakPolarHBondContact O-CB 3.46Å; I117-L120 PolarHBondContact O-N 2.83Å; L120-H122 PolarHBondContact O-N 3.14Å; L120-L123 HydrophobicContact CD1-CB 4.24Å; L120-L123 HydrophobicContact CD1-CD2 3.97Å; L120-L123 WeakPolarHBondContact O-CB 3.32Å; L120-L123 PolarHBondContact O-N 2.78Å; L120-V136 HydrophobicContact CD1-CG1 4.22Å; L120-I138 HydrophobicContact CD1-CD1 4.15Å; L120-I138 HydrophobicContact CD1-CG1 4.45Å; L120-I138 HydrophobicContact CD2-CD1 3.93Å; L120-V152 HydrophobicContact CD2-CG2 4.35Å; L120-L155 HydrophobicContact CD2-CD1 3.76Å; L120-L155 HydrophobicContact CG-CD1 4.4Å; L120-F168 HydrophobicContact CD1-CE1 4.28Å; L120-L201 HydrophobicContact CB-CD1 4.4Å; L120-L201 HydrophobicContact CB-CD2 4.42Å; L120-L201 HydrophobicContact CD2-CD1 4.21Å; L120-L201 HydrophobicContact CD2-CD2 4.31Å; L120-L201 HydrophobicContact CG-CD1 4.21Å
121H94.7Very high96.2Very high9 Ų923.1 Ų23.14%0.04211%0.109CC..G310 helixtrans-57.7-29.8176.563.5-82.1000112.9N118 N119 L123 E124 L201 E202N118-H121 PolarHBondContact O-CE1 3.22Å; N118-H121 VanDerWaalsContact O-CE1 3.24Å; N118-H121 PolarHBondContact O-ND1 3.32Å; N119-H121 PolarHBondContact O-N 3.43Å; H121-L123 PolarHBondContact O-N 2.93Å; H121-L123 VanDerWaalsContact O-N 3.12Å; H121-E124 PolarHBondContact O-N 2.87Å; H121-L201 HydrophobicContact CB-CB 4.21Å; H121-E202 HydrophobicContact CB-CG 4.08Å; H121-E202 WeakPolarHBondContact CB-OE1 3.19Å; H121-E202 IonicContact CD2-OE1 3.95Å; H121-E202 PolarHBondContact CD2-OE1 3.27Å; H121-E202 IonicContact CD2-OE2 3.37Å; H121-E202 IonicContact CG-OE1 3.03Å; H121-E202 IonicContact CG-OE2 3.65Å
122H95.2Very high96Very high37 Ų3723.9 Ų23.917%0.17111%0.113CC..G310 helixtrans-60.3-22174.8-68.7-49.5000114.4N119 L120 E124 S125 L126 I242N119-H122 PolarHBondContact O-CD2 2.83Å; N119-H122 PolarHBondContact O-N 3.49Å; L120-H122 PolarHBondContact O-N 3.14Å; H122-E124 PolarHBondContact O-N 3.47Å; H122-S125 PolarHBondContact O-N 3.06Å; H122-S125 PolarHBondContact O-OG 3.12Å; H122-S125 VanDerWaalsContact O-OG 3.14Å; H122-L126 PolarHBondContact O-N 3.11Å; H122-L126 VanDerWaalsContact O-N 3.14Å; H122-I242 HydrophobicContact CB-CG1 3.94Å; H122-I242 HydrophobicContact CB-CG2 4.48Å; H122-I242 WeakPolarHBondContact CB-O 3.48Å
123L97.4Very high95.9Very high0 Ų024.1 Ų24.10%012%0.115CC..Hα-helixtrans-56.2-34.8-179.8-18061.9000112.8L120 H121 L126 L127 L134 V136 I162 F168 F198L120-L123 HydrophobicContact CD1-CB 4.24Å; L120-L123 HydrophobicContact CD1-CD2 3.97Å; L120-L123 WeakPolarHBondContact O-CB 3.32Å; L120-L123 PolarHBondContact O-N 2.78Å; H121-L123 PolarHBondContact O-N 2.93Å; H121-L123 VanDerWaalsContact O-N 3.12Å; L123-L126 PolarHBondContact O-N 3.11Å; L123-L127 HydrophobicContact CD1-CD1 3.92Å; L123-L127 HydrophobicContact CD1-CG 3.88Å; L123-L127 HydrophobicContact CD2-CD1 4.41Å; L123-L127 HydrophobicContact CG-CD1 3.82Å; L123-L127 HydrophobicContact CG-CG 4.24Å; L123-L127 WeakPolarHBondContact O-CB 3.21Å; L123-L127 WeakPolarHBondContact O-CG 3.46Å; L123-L127 PolarHBondContact O-N 2.99Å; L123-L134 HydrophobicContact CD1-CD2 3.34Å; L123-V136 HydrophobicContact CD1-CG2 4.19Å; L123-I162 HydrophobicContact CD2-CD1 4.16Å; L123-F168 HydrophobicContact CD2-CE1 3.9Å; L123-F168 HydrophobicContact CD2-CZ 3.75Å; L123-F198 HydrophobicContact CB-CE1 4.31Å
124E95.9Very high95.9Very high70 Ų7024.2 Ų24.233%0.32712%0.116SC..Hα-helixtrans-57.1-58.6179.3-170.9170.6-140.600110.6H121 H122 L126 L127 E128 F198H121-E124 PolarHBondContact O-N 2.87Å; H122-E124 PolarHBondContact O-N 3.47Å; E124-L126 VanDerWaalsContact C-N 3.28Å; E124-L126 PolarHBondContact O-N 3.04Å; E124-L127 PolarHBondContact O-N 3.12Å; E124-E128 WeakPolarHBondContact O-CG 3.31Å; E124-E128 PolarHBondContact O-N 3.35Å; E124-E128 VanDerWaalsContact O-N 3.07Å; E124-F198 HydrophobicContact CB-CD1 3.92Å; E124-F198 HydrophobicContact CB-CD2 4.14Å; E124-F198 HydrophobicContact CB-CE1 3.64Å; E124-F198 HydrophobicContact CB-CE2 3.85Å; E124-F198 HydrophobicContact CB-CG 4.17Å; E124-F198 HydrophobicContact CB-CZ 3.59Å; E124-F198 HydrophobicContact CG-CD2 4.09Å; E124-F198 HydrophobicContact CG-CE2 3.96Å; E124-F198 HydrophobicContact CG-CG 4.44Å; E124-F198 HydrophobicContact CG-CZ 4.22Å
125S95Very high95.9Very high28 Ų2824.1 Ų24.120%0.19612%0.115CC..Hα-helixtrans-66.3-30.1-179.272.80000113.2H122 R129 M245H122-S125 PolarHBondContact O-N 3.06Å; H122-S125 PolarHBondContact O-OG 3.12Å; H122-S125 VanDerWaalsContact O-OG 3.14Å; S125-R129 PolarHBondContact O-N 2.86Å; S125-M245 WeakPolarHBondContact O-CE 3.46Å
126L97.5Very high95.9Very high0 Ų024.1 Ų24.10%012%0.115CC..Hα-helixtrans-69-41.7176.7179.958.8000111L111 T113 H122 L123 E124 R129 W130 L134 I240 I242 M245L111-L126 HydrophobicContact CD1-CD1 4.09Å; L111-L126 HydrophobicContact CD2-CD2 4.33Å; T113-L126 HydrophobicContact CG2-CD2 4.36Å; H122-L126 PolarHBondContact O-N 3.11Å; H122-L126 VanDerWaalsContact O-N 3.14Å; L123-L126 PolarHBondContact O-N 3.11Å; E124-L126 VanDerWaalsContact C-N 3.28Å; E124-L126 PolarHBondContact O-N 3.04Å; L126-R129 PolarHBondContact O-N 2.64Å; L126-W130 VanDerWaalsContact O-CB 3.23Å; L126-W130 WeakPolarHBondContact O-CB 3.32Å; L126-W130 PolarHBondContact O-N 3.12Å; L126-L134 HydrophobicContact CD2-CD1 3.9Å; L126-L134 HydrophobicContact CG-CD1 4.06Å; L126-I240 HydrophobicContact CD1-CD1 4.05Å; L126-I242 HydrophobicContact CD2-CD1 3.91Å; L126-M245 HydrophobicContact CD1-SD 4.32Å
127L96.4Very high96.1Very high4 Ų424.1 Ų24.12%0.02112%0.115CC..Hα-helixtrans-66.7-40.9176.7-77.5171.5000112.5L123 E124 R129 W130 Q131 L134 I162 V166L123-L127 HydrophobicContact CD1-CD1 3.92Å; L123-L127 HydrophobicContact CD1-CG 3.88Å; L123-L127 HydrophobicContact CD2-CD1 4.41Å; L123-L127 HydrophobicContact CG-CD1 3.82Å; L123-L127 HydrophobicContact CG-CG 4.24Å; L123-L127 WeakPolarHBondContact O-CB 3.21Å; L123-L127 WeakPolarHBondContact O-CG 3.46Å; L123-L127 PolarHBondContact O-N 2.99Å; E124-L127 PolarHBondContact O-N 3.12Å; L127-R129 PolarHBondContact O-N 2.89Å; L127-W130 PolarHBondContact O-N 3.47Å; L127-Q131 WeakPolarHBondContact O-CG 3.01Å; L127-Q131 PolarHBondContact O-N 3.24Å; L127-L134 HydrophobicContact CD2-CB 4.31Å; L127-L134 HydrophobicContact CD2-CD1 4.45Å; L127-L134 HydrophobicContact CD2-CD2 4.18Å; L127-I162 HydrophobicContact CD1-CD1 4.4Å; L127-I162 HydrophobicContact CD1-CG1 3.56Å; L127-V166 HydrophobicContact CD1-CG2 3.73Å; L127-V166 HydrophobicContact CD2-CG2 3.61Å; L127-V166 HydrophobicContact CG-CG2 4.22Å
128E95.7Very high96.3Very high118 Ų11824 Ų2455%0.55112%0.115SC*.Hα-helixtrans-56.1-37.2173.6-72.1179.216600112.1E124 Q131E124-E128 WeakPolarHBondContact O-CG 3.31Å; E124-E128 PolarHBondContact O-N 3.35Å; E124-E128 VanDerWaalsContact O-N 3.07Å; E128-Q131 WeakPolarHBondContact O-CG 3.14Å; E128-Q131 PolarHBondContact O-NE2 2.94Å
129R96.6Very high96.6Very high55 Ų5524 Ų2421%0.20811%0.114CC..Hα-helixtrans-78.1-44.4176.4177.664.167.3-16712.3113.2S125 L126 L127 M245 P246 I282 S284S125-R129 PolarHBondContact O-N 2.86Å; L126-R129 PolarHBondContact O-N 2.64Å; L127-R129 PolarHBondContact O-N 2.89Å; R129-M245 HydrophobicContact CB-CG 4.38Å; R129-M245 HydrophobicContact CB-SD 3.22Å; R129-M245 WeakPolarHBondContact CB-SD 3.18Å; R129-M245 HydrophobicContact CG-CG 4.04Å; R129-M245 HydrophobicContact CG-SD 3.44Å; R129-M245 WeakPolarHBondContact CG-SD 3.32Å; R129-P246 WeakPolarHBondContact CD-O 3.12Å; R129-P246 HydrophobicContact CG-CG 4.04Å; R129-P246 WeakPolarHBondContact CG-O 3.14Å; R129-I282 PolarHBondContact NH2-O 2.77Å; R129-S284 PolarHBondContact NH1-OG 2.85Å; R129-S284 PolarHBondContact NH2-OG 3.38Å
130W96.8Very high96.7Very high8 Ų822.9 Ų22.93%0.0311%0.108CC..Hα-helixtrans-82.8-43.5-167.1-179.6-119.5000113L109 L111 L126 L127 N132 P133 L134 P246 L250 H251L109-W130 HydrophobicContact CD2-CH2 3.82Å; L109-W130 HydrophobicContact CG-CH2 3.91Å; L109-W130 HydrophobicContact CG-CZ2 4.27Å; L111-W130 HydrophobicContact CB-CD2 3.93Å; L111-W130 VanDerWaalsContact CB-CE2 3.41Å; L111-W130 HydrophobicContact CB-CG 4.3Å; L111-W130 HydrophobicContact CB-CH2 4.36Å; L111-W130 HydrophobicContact CB-CZ2 3.67Å; L111-W130 HydrophobicContact CD1-CB 4.33Å; L111-W130 HydrophobicContact CD1-CD2 3.65Å; L111-W130 HydrophobicContact CD1-CE3 3.92Å; L111-W130 HydrophobicContact CD1-CG 3.82Å; L111-W130 HydrophobicContact CG-CD2 4.48Å; L126-W130 VanDerWaalsContact O-CB 3.23Å; L126-W130 WeakPolarHBondContact O-CB 3.32Å; L126-W130 PolarHBondContact O-N 3.12Å; L127-W130 PolarHBondContact O-N 3.47Å; W130-N132 HydrophobicContact CD2-CB 4.22Å; W130-N132 HydrophobicContact CG-CB 4.38Å; W130-N132 HydrophobicContact CZ2-CB 4.09Å; W130-N132 PolarHBondContact NE1-O 3.19Å; W130-N132 PolarHBondContact O-N 2.91Å; W130-N132 PolarHBondContact O-ND2 2.92Å; W130-P133 PolarHBondContact NE1-O 2.94Å; W130-L134 HydrophobicContact CG-CD1 4.39Å; W130-P246 HydrophobicContact CE3-CG 4.22Å; W130-L250 HydrophobicContact CZ3-CB 4.21Å; W130-L250 HydrophobicContact CZ3-CD2 4.27Å; W130-L250 HydrophobicContact CZ3-CG 4.32Å; W130-H251 HydrophobicContact CH2-CB 3.73Å; W130-H251 AromaticContact CH2-CD2 3.94Å; W130-H251 HydrophobicContact CZ2-CB 4.23Å; W130-H251 AromaticContact CZ2-CD2 3.75Å; W130-H251 HydrophobicContact CZ3-CB 3.95Å
131Q95.9Very high96.6Very high125 Ų12524.7 Ų24.758%0.58412%0.117SC*.  trans47.528.4176.9-60179.945.900115.5L127 E128L127-Q131 WeakPolarHBondContact O-CG 3.01Å; L127-Q131 PolarHBondContact O-N 3.24Å; E128-Q131 WeakPolarHBondContact O-CG 3.14Å; E128-Q131 PolarHBondContact O-NE2 2.94Å
132N96.3Very high96.5Very high16 Ų1625.9 Ų25.99%0.08613%0.131CC..SBendtrans-142.2174.3-176.7-80.2-75.1000109.9W130 L134 H251 Q252W130-N132 HydrophobicContact CD2-CB 4.22Å; W130-N132 HydrophobicContact CG-CB 4.38Å; W130-N132 HydrophobicContact CZ2-CB 4.09Å; W130-N132 PolarHBondContact NE1-O 3.19Å; W130-N132 PolarHBondContact O-N 2.91Å; W130-N132 PolarHBondContact O-ND2 2.92Å; N132-L134 PolarHBondContact O-N 3.48Å; N132-H251 HydrophobicContact CB-CB 4.3Å; N132-H251 VanDerWaalsContact CG-CG 3.43Å; N132-H251 WeakPolarHBondContact ND2-CB 3.32Å; N132-H251 PolarHBondContact OD1-CE1 3.24Å; N132-H251 PolarHBondContact OD1-ND1 2.86Å; N132-Q252 PolarHBondContact ND2-NE2 3.34Å
133P95.9Very high96.2Very high5 Ų530.9 Ų30.93%0.03216%0.155CC..  trans-54.3133.7-177.8-27.736.8000112.9F94 L111 W130F94-P133 HydrophobicContact CD1-CB 3.92Å; F94-P133 HydrophobicContact CD1-CG 3.48Å; F94-P133 VanDerWaalsContact CD1-CG 3.48Å; F94-P133 HydrophobicContact CD2-CG 4.29Å; F94-P133 HydrophobicContact CE1-CB 3.86Å; F94-P133 HydrophobicContact CE1-CG 3.18Å; F94-P133 HydrophobicContact CE2-CG 4.09Å; F94-P133 HydrophobicContact CG-CG 4.02Å; F94-P133 HydrophobicContact CZ-CG 3.54Å; L111-P133 PolarHBondContact N-O 3.38Å; W130-P133 PolarHBondContact NE1-O 2.94Å
134L97.6Very high96Very high3 Ų331.1 Ų31.12%0.01616%0.156CC..EExtended strand (participates in β ladder)trans-138.1124.5-172.3-173.1121.8000110.3L111 L123 L126 L127 W130 N132 V136 L165 V166 D167L111-L134 HydrophobicContact CB-CD1 4.19Å; L111-L134 HydrophobicContact CD1-CD1 4.17Å; L111-L134 HydrophobicContact CD2-CD1 3.67Å; L111-L134 HydrophobicContact CD2-CG 4.34Å; L111-L134 HydrophobicContact CG-CD1 4.22Å; L111-L134 CarbonylContact O-C 3.51Å; L111-L134 WeakPolarHBondContact O-CA 3.45Å; L123-L134 HydrophobicContact CD1-CD2 3.34Å; L126-L134 HydrophobicContact CD2-CD1 3.9Å; L126-L134 HydrophobicContact CG-CD1 4.06Å; L127-L134 HydrophobicContact CD2-CB 4.31Å; L127-L134 HydrophobicContact CD2-CD1 4.45Å; L127-L134 HydrophobicContact CD2-CD2 4.18Å; W130-L134 HydrophobicContact CG-CD1 4.39Å; N132-L134 PolarHBondContact O-N 3.48Å; L134-V136 HydrophobicContact CD2-CG2 3.27Å; L134-V136 HydrophobicContact CG-CG2 4.26Å; L134-L165 PolarHBondContact N-O 2.94Å; L134-V166 HydrophobicContact CB-CG2 4.42Å; L134-V166 HydrophobicContact CD2-CG1 4.14Å; L134-V166 HydrophobicContact CD2-CG2 3.95Å; L134-V166 WeakPolarHBondContact O-CA 3.48Å; L134-D167 PolarHBondContact O-N 3.47Å
135S98.4Very high95.9Very high1 Ų128 Ų281%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-107128176.2172.80000110.6L111 A112 T113 H169 A228L111-S135 PolarHBondContact O-N 3.32Å; A112-S135 WeakPolarHBondContact CA-O 3.44Å; T113-S135 PolarHBondContact N-O 2.92Å; S135-H169 PolarHBondContact OG-CD2 2.89Å; S135-H169 PolarHBondContact OG-NE2 3.27Å; S135-A228 WeakPolarHBondContact CB-O 3.27Å; S135-A228 WeakPolarHBondContact OG-CA 3.38Å; S135-A228 PolarHBondContact OG-O 3.01Å
136V98.8Very high95.8Very high0 Ų030.7 Ų30.70%015%0.15CC..EExtended strand (participates in β ladder)trans-123.7117.5-174.2-171.80000110.5T113 T115 L120 L123 L134 I138 V166 D167 F168 H169T113-V136 HydrophobicContact CG2-CB 4.41Å; T113-V136 HydrophobicContact CG2-CG1 4.28Å; T113-V136 HydrophobicContact CG2-CG2 3.9Å; T113-V136 WeakPolarHBondContact O-CA 3.48Å; T115-V136 HydrophobicContact CG2-CG1 4.06Å; L120-V136 HydrophobicContact CD1-CG1 4.22Å; L123-V136 HydrophobicContact CD1-CG2 4.19Å; L134-V136 HydrophobicContact CD2-CG2 3.27Å; L134-V136 HydrophobicContact CG-CG2 4.26Å; V136-I138 HydrophobicContact CG1-CG1 3.96Å; V136-V166 HydrophobicContact CG2-CG1 3.84Å; V136-D167 PolarHBondContact N-O 2.83Å; V136-F168 HydrophobicContact CB-CD1 3.89Å; V136-F168 HydrophobicContact CB-CE1 4.12Å; V136-F168 HydrophobicContact CG1-CD1 4.29Å; V136-F168 HydrophobicContact CG1-CE1 4.33Å; V136-F168 HydrophobicContact CG2-CD1 4.47Å; V136-F168 HydrophobicContact CG2-CE1 4.3Å; V136-H169 PolarHBondContact O-N 2.9Å
137A98.8Very high95.6Very high0 Ų031 Ų310%015%0.151CC..EExtended strand (participates in β ladder)trans-96.2120.4168.600000111.1T113 H114 T115 H169 L224 V227 A228T113-A137 PolarHBondContact O-N 3.45Å; H114-A137 CarbonylContact C-O 3.56Å; H114-A137 VanDerWaalsContact CA-O 3.23Å; H114-A137 WeakPolarHBondContact CA-O 3.48Å; H114-A137 HydrophobicContact CB-CB 4.46Å; T115-A137 PolarHBondContact N-O 3.24Å; A137-H169 HydrophobicContact CB-CB 4.47Å; A137-L224 HydrophobicContact CB-CB 4.02Å; A137-L224 HydrophobicContact CB-CD2 3.99Å; A137-L224 VanDerWaalsContact CB-O 3.27Å; A137-L224 WeakPolarHBondContact CB-O 3.47Å; A137-V227 HydrophobicContact CB-CB 4.16Å; A137-V227 HydrophobicContact CB-CG1 4Å; A137-A228 HydrophobicContact CB-CB 3.91Å
138I98.4Very high95.5Very high1 Ų130.8 Ų30.81%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-105.7124.6-178.7-58.1166.7000109T115 I117 L120 V136 A148 V152 F168 H169 L170 V171T115-I138 HydrophobicContact CG2-CG1 3.91Å; T115-I138 CarbonylContact O-C 3.57Å; T115-I138 WeakPolarHBondContact O-CA 3.2Å; I117-I138 HydrophobicContact CB-CG2 4.5Å; L120-I138 HydrophobicContact CD1-CD1 4.15Å; L120-I138 HydrophobicContact CD1-CG1 4.45Å; L120-I138 HydrophobicContact CD2-CD1 3.93Å; V136-I138 HydrophobicContact CG1-CG1 3.96Å; I138-A148 HydrophobicContact CG2-CB 4.36Å; I138-V152 HydrophobicContact CD1-CG2 3.36Å; I138-F168 HydrophobicContact CD1-CD1 3.76Å; I138-F168 HydrophobicContact CD1-CE1 4.15Å; I138-H169 PolarHBondContact N-O 2.84Å; I138-L170 HydrophobicContact CB-CD1 4.36Å; I138-L170 HydrophobicContact CG2-CD1 4.34Å; I138-L170 CarbonylContact O-C 3.46Å; I138-L170 WeakPolarHBondContact O-CA 3.32Å; I138-V171 PolarHBondContact O-N 2.81Å
139F97.8Very high95.4Very high0 Ų025.2 Ų25.20%013%0.125CC..EExtended strand (participates in β ladder)trans-91131.7166.9-173.6-119.7000110.7Y83 T115 T116 V171 L173 M213 I217 Y219 P220 L224Y83-F139 AromaticContact CD1-CE2 3.9Å; Y83-F139 HydrophobicContact CD1-CE2 3.9Å; Y83-F139 AromaticContact CE1-CE2 3.83Å; Y83-F139 HydrophobicContact CE1-CE2 3.83Å; Y83-F139 HydrophobicContact CE1-CZ 4.13Å; T115-F139 PolarHBondContact O-N 3.03Å; T116-F139 WeakPolarHBondContact CA-O 3.33Å; T116-F139 HydrophobicContact CG2-CB 4.29Å; T116-F139 HydrophobicContact CG2-CD1 4.29Å; F139-V171 WeakPolarHBondContact CA-O 3.41Å; F139-V171 HydrophobicContact CD2-CB 4.26Å; F139-V171 HydrophobicContact CD2-CG1 4.1Å; F139-V171 WeakPolarHBondContact CD2-O 3.15Å; F139-L173 HydrophobicContact CZ-CD2 4.36Å; F139-M213 HydrophobicContact CD1-CG 4.44Å; F139-M213 HydrophobicContact CE1-CG 4.22Å; F139-I217 HydrophobicContact CE1-CG2 3.99Å; F139-I217 HydrophobicContact CZ-CG2 3.81Å; F139-Y219 HydrophobicContact CB-CD2 4.12Å; F139-Y219 HydrophobicContact CB-CE2 3.82Å; F139-Y219 AromaticContact CD1-CD2 3.85Å; F139-Y219 HydrophobicContact CD1-CD2 3.85Å; F139-Y219 HydrophobicContact CD1-CE2 4.38Å; F139-Y219 HydrophobicContact CG-CD2 4.26Å; F139-Y219 HydrophobicContact CG-CE2 4.46Å; F139-P220 HydrophobicContact CD2-CG 3.78Å; F139-P220 HydrophobicContact CE2-CG 3.92Å; F139-P220 HydrophobicContact CG-CG 4.13Å; F139-P220 HydrophobicContact CZ-CG 4.37Å; F139-L224 HydrophobicContact CB-CD1 3.78Å; F139-L224 HydrophobicContact CB-CD2 3.96Å; F139-L224 HydrophobicContact CB-CG 4.46Å
140A95.6Very high95.3Very high0 Ų022.6 Ų22.60%012%0.115CC..  trans-137.5150.9176.500000110.6D144 V145 A148 L170 V171 C172A140-D144 HydrophobicContact CB-CB 4.2Å; A140-V145 HydrophobicContact CB-CG2 4.06Å; A140-A148 HydrophobicContact CB-CB 3.99Å; A140-L170 HydrophobicContact CB-CD1 3.94Å; A140-V171 PolarHBondContact N-O 2.96Å; A140-C172 WeakPolarHBondContact O-CA 3.48Å; A140-C172 WeakPolarHBondContact O-CB 3.35Å
141H93.9Very high95.2Very high38 Ų3822.3 Ų22.318%0.17611%0.113CC..  trans-144.5142.1-179.1173.454.1000110.6E143 D144 L173 E176 M213 I217H141-E143 PolarHBondContact O-N 2.93Å; H141-D144 WeakPolarHBondContact O-CB 3.45Å; H141-D144 PolarHBondContact O-N 3.27Å; H141-D144 VanDerWaalsContact O-N 3.15Å; H141-L173 WeakPolarHBondContact ND1-CD1 3.34Å; H141-E176 IonicContact CE1-OE1 3.47Å; H141-E176 PolarHBondContact CE1-OE1 3Å; H141-E176 IonicContact CG-OE1 2.78Å; H141-E176 IonicContact ND1-OE1 3.7Å; H141-E176 PolarHBondContact ND1-OE1 2.81Å; H141-E176 IonicContact ND1-OE2 3.06Å; H141-M213 HydrophobicContact CB-CE 4.05Å; H141-I217 WeakPolarHBondContact CD2-CD1 3.29Å; H141-I217 WeakPolarHBondContact CE1-CD1 3.33Å; H141-I217 WeakPolarHBondContact NE2-CD1 3.32Å
142G91.9Very high95.1Very high34 Ų3416.4 Ų16.435%0.3519%0.086SC..THydrogen-bonded Turntrans59-130.8-179.200000111.9D144 V145 E176G142-D144 PolarHBondContact O-N 3.45Å; G142-D144 VanDerWaalsContact O-N 3.14Å; G142-V145 WeakPolarHBondContact O-CB 3.24Å; G142-V145 WeakPolarHBondContact O-CG2 3.47Å; G142-V145 PolarHBondContact O-N 3.13Å; G142-V145 VanDerWaalsContact O-N 3.09Å; G142-E176 WeakPolarHBondContact CA-OE1 3.49Å; G142-E176 PolarHBondContact N-OE1 2.87Å
143E89.4Confident95.1Very high143 Ų14315.9 Ų15.967%0.6688%0.083SC*.Hα-helixtrans-60-23.2178.4-63-57.5138.200113.2H141 V145 K146 F147H141-E143 PolarHBondContact O-N 2.93Å; E143-V145 PolarHBondContact O-N 2.04Å; E143-K146 PolarHBondContact O-N 3.37Å; E143-F147 PolarHBondContact O-N 2.87Å
144D92.4Very high95Very high4 Ų415.6 Ų15.62%0.0218%0.081CC..Hα-helixtrans-69-17.7178.3-68.3-36.8000112.9I117 A140 H141 G142 A148 K207 Y208I117-D144 HydrophobicContact CG2-CB 3.87Å; A140-D144 HydrophobicContact CB-CB 4.2Å; H141-D144 WeakPolarHBondContact O-CB 3.45Å; H141-D144 PolarHBondContact O-N 3.27Å; H141-D144 VanDerWaalsContact O-N 3.15Å; G142-D144 PolarHBondContact O-N 3.45Å; G142-D144 VanDerWaalsContact O-N 3.14Å; D144-A148 WeakPolarHBondContact O-CB 3.42Å; D144-A148 PolarHBondContact O-N 3.35Å; D144-K207 IonicContact OD1-NZ 3.79Å; D144-K207 PolarHBondContact OD1-NZ 3.19Å; D144-K207 IonicContact OD2-NZ 3.52Å; D144-K207 PolarHBondContact OD2-NZ 3.49Å; D144-Y208 WeakPolarHBondContact OD2-CE2 3.18Å; D144-Y208 PolarHBondContact OD2-OH 2.81Å
145V94.8Very high94.9Very high4 Ų415.5 Ų15.52%0.0248%0.081CC..Hα-helixtrans-65.6-45.4177.4179.60000110.4A140 G142 E143 T149 C172 E176 A178A140-V145 HydrophobicContact CB-CG2 4.06Å; G142-V145 WeakPolarHBondContact O-CB 3.24Å; G142-V145 WeakPolarHBondContact O-CG2 3.47Å; G142-V145 PolarHBondContact O-N 3.13Å; G142-V145 VanDerWaalsContact O-N 3.09Å; E143-V145 PolarHBondContact O-N 2.04Å; V145-T149 WeakPolarHBondContact O-CB 2.98Å; V145-T149 PolarHBondContact O-N 3.45Å; V145-T149 VanDerWaalsContact O-N 3.12Å; V145-T149 PolarHBondContact O-OG1 3.28Å; V145-C172 HydrophobicContact CG1-CB 4.44Å; V145-C172 HydrophobicContact CG2-CB 3.78Å; V145-E176 HydrophobicContact CG2-CB 4.43Å; V145-A178 HydrophobicContact CG1-CB 3.94Å
146K92.9Very high94.6Very high85 Ų8515.6 Ų15.637%0.378%0.081SC..Hα-helixtrans-67.7-46.2175.7-66-179.3-177.3173.80110.9E143 A148 T149 A150E143-K146 PolarHBondContact O-N 3.37Å; K146-A148 PolarHBondContact O-N 3.07Å; K146-T149 PolarHBondContact O-N 2.64Å; K146-A150 WeakPolarHBondContact O-CB 3.03Å; K146-A150 PolarHBondContact O-N 2.92Å
147F92.4Very high94.2Very high7 Ų717.3 Ų17.33%0.0319%0.089CC..Hα-helixtrans-59-47.5178.9-173.9-109.7000111.9I117 E143 T149 A150 L151 H187 R200 L201 H204I117-F147 HydrophobicContact CG1-CD1 3.55Å; I117-F147 HydrophobicContact CG1-CE1 3.75Å; I117-F147 HydrophobicContact CG2-CD1 4.13Å; E143-F147 PolarHBondContact O-N 2.87Å; F147-T149 PolarHBondContact O-N 2.82Å; F147-A150 PolarHBondContact O-N 3.39Å; F147-L151 HydrophobicContact CD2-CD2 3.67Å; F147-L151 HydrophobicContact CD2-CG 4.5Å; F147-L151 HydrophobicContact CE1-CD2 4.36Å; F147-L151 HydrophobicContact CE1-CG 4.19Å; F147-L151 HydrophobicContact CE2-CD2 3.32Å; F147-L151 HydrophobicContact CE2-CG 3.94Å; F147-L151 HydrophobicContact CG-CD2 4.32Å; F147-L151 HydrophobicContact CZ-CD2 3.69Å; F147-L151 HydrophobicContact CZ-CG 3.73Å; F147-L151 WeakPolarHBondContact O-CB 3.45Å; F147-L151 WeakPolarHBondContact O-CD2 3.48Å; F147-L151 PolarHBondContact O-N 3.17Å; F147-H187 AromaticContact CD2-CE1 3.71Å; F147-H187 AromaticContact CD2-ND1 3.68Å; F147-R200 HydrophobicContact CZ-CG 4.44Å; F147-L201 HydrophobicContact CE1-CD2 4.43Å; F147-H204 HydrophobicContact CE1-CB 4.1Å; F147-H204 AromaticContact CE1-CD2 3.63Å; F147-H204 AromaticContact CE1-CE1 3.96Å; F147-H204 AromaticContact CE1-CG 3.55Å; F147-H204 AromaticContact CE1-ND1 3.76Å; F147-H204 AromaticContact CE1-NE2 3.91Å; F147-H204 AromaticContact CE2-CE1 3.42Å; F147-H204 VanDerWaalsContact CE2-CE1 3.42Å; F147-H204 WeakPolarHBondContact CE2-CE1 3.43Å; F147-H204 AromaticContact CE2-ND1 3.95Å; F147-H204 AromaticContact CE2-NE2 3.57Å; F147-H204 HydrophobicContact CZ-CB 4.43Å; F147-H204 AromaticContact CZ-CD2 3.68Å; F147-H204 AromaticContact CZ-CE1 3.19Å; F147-H204 WeakPolarHBondContact CZ-CE1 3.45Å; F147-H204 AromaticContact CZ-CG 3.54Å; F147-H204 AromaticContact CZ-ND1 3.22Å; F147-H204 WeakPolarHBondContact CZ-ND1 3.44Å; F147-H204 AromaticContact CZ-NE2 3.49Å; F147-H204 WeakPolarHBondContact CZ-NE2 3.26Å
148A95Very high93.9Very high0 Ų018.5 Ų18.50%09%0.094CC..Hα-helixtrans-60.9-44.217700000111.8I117 I138 A140 D144 K146 A150 L151 V152 L170I117-A148 HydrophobicContact CB-CB 4.12Å; I117-A148 HydrophobicContact CD1-CB 3.99Å; I117-A148 HydrophobicContact CG1-CB 4Å; I138-A148 HydrophobicContact CG2-CB 4.36Å; A140-A148 HydrophobicContact CB-CB 3.99Å; D144-A148 WeakPolarHBondContact O-CB 3.42Å; D144-A148 PolarHBondContact O-N 3.35Å; K146-A148 PolarHBondContact O-N 3.07Å; A148-A150 PolarHBondContact O-N 3.37Å; A148-L151 PolarHBondContact O-N 3.39Å; A148-V152 VanDerWaalsContact O-CB 3.24Å; A148-V152 WeakPolarHBondContact O-CB 3.41Å; A148-V152 WeakPolarHBondContact O-CG2 3.44Å; A148-V152 PolarHBondContact O-N 2.99Å; A148-L170 HydrophobicContact CB-CD1 4.01Å
149T94.6Very high93.8Very high1 Ų118.5 Ų18.51%0.0069%0.094CC..Hα-helixtrans-62.6-43178.6-53.10000111.5L71 V145 K146 F147 Y153 S179L71-T149 HydrophobicContact CD1-CG2 3.89Å; L71-T149 HydrophobicContact CD2-CG2 4.26Å; V145-T149 WeakPolarHBondContact O-CB 2.98Å; V145-T149 PolarHBondContact O-N 3.45Å; V145-T149 VanDerWaalsContact O-N 3.12Å; V145-T149 PolarHBondContact O-OG1 3.28Å; K146-T149 PolarHBondContact O-N 2.64Å; F147-T149 PolarHBondContact O-N 2.82Å; T149-Y153 WeakPolarHBondContact O-CB 3.45Å; T149-Y153 PolarHBondContact O-N 2.92Å; T149-S179 WeakPolarHBondContact CG2-O 3.35Å
150A93.5Very high93.7Very high0 Ų023 Ų230%012%0.123CC..Hα-helixtrans-65.1-47.6177.900000112.8K146 F147 A148 Y153 A154 P181 H187 F188K146-A150 WeakPolarHBondContact O-CB 3.03Å; K146-A150 PolarHBondContact O-N 2.92Å; F147-A150 PolarHBondContact O-N 3.39Å; A148-A150 PolarHBondContact O-N 3.37Å; A150-Y153 WeakPolarHBondContact O-CB 3.42Å; A150-Y153 PolarHBondContact O-N 2.89Å; A150-A154 PolarHBondContact O-N 3.21Å; A150-P181 HydrophobicContact CB-CB 3.83Å; A150-P181 HydrophobicContact CB-CG 4.26Å; A150-H187 HydrophobicContact CB-CB 3.97Å; A150-F188 HydrophobicContact CB-CE2 4.1Å; A150-F188 HydrophobicContact CB-CZ 3.97Å
151L94.4Very high93.7Very high1 Ų127.8 Ų27.81%0.00515%0.146CC..Hα-helixtrans-73.9-35-175.8-87.1-68.9000112.1I117 F147 A148 Y153 A154 L155 H187 V197 R200 L201I117-L151 HydrophobicContact CD1-CB 4.49Å; F147-L151 HydrophobicContact CD2-CD2 3.67Å; F147-L151 HydrophobicContact CD2-CG 4.5Å; F147-L151 HydrophobicContact CE1-CD2 4.36Å; F147-L151 HydrophobicContact CE1-CG 4.19Å; F147-L151 HydrophobicContact CE2-CD2 3.32Å; F147-L151 HydrophobicContact CE2-CG 3.94Å; F147-L151 HydrophobicContact CG-CD2 4.32Å; F147-L151 HydrophobicContact CZ-CD2 3.69Å; F147-L151 HydrophobicContact CZ-CG 3.73Å; F147-L151 WeakPolarHBondContact O-CB 3.45Å; F147-L151 WeakPolarHBondContact O-CD2 3.48Å; F147-L151 PolarHBondContact O-N 3.17Å; A148-L151 PolarHBondContact O-N 3.39Å; L151-Y153 VanDerWaalsContact C-N 3.32Å; L151-Y153 PolarHBondContact O-N 3.42Å; L151-A154 PolarHBondContact O-N 3.31Å; L151-L155 WeakPolarHBondContact O-CB 3.43Å; L151-L155 VanDerWaalsContact O-CG 3.26Å; L151-L155 WeakPolarHBondContact O-CG 3.46Å; L151-L155 PolarHBondContact O-N 3.46Å; L151-H187 HydrophobicContact CD2-CB 4.14Å; L151-V197 HydrophobicContact CD1-CG1 3.69Å; L151-R200 HydrophobicContact CD1-CB 4.26Å; L151-R200 HydrophobicContact CD1-CG 3.98Å; L151-L201 HydrophobicContact CB-CD2 4.07Å; L151-L201 HydrophobicContact CD1-CD2 4.31Å; L151-L201 HydrophobicContact CD1-CG 4.36Å; L151-L201 HydrophobicContact CG-CD2 4.05Å
152V95.3Very high93.9Very high2 Ų226.2 Ų26.21%0.01214%0.138CC..Hα-helixtrans-63.2-40.4172.1167.40000111L89 I90 L120 I138 A148 L155 S156 F168L89-V152 HydrophobicContact CD2-CG1 4.48Å; I90-V152 HydrophobicContact CD1-CG1 3.63Å; I90-V152 HydrophobicContact CG1-CG1 4.1Å; L120-V152 HydrophobicContact CD2-CG2 4.35Å; I138-V152 HydrophobicContact CD1-CG2 3.36Å; A148-V152 VanDerWaalsContact O-CB 3.24Å; A148-V152 WeakPolarHBondContact O-CB 3.41Å; A148-V152 WeakPolarHBondContact O-CG2 3.44Å; A148-V152 PolarHBondContact O-N 2.99Å; V152-L155 PolarHBondContact O-N 3.42Å; V152-S156 WeakPolarHBondContact O-CB 3.28Å; V152-S156 PolarHBondContact O-N 3.06Å; V152-F168 HydrophobicContact CG1-CB 3.68Å; V152-F168 HydrophobicContact CG1-CD1 4.19Å; V152-F168 HydrophobicContact CG1-CD2 3.56Å; V152-F168 HydrophobicContact CG1-CE2 4.16Å; V152-F168 HydrophobicContact CG1-CG 3.56Å; V152-F168 HydrophobicContact CG2-CD1 4.25Å; V152-F168 HydrophobicContact CG2-CE1 4.5Å; V152-F168 HydrophobicContact CG2-CG 4.43Å
153Y94.4Very high94Very high4 Ų427 Ų272%0.01613%0.133CC..Hα-helixtrans-62.2-46.8171.9-179-123.4000111.8L46 L67 T149 A150 L151 L155 S156 F157 F180 F188L46-Y153 HydrophobicContact CD2-CE1 4.17Å; L46-Y153 PolarHBondContact O-OH 3.47Å; L67-Y153 HydrophobicContact CD2-CD2 3.46Å; L67-Y153 VanDerWaalsContact CD2-CD2 3.46Å; L67-Y153 HydrophobicContact CD2-CE2 4.27Å; L67-Y153 HydrophobicContact CD2-CG 3.69Å; T149-Y153 WeakPolarHBondContact O-CB 3.45Å; T149-Y153 PolarHBondContact O-N 2.92Å; A150-Y153 WeakPolarHBondContact O-CB 3.42Å; A150-Y153 PolarHBondContact O-N 2.89Å; L151-Y153 VanDerWaalsContact C-N 3.32Å; L151-Y153 PolarHBondContact O-N 3.42Å; Y153-L155 PolarHBondContact O-N 2.94Å; Y153-S156 PolarHBondContact O-N 3.09Å; Y153-S156 PolarHBondContact O-OG 2.98Å; Y153-F157 WeakPolarHBondContact O-CB 3.46Å; Y153-F157 PolarHBondContact O-N 2.99Å; Y153-F157 VanDerWaalsContact O-N 3.13Å; Y153-F180 HydrophobicContact CE1-CZ 4.27Å; Y153-F188 AromaticContact CD1-CE1 3.97Å; Y153-F188 HydrophobicContact CD1-CE1 3.97Å; Y153-F188 AromaticContact CD1-CZ 3.96Å; Y153-F188 HydrophobicContact CD1-CZ 3.96Å
154A93.8Very high94.3Very high0 Ų022 Ų220%012%0.116CC..Hα-helixtrans-59.2-46.2177.200000112.1A150 L151 S156 F157 F158 F188 L191 V197A150-A154 PolarHBondContact O-N 3.21Å; L151-A154 PolarHBondContact O-N 3.31Å; A154-S156 VanDerWaalsContact C-N 3.34Å; A154-S156 PolarHBondContact O-N 3.16Å; A154-F157 PolarHBondContact O-N 2.98Å; A154-F157 VanDerWaalsContact O-N 3.08Å; A154-F158 HydrophobicContact CB-CD2 4.22Å; A154-F158 WeakPolarHBondContact O-CB 3.45Å; A154-F158 VanDerWaalsContact O-CD2 3.3Å; A154-F158 WeakPolarHBondContact O-CD2 3.42Å; A154-F158 PolarHBondContact O-N 3.18Å; A154-F188 HydrophobicContact CB-CD1 4.33Å; A154-F188 HydrophobicContact CB-CE1 4.01Å; A154-L191 HydrophobicContact CB-CD1 3.88Å; A154-V197 HydrophobicContact CB-CG1 3.98Å; A154-V197 HydrophobicContact CB-CG2 4.23Å
155L95.5Very high94.5Very high0 Ų023.3 Ų23.30%012%0.123CC..Hα-helixtrans-56.8-47.8175.2-73.8173.1000110.9L120 L151 V152 Y153 F157 C159 I162 F168 V197 F198 L201L120-L155 HydrophobicContact CD2-CD1 3.76Å; L120-L155 HydrophobicContact CG-CD1 4.4Å; L151-L155 WeakPolarHBondContact O-CB 3.43Å; L151-L155 VanDerWaalsContact O-CG 3.26Å; L151-L155 WeakPolarHBondContact O-CG 3.46Å; L151-L155 PolarHBondContact O-N 3.46Å; V152-L155 PolarHBondContact O-N 3.42Å; Y153-L155 PolarHBondContact O-N 2.94Å; L155-F157 PolarHBondContact O-N 3.28Å; L155-F157 VanDerWaalsContact O-N 3.12Å; L155-C159 WeakPolarHBondContact O-CB 3.5Å; L155-C159 PolarHBondContact O-N 2.83Å; L155-I162 HydrophobicContact CB-CD1 3.79Å; L155-I162 HydrophobicContact CB-CG2 4.25Å; L155-I162 HydrophobicContact CD1-CD1 4.23Å; L155-I162 HydrophobicContact CD2-CD1 3.59Å; L155-I162 HydrophobicContact CG-CD1 4.06Å; L155-F168 HydrophobicContact CD1-CZ 4.1Å; L155-V197 HydrophobicContact CD2-CB 4.07Å; L155-V197 HydrophobicContact CD2-CG1 3.5Å; L155-V197 HydrophobicContact CG-CG1 3.75Å; L155-F198 HydrophobicContact CD2-CD2 4.4Å; L155-F198 HydrophobicContact CD2-CE1 4.2Å; L155-F198 HydrophobicContact CD2-CE2 4.07Å; L155-F198 HydrophobicContact CD2-CZ 3.96Å; L155-L201 HydrophobicContact CD1-CD1 4.08Å; L155-L201 HydrophobicContact CD2-CD1 4.2Å; L155-L201 HydrophobicContact CG-CD1 4.48Å
156S93Very high94.6Very high3 Ų323.1 Ų23.12%0.02112%0.122CC..Hα-helixtrans-64.9-16.417979.30000114.6R63 I90 V152 Y153 A154R63-S156 PolarHBondContact NH1-O 3.27Å; I90-S156 WeakPolarHBondContact CD1-OG 3.45Å; V152-S156 WeakPolarHBondContact O-CB 3.28Å; V152-S156 PolarHBondContact O-N 3.06Å; Y153-S156 PolarHBondContact O-N 3.09Å; Y153-S156 PolarHBondContact O-OG 2.98Å; A154-S156 VanDerWaalsContact C-N 3.34Å; A154-S156 PolarHBondContact O-N 3.16Å
157F90.6Very high94.9Very high37 Ų3719.4 Ų19.416%0.16211%0.106CC..Hα-helixtrans-99-44.2-179-173.2-88000112.2E45 L46 K60 Y153 A154 L155E45-F157 HydrophobicContact CB-CZ 4.18Å; E45-F157 WeakPolarHBondContact O-CZ 3.45Å; L46-F157 HydrophobicContact CD2-CB 4.18Å; L46-F157 HydrophobicContact CD2-CD1 3.6Å; L46-F157 HydrophobicContact CD2-CD2 4.12Å; L46-F157 HydrophobicContact CD2-CE1 3.94Å; L46-F157 HydrophobicContact CD2-CE2 4.41Å; L46-F157 HydrophobicContact CD2-CG 3.7Å; L46-F157 HydrophobicContact CD2-CZ 4.33Å; L46-F157 HydrophobicContact CG-CD1 4.4Å; L46-F157 HydrophobicContact CG-CE1 4.29Å; K60-F157 HydrophobicContact CD-CE2 4.37Å; Y153-F157 WeakPolarHBondContact O-CB 3.46Å; Y153-F157 PolarHBondContact O-N 2.99Å; Y153-F157 VanDerWaalsContact O-N 3.13Å; A154-F157 PolarHBondContact O-N 2.98Å; A154-F157 VanDerWaalsContact O-N 3.08Å; L155-F157 PolarHBondContact O-N 3.28Å; L155-F157 VanDerWaalsContact O-N 3.12Å
158F93.1Very high95.2Very high25 Ų2519.1 Ų19.111%0.1111%0.105CC..Hα-helixtrans-94.6-17.6-172.9-70.9-71.6000114.2L46 A154 P160 L191 C194 V197L46-F158 HydrophobicContact CD1-CE2 4.12Å; L46-F158 HydrophobicContact CD1-CZ 4.08Å; L46-F158 HydrophobicContact CD2-CE2 3.85Å; L46-F158 HydrophobicContact CD2-CZ 4.17Å; L46-F158 HydrophobicContact CG-CE2 4.33Å; L46-F158 HydrophobicContact CG-CZ 4.22Å; A154-F158 HydrophobicContact CB-CD2 4.22Å; A154-F158 WeakPolarHBondContact O-CB 3.45Å; A154-F158 VanDerWaalsContact O-CD2 3.3Å; A154-F158 WeakPolarHBondContact O-CD2 3.42Å; A154-F158 PolarHBondContact O-N 3.18Å; F158-P160 WeakPolarHBondContact O-CD 3.34Å; F158-L191 HydrophobicContact CE2-CB 4.03Å; F158-L191 HydrophobicContact CZ-CB 4.32Å; F158-C194 WeakPolarHBondContact O-CB 3.35Å; F158-V197 HydrophobicContact CB-CG2 3.88Å; F158-V197 HydrophobicContact CD2-CG2 3.78Å; F158-V197 HydrophobicContact CG-CG2 4.11Å
159C96.1Very high95.3Very high1 Ų119.2 Ų19.21%0.00711%0.105CC..  trans-111.7103.8-173.9-61.20000112.1L155 Q161 I162 Q163 C194L155-C159 WeakPolarHBondContact O-CB 3.5Å; L155-C159 PolarHBondContact O-N 2.83Å; C159-Q161 PolarHBondContact O-N 3.31Å; C159-I162 HydrophobicContact CB-CB 3.8Å; C159-I162 HydrophobicContact CB-CD1 3.63Å; C159-I162 HydrophobicContact CB-CG1 3.75Å; C159-I162 PolarHBondContact O-N 2.79Å; C159-Q163 WeakPolarHBondContact O-CB 3.14Å; C159-Q163 PolarHBondContact O-N 3.14Å; C159-C194 HydrophobicContact CB-CB 3.88Å; C159-C194 WeakPolarHBondContact CB-SG 3.08Å; C159-C194 WeakPolarHBondContact SG-CA 3.43Å; C159-C194 WeakPolarHBondContact SG-CB 3.32Å; C159-C194 CovalentContact SG-SG 2.04Å; C159-C194 PolarHBondContact SG-SG 3.09Å
160P94.9Very high95.5Very high94 Ų9419.2 Ų19.261%0.6111%0.105SC*.Hα-helixtrans-58.7-39.7-177.1-27.635.9000114.5F158 Q163 A164F158-P160 WeakPolarHBondContact O-CD 3.34Å; P160-Q163 WeakPolarHBondContact O-CB 3.46Å; P160-Q163 PolarHBondContact O-N 3.4Å; P160-A164 WeakPolarHBondContact O-CB 3.3Å; P160-A164 PolarHBondContact O-N 3.02Å
161Q95.8Very high95.8Very high101 Ų10119.2 Ų19.247%0.47211%0.105SC..Hα-helixtrans-67-39.7178.5-68.1-168.418.900112.3C159 A164 L165C159-Q161 PolarHBondContact O-N 3.31Å; Q161-A164 PolarHBondContact O-N 3.35Å; Q161-L165 PolarHBondContact O-N 3.23Å
162I97.1Very high95.9Very high4 Ų419.2 Ų19.22%0.02111%0.105CC..Hα-helixtrans-63.5-48.3175.4-65.8-177.2000109.8L123 L127 L155 C159 A164 L165 V166 F168 F198L123-I162 HydrophobicContact CD2-CD1 4.16Å; L127-I162 HydrophobicContact CD1-CD1 4.4Å; L127-I162 HydrophobicContact CD1-CG1 3.56Å; L155-I162 HydrophobicContact CB-CD1 3.79Å; L155-I162 HydrophobicContact CB-CG2 4.25Å; L155-I162 HydrophobicContact CD1-CD1 4.23Å; L155-I162 HydrophobicContact CD2-CD1 3.59Å; L155-I162 HydrophobicContact CG-CD1 4.06Å; C159-I162 HydrophobicContact CB-CB 3.8Å; C159-I162 HydrophobicContact CB-CD1 3.63Å; C159-I162 HydrophobicContact CB-CG1 3.75Å; C159-I162 PolarHBondContact O-N 2.79Å; I162-A164 PolarHBondContact O-N 2.83Å; I162-L165 PolarHBondContact O-N 2.93Å; I162-V166 HydrophobicContact CB-CG2 4.33Å; I162-V166 HydrophobicContact CG1-CG2 4.36Å; I162-V166 HydrophobicContact CG2-CB 3.92Å; I162-V166 HydrophobicContact CG2-CG1 4.48Å; I162-V166 HydrophobicContact CG2-CG2 4.2Å; I162-V166 WeakPolarHBondContact O-CB 3.43Å; I162-V166 PolarHBondContact O-N 2.91Å; I162-F168 HydrophobicContact CG2-CE2 3.44Å; I162-F168 VanDerWaalsContact CG2-CE2 3.44Å; I162-F168 HydrophobicContact CG2-CZ 3.83Å; I162-F198 HydrophobicContact CD1-CE2 4.1Å; I162-F198 HydrophobicContact CD1-CZ 3.83Å
163Q95.4Very high96Very high50 Ų5021 Ų2123%0.23412%0.115CC..Hα-helixtrans-52-43.3173.3149.4171.8-4.400111.6R63 S92 D93 C159 P160R63-Q163 VanDerWaalsContact CZ-CD 3.41Å; S92-Q163 CarbonylContact C-O 3.57Å; S92-Q163 VanDerWaalsContact CA-O 3.29Å; S92-Q163 WeakPolarHBondContact CA-O 3.12Å; D93-Q163 PolarHBondContact N-O 2.89Å; D93-Q163 WeakPolarHBondContact OD2-CG 3.49Å; D93-Q163 PolarHBondContact OD2-NE2 2.91Å; C159-Q163 WeakPolarHBondContact O-CB 3.14Å; C159-Q163 PolarHBondContact O-N 3.14Å; P160-Q163 WeakPolarHBondContact O-CB 3.46Å; P160-Q163 PolarHBondContact O-N 3.4Å
164A95.2Very high96Very high38 Ų3822.8 Ų22.831%0.31413%0.127SC..Hα-helixtrans-73.7-37.8-175.200000113.1F94 P160 Q161 I162F94-A164 WeakPolarHBondContact CB-O 3.5Å; F94-A164 PolarHBondContact N-O 3.47Å; P160-A164 WeakPolarHBondContact O-CB 3.3Å; P160-A164 PolarHBondContact O-N 3.02Å; Q161-A164 PolarHBondContact O-N 3.35Å; I162-A164 PolarHBondContact O-N 2.83Å
165L96.6Very high96.1Very high32 Ų3226.4 Ų26.417%0.16817%0.165CC..Hα-helixtrans-127.8-12.2-160.8-63.2173.2000115.9L134 Q161 I162L134-L165 PolarHBondContact N-O 2.94Å; Q161-L165 PolarHBondContact O-N 3.23Å; I162-L165 PolarHBondContact O-N 2.93Å
166V98Very high96.1Very high1 Ų127.9 Ų27.91%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-107.6123.5-170.9-175.90000113S92 L127 L134 V136 I162 F168S92-V166 WeakPolarHBondContact CB-O 3.43Å; S92-V166 PolarHBondContact N-O 3.17Å; L127-V166 HydrophobicContact CD1-CG2 3.73Å; L127-V166 HydrophobicContact CD2-CG2 3.61Å; L127-V166 HydrophobicContact CG-CG2 4.22Å; L134-V166 HydrophobicContact CB-CG2 4.42Å; L134-V166 HydrophobicContact CD2-CG1 4.14Å; L134-V166 HydrophobicContact CD2-CG2 3.95Å; L134-V166 WeakPolarHBondContact O-CA 3.48Å; V136-V166 HydrophobicContact CG2-CG1 3.84Å; I162-V166 HydrophobicContact CB-CG2 4.33Å; I162-V166 HydrophobicContact CG1-CG2 4.36Å; I162-V166 HydrophobicContact CG2-CB 3.92Å; I162-V166 HydrophobicContact CG2-CG1 4.48Å; I162-V166 HydrophobicContact CG2-CG2 4.2Å; I162-V166 WeakPolarHBondContact O-CB 3.43Å; I162-V166 PolarHBondContact O-N 2.91Å; V166-F168 HydrophobicContact CB-CE2 4.22Å; V166-F168 HydrophobicContact CB-CZ 4.36Å; V166-F168 HydrophobicContact CG1-CD1 4.08Å; V166-F168 HydrophobicContact CG1-CD2 3.96Å; V166-F168 HydrophobicContact CG1-CE1 3.71Å; V166-F168 HydrophobicContact CG1-CE2 3.62Å; V166-F168 HydrophobicContact CG1-CG 4.2Å; V166-F168 HydrophobicContact CG1-CZ 3.48Å; V166-F168 VanDerWaalsContact CG1-CZ 3.48Å
167D97.8Very high96.1Very high7 Ų732.2 Ų32.24%0.03720%0.198CC..EExtended strand (participates in β ladder)trans-98.3125.9167.3-67.2-14.5000109.6I90 K91 S92 T95 L134 V136I90-D167 WeakPolarHBondContact O-CA 3.2Å; K91-D167 WeakPolarHBondContact CA-OD1 3.08Å; S92-D167 VanDerWaalsContact CB-OD1 3.29Å; S92-D167 WeakPolarHBondContact CB-OD1 3.4Å; S92-D167 PolarHBondContact N-OD1 3.28Å; S92-D167 PolarHBondContact OG-OD1 3.42Å; T95-D167 WeakPolarHBondContact CB-OD2 3.31Å; T95-D167 WeakPolarHBondContact CG2-OD2 3.36Å; T95-D167 VanDerWaalsContact OG1-CG 3.32Å; T95-D167 PolarHBondContact OG1-OD1 3.35Å; T95-D167 PolarHBondContact OG1-OD2 2.83Å; L134-D167 PolarHBondContact O-N 3.47Å; V136-D167 PolarHBondContact N-O 2.83Å
168F98.4Very high96.3Very high1 Ų130.8 Ų30.80%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-104.4141.4178.6-70-72.7000112.4L89 I90 L120 L123 V136 I138 V152 L155 I162 V166L89-F168 WeakPolarHBondContact CB-O 3.49Å; L89-F168 PolarHBondContact N-O 3.03Å; I90-F168 HydrophobicContact CB-CB 4.39Å; I90-F168 HydrophobicContact CB-CD2 4.33Å; I90-F168 PolarHBondContact N-O 3.28Å; I90-F168 PolarHBondContact O-N 2.6Å; L120-F168 HydrophobicContact CD1-CE1 4.28Å; L123-F168 HydrophobicContact CD2-CE1 3.9Å; L123-F168 HydrophobicContact CD2-CZ 3.75Å; V136-F168 HydrophobicContact CB-CD1 3.89Å; V136-F168 HydrophobicContact CB-CE1 4.12Å; V136-F168 HydrophobicContact CG1-CD1 4.29Å; V136-F168 HydrophobicContact CG1-CE1 4.33Å; V136-F168 HydrophobicContact CG2-CD1 4.47Å; V136-F168 HydrophobicContact CG2-CE1 4.3Å; I138-F168 HydrophobicContact CD1-CD1 3.76Å; I138-F168 HydrophobicContact CD1-CE1 4.15Å; V152-F168 HydrophobicContact CG1-CB 3.68Å; V152-F168 HydrophobicContact CG1-CD1 4.19Å; V152-F168 HydrophobicContact CG1-CD2 3.56Å; V152-F168 HydrophobicContact CG1-CE2 4.16Å; V152-F168 HydrophobicContact CG1-CG 3.56Å; V152-F168 HydrophobicContact CG2-CD1 4.25Å; V152-F168 HydrophobicContact CG2-CE1 4.5Å; V152-F168 HydrophobicContact CG2-CG 4.43Å; L155-F168 HydrophobicContact CD1-CZ 4.1Å; I162-F168 HydrophobicContact CG2-CE2 3.44Å; I162-F168 VanDerWaalsContact CG2-CE2 3.44Å; I162-F168 HydrophobicContact CG2-CZ 3.83Å; V166-F168 HydrophobicContact CB-CE2 4.22Å; V166-F168 HydrophobicContact CB-CZ 4.36Å; V166-F168 HydrophobicContact CG1-CD1 4.08Å; V166-F168 HydrophobicContact CG1-CD2 3.96Å; V166-F168 HydrophobicContact CG1-CE1 3.71Å; V166-F168 HydrophobicContact CG1-CE2 3.62Å; V166-F168 HydrophobicContact CG1-CG 4.2Å; V166-F168 HydrophobicContact CG1-CZ 3.48Å; V166-F168 VanDerWaalsContact CG1-CZ 3.48Å
169H98.5Very high96.2Very high1 Ų132.1 Ų32.11%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-129.2145.7171.2-44.9-53.4000109.1Y86 N88 S135 V136 A137 I138 V227Y86-H169 WeakPolarHBondContact O-CA 3.49Å; N88-H169 PolarHBondContact N-ND1 3.27Å; N88-H169 PolarHBondContact OD1-CE1 3.37Å; S135-H169 PolarHBondContact OG-CD2 2.89Å; S135-H169 PolarHBondContact OG-NE2 3.27Å; V136-H169 PolarHBondContact O-N 2.9Å; A137-H169 HydrophobicContact CB-CB 4.47Å; I138-H169 PolarHBondContact N-O 2.84Å; H169-V227 HydrophobicContact CB-CG1 3.53Å
170L98.4Very high95.9Very high2 Ų233.1 Ų33.11%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-121.4134.5178.7-179.870000109.9Y86 L89 I138 A140 A148 A178Y86-L170 HydrophobicContact CD2-CB 4.45Å; Y86-L170 HydrophobicContact CD2-CD2 4.32Å; Y86-L170 HydrophobicContact CD2-CG 4.49Å; Y86-L170 PolarHBondContact N-O 3.31Å; Y86-L170 PolarHBondContact O-N 2.84Å; Y86-L170 VanDerWaalsContact O-N 3.11Å; L89-L170 HydrophobicContact CD2-CB 3.79Å; L89-L170 HydrophobicContact CD2-CD2 4.24Å; I138-L170 HydrophobicContact CB-CD1 4.36Å; I138-L170 HydrophobicContact CG2-CD1 4.34Å; I138-L170 CarbonylContact O-C 3.46Å; I138-L170 WeakPolarHBondContact O-CA 3.32Å; A140-L170 HydrophobicContact CB-CD1 3.94Å; A148-L170 HydrophobicContact CB-CD1 4.01Å; L170-A178 HydrophobicContact CD2-CB 3.53Å
171V98.4Very high95.3Very high0 Ų028.7 Ų28.70%018%0.181CC..EExtended strand (participates in β ladder)trans-124129.6174.1-176.30000108.2Y83 R84 V85 I138 F139 A140 L223 L224 V227Y83-V171 HydrophobicContact CD1-CG1 4.22Å; Y83-V171 HydrophobicContact CG-CG1 4.32Å; R84-V171 WeakPolarHBondContact O-CA 3.48Å; V85-V171 HydrophobicContact CG1-CG2 4.2Å; V85-V171 HydrophobicContact CG2-CG1 4.41Å; V85-V171 HydrophobicContact CG2-CG2 4.26Å; I138-V171 PolarHBondContact O-N 2.81Å; F139-V171 WeakPolarHBondContact CA-O 3.41Å; F139-V171 HydrophobicContact CD2-CB 4.26Å; F139-V171 HydrophobicContact CD2-CG1 4.1Å; F139-V171 WeakPolarHBondContact CD2-O 3.15Å; A140-V171 PolarHBondContact N-O 2.96Å; V171-L223 HydrophobicContact CG1-CD2 3.92Å; V171-L224 HydrophobicContact CB-CD2 3.76Å; V171-L224 HydrophobicContact CG1-CD2 4.41Å; V171-L224 HydrophobicContact CG2-CD2 3.63Å; V171-V227 HydrophobicContact CG2-CG1 4.32Å; V171-V227 HydrophobicContact CG2-CG2 4.16Å
172C97.4Very high94.5Very high0 Ų028.6 Ų28.60%018%0.181CC..EExtended strand (participates in β ladder)trans-134.4176.7173.461.60000110Y83 R84 A140 V145 E176Y83-C172 CarbonylContact C-O 3.54Å; Y83-C172 VanDerWaalsContact CA-O 3.3Å; Y83-C172 WeakPolarHBondContact CA-O 3.31Å; R84-C172 PolarHBondContact N-O 2.8Å; R84-C172 PolarHBondContact O-N 2.95Å; A140-C172 WeakPolarHBondContact O-CA 3.48Å; A140-C172 WeakPolarHBondContact O-CB 3.35Å; V145-C172 HydrophobicContact CG1-CB 4.44Å; V145-C172 HydrophobicContact CG2-CB 3.78Å; C172-E176 HydrophobicContact CB-CB 4.12Å
173L96.9Very high93.4Very high41 Ų4136.7 Ų36.722%0.21522%0.219CC..EExtended strand (participates in β ladder)trans-65.6154.6174.1-61.2-178.7000110.7Y83 F139 H141 G175 E176 I217Y83-L173 HydrophobicContact CD1-CD2 4.12Å; Y83-L173 HydrophobicContact CE1-CD2 3.87Å; F139-L173 HydrophobicContact CZ-CD2 4.36Å; H141-L173 WeakPolarHBondContact ND1-CD1 3.34Å; L173-G175 PolarHBondContact O-N 3.11Å; L173-E176 HydrophobicContact CB-CG 4.08Å; L173-E176 WeakPolarHBondContact CB-OE2 3.33Å; L173-E176 PolarHBondContact N-OE2 2.85Å; L173-E176 WeakPolarHBondContact O-CB 3.33Å; L173-E176 PolarHBondContact O-N 2.93Å; L173-I217 HydrophobicContact CD1-CD1 3.72Å; L173-I217 HydrophobicContact CD1-CG1 4.25Å; L173-I217 HydrophobicContact CD2-CG2 4.2Å
174S95.8Very high92.4Very high40 Ų4035.1 Ų35.128%0.2821%0.212SC..THydrogen-bonded Turntrans-60.3-31.4-17755.90000114G81 Q82 R84 E176G81-S174 WeakPolarHBondContact O-CB 3.32Å; G81-S174 PolarHBondContact O-OG 3.42Å; Q82-S174 PolarHBondContact O-N 3.17Å; Q82-S174 PolarHBondContact O-OG 3.09Å; R84-S174 PolarHBondContact NH2-O 2.68Å; S174-E176 PolarHBondContact O-N 2.74Å
175G94.6Very high91.3Very high77 Ų7740.6 Ų40.679%0.79422%0.224SC*.THydrogen-bonded Turntrans-76.3-6.4174.700000114.8L173L173-G175 PolarHBondContact O-N 3.11Å
176E95.3Very high90.6Very high31 Ų3144.3 Ų44.315%0.14524%0.241CC..  trans-104.4154.3-178-60174.1145.900110.4R84 H141 G142 V145 C172 L173 S174R84-E176 WeakPolarHBondContact CD-O 3.42Å; R84-E176 PolarHBondContact NE-O 3.01Å; H141-E176 IonicContact CE1-OE1 3.47Å; H141-E176 PolarHBondContact CE1-OE1 3Å; H141-E176 IonicContact CG-OE1 2.78Å; H141-E176 IonicContact ND1-OE1 3.7Å; H141-E176 PolarHBondContact ND1-OE1 2.81Å; H141-E176 IonicContact ND1-OE2 3.06Å; G142-E176 WeakPolarHBondContact CA-OE1 3.49Å; G142-E176 PolarHBondContact N-OE1 2.87Å; V145-E176 HydrophobicContact CG2-CB 4.43Å; C172-E176 HydrophobicContact CB-CB 4.12Å; L173-E176 HydrophobicContact CB-CG 4.08Å; L173-E176 WeakPolarHBondContact CB-OE2 3.33Å; L173-E176 PolarHBondContact N-OE2 2.85Å; L173-E176 WeakPolarHBondContact O-CB 3.33Å; L173-E176 PolarHBondContact O-N 2.93Å; S174-E176 PolarHBondContact O-N 2.74Å
177T94.3Very high89.9Confident93 Ų9346 Ų4657%0.57125%0.249SC*.  trans-137130.5178.254.30000110.2Y86Y86-T177 WeakPolarHBondContact OH-CA 3.35Å
178A94.4Very high89.2Confident8 Ų846.1 Ų46.17%0.06625%0.249CC..  trans-77140.1167.600000110L71 Y86 V145 L170L71-A178 HydrophobicContact CD2-CB 3.53Å; Y86-A178 HydrophobicContact CD2-CB 4.16Å; Y86-A178 HydrophobicContact CE1-CB 4.24Å; Y86-A178 HydrophobicContact CE2-CB 3.66Å; Y86-A178 PolarHBondContact OH-N 2.93Å; V145-A178 HydrophobicContact CG1-CB 3.94Å; L170-A178 HydrophobicContact CD2-CB 3.53Å
179S91.8Very high88.6Confident52 Ų5247.4 Ų47.436%0.36426%0.26SS..  trans-131154.1178.757.20000110.1T149T149-S179 WeakPolarHBondContact CG2-O 3.35Å
180F88.2Confident87.8Confident23 Ų2350.3 Ų50.310%0.10129%0.29CS..  trans-64.2135.6176-174.5-90.5000109.1F47 K64 L67 R68 L71 Y153 E182F47-F180 AromaticContact CD1-CE1 3.8Å; F47-F180 HydrophobicContact CD1-CE1 3.8Å; F47-F180 HydrophobicContact CD1-CZ 4.1Å; F47-F180 AromaticContact CE1-CE1 3.61Å; F47-F180 HydrophobicContact CE1-CE1 3.61Å; F47-F180 AromaticContact CE1-CZ 3.93Å; F47-F180 HydrophobicContact CE1-CZ 3.93Å; K64-F180 HydrophobicContact CD-CZ 4.32Å; K64-F180 HydrophobicContact CG-CE2 3.96Å; K64-F180 HydrophobicContact CG-CZ 3.69Å; L67-F180 HydrophobicContact CB-CD2 4.5Å; L67-F180 HydrophobicContact CB-CE2 4.47Å; L67-F180 HydrophobicContact CD2-CD2 3.97Å; L67-F180 HydrophobicContact CD2-CE2 3.9Å; L67-F180 HydrophobicContact CG-CD2 4.03Å; L67-F180 HydrophobicContact CG-CE2 4.28Å; R68-F180 HydrophobicContact CG-CB 4.12Å; R68-F180 HydrophobicContact CG-CD1 4.32Å; R68-F180 HydrophobicContact CG-CD2 3.53Å; R68-F180 HydrophobicContact CG-CE2 4.04Å; R68-F180 HydrophobicContact CG-CG 3.71Å; L71-F180 HydrophobicContact CD1-CB 3.99Å; L71-F180 HydrophobicContact CD1-CD2 4.41Å; Y153-F180 HydrophobicContact CE1-CZ 4.27Å; F180-E182 HydrophobicContact CD1-CB 4.12Å; F180-E182 HydrophobicContact CD1-CG 3.63Å; F180-E182 WeakPolarHBondContact CD1-OE1 3.35Å; F180-E182 HydrophobicContact CE1-CG 3.87Å; F180-E182 PolarHBondContact O-N 3.24Å
181P84.1Confident87.4Confident0 Ų050.5 Ų50.50%029%0.291CS..  trans-8156.1-168.936.4-40.7000111.9F47 A150 D184 F188F47-P181 WeakPolarHBondContact CE1-O 3.35Å; F47-P181 WeakPolarHBondContact CZ-O 3.41Å; A150-P181 HydrophobicContact CB-CB 3.83Å; A150-P181 HydrophobicContact CB-CG 4.26Å; P181-D184 WeakPolarHBondContact CA-OD2 3.35Å; P181-D184 HydrophobicContact CB-CB 4.2Å; P181-F188 HydrophobicContact CB-CE2 3.97Å; P181-F188 HydrophobicContact CB-CZ 4.21Å; P181-F188 HydrophobicContact CG-CE2 4.02Å; P181-F188 HydrophobicContact CG-CZ 3.8Å
182E78.1Confident86.9Confident100 Ų10054.9 Ų54.947%0.46731%0.311SS..SBendtrans-72.3-31.4-179.5-109.1160.1-131.900112.5R68 F180R68-E182 IonicContact CZ-OE1 3.21Å; R68-E182 IonicContact NE-OE1 3.05Å; R68-E182 PolarHBondContact NE-OE1 2.77Å; R68-E182 IonicContact NH2-OE1 2.64Å; R68-E182 PolarHBondContact NH2-OE1 3.47Å; F180-E182 HydrophobicContact CD1-CB 4.12Å; F180-E182 HydrophobicContact CD1-CG 3.63Å; F180-E182 WeakPolarHBondContact CD1-OE1 3.35Å; F180-E182 HydrophobicContact CE1-CG 3.87Å; F180-E182 PolarHBondContact O-N 3.24Å
183Q73.5Confident86.6Confident174 Ų17458.7 Ų58.781%0.81333%0.332SS*.SBendtrans-101.9-17.6-177.2-61.3-178.56.700112.6R185Q183-R185 PolarHBondContact O-N 3.14Å
184D74.8Confident86.5Confident16 Ų1658.1 Ų58.19%0.08633%0.331CS..  trans-87.556-173.1-46.8-58.6000111.9P181 E186 H187 F188P181-D184 WeakPolarHBondContact CA-OD2 3.35Å; P181-D184 HydrophobicContact CB-CB 4.2Å; D184-E186 VanDerWaalsContact C-N 3.33Å; D184-E186 PolarHBondContact O-N 3.45Å; D184-H187 PolarHBondContact O-N 3.09Å; D184-F188 WeakPolarHBondContact O-CD2 3.23Å
185R72.4Confident86.5Confident153 Ų15360.3 Ų60.358%0.57734%0.342SS*.G310 helixtrans-65.4-36.1-172.6-78.8-170.7165174.8-2.9112.5Y43 Q183 H187 F188 A189Y43-R185 HydrophobicContact CE1-CB 4.2Å; Y43-R185 HydrophobicContact CE1-CG 3.74Å; Y43-R185 WeakPolarHBondContact OH-CA 3.46Å; Y43-R185 WeakPolarHBondContact OH-CB 3.33Å; Y43-R185 PolarHBondContact OH-O 3.15Å; Q183-R185 PolarHBondContact O-N 3.14Å; R185-H187 PolarHBondContact O-N 3.2Å; R185-H187 VanDerWaalsContact O-N 3.13Å; R185-F188 PolarHBondContact O-N 3.22Å; R185-A189 PolarHBondContact O-N 3.36Å
186E81Confident86.5Confident111 Ų11157.7 Ų57.752%0.51931%0.312SS..G310 helixtrans-55-31.8178.461.9-74.917000113.2D184 F188 A189D184-E186 VanDerWaalsContact C-N 3.33Å; D184-E186 PolarHBondContact O-N 3.45Å; E186-F188 VanDerWaalsContact C-N 3.28Å; E186-F188 PolarHBondContact O-N 3.47Å; E186-A189 WeakPolarHBondContact O-CB 3.44Å; E186-A189 PolarHBondContact O-N 3.38Å
187H83.3Confident86.4Confident36 Ų3656.2 Ų56.217%0.16731%0.305CS..G310 helixtrans-68.9-25.2179.1-61.5-30.7000113.5F147 A150 L151 D184 R185F147-H187 AromaticContact CD2-CE1 3.71Å; F147-H187 AromaticContact CD2-ND1 3.68Å; A150-H187 HydrophobicContact CB-CB 3.97Å; L151-H187 HydrophobicContact CD2-CB 4.14Å; D184-H187 PolarHBondContact O-N 3.09Å; R185-H187 PolarHBondContact O-N 3.2Å; R185-H187 VanDerWaalsContact O-N 3.13Å
188F84.4Confident86.5Confident9 Ų952.2 Ų52.24%0.03928%0.28CS..G310 helixtrans-94.1-5.3178.1-59.6-84.1000113.3L46 F47 A150 Y153 A154 P181 D184 R185 E186 G190 L191L46-F188 HydrophobicContact CD1-CB 4.1Å; L46-F188 HydrophobicContact CD1-CD1 3.63Å; L46-F188 HydrophobicContact CD1-CE1 4.4Å; L46-F188 HydrophobicContact CD1-CG 4.07Å; L46-F188 HydrophobicContact CD2-CD1 4.39Å; L46-F188 HydrophobicContact CD2-CE1 4.45Å; F47-F188 HydrophobicContact CE2-CD2 4.2Å; F47-F188 HydrophobicContact CE2-CE2 4.33Å; F47-F188 HydrophobicContact CE2-CG 4.44Å; F47-F188 AromaticContact CZ-CD2 3.99Å; F47-F188 HydrophobicContact CZ-CD2 3.99Å; F47-F188 AromaticContact CZ-CE2 3.68Å; F47-F188 HydrophobicContact CZ-CE2 3.68Å; F47-F188 HydrophobicContact CZ-CZ 4Å; A150-F188 HydrophobicContact CB-CE2 4.1Å; A150-F188 HydrophobicContact CB-CZ 3.97Å; Y153-F188 AromaticContact CD1-CE1 3.97Å; Y153-F188 HydrophobicContact CD1-CE1 3.97Å; Y153-F188 AromaticContact CD1-CZ 3.96Å; Y153-F188 HydrophobicContact CD1-CZ 3.96Å; A154-F188 HydrophobicContact CB-CD1 4.33Å; A154-F188 HydrophobicContact CB-CE1 4.01Å; P181-F188 HydrophobicContact CB-CE2 3.97Å; P181-F188 HydrophobicContact CB-CZ 4.21Å; P181-F188 HydrophobicContact CG-CE2 4.02Å; P181-F188 HydrophobicContact CG-CZ 3.8Å; D184-F188 WeakPolarHBondContact O-CD2 3.23Å; R185-F188 PolarHBondContact O-N 3.22Å; E186-F188 VanDerWaalsContact C-N 3.28Å; E186-F188 PolarHBondContact O-N 3.47Å; F188-G190 PolarHBondContact O-N 3.49Å; F188-L191 HydrophobicContact CD1-CD1 4.27Å; F188-L191 PolarHBondContact O-N 2.99Å
189A84.1Confident86.5Confident29 Ų2955 Ų5524%0.2430%0.299CS..THydrogen-bonded Turntrans-65.3123.7-178.200000111.2R185 E186 L191 R200R185-A189 PolarHBondContact O-N 3.36Å; E186-A189 WeakPolarHBondContact O-CB 3.44Å; E186-A189 PolarHBondContact O-N 3.38Å; A189-L191 VanDerWaalsContact C-N 3.32Å; A189-R200 PolarHBondContact O-NH2 3.27Å
190G82.9Confident86.5Confident61 Ų6156.6 Ų56.663%0.62930%0.297SS*.THydrogen-bonded Turntrans78.59.217900000115.1F188F188-G190 PolarHBondContact O-N 3.49Å
191L89.1Confident86.8Confident7 Ų755.5 Ų55.54%0.03729%0.292CS..  trans-82123.3171.3-56.4-174.7000110A154 F158 F188 A189 S196 V197 R200A154-L191 HydrophobicContact CB-CD1 3.88Å; F158-L191 HydrophobicContact CE2-CB 4.03Å; F158-L191 HydrophobicContact CZ-CB 4.32Å; F188-L191 HydrophobicContact CD1-CD1 4.27Å; F188-L191 PolarHBondContact O-N 2.99Å; A189-L191 VanDerWaalsContact C-N 3.32Å; L191-S196 WeakPolarHBondContact CA-OG 3.47Å; L191-S196 WeakPolarHBondContact CD2-O 3.26Å; L191-V197 HydrophobicContact CD1-CG2 4.24Å; L191-V197 HydrophobicContact CD2-CG2 4.37Å; L191-R200 HydrophobicContact CD2-CB 4.15Å
192E87.9Confident87.1Confident92 Ų9259.3 Ų59.343%0.4331%0.31SS..  trans-123.1-32.2-176.7-56.8-161.3146.200113.1Q38 S196Q38-E192 PolarHBondContact NE2-OE1 3.46Å; E192-S196 PolarHBondContact N-OG 2.97Å
193D91.4Very high87.7Confident80 Ų8059.3 Ų59.343%0.42832%0.317SS..SBendtrans-154179.5-175.560.122.2000111T195 S196 V197D193-T195 VanDerWaalsContact C-N 3.3Å; D193-T195 PolarHBondContact O-N 3.45Å; D193-T195 WeakPolarHBondContact OD1-CB 3.32Å; D193-T195 PolarHBondContact OD1-N 3.1Å; D193-S196 PolarHBondContact N-OG 3.11Å; D193-S196 PolarHBondContact O-N 2.85Å; D193-S196 PolarHBondContact O-OG 3.21Å; D193-S196 WeakPolarHBondContact OD1-CB 3.1Å; D193-S196 PolarHBondContact OD1-N 3.23Å; D193-S196 PolarHBondContact OD1-OG 2.87Å; D193-V197 WeakPolarHBondContact O-CG2 3.23Å; D193-V197 PolarHBondContact O-N 2.79Å
194C94.9Very high88.3Confident29 Ų2953.4 Ų53.420%0.19629%0.289CS..Hα-helixtrans-57.6-41.1179.4-170.10000113.2F158 C159 S196 V197 F198F158-C194 WeakPolarHBondContact O-CB 3.35Å; C159-C194 HydrophobicContact CB-CB 3.88Å; C159-C194 WeakPolarHBondContact CB-SG 3.08Å; C159-C194 WeakPolarHBondContact SG-CA 3.43Å; C159-C194 WeakPolarHBondContact SG-CB 3.32Å; C159-C194 CovalentContact SG-SG 2.04Å; C159-C194 PolarHBondContact SG-SG 3.09Å; C194-S196 VanDerWaalsContact C-N 3.31Å; C194-S196 PolarHBondContact O-N 3.32Å; C194-V197 WeakPolarHBondContact O-CB 3.45Å; C194-V197 PolarHBondContact O-N 3.46Å; C194-F198 PolarHBondContact O-N 2.87Å; C194-F198 VanDerWaalsContact SG-CE2 3.55Å
195T95.3Very high88.8Confident85 Ų8558.4 Ų58.452%0.52131%0.307SS..Hα-helixtrans-61-39.9-179.4-57.90000111.8D193 V197 F198 S199D193-T195 VanDerWaalsContact C-N 3.3Å; D193-T195 PolarHBondContact O-N 3.45Å; D193-T195 WeakPolarHBondContact OD1-CB 3.32Å; D193-T195 PolarHBondContact OD1-N 3.1Å; T195-V197 VanDerWaalsContact C-N 3.31Å; T195-V197 PolarHBondContact O-N 3.3Å; T195-F198 PolarHBondContact O-N 2.97Å; T195-S199 WeakPolarHBondContact O-CB 3.43Å; T195-S199 PolarHBondContact O-N 2.85Å; T195-S199 PolarHBondContact O-OG 2.91Å
196S94.7Very high89.1Confident23 Ų2357.7 Ų57.716%0.16132%0.315CS..Hα-helixtrans-65.8-32.6175.870.20000112.8L191 E192 D193 C194 R200L191-S196 WeakPolarHBondContact CA-OG 3.47Å; L191-S196 WeakPolarHBondContact CD2-O 3.26Å; E192-S196 PolarHBondContact N-OG 2.97Å; D193-S196 PolarHBondContact N-OG 3.11Å; D193-S196 PolarHBondContact O-N 2.85Å; D193-S196 PolarHBondContact O-OG 3.21Å; D193-S196 WeakPolarHBondContact OD1-CB 3.1Å; D193-S196 PolarHBondContact OD1-N 3.23Å; D193-S196 PolarHBondContact OD1-OG 2.87Å; C194-S196 VanDerWaalsContact C-N 3.31Å; C194-S196 PolarHBondContact O-N 3.32Å; S196-R200 PolarHBondContact O-N 3.36Å; S196-R200 VanDerWaalsContact O-N 3.08Å
197V94.8Very high89Confident0 Ų057 Ų570%031%0.31CS..Hα-helixtrans-69.3-46.6175-169.20000110.8L151 A154 L155 F158 L191 D193 C194 T195 S199 R200 L201L151-V197 HydrophobicContact CD1-CG1 3.69Å; A154-V197 HydrophobicContact CB-CG1 3.98Å; A154-V197 HydrophobicContact CB-CG2 4.23Å; L155-V197 HydrophobicContact CD2-CB 4.07Å; L155-V197 HydrophobicContact CD2-CG1 3.5Å; L155-V197 HydrophobicContact CG-CG1 3.75Å; F158-V197 HydrophobicContact CB-CG2 3.88Å; F158-V197 HydrophobicContact CD2-CG2 3.78Å; F158-V197 HydrophobicContact CG-CG2 4.11Å; L191-V197 HydrophobicContact CD1-CG2 4.24Å; L191-V197 HydrophobicContact CD2-CG2 4.37Å; D193-V197 WeakPolarHBondContact O-CG2 3.23Å; D193-V197 PolarHBondContact O-N 2.79Å; C194-V197 WeakPolarHBondContact O-CB 3.45Å; C194-V197 PolarHBondContact O-N 3.46Å; T195-V197 VanDerWaalsContact C-N 3.31Å; T195-V197 PolarHBondContact O-N 3.3Å; V197-S199 VanDerWaalsContact C-N 3.34Å; V197-S199 PolarHBondContact O-N 3.29Å; V197-R200 WeakPolarHBondContact O-CB 3.37Å; V197-R200 PolarHBondContact O-N 2.99Å; V197-R200 VanDerWaalsContact O-N 3.15Å; V197-L201 PolarHBondContact O-N 3.31Å; V197-L201 VanDerWaalsContact O-N 3.08Å
198F95.6Very high88.9Confident9 Ų956.7 Ų56.74%0.03931%0.307CS..Hα-helixtrans-63.9-39.6175.6-81.9-67000112.2L123 E124 L155 I162 C194 T195 R200 L201 E202L123-F198 HydrophobicContact CB-CE1 4.31Å; E124-F198 HydrophobicContact CB-CD1 3.92Å; E124-F198 HydrophobicContact CB-CD2 4.14Å; E124-F198 HydrophobicContact CB-CE1 3.64Å; E124-F198 HydrophobicContact CB-CE2 3.85Å; E124-F198 HydrophobicContact CB-CG 4.17Å; E124-F198 HydrophobicContact CB-CZ 3.59Å; E124-F198 HydrophobicContact CG-CD2 4.09Å; E124-F198 HydrophobicContact CG-CE2 3.96Å; E124-F198 HydrophobicContact CG-CG 4.44Å; E124-F198 HydrophobicContact CG-CZ 4.22Å; L155-F198 HydrophobicContact CD2-CD2 4.4Å; L155-F198 HydrophobicContact CD2-CE1 4.2Å; L155-F198 HydrophobicContact CD2-CE2 4.07Å; L155-F198 HydrophobicContact CD2-CZ 3.96Å; I162-F198 HydrophobicContact CD1-CE2 4.1Å; I162-F198 HydrophobicContact CD1-CZ 3.83Å; C194-F198 PolarHBondContact O-N 2.87Å; C194-F198 VanDerWaalsContact SG-CE2 3.55Å; T195-F198 PolarHBondContact O-N 2.97Å; F198-R200 PolarHBondContact O-N 2.86Å; F198-L201 HydrophobicContact CD1-CD1 3.99Å; F198-L201 HydrophobicContact CE1-CD1 4.27Å; F198-L201 WeakPolarHBondContact O-CB 3.39Å; F198-L201 PolarHBondContact O-N 3.38Å; F198-E202 WeakPolarHBondContact O-CG 3.38Å; F198-E202 PolarHBondContact O-N 2.93Å
199S93.8Very high88.4Confident67 Ų6763 Ų6347%0.46934%0.337SS..Hα-helixtrans-58.1-37.2173-620000112.1T195 V197 E202 T203T195-S199 WeakPolarHBondContact O-CB 3.43Å; T195-S199 PolarHBondContact O-N 2.85Å; T195-S199 PolarHBondContact O-OG 2.91Å; V197-S199 VanDerWaalsContact C-N 3.34Å; V197-S199 PolarHBondContact O-N 3.29Å; S199-E202 PolarHBondContact O-N 3.28Å; S199-T203 WeakPolarHBondContact O-CG2 3.07Å; S199-T203 PolarHBondContact O-N 3.22Å
200R92.8Very high87.8Confident84 Ų8464 Ų6432%0.31734%0.338SS..Hα-helixtrans-68.9-35.4174.8-176.563.865.9166.86.5113F147 L151 A189 L191 S196 V197 F198 T203 H204F147-R200 HydrophobicContact CZ-CG 4.44Å; L151-R200 HydrophobicContact CD1-CB 4.26Å; L151-R200 HydrophobicContact CD1-CG 3.98Å; A189-R200 PolarHBondContact O-NH2 3.27Å; L191-R200 HydrophobicContact CD2-CB 4.15Å; S196-R200 PolarHBondContact O-N 3.36Å; S196-R200 VanDerWaalsContact O-N 3.08Å; V197-R200 WeakPolarHBondContact O-CB 3.37Å; V197-R200 PolarHBondContact O-N 2.99Å; V197-R200 VanDerWaalsContact O-N 3.15Å; F198-R200 PolarHBondContact O-N 2.86Å; R200-T203 PolarHBondContact O-OG1 3.07Å; R200-H204 PolarHBondContact O-ND1 3.41Å
201L93.1Very high87.7Confident0 Ų062.6 Ų62.60%031%0.314CS..Hα-helixtrans-67.3-40.2174-70.7169.9000111.2I117 L120 H121 F147 L151 L155 V197 F198 T203 H204 R205I117-L201 HydrophobicContact CD1-CD2 3.8Å; I117-L201 HydrophobicContact CG1-CD2 4.32Å; L120-L201 HydrophobicContact CB-CD1 4.4Å; L120-L201 HydrophobicContact CB-CD2 4.42Å; L120-L201 HydrophobicContact CD2-CD1 4.21Å; L120-L201 HydrophobicContact CD2-CD2 4.31Å; L120-L201 HydrophobicContact CG-CD1 4.21Å; H121-L201 HydrophobicContact CB-CB 4.21Å; F147-L201 HydrophobicContact CE1-CD2 4.43Å; L151-L201 HydrophobicContact CB-CD2 4.07Å; L151-L201 HydrophobicContact CD1-CD2 4.31Å; L151-L201 HydrophobicContact CD1-CG 4.36Å; L151-L201 HydrophobicContact CG-CD2 4.05Å; L155-L201 HydrophobicContact CD1-CD1 4.08Å; L155-L201 HydrophobicContact CD2-CD1 4.2Å; L155-L201 HydrophobicContact CG-CD1 4.48Å; V197-L201 PolarHBondContact O-N 3.31Å; V197-L201 VanDerWaalsContact O-N 3.08Å; F198-L201 HydrophobicContact CD1-CD1 3.99Å; F198-L201 HydrophobicContact CE1-CD1 4.27Å; F198-L201 WeakPolarHBondContact O-CB 3.39Å; F198-L201 PolarHBondContact O-N 3.38Å; L201-T203 VanDerWaalsContact C-N 3.27Å; L201-T203 PolarHBondContact O-N 3.04Å; L201-H204 WeakPolarHBondContact O-CA 3.42Å; L201-H204 WeakPolarHBondContact O-CB 3.22Å; L201-H204 PolarHBondContact O-N 3.08Å; L201-R205 PolarHBondContact O-N 3.06Å
202E91.9Very high87.3Confident81 Ų8163.9 Ų63.938%0.37933%0.326SS..Hα-helixtrans-60.1-34.9176.7-73.6-71.5178.700112.4H121 F198 S199 H204 R205H121-E202 HydrophobicContact CB-CG 4.08Å; H121-E202 WeakPolarHBondContact CB-OE1 3.19Å; H121-E202 IonicContact CD2-OE1 3.95Å; H121-E202 PolarHBondContact CD2-OE1 3.27Å; H121-E202 IonicContact CD2-OE2 3.37Å; H121-E202 IonicContact CG-OE1 3.03Å; H121-E202 IonicContact CG-OE2 3.65Å; F198-E202 WeakPolarHBondContact O-CG 3.38Å; F198-E202 PolarHBondContact O-N 2.93Å; S199-E202 PolarHBondContact O-N 3.28Å; E202-H204 PolarHBondContact O-N 3.15Å; E202-R205 WeakPolarHBondContact O-CB 3.44Å; E202-R205 PolarHBondContact O-N 3.49Å; E202-R205 VanDerWaalsContact O-N 3.1Å
203T89.7Confident86.8Confident99 Ų9960.1 Ų60.161%0.60731%0.309SS*.THydrogen-bonded Turntrans-64.7-13.8174.776.80000113.6S199 R200 L201S199-T203 WeakPolarHBondContact O-CG2 3.07Å; S199-T203 PolarHBondContact O-N 3.22Å; R200-T203 PolarHBondContact O-OG1 3.07Å; L201-T203 VanDerWaalsContact C-N 3.27Å; L201-T203 PolarHBondContact O-N 3.04Å
204H85.8Confident85.9Confident50 Ų5059.3 Ų59.323%0.23131%0.309CS..THydrogen-bonded Turntrans-104.4-1.3178.9-68.775.2000113N118 F147 R200 L201 E202 D206 K207N118-H204 WeakPolarHBondContact CB-O 3.47Å; F147-H204 HydrophobicContact CE1-CB 4.1Å; F147-H204 AromaticContact CE1-CD2 3.63Å; F147-H204 AromaticContact CE1-CE1 3.96Å; F147-H204 AromaticContact CE1-CG 3.55Å; F147-H204 AromaticContact CE1-ND1 3.76Å; F147-H204 AromaticContact CE1-NE2 3.91Å; F147-H204 AromaticContact CE2-CE1 3.42Å; F147-H204 VanDerWaalsContact CE2-CE1 3.42Å; F147-H204 WeakPolarHBondContact CE2-CE1 3.43Å; F147-H204 AromaticContact CE2-ND1 3.95Å; F147-H204 AromaticContact CE2-NE2 3.57Å; F147-H204 HydrophobicContact CZ-CB 4.43Å; F147-H204 AromaticContact CZ-CD2 3.68Å; F147-H204 AromaticContact CZ-CE1 3.19Å; F147-H204 WeakPolarHBondContact CZ-CE1 3.45Å; F147-H204 AromaticContact CZ-CG 3.54Å; F147-H204 AromaticContact CZ-ND1 3.22Å; F147-H204 WeakPolarHBondContact CZ-ND1 3.44Å; F147-H204 AromaticContact CZ-NE2 3.49Å; F147-H204 WeakPolarHBondContact CZ-NE2 3.26Å; R200-H204 PolarHBondContact O-ND1 3.41Å; L201-H204 WeakPolarHBondContact O-CA 3.42Å; L201-H204 WeakPolarHBondContact O-CB 3.22Å; L201-H204 PolarHBondContact O-N 3.08Å; E202-H204 PolarHBondContact O-N 3.15Å; H204-D206 PolarHBondContact O-N 3.08Å; H204-K207 WeakPolarHBondContact O-CB 3.49Å; H204-K207 PolarHBondContact O-N 2.93Å
205R85.8Confident84.8Confident122 Ų12261 Ų6146%0.4633%0.332SS..G310 helixtrans-50.8-54-174.2174.3179.4-174.5-157.5-2.1113.9N118 L201 E202 K207N118-R205 PolarHBondContact ND2-O 2.75Å; N118-R205 WeakPolarHBondContact O-CA 3.23Å; L201-R205 PolarHBondContact O-N 3.06Å; E202-R205 WeakPolarHBondContact O-CB 3.44Å; E202-R205 PolarHBondContact O-N 3.49Å; E202-R205 VanDerWaalsContact O-N 3.1Å; R205-K207 PolarHBondContact O-N 2.95Å
206D78.6Confident84Confident138 Ų13863 Ų6374%0.73834%0.339SS*.G310 helixtrans-86.710-168.9-60.1-44000113.6H204 Y208H204-D206 PolarHBondContact O-N 3.08Å; D206-Y208 VanDerWaalsContact C-N 3.28Å; D206-Y208 PolarHBondContact O-N 3.3Å
207K80.1Confident83.6Confident95 Ų9563.2 Ų63.241%0.41334%0.338SS..G310 helixtrans-61.6-37.1-178.9-168.3-178.3-179-157.30112.4D144 H204 R205D144-K207 IonicContact OD1-NZ 3.79Å; D144-K207 PolarHBondContact OD1-NZ 3.19Å; D144-K207 IonicContact OD2-NZ 3.52Å; D144-K207 PolarHBondContact OD2-NZ 3.49Å; H204-K207 WeakPolarHBondContact O-CB 3.49Å; H204-K207 PolarHBondContact O-N 2.93Å; R205-K207 PolarHBondContact O-N 2.95Å
208Y79.2Confident83.5Confident30 Ų3065.3 Ų65.312%0.11835%0.353CS..SBendtrans-136.7131.2178.9-53.6-68.3000111N118 D144 D206 A212 M213 S214N118-Y208 PolarHBondContact ND2-O 3.45Å; N118-Y208 VanDerWaalsContact ND2-O 3.1Å; D144-Y208 WeakPolarHBondContact OD2-CE2 3.18Å; D144-Y208 PolarHBondContact OD2-OH 2.81Å; D206-Y208 VanDerWaalsContact C-N 3.28Å; D206-Y208 PolarHBondContact O-N 3.3Å; Y208-A212 WeakPolarHBondContact CD1-O 3.36Å; Y208-M213 HydrophobicContact CD1-SD 4.39Å; Y208-M213 HydrophobicContact CD2-CE 4.05Å; Y208-M213 HydrophobicContact CD2-SD 3.5Å; Y208-M213 WeakPolarHBondContact CD2-SD 3.46Å; Y208-M213 HydrophobicContact CE2-CE 3.62Å; Y208-M213 HydrophobicContact CE2-SD 3.73Å; Y208-M213 HydrophobicContact CG-SD 3.86Å; Y208-S214 PolarHBondContact OH-OG 3.28Å
209Q74.5Confident83.5Confident143 Ų14365.1 Ų65.167%0.66835%0.352SS*.SBendtrans-84.9132.3173.7-68.2-177.5-13.100110.6Y211 A212Q209-Y211 VanDerWaalsContact C-N 3.3Å; Q209-Y211 PolarHBondContact O-N 2.83Å; Q209-A212 WeakPolarHBondContact O-CB 3.34Å; Q209-A212 PolarHBondContact O-N 3.04Å
210N72.9Confident83.7Confident50 Ų5062 Ų6227%0.26733%0.33SS..THydrogen-bonded Turntrans48.144.7172.6-58.9-65.7000114.9A212 E397N210-A212 PolarHBondContact O-N 2.54Å; N210-E397 PolarHBondContact ND2-O 2.95Å
211Y80.1Confident83.9Confident30 Ų3058.2 Ų58.212%0.11832%0.316CS..THydrogen-bonded Turntrans59.616-177.9-50.6-80.9000114.6T116 N119 Q209 M213 Y219 Q360T116-Y211 HydrophobicContact CG2-CD1 3.74Å; T116-Y211 HydrophobicContact CG2-CE1 4.42Å; T116-Y211 WeakPolarHBondContact OG1-CD1 3.46Å; N119-Y211 HydrophobicContact CB-CE1 4.29Å; N119-Y211 WeakPolarHBondContact ND2-CE1 3.37Å; Q209-Y211 VanDerWaalsContact C-N 3.3Å; Q209-Y211 PolarHBondContact O-N 2.83Å; Y211-M213 VanDerWaalsContact C-N 3.33Å; Y211-M213 PolarHBondContact O-N 2.87Å; Y211-Y219 HydrophobicContact CD1-CD1 4.03Å; Y211-Y219 HydrophobicContact CD1-CD2 4.21Å; Y211-Y219 AromaticContact CD1-CE1 3.63Å; Y211-Y219 HydrophobicContact CD1-CE1 3.63Å; Y211-Y219 AromaticContact CD1-CE2 3.85Å; Y211-Y219 HydrophobicContact CD1-CE2 3.85Å; Y211-Y219 HydrophobicContact CD1-CG 4.3Å; Y211-Y219 AromaticContact CD1-CZ 3.51Å; Y211-Y219 HydrophobicContact CD2-CD1 4.17Å; Y211-Y219 HydrophobicContact CD2-CE1 4.01Å; Y211-Y219 AromaticContact CE1-CE1 3.92Å; Y211-Y219 HydrophobicContact CE1-CE1 3.92Å; Y211-Y219 HydrophobicContact CE1-CE2 4.34Å; Y211-Y219 AromaticContact CE1-CZ 3.68Å; Y211-Y219 WeakPolarHBondContact CE1-OH 3.48Å; Y211-Y219 HydrophobicContact CE2-CE1 4.3Å; Y211-Y219 AromaticContact CG-CD1 3.71Å; Y211-Y219 HydrophobicContact CG-CD1 3.71Å; Y211-Y219 HydrophobicContact CG-CD2 4.47Å; Y211-Y219 AromaticContact CG-CE1 3.66Å; Y211-Y219 HydrophobicContact CG-CE1 3.66Å; Y211-Y219 HydrophobicContact CG-CE2 4.46Å; Y211-Y219 HydrophobicContact CG-CG 4.11Å; Y211-Q360 PolarHBondContact O-NE2 3.32Å; Y211-Q360 VanDerWaalsContact O-NE2 3.1Å
212A79.8Confident84.1Confident34 Ų3458.2 Ų58.228%0.28132%0.316SS..  trans-76.586.4173.500000109.7Y208 Q209 N210 H399Y208-A212 WeakPolarHBondContact CD1-O 3.36Å; Q209-A212 WeakPolarHBondContact O-CB 3.34Å; Q209-A212 PolarHBondContact O-N 3.04Å; N210-A212 PolarHBondContact O-N 2.54Å; A212-H399 HydrophobicContact CB-CB 3.57Å
213M78.3Confident84.5Confident14 Ų1454.8 Ų54.87%0.06930%0.3CS..  trans-69.3151.2177.6-58.8-64.2-74.400110.9T116 F139 H141 Y208 Y211T116-M213 HydrophobicContact CG2-SD 3.84Å; F139-M213 HydrophobicContact CD1-CG 4.44Å; F139-M213 HydrophobicContact CE1-CG 4.22Å; H141-M213 HydrophobicContact CB-CE 4.05Å; Y208-M213 HydrophobicContact CD1-SD 4.39Å; Y208-M213 HydrophobicContact CD2-CE 4.05Å; Y208-M213 HydrophobicContact CD2-SD 3.5Å; Y208-M213 WeakPolarHBondContact CD2-SD 3.46Å; Y208-M213 HydrophobicContact CE2-CE 3.62Å; Y208-M213 HydrophobicContact CE2-SD 3.73Å; Y208-M213 HydrophobicContact CG-SD 3.86Å; Y211-M213 VanDerWaalsContact C-N 3.33Å; Y211-M213 PolarHBondContact O-N 2.87Å
214S72.8Confident84.9Confident62 Ų6250 Ų5043%0.43427%0.272SS..THydrogen-bonded Turntrans-59.7152.8171.148.40000111.5Y208Y208-S214 PolarHBondContact OH-OG 3.28Å
215G72.1Confident85.5Confident66 Ų6648 Ų4868%0.6826%0.262SS*.THydrogen-bonded Turntrans86.920.2170.800000116.6I217G215-I217 VanDerWaalsContact C-N 3.25Å; G215-I217 PolarHBondContact O-N 2.9Å
216N77.4Confident86.1Confident125 Ų12542.7 Ų42.767%0.66824%0.243SC*.SBendtrans6130.1179-162.346.4000114.1K401N216-K401 PolarHBondContact OD1-NZ 3.3Å
217I87.5Confident87.1Confident28 Ų2836.3 Ų36.314%0.14421%0.209CC..PPolyproline II helixtrans-93.9122.1-179.8-66.5154.6000109.3F139 H141 L173 G215F139-I217 HydrophobicContact CE1-CG2 3.99Å; F139-I217 HydrophobicContact CZ-CG2 3.81Å; H141-I217 WeakPolarHBondContact CD2-CD1 3.29Å; H141-I217 WeakPolarHBondContact CE1-CD1 3.33Å; H141-I217 WeakPolarHBondContact NE2-CD1 3.32Å; L173-I217 HydrophobicContact CD1-CD1 3.72Å; L173-I217 HydrophobicContact CD1-CG1 4.25Å; L173-I217 HydrophobicContact CD2-CG2 4.2Å; G215-I217 VanDerWaalsContact C-N 3.25Å; G215-I217 PolarHBondContact O-N 2.9Å
218S91.8Very high87.9Confident45 Ų4531.8 Ų31.832%0.31519%0.189SC..PPolyproline II helixtrans-74.8133.3173.3-540000110.7P220S218-P220 WeakPolarHBondContact O-CD 3.31Å
219Y95.6Very high88.8Confident4 Ų431 Ų312%0.01619%0.186CC..PPolyproline II helixtrans-64.2120.9172.7-178.9-128.9000110.7H114 T115 T116 F139 Y211 N221 L224 Q360H114-Y219 AromaticContact CE1-CE1 3.96Å; H114-Y219 AromaticContact ND1-CE1 3.67Å; H114-Y219 AromaticContact ND1-CZ 3.57Å; H114-Y219 PolarHBondContact ND1-OH 2.88Å; T115-Y219 VanDerWaalsContact CA-OH 3.24Å; T115-Y219 WeakPolarHBondContact CA-OH 3.33Å; T115-Y219 PolarHBondContact N-OH 2.73Å; T116-Y219 HydrophobicContact CG2-CD2 3.98Å; T116-Y219 HydrophobicContact CG2-CE2 3.72Å; F139-Y219 HydrophobicContact CB-CD2 4.12Å; F139-Y219 HydrophobicContact CB-CE2 3.82Å; F139-Y219 AromaticContact CD1-CD2 3.85Å; F139-Y219 HydrophobicContact CD1-CD2 3.85Å; F139-Y219 HydrophobicContact CD1-CE2 4.38Å; F139-Y219 HydrophobicContact CG-CD2 4.26Å; F139-Y219 HydrophobicContact CG-CE2 4.46Å; Y211-Y219 HydrophobicContact CD1-CD1 4.03Å; Y211-Y219 HydrophobicContact CD1-CD2 4.21Å; Y211-Y219 AromaticContact CD1-CE1 3.63Å; Y211-Y219 HydrophobicContact CD1-CE1 3.63Å; Y211-Y219 AromaticContact CD1-CE2 3.85Å; Y211-Y219 HydrophobicContact CD1-CE2 3.85Å; Y211-Y219 HydrophobicContact CD1-CG 4.3Å; Y211-Y219 AromaticContact CD1-CZ 3.51Å; Y211-Y219 HydrophobicContact CD2-CD1 4.17Å; Y211-Y219 HydrophobicContact CD2-CE1 4.01Å; Y211-Y219 AromaticContact CE1-CE1 3.92Å; Y211-Y219 HydrophobicContact CE1-CE1 3.92Å; Y211-Y219 HydrophobicContact CE1-CE2 4.34Å; Y211-Y219 AromaticContact CE1-CZ 3.68Å; Y211-Y219 WeakPolarHBondContact CE1-OH 3.48Å; Y211-Y219 HydrophobicContact CE2-CE1 4.3Å; Y211-Y219 AromaticContact CG-CD1 3.71Å; Y211-Y219 HydrophobicContact CG-CD1 3.71Å; Y211-Y219 HydrophobicContact CG-CD2 4.47Å; Y211-Y219 AromaticContact CG-CE1 3.66Å; Y211-Y219 HydrophobicContact CG-CE1 3.66Å; Y211-Y219 HydrophobicContact CG-CE2 4.46Å; Y211-Y219 HydrophobicContact CG-CG 4.11Å; Y219-N221 HydrophobicContact CD1-CB 3.97Å; Y219-N221 HydrophobicContact CE1-CB 3.99Å; Y219-N221 PolarHBondContact O-N 2.83Å; Y219-N221 PolarHBondContact O-OD1 2.99Å; Y219-L224 HydrophobicContact CD2-CD1 3.87Å; Y219-L224 HydrophobicContact CE1-CD1 4.33Å; Y219-L224 HydrophobicContact CE2-CD1 3.14Å; Y219-L224 VanDerWaalsContact CZ-CD1 3.44Å; Y219-Q360 VanDerWaalsContact CB-OE1 3.23Å; Y219-Q360 PolarHBondContact O-N 3Å
220P97.1Very high89.8Confident2 Ų226 Ų261%0.01317%0.173CC..  trans-86.759.2-17336.7-37.3000111.5Y83 F139 S218 N222 L223 L224Y83-P220 HydrophobicContact CD1-CG 4.21Å; Y83-P220 HydrophobicContact CE1-CB 3.93Å; Y83-P220 HydrophobicContact CE1-CG 3.71Å; Y83-P220 HydrophobicContact CE2-CB 4.01Å; F139-P220 HydrophobicContact CD2-CG 3.78Å; F139-P220 HydrophobicContact CE2-CG 3.92Å; F139-P220 HydrophobicContact CG-CG 4.13Å; F139-P220 HydrophobicContact CZ-CG 4.37Å; S218-P220 WeakPolarHBondContact O-CD 3.31Å; P220-N222 VanDerWaalsContact C-N 3.29Å; P220-N222 PolarHBondContact O-N 2.79Å; P220-N222 VanDerWaalsContact O-N 3.16Å; P220-L223 HydrophobicContact CB-CB 4.12Å; P220-L223 HydrophobicContact CB-CD2 4.3Å; P220-L223 WeakPolarHBondContact O-CB 3.38Å; P220-L223 PolarHBondContact O-N 3.06Å; P220-L223 VanDerWaalsContact O-N 3.14Å; P220-L224 HydrophobicContact CG-CD1 4.27Å; P220-L224 HydrophobicContact CG-CG 4.27Å; P220-L224 WeakPolarHBondContact O-CG 3.38Å; P220-L224 PolarHBondContact O-N 2.85Å
221N97.4Very high90.7Very high5 Ų524.2 Ų24.23%0.02717%0.166CC..Hα-helixtrans-50.8-42.8-173.356.1-77.9000113.6Y219 L224 R225 K359 Q360 N364Y219-N221 HydrophobicContact CD1-CB 3.97Å; Y219-N221 HydrophobicContact CE1-CB 3.99Å; Y219-N221 PolarHBondContact O-N 2.83Å; Y219-N221 PolarHBondContact O-OD1 2.99Å; N221-L224 PolarHBondContact O-N 3.45Å; N221-R225 PolarHBondContact ND2-NH1 2.91Å; N221-R225 VanDerWaalsContact O-CG 3.25Å; N221-R225 WeakPolarHBondContact O-CG 3.25Å; N221-R225 PolarHBondContact O-N 3.45Å; N221-K359 WeakPolarHBondContact OD1-CA 3.25Å; N221-Q360 PolarHBondContact OD1-N 3.39Å; N221-Q360 PolarHBondContact OD1-O 3.49Å; N221-N364 VanDerWaalsContact ND2-CB 3.34Å; N221-N364 WeakPolarHBondContact ND2-CB 3.5Å; N221-N364 VanDerWaalsContact ND2-CG 3.34Å
222N98.5Very high91.2Very high0 Ų023.2 Ų23.20%016%0.163CC..Hα-helixtrans-72.6-37.3-177.9-82.11.1000113P220 L224 R225 N226 D355 N364P220-N222 VanDerWaalsContact C-N 3.29Å; P220-N222 PolarHBondContact O-N 2.79Å; P220-N222 VanDerWaalsContact O-N 3.16Å; N222-L224 VanDerWaalsContact C-N 3.32Å; N222-L224 PolarHBondContact O-N 3.14Å; N222-R225 PolarHBondContact O-N 3Å; N222-R225 PolarHBondContact OD1-NH1 3.33Å; N222-N226 VanDerWaalsContact O-CG 3.28Å; N222-N226 PolarHBondContact O-N 3.18Å; N222-N226 PolarHBondContact O-ND2 3.15Å; N222-D355 WeakPolarHBondContact CB-O 3.17Å; N222-D355 PolarHBondContact ND2-O 3.49Å; N222-N364 PolarHBondContact ND2-O 2.9Å
223L98.7Very high91.8Very high8 Ų827.2 Ų27.24%0.04218%0.176CC..Hα-helixtrans-59.3-45.8169.2171.263.2000110.3D78 Y83 V171 P220 R225 N226 V227 E356D78-L223 HydrophobicContact CB-CD1 4.01Å; D78-L223 HydrophobicContact CB-CD2 4.2Å; Y83-L223 HydrophobicContact CD1-CD2 4.37Å; Y83-L223 HydrophobicContact CD2-CD2 3.49Å; Y83-L223 VanDerWaalsContact CD2-CD2 3.49Å; Y83-L223 HydrophobicContact CE2-CD2 4.23Å; Y83-L223 HydrophobicContact CG-CD2 3.57Å; V171-L223 HydrophobicContact CG1-CD2 3.92Å; P220-L223 HydrophobicContact CB-CB 4.12Å; P220-L223 HydrophobicContact CB-CD2 4.3Å; P220-L223 WeakPolarHBondContact O-CB 3.38Å; P220-L223 PolarHBondContact O-N 3.06Å; P220-L223 VanDerWaalsContact O-N 3.14Å; L223-R225 PolarHBondContact O-N 3.15Å; L223-N226 CarbonylContact O-C 3.49Å; L223-N226 WeakPolarHBondContact O-CB 3.35Å; L223-N226 PolarHBondContact O-N 2.88Å; L223-N226 VanDerWaalsContact O-N 3.15Å; L223-V227 HydrophobicContact CD1-CG2 3.98Å; L223-V227 HydrophobicContact CG-CG2 4.33Å; L223-V227 VanDerWaalsContact O-CG2 3.31Å; L223-V227 WeakPolarHBondContact O-CG2 3.25Å; L223-V227 PolarHBondContact O-N 3.23Å; L223-E356 HydrophobicContact CB-CG 4.26Å; L223-E356 WeakPolarHBondContact CD1-OE1 3.27Å
224L98.8Very high92.5Very high0 Ų026.6 Ų26.60%017%0.173CC..Hα-helixtrans-64.9-40-179.7-61.5163.6000112.3H114 A137 F139 V171 Y219 P220 N221 N222 N226 V227 A228H114-L224 HydrophobicContact CB-CB 3.45Å; H114-L224 VanDerWaalsContact CB-CB 3.45Å; H114-L224 HydrophobicContact CB-CD1 4.26Å; H114-L224 HydrophobicContact CB-CG 4.44Å; A137-L224 HydrophobicContact CB-CB 4.02Å; A137-L224 HydrophobicContact CB-CD2 3.99Å; A137-L224 VanDerWaalsContact CB-O 3.27Å; A137-L224 WeakPolarHBondContact CB-O 3.47Å; F139-L224 HydrophobicContact CB-CD1 3.78Å; F139-L224 HydrophobicContact CB-CD2 3.96Å; F139-L224 HydrophobicContact CB-CG 4.46Å; V171-L224 HydrophobicContact CB-CD2 3.76Å; V171-L224 HydrophobicContact CG1-CD2 4.41Å; V171-L224 HydrophobicContact CG2-CD2 3.63Å; Y219-L224 HydrophobicContact CD2-CD1 3.87Å; Y219-L224 HydrophobicContact CE1-CD1 4.33Å; Y219-L224 HydrophobicContact CE2-CD1 3.14Å; Y219-L224 VanDerWaalsContact CZ-CD1 3.44Å; P220-L224 HydrophobicContact CG-CD1 4.27Å; P220-L224 HydrophobicContact CG-CG 4.27Å; P220-L224 WeakPolarHBondContact O-CG 3.38Å; P220-L224 PolarHBondContact O-N 2.85Å; N221-L224 PolarHBondContact O-N 3.45Å; N222-L224 VanDerWaalsContact C-N 3.32Å; N222-L224 PolarHBondContact O-N 3.14Å; L224-N226 VanDerWaalsContact C-N 3.31Å; L224-N226 PolarHBondContact O-N 2.78Å; L224-V227 PolarHBondContact O-N 2.9Å; L224-A228 WeakPolarHBondContact O-CB 3.5Å; L224-A228 PolarHBondContact O-N 2.82Å
225R98.6Very high93.5Very high7 Ų726.4 Ų26.43%0.02617%0.172CC..Hα-helixtrans-58.1-44.1171.8-71.4169.2-176.7159.9-3.6111.1H114 N221 N222 L223 R229 V239 D241 Y354 N364H114-R225 WeakPolarHBondContact CD2-CG 3.18Å; H114-R225 PolarHBondContact NE2-NE 3.46Å; H114-R225 VanDerWaalsContact NE2-NE 3.12Å; N221-R225 PolarHBondContact ND2-NH1 2.91Å; N221-R225 VanDerWaalsContact O-CG 3.25Å; N221-R225 WeakPolarHBondContact O-CG 3.25Å; N221-R225 PolarHBondContact O-N 3.45Å; N222-R225 PolarHBondContact O-N 3Å; N222-R225 PolarHBondContact OD1-NH1 3.33Å; L223-R225 PolarHBondContact O-N 3.15Å; R225-R229 WeakPolarHBondContact O-CB 3.36Å; R225-R229 PolarHBondContact O-N 2.99Å; R225-V239 HydrophobicContact CB-CG1 4.16Å; R225-V239 HydrophobicContact CG-CG1 3.75Å; R225-D241 IonicContact NH2-OD1 3.52Å; R225-D241 PolarHBondContact NH2-OD1 3.16Å; R225-Y354 HydrophobicContact CB-CD2 3.63Å; R225-Y354 HydrophobicContact CB-CE2 3.82Å; R225-Y354 HydrophobicContact CB-CG 4.24Å; R225-Y354 HydrophobicContact CG-CD2 4.46Å; R225-Y354 HydrophobicContact CG-CE2 4.36Å; R225-N364 PolarHBondContact NH1-OD1 3Å
226N98.6Very high94.7Very high11 Ų1124.8 Ų24.86%0.05915%0.145CC..Hα-helixtrans-66.9-39.6177.1-69.4-19.7000112.4N222 L223 L224 R229 G230 Y354 E356N222-N226 VanDerWaalsContact O-CG 3.28Å; N222-N226 PolarHBondContact O-N 3.18Å; N222-N226 PolarHBondContact O-ND2 3.15Å; L223-N226 CarbonylContact O-C 3.49Å; L223-N226 WeakPolarHBondContact O-CB 3.35Å; L223-N226 PolarHBondContact O-N 2.88Å; L223-N226 VanDerWaalsContact O-N 3.15Å; L224-N226 VanDerWaalsContact C-N 3.31Å; L224-N226 PolarHBondContact O-N 2.78Å; N226-R229 PolarHBondContact OD1-NH2 3.21Å; N226-G230 WeakPolarHBondContact O-CA 3.11Å; N226-G230 PolarHBondContact O-N 3Å; N226-Y354 PolarHBondContact ND2-O 3.14Å; N226-Y354 PolarHBondContact OD1-N 3.08Å; N226-E356 VanDerWaalsContact ND2-CG 3.27Å; N226-E356 WeakPolarHBondContact ND2-CG 3.42Å; N226-E356 PolarHBondContact ND2-OE1 2.87Å
227V98.7Very high95.7Very high4 Ų419 Ų192%0.02411%0.114CC..Hα-helixtrans-64.8-48.2177.1169.60000111.1V85 A137 H169 V171 L223 L224 G230 G231V85-V227 HydrophobicContact CG1-CG1 3.99Å; V85-V227 HydrophobicContact CG1-CG2 3.73Å; V85-V227 HydrophobicContact CG2-CG2 4.37Å; A137-V227 HydrophobicContact CB-CB 4.16Å; A137-V227 HydrophobicContact CB-CG1 4Å; H169-V227 HydrophobicContact CB-CG1 3.53Å; V171-V227 HydrophobicContact CG2-CG1 4.32Å; V171-V227 HydrophobicContact CG2-CG2 4.16Å; L223-V227 HydrophobicContact CD1-CG2 3.98Å; L223-V227 HydrophobicContact CG-CG2 4.33Å; L223-V227 VanDerWaalsContact O-CG2 3.31Å; L223-V227 WeakPolarHBondContact O-CG2 3.25Å; L223-V227 PolarHBondContact O-N 3.23Å; L224-V227 PolarHBondContact O-N 2.9Å; V227-G230 PolarHBondContact O-N 2.9Å; V227-G231 PolarHBondContact O-N 2.98Å; V227-G231 VanDerWaalsContact O-N 3.12Å
228A98.5Very high96.3Very high0 Ų017.7 Ų17.70%011%0.107CC..Hα-helixtrans-64-49.1176.900000111.4A112 T113 S135 A137 L224 G230 G231A112-A228 HydrophobicContact CB-CB 3.95Å; T113-A228 WeakPolarHBondContact O-CB 3.45Å; S135-A228 WeakPolarHBondContact CB-O 3.27Å; S135-A228 WeakPolarHBondContact OG-CA 3.38Å; S135-A228 PolarHBondContact OG-O 3.01Å; A137-A228 HydrophobicContact CB-CB 3.91Å; L224-A228 WeakPolarHBondContact O-CB 3.5Å; L224-A228 PolarHBondContact O-N 2.82Å; A228-G230 VanDerWaalsContact C-N 3.27Å; A228-G230 PolarHBondContact O-N 3.21Å; A228-G231 PolarHBondContact O-N 3.39Å
229R96.8Very high96.6Very high13 Ų1315.8 Ų15.85%0.0499%0.094CC..Hα-helixtrans-60.9-36.8177.8-170.5173.659.7-141.8-23.9112.5R225 N226 G231 T232 I237 L353R225-R229 WeakPolarHBondContact O-CB 3.36Å; R225-R229 PolarHBondContact O-N 2.99Å; N226-R229 PolarHBondContact OD1-NH2 3.21Å; R229-G231 VanDerWaalsContact C-N 3.27Å; R229-G231 PolarHBondContact O-N 2.57Å; R229-T232 WeakPolarHBondContact O-CG2 3.41Å; R229-I237 HydrophobicContact CG-CB 4.25Å; R229-I237 HydrophobicContact CG-CD1 3.31Å; R229-I237 HydrophobicContact CG-CG1 4.32Å; R229-I237 HydrophobicContact CG-CG2 3.97Å; R229-L353 VanDerWaalsContact NH2-CA 3.29Å
230G95.8Very high96.7Very high38 Ų3815.6 Ų15.639%0.3929%0.093SC..THydrogen-bonded Turntrans-78.8-5.417800000114.7N226 V227 A228N226-G230 WeakPolarHBondContact O-CA 3.11Å; N226-G230 PolarHBondContact O-N 3Å; V227-G230 PolarHBondContact O-N 2.9Å; A228-G230 VanDerWaalsContact C-N 3.27Å; A228-G230 PolarHBondContact O-N 3.21Å
231G92Very high96.7Very high12 Ų1216.7 Ų16.712%0.12410%0.099CC..THydrogen-bonded Turntrans-84-10.2177.200000114.5V227 A228 R229V227-G231 PolarHBondContact O-N 2.98Å; V227-G231 VanDerWaalsContact O-N 3.12Å; A228-G231 PolarHBondContact O-N 3.39Å; R229-G231 VanDerWaalsContact C-N 3.27Å; R229-G231 PolarHBondContact O-N 2.57Å
232T91.3Very high96.6Very high9 Ų916.6 Ų16.66%0.05510%0.098CC..  trans-118.6152-178.2178.30000112T110 R229 S234 I237 R349T110-T232 HydrophobicContact CG2-CG2 3.82Å; T110-T232 PolarHBondContact OG1-OG1 3.13Å; T110-T232 VanDerWaalsContact OG1-OG1 3.12Å; R229-T232 WeakPolarHBondContact O-CG2 3.41Å; T232-S234 PolarHBondContact OG1-N 3.09Å; T232-S234 VanDerWaalsContact OG1-N 3.14Å; T232-S234 PolarHBondContact OG1-OG 2.66Å; T232-I237 HydrophobicContact CG2-CD1 3.81Å; T232-I237 HydrophobicContact CG2-CG1 4.17Å; T232-R349 PolarHBondContact O-NH2 2.76Å
233E90.6Very high96.4Very high119 Ų11917.9 Ų17.956%0.55611%0.105SC*.  trans-97.50.3174.4-62.1-58.5123.200113R349E233-R349 IonicContact OE1-CZ 3.72Å; E233-R349 IonicContact OE1-NH1 2.99Å; E233-R349 IonicContact OE1-NH2 3.99Å; E233-R349 PolarHBondContact OE1-NH2 3.06Å; E233-R349 IonicContact OE2-CZ 3.16Å; E233-R349 IonicContact OE2-NH1 3.89Å; E233-R349 PolarHBondContact OE2-NH1 2.95Å; E233-R349 IonicContact OE2-NH2 2.72Å; E233-R349 PolarHBondContact OE2-NH2 2.89Å
234S93.6Very high96.3Very high1 Ų117.5 Ų17.51%0.00710%0.103CC..  trans-59146.7-176.7-59.30000113.7D107 T110 T232 Y236D107-S234 WeakPolarHBondContact O-CA 3.28Å; D107-S234 WeakPolarHBondContact O-CB 3.41Å; D107-S234 PolarHBondContact O-OG 3.28Å; D107-S234 PolarHBondContact OD1-OG 3.19Å; T110-S234 WeakPolarHBondContact CB-OG 3.29Å; T110-S234 PolarHBondContact OG1-OG 2.78Å; T232-S234 PolarHBondContact OG1-N 3.09Å; T232-S234 VanDerWaalsContact OG1-N 3.14Å; T232-S234 PolarHBondContact OG1-OG 2.66Å; S234-Y236 PolarHBondContact O-N 3.33Å
235S94.2Very high96.2Very high58 Ų5817.8 Ų17.841%0.40611%0.105SC..SBendtrans-68.5-34.8-178.3-60.70000112.9I108 P348 R349I108-S235 PolarHBondContact O-N 3.1Å; S235-P348 CarbonylContact O-C 3.56Å; S235-P348 VanDerWaalsContact O-CA 3.32Å; S235-P348 WeakPolarHBondContact O-CA 3.25Å; S235-R349 PolarHBondContact O-N 2.82Å
236Y97.8Very high96.2Very high31 Ų3117.5 Ų17.512%0.12210%0.104CC..EExtended strand (participates in β ladder)trans-123.9145.8178.4-67.3-86.7000111.1I108 L109 T110 S234 F254 I258 P263 F269 I346 G347 P348I108-Y236 HydrophobicContact CG2-CD2 4.03Å; I108-Y236 PolarHBondContact O-N 2.92Å; L109-Y236 WeakPolarHBondContact CA-O 3.48Å; T110-Y236 PolarHBondContact N-O 3.22Å; T110-Y236 VanDerWaalsContact N-O 3.11Å; S234-Y236 PolarHBondContact O-N 3.33Å; Y236-F254 HydrophobicContact CD1-CE1 4.03Å; Y236-F254 AromaticContact CD1-CZ 3.84Å; Y236-F254 HydrophobicContact CD1-CZ 3.84Å; Y236-F254 AromaticContact CD2-CE1 3.94Å; Y236-F254 HydrophobicContact CD2-CE1 3.94Å; Y236-F254 HydrophobicContact CD2-CZ 4.47Å; Y236-F254 HydrophobicContact CE1-CZ 4.23Å; Y236-F254 AromaticContact CG-CE1 3.67Å; Y236-F254 HydrophobicContact CG-CE1 3.67Å; Y236-F254 AromaticContact CG-CZ 3.98Å; Y236-F254 HydrophobicContact CG-CZ 3.98Å; Y236-I258 HydrophobicContact CD2-CD1 4.16Å; Y236-I258 HydrophobicContact CE2-CD1 3.88Å; Y236-P263 WeakPolarHBondContact OH-CB 3.48Å; Y236-P263 VanDerWaalsContact OH-CG 3.31Å; Y236-P263 WeakPolarHBondContact OH-CG 3.31Å; Y236-F269 HydrophobicContact CE1-CE2 4.18Å; Y236-I346 HydrophobicContact CD1-CG2 4.14Å; Y236-I346 HydrophobicContact CG-CG2 4.34Å; Y236-G347 WeakPolarHBondContact CA-O 3.39Å; Y236-P348 HydrophobicContact CD1-CB 4.4Å; Y236-P348 HydrophobicContact CE1-CB 4.11Å
237I98.3Very high96.1Very high4 Ų417.3 Ų17.32%0.02110%0.103CC..EExtended strand (participates in β ladder)trans-137.6130-175.8-51.9169.3000109.7T110 A112 R229 T232 V239 G347 R349T110-I237 WeakPolarHBondContact O-CA 3.39Å; A112-I237 HydrophobicContact CB-CG2 3.7Å; R229-I237 HydrophobicContact CG-CB 4.25Å; R229-I237 HydrophobicContact CG-CD1 3.31Å; R229-I237 HydrophobicContact CG-CG1 4.32Å; R229-I237 HydrophobicContact CG-CG2 3.97Å; T232-I237 HydrophobicContact CG2-CD1 3.81Å; T232-I237 HydrophobicContact CG2-CG1 4.17Å; I237-V239 HydrophobicContact CG2-CG2 4.16Å; I237-G347 PolarHBondContact N-O 2.82Å; I237-G347 PolarHBondContact O-N 3.03Å; I237-R349 HydrophobicContact CD1-CG 4.36Å
238L98.7Very high96Very high0 Ų017.9 Ų17.90%011%0.108CC..EExtended strand (participates in β ladder)trans-100.1116.3170.5175.555000109.2L109 T110 L111 A112 I240 L250 L271 Y345 I346L109-L238 HydrophobicContact CD1-CB 4.36Å; T110-L238 PolarHBondContact O-N 3.46Å; L111-L238 WeakPolarHBondContact CA-O 3.33Å; A112-L238 PolarHBondContact N-O 3.35Å; L238-I240 HydrophobicContact CD1-CG2 3.74Å; L238-I240 HydrophobicContact CD2-CG2 4.25Å; L238-I240 HydrophobicContact CG-CG2 3.81Å; L238-L250 HydrophobicContact CD2-CD2 3.63Å; L238-L271 HydrophobicContact CD1-CD1 4.23Å; L238-Y345 WeakPolarHBondContact CD1-O 3.45Å; L238-I346 HydrophobicContact CB-CG1 4Å; L238-I346 HydrophobicContact CD1-CG1 4.08Å; L238-I346 HydrophobicContact CG-CG1 4.43Å
239V98.6Very high95.9Very high5 Ų522.6 Ų22.63%0.0313%0.133CC..EExtended strand (participates in β ladder)trans-102.4107.5178-174.70000111A112 R225 I237 Y354 R365A112-V239 HydrophobicContact CB-CG2 4.27Å; A112-V239 WeakPolarHBondContact O-CA 3.45Å; R225-V239 HydrophobicContact CB-CG1 4.16Å; R225-V239 HydrophobicContact CG-CG1 3.75Å; I237-V239 HydrophobicContact CG2-CG2 4.16Å; V239-Y354 HydrophobicContact CG1-CE2 4.33Å; V239-Y354 HydrophobicContact CG2-CE2 4.39Å; V239-R365 PolarHBondContact O-NH1 3.32Å; V239-R365 PolarHBondContact O-NH2 3.01Å
240I98.1Very high95.9Very high0 Ų022.1 Ų22.10%013%0.132CC..EExtended strand (participates in β ladder)trans-125.2154.4178.965169.3000111.8L111 A112 T113 L126 L238 M244 F344 V387L111-I240 HydrophobicContact CD1-CD1 3.74Å; L111-I240 HydrophobicContact CD1-CG1 4.23Å; L111-I240 HydrophobicContact CD2-CD1 4.08Å; L111-I240 HydrophobicContact CD2-CG1 3.72Å; L111-I240 HydrophobicContact CG-CD1 4.15Å; L111-I240 HydrophobicContact CG-CG1 4.07Å; A112-I240 PolarHBondContact O-N 3Å; A112-I240 VanDerWaalsContact O-N 3.15Å; T113-I240 WeakPolarHBondContact CA-O 3.24Å; T113-I240 VanDerWaalsContact CB-O 3.31Å; T113-I240 WeakPolarHBondContact CB-O 3.42Å; T113-I240 PolarHBondContact OG1-O 3.28Å; L126-I240 HydrophobicContact CD1-CD1 4.05Å; L238-I240 HydrophobicContact CD1-CG2 3.74Å; L238-I240 HydrophobicContact CD2-CG2 4.25Å; L238-I240 HydrophobicContact CG-CG2 3.81Å; I240-M244 HydrophobicContact CB-CB 4.08Å; I240-M244 HydrophobicContact CD1-CB 4.15Å; I240-F344 HydrophobicContact CB-CD1 4.49Å; I240-F344 HydrophobicContact CG2-CD1 3.95Å; I240-F344 HydrophobicContact CG2-CE1 4.46Å; I240-V387 HydrophobicContact CG2-CG1 4.08Å
241D96.5Very high95.9Very high26 Ų2620.5 Ų20.514%0.13911%0.114CC..EExtended strand (participates in β ladder)trans-71.2149.7171.3-54.2-6.7000108.5H114 R225 D243 M244 R365H114-D241 IonicContact NE2-OD1 2.75Å; R225-D241 IonicContact NH2-OD1 3.52Å; R225-D241 PolarHBondContact NH2-OD1 3.16Å; D241-D243 WeakPolarHBondContact CB-OD1 3.43Å; D241-D243 PolarHBondContact O-N 3.01Å; D241-D243 VanDerWaalsContact O-N 3.13Å; D241-M244 HydrophobicContact CB-CG 3.91Å; D241-M244 VanDerWaalsContact O-CB 3.29Å; D241-M244 WeakPolarHBondContact O-CB 3.19Å; D241-M244 PolarHBondContact O-N 3.12Å; D241-R365 IonicContact OD1-CZ 3.17Å; D241-R365 IonicContact OD1-NE 2.68Å; D241-R365 IonicContact OD1-NH2 2.68Å; D241-R365 PolarHBondContact OD1-NH2 2.84Å
242I96.6Very high96.1Very high3 Ų324.1 Ų24.12%0.01513%0.128CC..THydrogen-bonded Turntrans-63.1-23.1-169.7-166.169000113.7T113 N119 H122 L126 M244T113-I242 HydrophobicContact CG2-CD1 3.49Å; T113-I242 VanDerWaalsContact CG2-CD1 3.49Å; T113-I242 WeakPolarHBondContact OG1-CA 3.39Å; T113-I242 PolarHBondContact OG1-N 2.99Å; N119-I242 HydrophobicContact CB-CG2 4.15Å; H122-I242 HydrophobicContact CB-CG1 3.94Å; H122-I242 HydrophobicContact CB-CG2 4.48Å; H122-I242 WeakPolarHBondContact CB-O 3.48Å; L126-I242 HydrophobicContact CD2-CD1 3.91Å; I242-M244 VanDerWaalsContact C-N 3.34Å
243D93.4Very high96.3Very high26 Ų2625.9 Ų25.914%0.13914%0.135CC..THydrogen-bonded Turntrans-90.83.9179.158-7.7000113.2D241 H389 K393D241-D243 WeakPolarHBondContact CB-OD1 3.43Å; D241-D243 PolarHBondContact O-N 3.01Å; D241-D243 VanDerWaalsContact O-N 3.13Å; D243-H389 IonicContact OD1-CD2 3.31Å; D243-H389 IonicContact OD2-CD2 3.32Å; D243-H389 PolarHBondContact OD2-CD2 3.14Å; D243-H389 IonicContact OD2-NE2 3.13Å; D243-H389 PolarHBondContact OD2-NE2 3.14Å; D243-H389 VanDerWaalsContact OD2-NE2 3.14Å; D243-K393 IonicContact OD2-NZ 2.79Å
244M96.4Very high96.5Very high0 Ų020.2 Ų20.20%011%0.109CC..EExtended strand (participates in β ladder)trans-93.4144.6173.2-59.3-71.3-6900110.8I240 D241 I242 A273 F301 F344 V387 H389I240-M244 HydrophobicContact CB-CB 4.08Å; I240-M244 HydrophobicContact CD1-CB 4.15Å; D241-M244 HydrophobicContact CB-CG 3.91Å; D241-M244 VanDerWaalsContact O-CB 3.29Å; D241-M244 WeakPolarHBondContact O-CB 3.19Å; D241-M244 PolarHBondContact O-N 3.12Å; I242-M244 VanDerWaalsContact C-N 3.34Å; M244-A273 HydrophobicContact CE-CB 4.41Å; M244-F301 HydrophobicContact SD-CE2 4.31Å; M244-F344 HydrophobicContact CE-CD2 4.42Å; M244-F344 HydrophobicContact CE-CE1 4.03Å; M244-F344 HydrophobicContact CE-CE2 3.85Å; M244-F344 HydrophobicContact CE-CZ 3.62Å; M244-F344 HydrophobicContact CG-CE1 4.26Å; M244-F344 HydrophobicContact CG-CZ 4.36Å; M244-F344 HydrophobicContact SD-CZ 4.22Å; M244-V387 HydrophobicContact CE-CB 3.83Å; M244-V387 HydrophobicContact CE-CG2 3.45Å; M244-V387 VanDerWaalsContact CE-CG2 3.45Å; M244-H389 HydrophobicContact CE-CB 4.44Å; M244-H389 HydrophobicContact SD-CB 3.5Å; M244-H389 VanDerWaalsContact SD-CB 3.5Å
245M97.4Very high96.6Very high7 Ų721 Ų213%0.03411%0.113CC..EExtended strand (participates in β ladder)trans-122120.4-179.3-166.961.560.900110.8S125 L126 R129 I282 V387 V388S125-M245 WeakPolarHBondContact O-CE 3.46Å; L126-M245 HydrophobicContact CD1-SD 4.32Å; R129-M245 HydrophobicContact CB-CG 4.38Å; R129-M245 HydrophobicContact CB-SD 3.22Å; R129-M245 WeakPolarHBondContact CB-SD 3.18Å; R129-M245 HydrophobicContact CG-CG 4.04Å; R129-M245 HydrophobicContact CG-SD 3.44Å; R129-M245 WeakPolarHBondContact CG-SD 3.32Å; M245-I282 HydrophobicContact CB-CG2 3.98Å; M245-I282 HydrophobicContact CG-CB 4.36Å; M245-I282 HydrophobicContact CG-CG2 3.9Å; M245-V387 CarbonylContact O-C 3.59Å; M245-V387 VanDerWaalsContact O-CA 3.31Å; M245-V387 WeakPolarHBondContact O-CA 3.35Å; M245-V388 PolarHBondContact N-O 3.33Å; M245-V388 PolarHBondContact O-N 3.23Å
246P98.3Very high96.6Very high1 Ų121.1 Ų21.11%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-73.1158.9174.430.2-33.2000111.9L111 R129 W130 L250 F386 V387L111-P246 HydrophobicContact CD1-CG 4.37Å; R129-P246 WeakPolarHBondContact CD-O 3.12Å; R129-P246 HydrophobicContact CG-CG 4.04Å; R129-P246 WeakPolarHBondContact CG-O 3.14Å; W130-P246 HydrophobicContact CE3-CG 4.22Å; P246-L250 HydrophobicContact CB-CD2 3.72Å; P246-F386 WeakPolarHBondContact CA-O 3.19Å; P246-V387 HydrophobicContact CB-CG1 4.41Å
247S97.4Very high96.5Very high6 Ų619.8 Ų19.84%0.04211%0.112CC..PPolyproline II helixtrans-55150.4166.459.50000111.2L250 F386S247-L250 WeakPolarHBondContact O-CB 3.33Å; S247-F386 VanDerWaalsContact CB-CE1 3.46Å; S247-F386 PolarHBondContact N-O 2.65Å
248A96.4Very high96.3Very high16 Ų1620.6 Ų20.613%0.13212%0.116CC..THydrogen-bonded Turntrans-60.4148.6178.900000111.9L250 Q253 S284A248-L250 PolarHBondContact O-N 3.2Å; A248-Q253 PolarHBondContact O-NE2 3.25Å; A248-Q253 VanDerWaalsContact O-NE2 3.1Å; A248-S284 WeakPolarHBondContact CB-O 3.21Å; A248-S284 PolarHBondContact N-O 3.36Å
249D95.4Very high96Very high99 Ų9926.6 Ų26.653%0.52915%0.148SC..THydrogen-bonded Turntrans55.521.4175.6-47.2-45.7000114.5H251 Q252 Q253D249-H251 PolarHBondContact O-N 3.41Å; D249-Q252 PolarHBondContact O-N 3.42Å; D249-Q252 PolarHBondContact O-OE1 3.38Å; D249-Q253 HydrophobicContact CB-CG 4.49Å; D249-Q253 VanDerWaalsContact O-CB 3.32Å; D249-Q253 WeakPolarHBondContact O-CB 3.44Å; D249-Q253 WeakPolarHBondContact O-CG 3.5Å; D249-Q253 PolarHBondContact O-N 3.03Å
250L97.1Very high95.7Very high3 Ų332.5 Ų32.52%0.01617%0.169CC..Hα-helixtrans-55.7-39.1-177.7173.461.1000111.8W130 L238 P246 S247 A248 F254 L271 L329 I346 A385W130-L250 HydrophobicContact CZ3-CB 4.21Å; W130-L250 HydrophobicContact CZ3-CD2 4.27Å; W130-L250 HydrophobicContact CZ3-CG 4.32Å; L238-L250 HydrophobicContact CD2-CD2 3.63Å; P246-L250 HydrophobicContact CB-CD2 3.72Å; S247-L250 WeakPolarHBondContact O-CB 3.33Å; A248-L250 PolarHBondContact O-N 3.2Å; L250-F254 WeakPolarHBondContact O-CB 3.45Å; L250-F254 PolarHBondContact O-N 3.07Å; L250-L271 HydrophobicContact CD1-CD2 4.23Å; L250-L271 HydrophobicContact CD2-CD2 3.58Å; L250-L329 HydrophobicContact CD1-CD2 4.39Å; L250-I346 HydrophobicContact CD1-CD1 4.26Å; L250-I346 HydrophobicContact CG-CD1 4.49Å; L250-A385 HydrophobicContact CD1-CB 3.45Å; L250-A385 VanDerWaalsContact CD1-CB 3.45Å
251H96.6Very high95.4Very high4 Ų436.4 Ų36.42%0.01918%0.184CC..Hα-helixtrans-59.1-60.6178.4-177.5-76.6000110.8S106 L109 W130 N132 D249 Q253 F254 L255S106-H251 PolarHBondContact O-NE2 3.28Å; L109-H251 PolarHBondContact O-CD2 3.44Å; L109-H251 PolarHBondContact O-NE2 3.1Å; L109-H251 VanDerWaalsContact O-NE2 3.09Å; W130-H251 HydrophobicContact CH2-CB 3.73Å; W130-H251 AromaticContact CH2-CD2 3.94Å; W130-H251 HydrophobicContact CZ2-CB 4.23Å; W130-H251 AromaticContact CZ2-CD2 3.75Å; W130-H251 HydrophobicContact CZ3-CB 3.95Å; N132-H251 HydrophobicContact CB-CB 4.3Å; N132-H251 VanDerWaalsContact CG-CG 3.43Å; N132-H251 WeakPolarHBondContact ND2-CB 3.32Å; N132-H251 PolarHBondContact OD1-CE1 3.24Å; N132-H251 PolarHBondContact OD1-ND1 2.86Å; D249-H251 PolarHBondContact O-N 3.41Å; H251-Q253 VanDerWaalsContact C-N 3.3Å; H251-Q253 PolarHBondContact O-N 3.29Å; H251-F254 PolarHBondContact O-N 3.3Å; H251-F254 VanDerWaalsContact O-N 3.11Å; H251-L255 VanDerWaalsContact CE1-CD2 3.48Å; H251-L255 WeakPolarHBondContact CE1-CD2 3.48Å; H251-L255 WeakPolarHBondContact O-CD1 3.36Å; H251-L255 PolarHBondContact O-N 2.94Å
252Q95.2Very high95.2Very high89 Ų8939.3 Ų39.342%0.41621%0.212SC..Hα-helixtrans-61.8-39.9-176.7-61.683.2-600111.6N132 D249 L255 A256N132-Q252 PolarHBondContact ND2-NE2 3.34Å; D249-Q252 PolarHBondContact O-N 3.42Å; D249-Q252 PolarHBondContact O-OE1 3.38Å; Q252-L255 PolarHBondContact O-N 3.33Å; Q252-A256 WeakPolarHBondContact O-CB 3.46Å; Q252-A256 PolarHBondContact O-N 2.89Å
253Q95.2Very high95.1Very high45 Ų4540.5 Ų40.521%0.2122%0.22CC..Hα-helixtrans-64.3-41.2176-75.9-175.660.300112.4A248 D249 H251 A256 M257 L329A248-Q253 PolarHBondContact O-NE2 3.25Å; A248-Q253 VanDerWaalsContact O-NE2 3.1Å; D249-Q253 HydrophobicContact CB-CG 4.49Å; D249-Q253 VanDerWaalsContact O-CB 3.32Å; D249-Q253 WeakPolarHBondContact O-CB 3.44Å; D249-Q253 WeakPolarHBondContact O-CG 3.5Å; D249-Q253 PolarHBondContact O-N 3.03Å; H251-Q253 VanDerWaalsContact C-N 3.3Å; H251-Q253 PolarHBondContact O-N 3.29Å; Q253-A256 PolarHBondContact O-N 3.38Å; Q253-M257 WeakPolarHBondContact O-CB 3.44Å; Q253-M257 PolarHBondContact O-N 2.64Å; Q253-L329 HydrophobicContact CB-CB 3.82Å; Q253-L329 HydrophobicContact CB-CD2 3.99Å
254F96.6Very high95.1Very high0 Ų040.7 Ų40.70%023%0.225CC..Hα-helixtrans-65.4-44.8176.5-176.2-99.4000111.8L109 Y236 L250 H251 A256 M257 I258 F269 L329 I346L109-F254 HydrophobicContact CB-CD1 4.36Å; L109-F254 HydrophobicContact CD2-CB 3.94Å; L109-F254 HydrophobicContact CD2-CD1 3.71Å; L109-F254 HydrophobicContact CD2-CG 3.97Å; L109-F254 HydrophobicContact CG-CD1 4.5Å; Y236-F254 HydrophobicContact CD1-CE1 4.03Å; Y236-F254 AromaticContact CD1-CZ 3.84Å; Y236-F254 HydrophobicContact CD1-CZ 3.84Å; Y236-F254 AromaticContact CD2-CE1 3.94Å; Y236-F254 HydrophobicContact CD2-CE1 3.94Å; Y236-F254 HydrophobicContact CD2-CZ 4.47Å; Y236-F254 HydrophobicContact CE1-CZ 4.23Å; Y236-F254 AromaticContact CG-CE1 3.67Å; Y236-F254 HydrophobicContact CG-CE1 3.67Å; Y236-F254 AromaticContact CG-CZ 3.98Å; Y236-F254 HydrophobicContact CG-CZ 3.98Å; L250-F254 WeakPolarHBondContact O-CB 3.45Å; L250-F254 PolarHBondContact O-N 3.07Å; H251-F254 PolarHBondContact O-N 3.3Å; H251-F254 VanDerWaalsContact O-N 3.11Å; F254-A256 PolarHBondContact O-N 2.89Å; F254-M257 HydrophobicContact CD2-CE 3.73Å; F254-M257 HydrophobicContact CE2-CE 3.67Å; F254-M257 WeakPolarHBondContact O-CB 3.22Å; F254-M257 PolarHBondContact O-N 3.26Å; F254-I258 HydrophobicContact CD1-CG2 4.23Å; F254-I258 HydrophobicContact CD2-CG2 4.44Å; F254-I258 HydrophobicContact CE1-CD1 4.13Å; F254-I258 HydrophobicContact CE1-CG2 3.75Å; F254-I258 HydrophobicContact CE2-CG2 3.98Å; F254-I258 HydrophobicContact CZ-CG2 3.61Å; F254-I258 WeakPolarHBondContact O-CG2 3.22Å; F254-I258 PolarHBondContact O-N 2.91Å; F254-F269 HydrophobicContact CE2-CB 4.12Å; F254-F269 HydrophobicContact CE2-CD1 4.33Å; F254-F269 AromaticContact CE2-CD2 3.47Å; F254-F269 HydrophobicContact CE2-CD2 3.47Å; F254-F269 VanDerWaalsContact CE2-CD2 3.47Å; F254-F269 AromaticContact CE2-CE2 3.89Å; F254-F269 HydrophobicContact CE2-CE2 3.89Å; F254-F269 AromaticContact CE2-CG 3.72Å; F254-F269 HydrophobicContact CE2-CG 3.72Å; F254-F269 HydrophobicContact CE2-CZ 4.46Å; F254-F269 AromaticContact CZ-CD2 3.67Å; F254-F269 HydrophobicContact CZ-CD2 3.67Å; F254-F269 AromaticContact CZ-CE2 3.82Å; F254-F269 HydrophobicContact CZ-CE2 3.82Å; F254-F269 HydrophobicContact CZ-CG 4.38Å; F254-L329 HydrophobicContact CB-CD2 4.18Å; F254-L329 HydrophobicContact CD2-CD2 4.5Å; F254-I346 HydrophobicContact CB-CD1 4.38Å; F254-I346 HydrophobicContact CD1-CG2 4.45Å; F254-I346 HydrophobicContact CD2-CD1 3.58Å; F254-I346 HydrophobicContact CD2-CG2 4.48Å; F254-I346 HydrophobicContact CE1-CG2 3.85Å; F254-I346 HydrophobicContact CE2-CB 4.22Å; F254-I346 HydrophobicContact CE2-CD1 3.95Å; F254-I346 HydrophobicContact CE2-CG2 3.88Å; F254-I346 HydrophobicContact CG-CD1 3.92Å; F254-I346 HydrophobicContact CZ-CB 4.34Å; F254-I346 HydrophobicContact CZ-CG2 3.53Å
255L95.1Very high95Very high18 Ų1846.5 Ų46.59%0.09426%0.26CS..Hα-helixtrans-57.2-49.1175.1-88.563.7000111.5N105 I108 L109 H251 Q252 M257 I258 L259N105-L255 HydrophobicContact CB-CD2 4.11Å; N105-L255 WeakPolarHBondContact O-CD2 3.47Å; I108-L255 HydrophobicContact CB-CD1 4.17Å; I108-L255 HydrophobicContact CB-CG 4.21Å; I108-L255 HydrophobicContact CD1-CG 4.27Å; I108-L255 HydrophobicContact CG2-CD1 4.16Å; I108-L255 HydrophobicContact CG2-CG 4.29Å; L109-L255 HydrophobicContact CB-CD1 4Å; H251-L255 VanDerWaalsContact CE1-CD2 3.48Å; H251-L255 WeakPolarHBondContact CE1-CD2 3.48Å; H251-L255 WeakPolarHBondContact O-CD1 3.36Å; H251-L255 PolarHBondContact O-N 2.94Å; Q252-L255 PolarHBondContact O-N 3.33Å; L255-M257 VanDerWaalsContact C-N 3.29Å; L255-M257 PolarHBondContact O-N 3.06Å; L255-I258 WeakPolarHBondContact O-CG1 3.47Å; L255-I258 PolarHBondContact O-N 3.25Å; L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.47Å; L255-L259 PolarHBondContact O-N 2.97Å; L255-L259 VanDerWaalsContact O-N 3.09Å
256A94.1Very high94.9Very high60 Ų6049.1 Ų49.150%0.49628%0.275SS..Hα-helixtrans-60-40.7177.800000112Q252 Q253 F254 R260Q252-A256 WeakPolarHBondContact O-CB 3.46Å; Q252-A256 PolarHBondContact O-N 2.89Å; Q253-A256 PolarHBondContact O-N 3.38Å; F254-A256 PolarHBondContact O-N 2.89Å; A256-R260 PolarHBondContact O-N 3.14Å
257M95.1Very high94.9Very high3 Ų349.1 Ų49.12%0.01527%0.274CS..Hα-helixtrans-62.7-48.9178-175.3-167.870.100111.8Q253 F254 L255 L259 R260 R261 F269 L329 V331 L382Q253-M257 WeakPolarHBondContact O-CB 3.44Å; Q253-M257 PolarHBondContact O-N 2.64Å; F254-M257 HydrophobicContact CD2-CE 3.73Å; F254-M257 HydrophobicContact CE2-CE 3.67Å; F254-M257 WeakPolarHBondContact O-CB 3.22Å; F254-M257 PolarHBondContact O-N 3.26Å; L255-M257 VanDerWaalsContact C-N 3.29Å; L255-M257 PolarHBondContact O-N 3.06Å; M257-L259 VanDerWaalsContact C-N 3.3Å; M257-L259 PolarHBondContact O-N 3.28Å; M257-R260 PolarHBondContact O-N 3.35Å; M257-R261 PolarHBondContact O-N 2.78Å; M257-F269 HydrophobicContact CE-CD1 3.74Å; M257-F269 HydrophobicContact CE-CE1 3.55Å; M257-F269 HydrophobicContact CE-CG 4.39Å; M257-F269 HydrophobicContact CE-CZ 4.08Å; M257-L329 HydrophobicContact SD-CD2 4.35Å; M257-L329 HydrophobicContact SD-CG 4.07Å; M257-V331 HydrophobicContact SD-CG2 4.46Å; M257-L382 HydrophobicContact CE-CD2 3.77Å; M257-L382 HydrophobicContact SD-CD2 3.66Å
258I94.7Very high94.9Very high21 Ų2148.9 Ų48.911%0.10827%0.272CS..Hα-helixtrans-71.9-24.8-176.469.7172000113I108 Y236 F254 L255 R261 P263I108-I258 HydrophobicContact CG2-CD1 3.54Å; Y236-I258 HydrophobicContact CD2-CD1 4.16Å; Y236-I258 HydrophobicContact CE2-CD1 3.88Å; F254-I258 HydrophobicContact CD1-CG2 4.23Å; F254-I258 HydrophobicContact CD2-CG2 4.44Å; F254-I258 HydrophobicContact CE1-CD1 4.13Å; F254-I258 HydrophobicContact CE1-CG2 3.75Å; F254-I258 HydrophobicContact CE2-CG2 3.98Å; F254-I258 HydrophobicContact CZ-CG2 3.61Å; F254-I258 WeakPolarHBondContact O-CG2 3.22Å; F254-I258 PolarHBondContact O-N 2.91Å; L255-I258 WeakPolarHBondContact O-CG1 3.47Å; L255-I258 PolarHBondContact O-N 3.25Å; I258-R261 CarbonylContact C-O 3.45Å; I258-R261 WeakPolarHBondContact CA-O 3.5Å; I258-R261 CarbonylContact O-C 3.57Å; I258-R261 VanDerWaalsContact O-C 3.24Å; I258-R261 VanDerWaalsContact O-O 3.06Å; I258-P263 HydrophobicContact CB-CG 3.86Å; I258-P263 HydrophobicContact CG2-CG 3.58Å
259L92.3Very high95Very high126 Ų12648.1 Ų48.166%0.6627%0.266SS*.Hα-helixtrans-69.8-34.8171.7-72173.2000111.9L255 M257L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.47Å; L255-L259 PolarHBondContact O-N 2.97Å; L255-L259 VanDerWaalsContact O-N 3.09Å; M257-L259 VanDerWaalsContact C-N 3.3Å; M257-L259 PolarHBondContact O-N 3.28Å
260R92.9Very high95.2Very high129 Ų12943.4 Ų43.449%0.48724%0.241SC..Hα-helixtrans-78.1-33.3174.8-178.517563.6-164.3-2112.3A256 M257 L329 D330A256-R260 PolarHBondContact O-N 3.14Å; M257-R260 PolarHBondContact O-N 3.35Å; R260-L329 PolarHBondContact NH2-O 3.43Å; R260-D330 IonicContact NH2-OD2 3.99Å
261R91Very high95.2Very high82 Ų8243.3 Ų43.331%0.30924%0.241SC..SBendtrans-134.7105-176.1179-170.5170.8-126-11.9109.7M257 I258 P263 E267M257-R261 PolarHBondContact O-N 2.78Å; I258-R261 CarbonylContact C-O 3.45Å; I258-R261 WeakPolarHBondContact CA-O 3.5Å; I258-R261 CarbonylContact O-C 3.57Å; I258-R261 VanDerWaalsContact O-C 3.24Å; I258-R261 VanDerWaalsContact O-O 3.06Å; R261-P263 WeakPolarHBondContact O-CD 3.48Å; R261-P263 VanDerWaalsContact O-N 3.17Å; R261-E267 IonicContact CZ-OE1 3.68Å; R261-E267 IonicContact CZ-OE2 3.14Å; R261-E267 IonicContact NH1-OE1 2.73Å; R261-E267 PolarHBondContact NH1-OE1 3.16Å; R261-E267 VanDerWaalsContact NH2-CD 3.32Å; R261-E267 IonicContact NH2-OE1 3.49Å; R261-E267 PolarHBondContact NH2-OE1 2.82Å; R261-E267 IonicContact NH2-OE2 3.61Å; R261-E267 PolarHBondContact NH2-OE2 3.27Å; R261-E267 VanDerWaalsContact NH2-OE2 3.09Å
262A91.9Very high95.3Very high88 Ų8843.1 Ų43.173%0.72724%0.24SC*.PPolyproline II helixtrans-57.3118.8172.900000110.6
263P94.7Very high95.5Very high28 Ų2838.9 Ų38.918%0.18222%0.22CC..PPolyproline II helixtrans-66.2150.5174.5-25.439.4000111.4Y236 I258 R261 F269Y236-P263 WeakPolarHBondContact OH-CB 3.48Å; Y236-P263 VanDerWaalsContact OH-CG 3.31Å; Y236-P263 WeakPolarHBondContact OH-CG 3.31Å; I258-P263 HydrophobicContact CB-CG 3.86Å; I258-P263 HydrophobicContact CG2-CG 3.58Å; R261-P263 WeakPolarHBondContact O-CD 3.48Å; R261-P263 VanDerWaalsContact O-N 3.17Å; P263-F269 HydrophobicContact CB-CE2 3.9Å; P263-F269 HydrophobicContact CB-CZ 3.66Å; P263-F269 HydrophobicContact CG-CE2 3.99Å; P263-F269 HydrophobicContact CG-CZ 3.7Å
264A94.5Very high95.6Very high30 Ų3036.8 Ų36.825%0.24821%0.21CC..PPolyproline II helixtrans-72156.616500000110.9D266 E267A264-D266 WeakPolarHBondContact CB-OD1 3.42Å; A264-D266 PolarHBondContact O-N 3.35Å; A264-E267 HydrophobicContact CB-CB 4.18Å; A264-E267 PolarHBondContact N-OE2 2.62Å; A264-E267 WeakPolarHBondContact O-CB 3.43Å; A264-E267 PolarHBondContact O-N 3.2Å
265V92.6Very high95.6Very high121 Ų12136.8 Ų36.873%0.73321%0.21SC*.THydrogen-bonded Turntrans-61.2-32.8179.3179.80000111.6
266D95.4Very high95.7Very high63 Ų6336.1 Ų36.134%0.33721%0.206SC..THydrogen-bonded Turntrans-103.739.6-178.864.4-29.7000111.8A264 F377 R378A264-D266 WeakPolarHBondContact CB-OD1 3.42Å; A264-D266 PolarHBondContact O-N 3.35Å; D266-F377 CarbonylContact O-C 3.59Å; D266-F377 VanDerWaalsContact O-CA 3.27Å; D266-F377 WeakPolarHBondContact O-CA 3.43Å; D266-R378 PolarHBondContact O-N 2.87Å; D266-R378 IonicContact OD1-NE 3.73Å
267E98.1Very high95.4Very high1 Ų139 Ų391%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-120.2130.4178.5-172.9171-177.600111.6R261 A264 F269 P348 R378 S380R261-E267 IonicContact CZ-OE1 3.68Å; R261-E267 IonicContact CZ-OE2 3.14Å; R261-E267 IonicContact NH1-OE1 2.73Å; R261-E267 PolarHBondContact NH1-OE1 3.16Å; R261-E267 VanDerWaalsContact NH2-CD 3.32Å; R261-E267 IonicContact NH2-OE1 3.49Å; R261-E267 PolarHBondContact NH2-OE1 2.82Å; R261-E267 IonicContact NH2-OE2 3.61Å; R261-E267 PolarHBondContact NH2-OE2 3.27Å; R261-E267 VanDerWaalsContact NH2-OE2 3.09Å; A264-E267 HydrophobicContact CB-CB 4.18Å; A264-E267 PolarHBondContact N-OE2 2.62Å; A264-E267 WeakPolarHBondContact O-CB 3.43Å; A264-E267 PolarHBondContact O-N 3.2Å; E267-F269 HydrophobicContact CG-CE1 4.36Å; E267-F269 HydrophobicContact CG-CE2 4.48Å; E267-F269 HydrophobicContact CG-CZ 4.18Å; E267-P348 VanDerWaalsContact O-CD 3.25Å; E267-P348 WeakPolarHBondContact O-CD 3.26Å; E267-R378 IonicContact OE2-NH2 2.67Å; E267-R378 PolarHBondContact OE2-NH2 2.68Å; E267-R378 VanDerWaalsContact OE2-NH2 3.1Å; E267-S380 VanDerWaalsContact OE1-CB 3.29Å; E267-S380 WeakPolarHBondContact OE1-CB 3.19Å; E267-S380 PolarHBondContact OE1-OG 2.93Å
268V98.6Very high94.6Very high0 Ų046 Ų460%024%0.237CC..EExtended strand (participates in β ladder)trans-113143.4167.4-61.90000110.1Y345 V351 L372 F377 R378 F379 S380V268-Y345 HydrophobicContact CB-CD2 3.93Å; V268-Y345 HydrophobicContact CB-CG 4.23Å; V268-Y345 HydrophobicContact CG1-CD2 3.93Å; V268-Y345 HydrophobicContact CG1-CE2 4.2Å; V268-V351 HydrophobicContact CG1-CG2 3.88Å; V268-L372 HydrophobicContact CG1-CD1 4.38Å; V268-L372 HydrophobicContact CG1-CD2 4.19Å; V268-F377 HydrophobicContact CG1-CD1 3.84Å; V268-F377 HydrophobicContact CG1-CE1 4.43Å; V268-R378 WeakPolarHBondContact CG2-O 3.33Å; V268-R378 PolarHBondContact N-O 3.1Å; V268-F379 HydrophobicContact CG2-CD1 3.4Å; V268-F379 HydrophobicContact CG2-CE1 3.78Å; V268-F379 HydrophobicContact CG2-CG 4.13Å; V268-S380 PolarHBondContact O-N 3.1Å
269F98.6Very high93.4Very high1 Ų146.5 Ų46.50%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-103.5108.6-177.4-61.9-84.3000109.8Y236 F254 M257 P263 E267 L271 V331 Y345 I346 S380 L382Y236-F269 HydrophobicContact CE1-CE2 4.18Å; F254-F269 HydrophobicContact CE2-CB 4.12Å; F254-F269 HydrophobicContact CE2-CD1 4.33Å; F254-F269 AromaticContact CE2-CD2 3.47Å; F254-F269 HydrophobicContact CE2-CD2 3.47Å; F254-F269 VanDerWaalsContact CE2-CD2 3.47Å; F254-F269 AromaticContact CE2-CE2 3.89Å; F254-F269 HydrophobicContact CE2-CE2 3.89Å; F254-F269 AromaticContact CE2-CG 3.72Å; F254-F269 HydrophobicContact CE2-CG 3.72Å; F254-F269 HydrophobicContact CE2-CZ 4.46Å; F254-F269 AromaticContact CZ-CD2 3.67Å; F254-F269 HydrophobicContact CZ-CD2 3.67Å; F254-F269 AromaticContact CZ-CE2 3.82Å; F254-F269 HydrophobicContact CZ-CE2 3.82Å; F254-F269 HydrophobicContact CZ-CG 4.38Å; M257-F269 HydrophobicContact CE-CD1 3.74Å; M257-F269 HydrophobicContact CE-CE1 3.55Å; M257-F269 HydrophobicContact CE-CG 4.39Å; M257-F269 HydrophobicContact CE-CZ 4.08Å; P263-F269 HydrophobicContact CB-CE2 3.9Å; P263-F269 HydrophobicContact CB-CZ 3.66Å; P263-F269 HydrophobicContact CG-CE2 3.99Å; P263-F269 HydrophobicContact CG-CZ 3.7Å; E267-F269 HydrophobicContact CG-CE1 4.36Å; E267-F269 HydrophobicContact CG-CE2 4.48Å; E267-F269 HydrophobicContact CG-CZ 4.18Å; F269-L271 WeakPolarHBondContact O-CD1 3.45Å; F269-V331 HydrophobicContact CD1-CG2 3.95Å; F269-V331 HydrophobicContact CE1-CG2 3.91Å; F269-Y345 CarbonylContact O-C 3.54Å; F269-Y345 WeakPolarHBondContact O-CA 3.33Å; F269-Y345 WeakPolarHBondContact O-CB 3.46Å; F269-I346 HydrophobicContact CB-CB 4.26Å; F269-I346 PolarHBondContact N-O 2.91Å; F269-I346 PolarHBondContact O-N 2.93Å; F269-S380 CarbonylContact C-O 3.56Å; F269-S380 VanDerWaalsContact CA-O 3.28Å; F269-S380 WeakPolarHBondContact CA-O 3.37Å; F269-L382 HydrophobicContact CB-CD1 4Å; F269-L382 HydrophobicContact CB-CD2 4Å; F269-L382 HydrophobicContact CB-CG 3.95Å; F269-L382 HydrophobicContact CD1-CD2 3.81Å; F269-L382 HydrophobicContact CG-CD2 4.28Å
270V98.6Very high92.6Very high0 Ų053.1 Ų53.10%026%0.26CS..EExtended strand (participates in β ladder)trans-83134.1-174.3176.30000110.7W341 P343 F344 F379 S380 V381 L382V270-W341 HydrophobicContact CG1-CH2 4.44Å; V270-W341 HydrophobicContact CG1-CZ2 3.96Å; V270-W341 HydrophobicContact CG2-CH2 3.81Å; V270-W341 HydrophobicContact CG2-CZ2 4.17Å; V270-P343 HydrophobicContact CG1-CB 4.01Å; V270-P343 HydrophobicContact CG2-CB 4.28Å; V270-F344 WeakPolarHBondContact CA-O 3.17Å; V270-F379 HydrophobicContact CG2-CB 4.11Å; V270-F379 HydrophobicContact CG2-CD1 4.05Å; V270-S380 PolarHBondContact N-O 2.77Å; V270-V381 HydrophobicContact CB-CG2 4.24Å; V270-V381 HydrophobicContact CG1-CG2 4.43Å; V270-L382 PolarHBondContact O-N 3.19Å
271L98.4Very high92.3Very high1 Ų153.5 Ų53.51%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-106.1119172-70.285.6000108L238 L250 F269 A273 F344 I346 L382 A385 V387L238-L271 HydrophobicContact CD1-CD1 4.23Å; L250-L271 HydrophobicContact CD1-CD2 4.23Å; L250-L271 HydrophobicContact CD2-CD2 3.58Å; F269-L271 WeakPolarHBondContact O-CD1 3.45Å; L271-A273 PolarHBondContact O-N 3.48Å; L271-F344 PolarHBondContact N-O 2.83Å; L271-I346 HydrophobicContact CD1-CD1 4.1Å; L271-I346 HydrophobicContact CD1-CG1 3.88Å; L271-L382 HydrophobicContact CD1-CD1 4.01Å; L271-L382 HydrophobicContact CG-CD1 4.11Å; L271-A385 HydrophobicContact CD2-CB 3.99Å; L271-A385 HydrophobicContact CG-CB 4.14Å; L271-V387 HydrophobicContact CD2-CG1 4.01Å
272P98.1Very high92.5Very high0 Ų049.9 Ų49.90%025%0.252CS..  trans-57.3136.3169.8-26.938000111F274 T313 Y315 W318 V381 A385 F386 V387P272-F274 HydrophobicContact CB-CE2 3.71Å; P272-F274 HydrophobicContact CB-CZ 4.21Å; P272-T313 HydrophobicContact CB-CG2 3.76Å; P272-T313 HydrophobicContact CG-CG2 3.7Å; P272-Y315 HydrophobicContact CB-CD1 4.47Å; P272-Y315 HydrophobicContact CB-CE1 3.93Å; P272-W318 HydrophobicContact CB-CD2 4.32Å; P272-W318 HydrophobicContact CG-CD2 3.83Å; P272-W318 HydrophobicContact CG-CG 3.77Å; P272-W318 HydrophobicContact CG-CZ2 4.34Å; P272-V381 HydrophobicContact CG-CG1 3.9Å; P272-A385 WeakPolarHBondContact CD-O 3.4Å; P272-F386 WeakPolarHBondContact O-CA 3.27Å; P272-F386 WeakPolarHBondContact O-CB 3.36Å; P272-V387 PolarHBondContact O-N 3.3Å; P272-V387 VanDerWaalsContact O-N 3.08Å
273A98.2Very high92.6Very high0 Ų045.8 Ų45.80%022%0.219CC..EExtended strand (participates in β ladder)trans-108.2133.7-175.500000110.3M244 L271 F301 Y315 F344 V387M244-A273 HydrophobicContact CE-CB 4.41Å; L271-A273 PolarHBondContact O-N 3.48Å; A273-F301 HydrophobicContact CB-CB 3.74Å; A273-F301 HydrophobicContact CB-CG 4.32Å; A273-F301 WeakPolarHBondContact O-CB 3.44Å; A273-F301 PolarHBondContact O-N 2.74Å; A273-Y315 PolarHBondContact N-OH 3.09Å; A273-Y315 VanDerWaalsContact O-CE1 3.31Å; A273-Y315 WeakPolarHBondContact O-CE1 3.44Å; A273-Y315 PolarHBondContact O-OH 3.44Å; A273-F344 HydrophobicContact CB-CD2 3.52Å; A273-F344 HydrophobicContact CB-CE2 3.78Å; A273-V387 WeakPolarHBondContact CA-O 3.28Å; A273-V387 HydrophobicContact CB-CG2 3.76Å
274F98.2Very high92.7Very high0 Ų045.2 Ų45.20%022%0.215CC..EExtended strand (participates in β ladder)trans-126.5162.4-179.2-62.9-92.4000110.6P272 L289 Y293 V298 R299 Y315 W318 F386 V387 V388 H389P272-F274 HydrophobicContact CB-CE2 3.71Å; P272-F274 HydrophobicContact CB-CZ 4.21Å; F274-L289 HydrophobicContact CB-CD1 4.37Å; F274-L289 HydrophobicContact CD2-CD1 4.18Å; F274-L289 HydrophobicContact CD2-CD2 3.78Å; F274-L289 HydrophobicContact CE1-CD2 4.39Å; F274-L289 HydrophobicContact CE2-CD2 3.49Å; F274-L289 VanDerWaalsContact CE2-CD2 3.49Å; F274-L289 HydrophobicContact CG-CD1 4.18Å; F274-L289 HydrophobicContact CG-CD2 4.35Å; F274-L289 HydrophobicContact CZ-CD2 3.83Å; F274-Y293 HydrophobicContact CD1-CD2 4.41Å; F274-Y293 HydrophobicContact CE1-CD2 4.06Å; F274-Y293 HydrophobicContact CE1-CE2 4.24Å; F274-V298 HydrophobicContact CB-CG1 3.71Å; F274-V298 HydrophobicContact CD1-CG1 3.6Å; F274-V298 HydrophobicContact CE1-CG1 4.5Å; F274-V298 HydrophobicContact CG-CG1 3.9Å; F274-R299 CarbonylContact C-O 3.54Å; F274-R299 VanDerWaalsContact CA-O 3.25Å; F274-R299 WeakPolarHBondContact CA-O 3.37Å; F274-R299 WeakPolarHBondContact CB-O 3.38Å; F274-Y315 HydrophobicContact CD1-CD1 4.27Å; F274-Y315 HydrophobicContact CD1-CE1 4.18Å; F274-Y315 AromaticContact CE1-CD1 3.47Å; F274-Y315 HydrophobicContact CE1-CD1 3.47Å; F274-Y315 VanDerWaalsContact CE1-CD1 3.47Å; F274-Y315 AromaticContact CE1-CE1 3.75Å; F274-Y315 HydrophobicContact CE1-CE1 3.75Å; F274-Y315 HydrophobicContact CE2-CD1 4.34Å; F274-Y315 HydrophobicContact CE2-CE1 4.09Å; F274-Y315 AromaticContact CZ-CD1 3.51Å; F274-Y315 HydrophobicContact CZ-CD1 3.51Å; F274-Y315 AromaticContact CZ-CE1 3.7Å; F274-Y315 HydrophobicContact CZ-CE1 3.7Å; F274-W318 HydrophobicContact CE2-CE3 4.26Å; F274-W318 HydrophobicContact CE2-CH2 4.21Å; F274-W318 AromaticContact CE2-CZ3 3.8Å; F274-W318 HydrophobicContact CE2-CZ3 3.8Å; F274-W318 AromaticContact CZ-CE3 3.86Å; F274-W318 HydrophobicContact CZ-CE3 3.86Å; F274-W318 AromaticContact CZ-CZ3 3.67Å; F274-W318 HydrophobicContact CZ-CZ3 3.67Å; F274-F386 HydrophobicContact CD2-CB 4.18Å; F274-F386 HydrophobicContact CE2-CB 4.09Å; F274-V387 PolarHBondContact N-O 3.06Å; F274-V388 HydrophobicContact CB-CG2 4.46Å; F274-V388 CarbonylContact O-C 3.59Å; F274-V388 WeakPolarHBondContact O-CA 3.29Å; F274-H389 PolarHBondContact O-N 3.06Å
275E97.1Very high92.7Very high0 Ų047 Ų470%022%0.223CC..EExtended strand (participates in β ladder)trans-121.4148.716453.8-174.1-139.500109.7V298 R299 F301 Y302 H389 F392 K393E275-V298 WeakPolarHBondContact O-CA 3.33Å; E275-R299 HydrophobicContact CG-CG 3.64Å; E275-R299 PolarHBondContact N-O 2.93Å; E275-R299 PolarHBondContact O-N 2.59Å; E275-R299 IonicContact OE1-CZ 2.66Å; E275-R299 IonicContact OE1-NE 2.78Å; E275-R299 PolarHBondContact OE1-NE 2.83Å; E275-R299 IonicContact OE1-NH2 3.5Å; E275-R299 PolarHBondContact OE1-NH2 3.27Å; E275-F301 HydrophobicContact CB-CD2 4.27Å; E275-Y302 PolarHBondContact OE2-N 3.37Å; E275-H389 WeakPolarHBondContact CA-O 3.1Å; E275-H389 HydrophobicContact CB-CB 4.24Å; E275-F392 HydrophobicContact CB-CD1 4.07Å; E275-F392 HydrophobicContact CG-CD1 3.75Å; E275-F392 HydrophobicContact CG-CE1 4.12Å; E275-F392 HydrophobicContact CG-CG 4.48Å; E275-F392 WeakPolarHBondContact O-CE1 3.29Å; E275-K393 PolarHBondContact OE1-N 3.19Å; E275-K393 WeakPolarHBondContact OE2-CB 3.42Å; E275-K393 PolarHBondContact OE2-N 2.94Å; E275-K393 VanDerWaalsContact OE2-N 3.08Å
276I95.8Very high92.8Very high4 Ų442 Ų422%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-125.3129.7-177-168.1164000110.2A279 I282 P283 L292 E297 V298 V388 H389 G391I276-A279 HydrophobicContact CD1-CB 3.3Å; I276-A279 HydrophobicContact CG1-CB 3.73Å; I276-A279 HydrophobicContact CG2-CB 4.28Å; I276-I282 HydrophobicContact CG2-CD1 3.63Å; I276-P283 HydrophobicContact CD1-CG 4.44Å; I276-L292 HydrophobicContact CD1-CD1 3.91Å; I276-E297 WeakPolarHBondContact CA-O 3.3Å; I276-V298 HydrophobicContact CB-CG2 3.98Å; I276-V298 HydrophobicContact CD1-CG2 3.61Å; I276-V298 HydrophobicContact CG1-CG2 3.64Å; I276-V388 HydrophobicContact CB-CG1 3.81Å; I276-V388 HydrophobicContact CG2-CG1 3.59Å; I276-H389 WeakPolarHBondContact CG2-O 3.29Å; I276-H389 PolarHBondContact N-O 3.02Å; I276-H389 VanDerWaalsContact N-O 3.08Å; I276-G391 CarbonylContact O-C 3.44Å; I276-G391 WeakPolarHBondContact O-CA 3.27Å; I276-G391 PolarHBondContact O-N 3Å
277R88.5Confident92.8Very high121 Ų12142 Ų4246%0.45720%0.201SC..SBendtrans-71.1-65.6-170.3-169.6-176.6-70.7-174.3-4.1111.9E297 F392R277-E297 PolarHBondContact N-O 2.91Å; R277-F392 HydrophobicContact CB-CD1 3.91Å; R277-F392 HydrophobicContact CB-CD2 4.08Å; R277-F392 HydrophobicContact CB-CE1 3.65Å; R277-F392 HydrophobicContact CB-CE2 3.85Å; R277-F392 HydrophobicContact CB-CG 4.13Å; R277-F392 HydrophobicContact CB-CZ 3.62Å; R277-F392 HydrophobicContact CG-CD2 4.11Å; R277-F392 HydrophobicContact CG-CE2 4.19Å; R277-F392 HydrophobicContact CG-CG 4.34Å; R277-F392 HydrophobicContact CG-CZ 4.45Å
278H79.3Confident92.6Very high150 Ų15045 Ų4569%0.69422%0.215SC*.SBendtrans-135.498.4-176.6-61.2-46.4000109.4
279A68.4Low92.5Very high32 Ų3245.1 Ų45.126%0.26422%0.215SC..  trans-127.2117.6177.200000111.4I276 K281 I282I276-A279 HydrophobicContact CD1-CB 3.3Å; I276-A279 HydrophobicContact CG1-CB 3.73Å; I276-A279 HydrophobicContact CG2-CB 4.28Å; A279-K281 WeakPolarHBondContact CB-O 3.49Å; A279-K281 PolarHBondContact O-N 2.94Å; A279-I282 HydrophobicContact CB-CD1 4.42Å
280R75.2Confident92.3Very high264 Ų26446.1 Ų46.1100%0.99622%0.221SC*.SBendtrans-57.5-31.3162.3-64.1-173.5-175.4-170.51.8110.6
281K87.3Confident92.1Very high137 Ų13752 Ų5260%0.59625%0.249SC*.SBendtrans-139.6128-179.3-175.3-178.7177.2-169.30111.1A279A279-K281 WeakPolarHBondContact CB-O 3.49Å; A279-K281 PolarHBondContact O-N 2.94Å
282I94.4Very high92Very high6 Ų654.3 Ų54.33%0.03126%0.261CS..  trans-71.9134.1173.8-55.9-61.1000109.5R129 M245 I276 A279 S284 V388 R390R129-I282 PolarHBondContact NH2-O 2.77Å; M245-I282 HydrophobicContact CB-CG2 3.98Å; M245-I282 HydrophobicContact CG-CB 4.36Å; M245-I282 HydrophobicContact CG-CG2 3.9Å; I276-I282 HydrophobicContact CG2-CD1 3.63Å; A279-I282 HydrophobicContact CB-CD1 4.42Å; I282-S284 PolarHBondContact O-N 3.47Å; I282-V388 HydrophobicContact CG2-CB 3.96Å; I282-V388 HydrophobicContact CG2-CG1 4.29Å; I282-V388 HydrophobicContact CG2-CG2 4.23Å; I282-R390 HydrophobicContact CD1-CG 3.79Å; I282-R390 HydrophobicContact CG1-CG 4.44Å; I282-R390 VanDerWaalsContact CG1-CZ 3.45Å
283P95.6Very high91.8Very high3 Ų357.8 Ų57.82%0.01927%0.274CS..  trans-57134.2178.222.5-33.1000110.5I276 E288 L289 L292 F386 V388I276-P283 HydrophobicContact CD1-CG 4.44Å; P283-E288 HydrophobicContact CB-CB 3.88Å; P283-L289 HydrophobicContact CB-CB 3.99Å; P283-L289 HydrophobicContact CB-CD1 4.39Å; P283-L289 HydrophobicContact CG-CB 4.13Å; P283-L289 HydrophobicContact CG-CD1 3.6Å; P283-L289 HydrophobicContact CG-CG 4.48Å; P283-L292 HydrophobicContact CB-CD1 4.01Å; P283-L292 HydrophobicContact CG-CD1 3.96Å; P283-F386 HydrophobicContact CB-CZ 4.42Å; P283-F386 HydrophobicContact CG-CE2 4.31Å; P283-F386 WeakPolarHBondContact O-CZ 3.34Å; P283-V388 HydrophobicContact CG-CG2 4.27Å
284S95.3Very high91.6Very high16 Ų1664.7 Ų64.711%0.11231%0.307CS..  trans-95.1-28.1-177-55.60000111.2R129 A248 I282 E288R129-S284 PolarHBondContact NH1-OG 2.85Å; R129-S284 PolarHBondContact NH2-OG 3.38Å; A248-S284 WeakPolarHBondContact CB-O 3.21Å; A248-S284 PolarHBondContact N-O 3.36Å; I282-S284 PolarHBondContact O-N 3.47Å; S284-E288 PolarHBondContact N-OE2 2.81Å
285T95.3Very high91.4Very high66 Ų6669.8 Ų69.841%0.40534%0.338SS..SBendtrans-125.7159-177.371.90000111.6A287 E288 L289 F386T285-A287 PolarHBondContact O-N 3.33Å; T285-E288 PolarHBondContact O-N 2.82Å; T285-E288 WeakPolarHBondContact OG1-CG 3.28Å; T285-E288 PolarHBondContact OG1-N 3.42Å; T285-L289 PolarHBondContact O-N 2.81Å; T285-F386 VanDerWaalsContact C-CE1 3.47Å
286K95.2Very high91.2Very high16 Ų1671.8 Ų71.87%0.0736%0.358CS..Hα-helixtrans-58.3-37.1175176.1174.9179.7-175.30111.6L289 V290 W318 S321 V323 S383K286-L289 PolarHBondContact O-N 2.98Å; K286-V290 HydrophobicContact CG-CG2 4.05Å; K286-V290 WeakPolarHBondContact O-CB 3.35Å; K286-V290 VanDerWaalsContact O-CG2 3.25Å; K286-V290 WeakPolarHBondContact O-CG2 3.44Å; K286-V290 PolarHBondContact O-N 3.12Å; K286-W318 HydrophobicContact CB-CH2 4.18Å; K286-W318 HydrophobicContact CD-CH2 3.81Å; K286-W318 HydrophobicContact CD-CZ2 3.85Å; K286-W318 HydrophobicContact CD-CZ3 4.19Å; K286-W318 WeakPolarHBondContact CE-O 3.29Å; K286-W318 HydrophobicContact CG-CH2 3.67Å; K286-W318 HydrophobicContact CG-CZ2 4.2Å; K286-W318 HydrophobicContact CG-CZ3 4Å; K286-W318 PolarHBondContact NZ-O 3.05Å; K286-S321 PolarHBondContact NZ-O 2.91Å; K286-S321 PolarHBondContact NZ-OG 3.42Å; K286-V323 HydrophobicContact CD-CG2 4.43Å; K286-S383 WeakPolarHBondContact CD-O 3.21Å; K286-S383 PolarHBondContact NZ-O 3.19Å
287A93.8Very high91.2Very high65 Ų6574.7 Ų74.754%0.53737%0.372SS..Hα-helixtrans-61.1-47.9178.500000111.7T285 V290 Q291T285-A287 PolarHBondContact O-N 3.33Å; A287-V290 PolarHBondContact O-N 2.82Å; A287-Q291 WeakPolarHBondContact O-CG 3.42Å; A287-Q291 PolarHBondContact O-N 3.36Å; A287-Q291 VanDerWaalsContact O-N 3.1Å
288E94.9Very high91.6Very high64 Ų6469 Ų6930%0.29935%0.351SS..Hα-helixtrans-61.5-44.6175.2-69.1177174.400111.5P283 S284 T285 V290 Q291 L292P283-E288 HydrophobicContact CB-CB 3.88Å; S284-E288 PolarHBondContact N-OE2 2.81Å; T285-E288 PolarHBondContact O-N 2.82Å; T285-E288 WeakPolarHBondContact OG1-CG 3.28Å; T285-E288 PolarHBondContact OG1-N 3.42Å; E288-V290 PolarHBondContact O-N 2.76Å; E288-Q291 PolarHBondContact O-N 3.1Å; E288-L292 WeakPolarHBondContact O-CG 3.1Å; E288-L292 PolarHBondContact O-N 3.45Å; E288-L292 VanDerWaalsContact O-N 3.12Å
289L95.9Very high92.4Very high1 Ų162.9 Ų62.91%0.00532%0.321CS..Hα-helixtrans-60.7-44.1178.2-178.688.9000111.7F274 P283 T285 K286 L292 Y293 V298 W318 F386 V388F274-L289 HydrophobicContact CB-CD1 4.37Å; F274-L289 HydrophobicContact CD2-CD1 4.18Å; F274-L289 HydrophobicContact CD2-CD2 3.78Å; F274-L289 HydrophobicContact CE1-CD2 4.39Å; F274-L289 HydrophobicContact CE2-CD2 3.49Å; F274-L289 VanDerWaalsContact CE2-CD2 3.49Å; F274-L289 HydrophobicContact CG-CD1 4.18Å; F274-L289 HydrophobicContact CG-CD2 4.35Å; F274-L289 HydrophobicContact CZ-CD2 3.83Å; P283-L289 HydrophobicContact CB-CB 3.99Å; P283-L289 HydrophobicContact CB-CD1 4.39Å; P283-L289 HydrophobicContact CG-CB 4.13Å; P283-L289 HydrophobicContact CG-CD1 3.6Å; P283-L289 HydrophobicContact CG-CG 4.48Å; T285-L289 PolarHBondContact O-N 2.81Å; K286-L289 PolarHBondContact O-N 2.98Å; L289-L292 PolarHBondContact O-N 2.95Å; L289-Y293 WeakPolarHBondContact O-CB 3.47Å; L289-Y293 PolarHBondContact O-N 3.32Å; L289-V298 HydrophobicContact CD1-CG1 3.77Å; L289-V298 HydrophobicContact CD1-CG2 4.34Å; L289-V298 HydrophobicContact CG-CG1 4.36Å; L289-W318 HydrophobicContact CD2-CH2 3.64Å; L289-W318 HydrophobicContact CD2-CZ3 3.53Å; L289-F386 HydrophobicContact CB-CE1 4.31Å; L289-F386 HydrophobicContact CB-CE2 4.43Å; L289-F386 HydrophobicContact CB-CZ 4.12Å; L289-F386 HydrophobicContact CD1-CD2 3.99Å; L289-F386 HydrophobicContact CD1-CE2 3.89Å; L289-F386 HydrophobicContact CD1-CZ 4.43Å; L289-F386 HydrophobicContact CD2-CB 4.31Å; L289-F386 HydrophobicContact CD2-CD1 3.95Å; L289-F386 HydrophobicContact CD2-CD2 4.03Å; L289-F386 HydrophobicContact CD2-CE1 4.28Å; L289-F386 HydrophobicContact CD2-CE2 4.36Å; L289-F386 HydrophobicContact CD2-CG 3.82Å; L289-F386 HydrophobicContact CD2-CZ 4.47Å; L289-F386 HydrophobicContact CG-CE2 4.47Å; L289-V388 HydrophobicContact CD1-CG2 3.89Å
290V95.3Very high93.8Very high22 Ų2262 Ų6213%0.13331%0.313CS..Hα-helixtrans-65.7-38.2179.4168.30000111.5K286 A287 E288 L292 Y293 Q294 V319K286-V290 HydrophobicContact CG-CG2 4.05Å; K286-V290 WeakPolarHBondContact O-CB 3.35Å; K286-V290 VanDerWaalsContact O-CG2 3.25Å; K286-V290 WeakPolarHBondContact O-CG2 3.44Å; K286-V290 PolarHBondContact O-N 3.12Å; A287-V290 PolarHBondContact O-N 2.82Å; E288-V290 PolarHBondContact O-N 2.76Å; V290-L292 VanDerWaalsContact C-N 3.33Å; V290-L292 PolarHBondContact O-N 3.31Å; V290-Y293 WeakPolarHBondContact O-CB 3.39Å; V290-Y293 PolarHBondContact O-N 2.78Å; V290-Q294 HydrophobicContact CG1-CG 4.49Å; V290-Q294 VanDerWaalsContact O-CG 3.29Å; V290-Q294 WeakPolarHBondContact O-CG 3.46Å; V290-Q294 PolarHBondContact O-N 3.13Å; V290-V319 HydrophobicContact CG1-CG1 3.99Å; V290-V319 HydrophobicContact CG2-CB 4.49Å; V290-V319 HydrophobicContact CG2-CG1 4.01Å; V290-V319 HydrophobicContact CG2-CG2 4.44Å
291Q94.1Very high94.8Very high124 Ų12449.7 Ų49.758%0.57927%0.266SS*.Hα-helixtrans-59.8-45.4173.1-71.8171.3-9.500111.3A287 E288 Y293 Q294 V295A287-Q291 WeakPolarHBondContact O-CG 3.42Å; A287-Q291 PolarHBondContact O-N 3.36Å; A287-Q291 VanDerWaalsContact O-N 3.1Å; E288-Q291 PolarHBondContact O-N 3.1Å; Q291-Y293 VanDerWaalsContact C-N 3.33Å; Q291-Q294 PolarHBondContact O-N 3Å; Q291-V295 PolarHBondContact O-N 2.98Å
292L95.4Very high95.1Very high49 Ų4944.8 Ų44.826%0.25725%0.245SC..Hα-helixtrans-67.9-33.6177.5-66.2171.3000112.7I276 P283 E288 L289 V290 V295 G296 E297 V298I276-L292 HydrophobicContact CD1-CD1 3.91Å; P283-L292 HydrophobicContact CB-CD1 4.01Å; P283-L292 HydrophobicContact CG-CD1 3.96Å; E288-L292 WeakPolarHBondContact O-CG 3.1Å; E288-L292 PolarHBondContact O-N 3.45Å; E288-L292 VanDerWaalsContact O-N 3.12Å; L289-L292 PolarHBondContact O-N 2.95Å; V290-L292 VanDerWaalsContact C-N 3.33Å; V290-L292 PolarHBondContact O-N 3.31Å; L292-V295 WeakPolarHBondContact O-CG2 3.5Å; L292-V295 PolarHBondContact O-N 3.18Å; L292-G296 PolarHBondContact O-N 3.1Å; L292-E297 HydrophobicContact CB-CB 4.24Å; L292-E297 HydrophobicContact CD2-CB 4.16Å; L292-E297 HydrophobicContact CD2-CG 4.49Å; L292-E297 PolarHBondContact O-N 2.8Å; L292-V298 HydrophobicContact CB-CB 4.16Å; L292-V298 HydrophobicContact CB-CG2 3.58Å; L292-V298 HydrophobicContact CD1-CG2 4.2Å; L292-V298 PolarHBondContact O-N 3.09Å
293Y94.8Very high95.1Very high73 Ų7348.5 Ų48.529%0.28626%0.262SS..Hα-helixtrans-64.1-43.2174.3-175.6-88.7000111.5F274 L289 V290 Q291 V295 G296 V298 P300 V319F274-Y293 HydrophobicContact CD1-CD2 4.41Å; F274-Y293 HydrophobicContact CE1-CD2 4.06Å; F274-Y293 HydrophobicContact CE1-CE2 4.24Å; L289-Y293 WeakPolarHBondContact O-CB 3.47Å; L289-Y293 PolarHBondContact O-N 3.32Å; V290-Y293 WeakPolarHBondContact O-CB 3.39Å; V290-Y293 PolarHBondContact O-N 2.78Å; Q291-Y293 VanDerWaalsContact C-N 3.33Å; Y293-V295 VanDerWaalsContact C-N 3.26Å; Y293-V295 PolarHBondContact O-N 3.06Å; Y293-G296 PolarHBondContact O-N 3.26Å; Y293-G296 VanDerWaalsContact O-N 3.13Å; Y293-V298 HydrophobicContact CD2-CG1 4.48Å; Y293-P300 HydrophobicContact CE2-CG 4.44Å; Y293-V319 HydrophobicContact CD1-CG1 4.37Å; Y293-V319 HydrophobicContact CD1-CG2 4.32Å; Y293-V319 HydrophobicContact CE1-CG2 4.37Å; Y293-V319 HydrophobicContact CG-CG2 4.46Å
294Q93.8Very high95Very high145 Ų14552.4 Ų52.468%0.67828%0.28SS*.Hα-helixtrans-63.5-29.4-179.9-74.3170.9-13.300113.6V290 Q291V290-Q294 HydrophobicContact CG1-CG 4.49Å; V290-Q294 VanDerWaalsContact O-CG 3.29Å; V290-Q294 WeakPolarHBondContact O-CG 3.46Å; V290-Q294 PolarHBondContact O-N 3.13Å; Q291-Q294 PolarHBondContact O-N 3Å
295V93.9Very high94.8Very high107 Ų10753 Ų5365%0.64828%0.281SS*.THydrogen-bonded Turntrans-96.14.1177.8-58.40000113.4Q291 L292 Y293 E297Q291-V295 PolarHBondContact O-N 2.98Å; L292-V295 WeakPolarHBondContact O-CG2 3.5Å; L292-V295 PolarHBondContact O-N 3.18Å; Y293-V295 VanDerWaalsContact C-N 3.26Å; Y293-V295 PolarHBondContact O-N 3.06Å; V295-E297 VanDerWaalsContact C-N 3.35Å; V295-E297 HydrophobicContact CG2-CB 4.29Å; V295-E297 HydrophobicContact CG2-CG 3.96Å; V295-E297 PolarHBondContact O-N 3.35Å
296G93.2Very high94.8Very high42 Ų4251.2 Ų51.243%0.43327%0.272SS..THydrogen-bonded Turntrans77.212.8176.100000115.6L292 Y293L292-G296 PolarHBondContact O-N 3.1Å; Y293-G296 PolarHBondContact O-N 3.26Å; Y293-G296 VanDerWaalsContact O-N 3.13Å
297E95.4Very high94.7Very high65 Ų6554.4 Ų54.430%0.30429%0.294SS..SBendtrans-77.9-26.4174.2-75.1-61.4150.700112.4I276 R277 L292 V295I276-E297 WeakPolarHBondContact CA-O 3.3Å; R277-E297 PolarHBondContact N-O 2.91Å; L292-E297 HydrophobicContact CB-CB 4.24Å; L292-E297 HydrophobicContact CD2-CB 4.16Å; L292-E297 HydrophobicContact CD2-CG 4.49Å; L292-E297 PolarHBondContact O-N 2.8Å; V295-E297 VanDerWaalsContact C-N 3.35Å; V295-E297 HydrophobicContact CG2-CB 4.29Å; V295-E297 HydrophobicContact CG2-CG 3.96Å; V295-E297 PolarHBondContact O-N 3.35Å
298V96.5Very high94.8Very high3 Ų359.5 Ų59.52%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-121140.8178.2171.10000109.5F274 E275 I276 L289 L292 Y293F274-V298 HydrophobicContact CB-CG1 3.71Å; F274-V298 HydrophobicContact CD1-CG1 3.6Å; F274-V298 HydrophobicContact CE1-CG1 4.5Å; F274-V298 HydrophobicContact CG-CG1 3.9Å; E275-V298 WeakPolarHBondContact O-CA 3.33Å; I276-V298 HydrophobicContact CB-CG2 3.98Å; I276-V298 HydrophobicContact CD1-CG2 3.61Å; I276-V298 HydrophobicContact CG1-CG2 3.64Å; L289-V298 HydrophobicContact CD1-CG1 3.77Å; L289-V298 HydrophobicContact CD1-CG2 4.34Å; L289-V298 HydrophobicContact CG-CG1 4.36Å; L292-V298 HydrophobicContact CB-CB 4.16Å; L292-V298 HydrophobicContact CB-CG2 3.58Å; L292-V298 HydrophobicContact CD1-CG2 4.2Å; L292-V298 PolarHBondContact O-N 3.09Å; Y293-V298 HydrophobicContact CD2-CG1 4.48Å
299R96.4Very high94.8Very high21 Ų2156.8 Ų56.88%0.07929%0.287CS..EExtended strand (participates in β ladder)trans-143.4166.2174.570.3-174.1-173.6-178.32111.8F274 E275 E303 E304 F392F274-R299 CarbonylContact C-O 3.54Å; F274-R299 VanDerWaalsContact CA-O 3.25Å; F274-R299 WeakPolarHBondContact CA-O 3.37Å; F274-R299 WeakPolarHBondContact CB-O 3.38Å; E275-R299 HydrophobicContact CG-CG 3.64Å; E275-R299 PolarHBondContact N-O 2.93Å; E275-R299 PolarHBondContact O-N 2.59Å; E275-R299 IonicContact OE1-CZ 2.66Å; E275-R299 IonicContact OE1-NE 2.78Å; E275-R299 PolarHBondContact OE1-NE 2.83Å; E275-R299 IonicContact OE1-NH2 3.5Å; E275-R299 PolarHBondContact OE1-NH2 3.27Å; R299-E303 WeakPolarHBondContact CB-OE2 3.29Å; R299-E303 VanDerWaalsContact CD-OE2 3.27Å; R299-E303 WeakPolarHBondContact CD-OE2 3.13Å; R299-E303 HydrophobicContact CG-CB 4.24Å; R299-E304 IonicContact CZ-OE1 3.07Å; R299-E304 IonicContact NH1-OE1 3.82Å; R299-E304 PolarHBondContact NH1-OE1 2.83Å; R299-E304 VanDerWaalsContact NH2-CD 3.31Å; R299-E304 IonicContact NH2-OE1 3.88Å; R299-E304 PolarHBondContact NH2-OE1 2.94Å; R299-E304 VanDerWaalsContact NH2-OE1 3.16Å; R299-E304 IonicContact NH2-OE2 3.62Å; R299-F392 HydrophobicContact CG-CD1 4.49Å; R299-F392 HydrophobicContact CG-CE1 3.92Å; R299-F392 HydrophobicContact CG-CE2 4.35Å; R299-F392 HydrophobicContact CG-CZ 3.84Å
300P97.4Very high94.8Very high13 Ų1357 Ų578%0.08429%0.288CS..EExtended strand (participates in β ladder)trans-54.2142.5174.2-24.436.8000111.4Y293 Y302 E303 Y315Y293-P300 HydrophobicContact CE2-CG 4.44Å; P300-Y302 PolarHBondContact O-N 2.74Å; P300-E303 HydrophobicContact CB-CB 4.46Å; P300-E303 WeakPolarHBondContact CD-OE1 3.49Å; P300-E303 VanDerWaalsContact O-CB 3.32Å; P300-E303 WeakPolarHBondContact O-CB 3.39Å; P300-E303 PolarHBondContact O-N 3.25Å; P300-E303 VanDerWaalsContact O-N 3.15Å; P300-Y315 HydrophobicContact CB-CD1 4.12Å; P300-Y315 HydrophobicContact CB-CD2 4Å; P300-Y315 HydrophobicContact CB-CE1 3.97Å; P300-Y315 HydrophobicContact CB-CE2 3.86Å; P300-Y315 HydrophobicContact CB-CG 4.15Å; P300-Y315 HydrophobicContact CG-CD1 4.01Å; P300-Y315 HydrophobicContact CG-CD2 4.06Å; P300-Y315 HydrophobicContact CG-CE1 4.37Å; P300-Y315 HydrophobicContact CG-CE2 4.42Å; P300-Y315 HydrophobicContact CG-CG 3.86Å
301F96.8Very high94.8Very high5 Ų558.8 Ų58.82%0.02231%0.306CS..THydrogen-bonded Turntrans-58.4137.9178.3-172.2-116.8000110.6M244 A273 E275 E303 Q310 F344 H389 K393M244-F301 HydrophobicContact SD-CE2 4.31Å; A273-F301 HydrophobicContact CB-CB 3.74Å; A273-F301 HydrophobicContact CB-CG 4.32Å; A273-F301 WeakPolarHBondContact O-CB 3.44Å; A273-F301 PolarHBondContact O-N 2.74Å; E275-F301 HydrophobicContact CB-CD2 4.27Å; F301-E303 PolarHBondContact O-N 2.91Å; F301-Q310 HydrophobicContact CB-CG 4.33Å; F301-Q310 WeakPolarHBondContact O-CG 3.43Å; F301-F344 HydrophobicContact CD1-CE2 4.17Å; F301-F344 HydrophobicContact CE1-CE2 4.24Å; F301-F344 HydrophobicContact CE1-CZ 4.44Å; F301-H389 HydrophobicContact CD2-CB 3.84Å; F301-H389 HydrophobicContact CE2-CB 3.56Å; F301-H389 AromaticContact CE2-CG 3.78Å; F301-K393 HydrophobicContact CE2-CG 4.08Å
302Y94.3Very high94.9Very high35 Ų3554.1 Ų54.114%0.13729%0.286CS..THydrogen-bonded Turntrans56.427-176.6-65.6-18.2000115E275 P300 E304 L305 C306 K393E275-Y302 PolarHBondContact OE2-N 3.37Å; P300-Y302 PolarHBondContact O-N 2.74Å; Y302-E304 PolarHBondContact O-N 3.01Å; Y302-L305 HydrophobicContact CD1-CD1 3.78Å; Y302-L305 HydrophobicContact CE1-CD1 4.03Å; Y302-L305 PolarHBondContact O-N 3.01Å; Y302-L305 VanDerWaalsContact O-N 3.13Å; Y302-C306 CarbonylContact O-C 3.22Å; Y302-C306 VanDerWaalsContact O-C 3.22Å; Y302-C306 PolarHBondContact O-N 3.09Å; Y302-K393 HydrophobicContact CD1-CB 3.8Å; Y302-K393 HydrophobicContact CD1-CG 4.05Å; Y302-K393 HydrophobicContact CE1-CB 3.87Å; Y302-K393 HydrophobicContact CE1-CD 4.46Å; Y302-K393 HydrophobicContact CE1-CG 3.77Å
303E94.2Very high94.9Very high84 Ų8451.8 Ų51.839%0.39327%0.274SS..THydrogen-bonded Turntrans-54.2-40.9178.2-178.9167.5-111.400112.5R299 P300 F301 P307R299-E303 WeakPolarHBondContact CB-OE2 3.29Å; R299-E303 VanDerWaalsContact CD-OE2 3.27Å; R299-E303 WeakPolarHBondContact CD-OE2 3.13Å; R299-E303 HydrophobicContact CG-CB 4.24Å; P300-E303 HydrophobicContact CB-CB 4.46Å; P300-E303 WeakPolarHBondContact CD-OE1 3.49Å; P300-E303 VanDerWaalsContact O-CB 3.32Å; P300-E303 WeakPolarHBondContact O-CB 3.39Å; P300-E303 PolarHBondContact O-N 3.25Å; P300-E303 VanDerWaalsContact O-N 3.15Å; F301-E303 PolarHBondContact O-N 2.91Å; E303-P307 WeakPolarHBondContact O-CD 3.37Å; E303-P307 VanDerWaalsContact O-CG 3.22Å; E303-P307 WeakPolarHBondContact O-CG 3.37Å
304E93.6Very high94.9Very high85 Ų8551.4 Ų51.440%0.39728%0.277SS..THydrogen-bonded Turntrans-78.3-35.3176.5-78.7-178.4-152.900113.5R299 Y302 I394 H395R299-E304 IonicContact CZ-OE1 3.07Å; R299-E304 IonicContact NH1-OE1 3.82Å; R299-E304 PolarHBondContact NH1-OE1 2.83Å; R299-E304 VanDerWaalsContact NH2-CD 3.31Å; R299-E304 IonicContact NH2-OE1 3.88Å; R299-E304 PolarHBondContact NH2-OE1 2.94Å; R299-E304 VanDerWaalsContact NH2-OE1 3.16Å; R299-E304 IonicContact NH2-OE2 3.62Å; Y302-E304 PolarHBondContact O-N 3.01Å; E304-I394 WeakPolarHBondContact OE2-CG2 3.44Å; E304-H395 PolarHBondContact O-NE2 2.69Å
305L91.8Very high95.1Very high27 Ų2745.3 Ų45.314%0.14125%0.247CC..THydrogen-bonded Turntrans-88.1-37.4-168.3-62.2175000113.4Y302 K393 F398Y302-L305 HydrophobicContact CD1-CD1 3.78Å; Y302-L305 HydrophobicContact CE1-CD1 4.03Å; Y302-L305 PolarHBondContact O-N 3.01Å; Y302-L305 VanDerWaalsContact O-N 3.13Å; L305-K393 HydrophobicContact CD1-CB 3.59Å; L305-K393 WeakPolarHBondContact CG-O 3.31Å; L305-F398 HydrophobicContact CD1-CE2 3.35Å; L305-F398 HydrophobicContact CD1-CZ 3.31Å; L305-F398 HydrophobicContact CD2-CE2 3.92Å; L305-F398 HydrophobicContact CG-CE2 4.29Å
306C93.9Very high95.1Very high30 Ų3043.7 Ų43.720%0.20324%0.241CC..  trans-15678.1178.4-171.40000111Y302 R308 C309Y302-C306 CarbonylContact O-C 3.22Å; Y302-C306 VanDerWaalsContact O-C 3.22Å; Y302-C306 PolarHBondContact O-N 3.09Å; C306-R308 PolarHBondContact O-N 3.4Å; C306-R308 VanDerWaalsContact O-N 3.11Å; C306-C309 HydrophobicContact CB-CB 3.66Å; C306-C309 WeakPolarHBondContact CB-SG 3.44Å; C306-C309 WeakPolarHBondContact O-CB 3.31Å; C306-C309 PolarHBondContact O-N 3.32Å; C306-C309 WeakPolarHBondContact SG-CB 3.48Å; C306-C309 PolarHBondContact SG-N 3.14Å; C306-C309 CovalentContact SG-SG 2.03Å; C306-C309 PolarHBondContact SG-SG 2.96Å
307P92.7Very high95.2Very high82 Ų8245.8 Ų45.853%0.53224%0.239SC..Hα-helixtrans-53.6-36.9176.6-1515000112.8E303 C309 A311E303-P307 WeakPolarHBondContact O-CD 3.37Å; E303-P307 VanDerWaalsContact O-CG 3.22Å; E303-P307 WeakPolarHBondContact O-CG 3.37Å; P307-C309 VanDerWaalsContact C-N 3.26Å; P307-C309 PolarHBondContact O-N 3.07Å; P307-A311 WeakPolarHBondContact O-CB 3.23Å; P307-A311 PolarHBondContact O-N 2.63Å; P307-A311 VanDerWaalsContact O-N 3.11Å
308R95.7Very high95.2Very high172 Ų17242.7 Ų42.765%0.64923%0.225SC*.Hα-helixtrans-66.2-25.1178.2-67-174.662.4-173.8-5.4113.6C306 Q310 P340C306-R308 PolarHBondContact O-N 3.4Å; C306-R308 VanDerWaalsContact O-N 3.11Å; R308-Q310 VanDerWaalsContact C-N 3.3Å; R308-Q310 PolarHBondContact O-N 3.08Å; R308-P340 HydrophobicContact CB-CG 4.3Å
309C95.9Very high95.1Very high8 Ų843.4 Ų43.45%0.05423%0.23CC..Hα-helixtrans-73.2-24.3-174.6-660000113.2C306 P307 P340 W341 E342C306-C309 HydrophobicContact CB-CB 3.66Å; C306-C309 WeakPolarHBondContact CB-SG 3.44Å; C306-C309 WeakPolarHBondContact O-CB 3.31Å; C306-C309 PolarHBondContact O-N 3.32Å; C306-C309 WeakPolarHBondContact SG-CB 3.48Å; C306-C309 PolarHBondContact SG-N 3.14Å; C306-C309 CovalentContact SG-SG 2.03Å; C306-C309 PolarHBondContact SG-SG 2.96Å; P307-C309 VanDerWaalsContact C-N 3.26Å; P307-C309 PolarHBondContact O-N 3.07Å; C309-P340 VanDerWaalsContact CA-O 3.22Å; C309-P340 WeakPolarHBondContact CA-O 3.4Å; C309-W341 CarbonylContact O-C 3.56Å; C309-W341 WeakPolarHBondContact O-CA 3.16Å; C309-E342 HydrophobicContact CB-CB 4.49Å; C309-E342 HydrophobicContact CB-CG 4.21Å; C309-E342 PolarHBondContact O-N 3.42Å
310Q95.4Very high94.8Very high4 Ų447.5 Ų47.52%0.01925%0.253CS..Hα-helixtrans-113.5-18.5178.3-65.8-57.9-33.300113.1F301 R308 P312 T313 Y315 E342F301-Q310 HydrophobicContact CB-CG 4.33Å; F301-Q310 WeakPolarHBondContact O-CG 3.43Å; R308-Q310 VanDerWaalsContact C-N 3.3Å; R308-Q310 PolarHBondContact O-N 3.08Å; Q310-P312 VanDerWaalsContact C-N 3.31Å; Q310-P312 VanDerWaalsContact O-N 3.09Å; Q310-T313 VanDerWaalsContact O-CB 3.29Å; Q310-T313 WeakPolarHBondContact O-CB 3.49Å; Q310-T313 PolarHBondContact O-N 3.22Å; Q310-T313 PolarHBondContact O-OG1 3.35Å; Q310-Y315 HydrophobicContact CB-CE2 3.78Å; Q310-Y315 WeakPolarHBondContact O-CE2 3.42Å; Q310-Y315 PolarHBondContact OE1-OH 3.35Å; Q310-E342 PolarHBondContact NE2-O 2.65Å
311A95.2Very high94.3Very high61 Ų6148.5 Ų48.550%0.50426%0.26SS..G310 helixtrans-46.4-40.5-177.100000115.8P307 T313 N314P307-A311 WeakPolarHBondContact O-CB 3.23Å; P307-A311 PolarHBondContact O-N 2.63Å; P307-A311 VanDerWaalsContact O-N 3.11Å; A311-T313 PolarHBondContact O-N 2.92Å; A311-N314 PolarHBondContact O-N 3.4Å
312P96.1Very high93Very high25 Ų2556.8 Ų56.816%0.16230%0.299CS..G310 helixtrans-57.8-24.1-179.7-28.638.9000114.6Q310 N314 L335 V338 W341Q310-P312 VanDerWaalsContact C-N 3.31Å; Q310-P312 VanDerWaalsContact O-N 3.09Å; P312-N314 PolarHBondContact O-N 3.2Å; P312-N314 VanDerWaalsContact O-N 3.15Å; P312-L335 WeakPolarHBondContact O-CD1 3.47Å; P312-L335 WeakPolarHBondContact O-CD2 2.95Å; P312-V338 HydrophobicContact CB-CB 4.49Å; P312-V338 HydrophobicContact CG-CB 4.05Å; P312-W341 HydrophobicContact CB-CB 4.38Å; P312-W341 HydrophobicContact CB-CD2 4.08Å; P312-W341 HydrophobicContact CB-CG 3.87Å; P312-W341 HydrophobicContact CG-CB 3.98Å; P312-W341 HydrophobicContact CG-CG 3.9Å
313T95.9Very high91.6Very high1 Ų157.3 Ų57.31%0.00631%0.305CS..G310 helixtrans-60.8-21.5176.2-57.20000113P272 Q310 A311 Y315 Y333 W341P272-T313 HydrophobicContact CB-CG2 3.76Å; P272-T313 HydrophobicContact CG-CG2 3.7Å; Q310-T313 VanDerWaalsContact O-CB 3.29Å; Q310-T313 WeakPolarHBondContact O-CB 3.49Å; Q310-T313 PolarHBondContact O-N 3.22Å; Q310-T313 PolarHBondContact O-OG1 3.35Å; A311-T313 PolarHBondContact O-N 2.92Å; T313-Y315 HydrophobicContact CG2-CE2 4.1Å; T313-Y333 PolarHBondContact O-OH 3.45Å; T313-W341 PolarHBondContact OG1-NE1 3.1Å; T313-W341 VanDerWaalsContact OG1-NE1 3.1Å
314N95.8Very high89.8Confident65 Ų6565.1 Ų65.135%0.34833%0.331SS..  trans55.566.8-176.7-164.6-9.8000113.3A311 P312 S316 Q317 W318 Y333A311-N314 PolarHBondContact O-N 3.4Å; P312-N314 PolarHBondContact O-N 3.2Å; P312-N314 VanDerWaalsContact O-N 3.15Å; N314-S316 PolarHBondContact O-N 2.87Å; N314-Q317 HydrophobicContact CB-CB 4.16Å; N314-Q317 WeakPolarHBondContact ND2-CB 2.95Å; N314-Q317 PolarHBondContact ND2-OE1 3.35Å; N314-Q317 PolarHBondContact O-N 3.27Å; N314-Q317 VanDerWaalsContact O-N 3.14Å; N314-Q317 WeakPolarHBondContact OD1-CB 3Å; N314-Q317 PolarHBondContact OD1-N 3.01Å; N314-Q317 VanDerWaalsContact OD1-N 3.15Å; N314-W318 PolarHBondContact O-N 3.48Å; N314-Y333 PolarHBondContact O-OH 2.84Å
315Y96.2Very high88.1Confident16 Ų1666.5 Ų66.56%0.06334%0.338CS..Hα-helixtrans-56.3-35.4-178.4-72.2-92000113.5P272 A273 F274 P300 Q310 T313 W318 V319P272-Y315 HydrophobicContact CB-CD1 4.47Å; P272-Y315 HydrophobicContact CB-CE1 3.93Å; A273-Y315 PolarHBondContact N-OH 3.09Å; A273-Y315 VanDerWaalsContact O-CE1 3.31Å; A273-Y315 WeakPolarHBondContact O-CE1 3.44Å; A273-Y315 PolarHBondContact O-OH 3.44Å; F274-Y315 HydrophobicContact CD1-CD1 4.27Å; F274-Y315 HydrophobicContact CD1-CE1 4.18Å; F274-Y315 AromaticContact CE1-CD1 3.47Å; F274-Y315 HydrophobicContact CE1-CD1 3.47Å; F274-Y315 VanDerWaalsContact CE1-CD1 3.47Å; F274-Y315 AromaticContact CE1-CE1 3.75Å; F274-Y315 HydrophobicContact CE1-CE1 3.75Å; F274-Y315 HydrophobicContact CE2-CD1 4.34Å; F274-Y315 HydrophobicContact CE2-CE1 4.09Å; F274-Y315 AromaticContact CZ-CD1 3.51Å; F274-Y315 HydrophobicContact CZ-CD1 3.51Å; F274-Y315 AromaticContact CZ-CE1 3.7Å; F274-Y315 HydrophobicContact CZ-CE1 3.7Å; P300-Y315 HydrophobicContact CB-CD1 4.12Å; P300-Y315 HydrophobicContact CB-CD2 4Å; P300-Y315 HydrophobicContact CB-CE1 3.97Å; P300-Y315 HydrophobicContact CB-CE2 3.86Å; P300-Y315 HydrophobicContact CB-CG 4.15Å; P300-Y315 HydrophobicContact CG-CD1 4.01Å; P300-Y315 HydrophobicContact CG-CD2 4.06Å; P300-Y315 HydrophobicContact CG-CE1 4.37Å; P300-Y315 HydrophobicContact CG-CE2 4.42Å; P300-Y315 HydrophobicContact CG-CG 3.86Å; Q310-Y315 HydrophobicContact CB-CE2 3.78Å; Q310-Y315 WeakPolarHBondContact O-CE2 3.42Å; Q310-Y315 PolarHBondContact OE1-OH 3.35Å; T313-Y315 HydrophobicContact CG2-CE2 4.1Å; Y315-W318 PolarHBondContact O-N 3.22Å; Y315-V319 WeakPolarHBondContact O-CB 3.43Å; Y315-V319 VanDerWaalsContact O-CG2 3.29Å; Y315-V319 WeakPolarHBondContact O-CG2 3.41Å; Y315-V319 PolarHBondContact O-N 3.22Å
316S94.4Very high86.5Confident73 Ų7372.3 Ų72.351%0.5138%0.375SS..Hα-helixtrans-64.1-47.2177.1-177.70000111.5N314 W318 N320N314-S316 PolarHBondContact O-N 2.87Å; S316-W318 VanDerWaalsContact C-N 3.32Å; S316-W318 PolarHBondContact O-N 3.34Å; S316-N320 VanDerWaalsContact O-CB 3.32Å; S316-N320 WeakPolarHBondContact O-CB 3.39Å; S316-N320 VanDerWaalsContact O-CG 3.32Å; S316-N320 PolarHBondContact O-N 2.92Å; S316-N320 VanDerWaalsContact O-N 3.11Å; S316-N320 PolarHBondContact O-ND2 3.48Å; S316-N320 PolarHBondContact OG-ND2 2.91Å
317Q95.4Very high85Confident86 Ų8673.5 Ų73.540%0.40239%0.391SS..Hα-helixtrans-61.6-42.4174-177.9179.60.600111.3N314 S321 Y333N314-Q317 HydrophobicContact CB-CB 4.16Å; N314-Q317 WeakPolarHBondContact ND2-CB 2.95Å; N314-Q317 PolarHBondContact ND2-OE1 3.35Å; N314-Q317 PolarHBondContact O-N 3.27Å; N314-Q317 VanDerWaalsContact O-N 3.14Å; N314-Q317 WeakPolarHBondContact OD1-CB 3Å; N314-Q317 PolarHBondContact OD1-N 3.01Å; N314-Q317 VanDerWaalsContact OD1-N 3.15Å; Q317-S321 VanDerWaalsContact O-CB 3.31Å; Q317-S321 WeakPolarHBondContact O-CB 3.45Å; Q317-S321 PolarHBondContact O-N 3.28Å; Q317-S321 PolarHBondContact O-OG 2.88Å; Q317-Y333 HydrophobicContact CB-CE1 4.37Å; Q317-Y333 HydrophobicContact CG-CD1 4.05Å; Q317-Y333 HydrophobicContact CG-CE1 3.77Å
318W95.9Very high84.6Confident0 Ų072.1 Ų72.10%038%0.382CS..Hα-helixtrans-64-50.6-179.6-168.981.7000112.7P272 F274 K286 L289 N314 Y315 S316 N320 S321 Y333 L382 A385 F386P272-W318 HydrophobicContact CB-CD2 4.32Å; P272-W318 HydrophobicContact CG-CD2 3.83Å; P272-W318 HydrophobicContact CG-CG 3.77Å; P272-W318 HydrophobicContact CG-CZ2 4.34Å; F274-W318 HydrophobicContact CE2-CE3 4.26Å; F274-W318 HydrophobicContact CE2-CH2 4.21Å; F274-W318 AromaticContact CE2-CZ3 3.8Å; F274-W318 HydrophobicContact CE2-CZ3 3.8Å; F274-W318 AromaticContact CZ-CE3 3.86Å; F274-W318 HydrophobicContact CZ-CE3 3.86Å; F274-W318 AromaticContact CZ-CZ3 3.67Å; F274-W318 HydrophobicContact CZ-CZ3 3.67Å; K286-W318 HydrophobicContact CB-CH2 4.18Å; K286-W318 HydrophobicContact CD-CH2 3.81Å; K286-W318 HydrophobicContact CD-CZ2 3.85Å; K286-W318 HydrophobicContact CD-CZ3 4.19Å; K286-W318 WeakPolarHBondContact CE-O 3.29Å; K286-W318 HydrophobicContact CG-CH2 3.67Å; K286-W318 HydrophobicContact CG-CZ2 4.2Å; K286-W318 HydrophobicContact CG-CZ3 4Å; K286-W318 PolarHBondContact NZ-O 3.05Å; L289-W318 HydrophobicContact CD2-CH2 3.64Å; L289-W318 HydrophobicContact CD2-CZ3 3.53Å; N314-W318 PolarHBondContact O-N 3.48Å; Y315-W318 PolarHBondContact O-N 3.22Å; S316-W318 VanDerWaalsContact C-N 3.32Å; S316-W318 PolarHBondContact O-N 3.34Å; W318-N320 VanDerWaalsContact C-N 3.3Å; W318-N320 PolarHBondContact O-N 3.49Å; W318-S321 PolarHBondContact O-N 3.42Å; W318-S321 PolarHBondContact O-OG 3.03Å; W318-Y333 WeakPolarHBondContact CB-OH 3.4Å; W318-L382 PolarHBondContact NE1-O 3.18Å; W318-A385 WeakPolarHBondContact CZ2-O 3.29Å; W318-F386 HydrophobicContact CH2-CB 4.01Å; W318-F386 AromaticContact CH2-CD1 3.93Å; W318-F386 HydrophobicContact CH2-CD1 3.93Å; W318-F386 HydrophobicContact CH2-CG 4.29Å; W318-F386 HydrophobicContact CZ2-CB 4.25Å; W318-F386 HydrophobicContact CZ2-CD1 4.42Å
319V94.3Very high84.5Confident19 Ų1964.1 Ų64.112%0.11535%0.352CS..Hα-helixtrans-59.5-41.7179.6164.80000111.1V290 Y293 Y315V290-V319 HydrophobicContact CG1-CG1 3.99Å; V290-V319 HydrophobicContact CG2-CB 4.49Å; V290-V319 HydrophobicContact CG2-CG1 4.01Å; V290-V319 HydrophobicContact CG2-CG2 4.44Å; Y293-V319 HydrophobicContact CD1-CG1 4.37Å; Y293-V319 HydrophobicContact CD1-CG2 4.32Å; Y293-V319 HydrophobicContact CE1-CG2 4.37Å; Y293-V319 HydrophobicContact CG-CG2 4.46Å; Y315-V319 WeakPolarHBondContact O-CB 3.43Å; Y315-V319 VanDerWaalsContact O-CG2 3.29Å; Y315-V319 WeakPolarHBondContact O-CG2 3.41Å; Y315-V319 PolarHBondContact O-N 3.22Å
320N90.8Very high84.4Confident106 Ų10666.4 Ų66.457%0.56736%0.364SS*.Hα-helixtrans-82.8-14.6-177.3-66.1-48.3000113.9S316 W318 H322S316-N320 VanDerWaalsContact O-CB 3.32Å; S316-N320 WeakPolarHBondContact O-CB 3.39Å; S316-N320 VanDerWaalsContact O-CG 3.32Å; S316-N320 PolarHBondContact O-N 2.92Å; S316-N320 VanDerWaalsContact O-N 3.11Å; S316-N320 PolarHBondContact O-ND2 3.48Å; S316-N320 PolarHBondContact OG-ND2 2.91Å; W318-N320 VanDerWaalsContact C-N 3.3Å; W318-N320 PolarHBondContact O-N 3.49Å; N320-H322 PolarHBondContact O-N 3.27Å
321S86.1Confident84.4Confident34 Ų3467.7 Ų67.724%0.23837%0.371CS..  trans-68.2119.5178.662.20000111.5K286 Q317 W318K286-S321 PolarHBondContact NZ-O 2.91Å; K286-S321 PolarHBondContact NZ-OG 3.42Å; Q317-S321 VanDerWaalsContact O-CB 3.31Å; Q317-S321 WeakPolarHBondContact O-CB 3.45Å; Q317-S321 PolarHBondContact O-N 3.28Å; Q317-S321 PolarHBondContact O-OG 2.88Å; W318-S321 PolarHBondContact O-N 3.42Å; W318-S321 PolarHBondContact O-OG 3.03Å
322H69.9Low84.3Confident179 Ų17966.7 Ų66.783%0.82936%0.363SS*.  trans-69.4134.6173.6-62.9-35.5000110.5N320 R324N320-H322 PolarHBondContact O-N 3.27Å; H322-R324 PolarHBondContact O-N 3.41Å
323V63.3Low84.3Confident46 Ų4666.7 Ų66.728%0.27936%0.36SS..  trans-75.5115.1169.4-161.10000106.2K286 E325K286-V323 HydrophobicContact CD-CG2 4.43Å; V323-E325 WeakPolarHBondContact CG1-O 3.47Å; V323-E325 PolarHBondContact O-N 3.23Å; V323-E325 VanDerWaalsContact O-N 3.09Å
324R57.2Low84.3Confident248 Ų24871.3 Ų71.394%0.93639%0.389SS*.SBendtrans-57.8-24.6-172.7-69.3-178.2175.8177.9-1.1113.2H322H322-R324 PolarHBondContact O-N 3.41Å
325E59Low84.2Confident115 Ų11569.8 Ų69.854%0.53738%0.38SS..SBendtrans-134.7134.6171.1-79.2169.5-174.400106.9V323 G327 T328V323-E325 WeakPolarHBondContact CG1-O 3.47Å; V323-E325 PolarHBondContact O-N 3.23Å; V323-E325 VanDerWaalsContact O-N 3.09Å; E325-G327 PolarHBondContact O-N 3.1Å; E325-T328 WeakPolarHBondContact CB-OG1 3.45Å; E325-T328 PolarHBondContact OE2-OG1 3.03Å
326T57.9Low84.1Confident149 Ų14976 Ų7691%0.91442%0.415SS*.THydrogen-bonded Turntrans-61.9108.5179.445.80000110.4
327G62.7Low84.2Confident54 Ų5474 Ų7456%0.55740%0.396SS*.THydrogen-bonded Turntrans97.12.3168.300000116.8E325E325-G327 PolarHBondContact O-N 3.1Å
328T83.4Confident84.2Confident53 Ų5373.6 Ų73.633%0.32540%0.399SS..  trans-92.5124.1171.237.20000111.5E325E325-T328 WeakPolarHBondContact CB-OG1 3.45Å; E325-T328 PolarHBondContact OE2-OG1 3.03Å
329L93.2Very high84.2Confident4 Ų476.4 Ų76.42%0.02141%0.414CS..  trans-69135.9172.8-174.169.5000110.4L250 Q253 F254 M257 R260 L382 S384 A385L250-L329 HydrophobicContact CD1-CD2 4.39Å; Q253-L329 HydrophobicContact CB-CB 3.82Å; Q253-L329 HydrophobicContact CB-CD2 3.99Å; F254-L329 HydrophobicContact CB-CD2 4.18Å; F254-L329 HydrophobicContact CD2-CD2 4.5Å; M257-L329 HydrophobicContact SD-CD2 4.35Å; M257-L329 HydrophobicContact SD-CG 4.07Å; R260-L329 PolarHBondContact NH2-O 3.43Å; L329-L382 HydrophobicContact CD1-CB 3.95Å; L329-L382 HydrophobicContact CD1-CD1 4.42Å; L329-L382 HydrophobicContact CD1-CD2 4.27Å; L329-L382 HydrophobicContact CD1-CG 4.44Å; L329-L382 HydrophobicContact CD2-CD1 4.33Å; L329-L382 HydrophobicContact CD2-CD2 4.35Å; L329-L382 HydrophobicContact CG-CD2 4.25Å; L329-S384 VanDerWaalsContact CD1-OG 3.3Å; L329-S384 WeakPolarHBondContact CD1-OG 3.45Å; L329-A385 HydrophobicContact CD1-CB 3.64Å
330D93.8Very high84.2Confident57 Ų5776.4 Ų76.431%0.30542%0.415SS..  trans-150.4176.5175.6-152.7-14.9000109.7R260 L382 S383R260-D330 IonicContact NH2-OD2 3.99Å; D330-L382 CarbonylContact O-C 3.59Å; D330-L382 WeakPolarHBondContact O-CA 3.37Å; D330-S383 PolarHBondContact N-OG 3.45Å; D330-S383 WeakPolarHBondContact O-CB 3.25Å; D330-S383 PolarHBondContact O-N 2.9Å; D330-S383 PolarHBondContact O-OG 2.78Å
331V94.9Very high84.5Confident30 Ų3071.3 Ų71.318%0.18239%0.388CS..EExtended strand (participates in β ladder)trans-84.3119.4168.2168.70000109.8M257 F269 L382M257-V331 HydrophobicContact SD-CG2 4.46Å; F269-V331 HydrophobicContact CD1-CG2 3.95Å; F269-V331 HydrophobicContact CE1-CG2 3.91Å; V331-L382 HydrophobicContact CG2-CD2 4.36Å
332A94.4Very high84.9Confident40 Ų4070.5 Ų70.533%0.33138%0.38SS..EExtended strand (participates in β ladder)trans-75.1-45.117800000111.8V381A332-V381 PolarHBondContact N-O 3.07Å
333Y95.9Very high86.2Confident25 Ų2562.2 Ų62.210%0.09834%0.342CS..EExtended strand (participates in β ladder)trans-166.2161.1179.348.6-88.8000110.7T313 N314 Q317 W318 L335 V381T313-Y333 PolarHBondContact O-OH 3.45Å; N314-Y333 PolarHBondContact O-OH 2.84Å; Q317-Y333 HydrophobicContact CB-CE1 4.37Å; Q317-Y333 HydrophobicContact CG-CD1 4.05Å; Q317-Y333 HydrophobicContact CG-CE1 3.77Å; W318-Y333 WeakPolarHBondContact CB-OH 3.4Å; Y333-L335 HydrophobicContact CD2-CD2 3.84Å; Y333-L335 HydrophobicContact CD2-CG 3.9Å; Y333-L335 HydrophobicContact CE2-CD1 4.03Å; Y333-L335 HydrophobicContact CE2-CD2 3.79Å; Y333-L335 HydrophobicContact CE2-CG 3.88Å; Y333-V381 HydrophobicContact CD2-CB 4.08Å; Y333-V381 HydrophobicContact CD2-CG2 3.91Å; Y333-V381 HydrophobicContact CE1-CB 4.39Å; Y333-V381 HydrophobicContact CE1-CG1 4.36Å; Y333-V381 HydrophobicContact CE2-CB 3.77Å; Y333-V381 HydrophobicContact CE2-CG1 4.19Å; Y333-V381 HydrophobicContact CE2-CG2 3.47Å; Y333-V381 VanDerWaalsContact CE2-CG2 3.47Å; Y333-V381 PolarHBondContact O-N 3.1Å
334T96.6Very high87.9Confident99 Ų9960.1 Ų60.161%0.60733%0.329SS*.EExtended strand (participates in β ladder)trans-99.5148.9171.455.80000110.5F379T334-F379 CarbonylContact C-O 3.24Å; T334-F379 VanDerWaalsContact CA-O 3.25Å; T334-F379 WeakPolarHBondContact CA-O 3.25Å
335L93.8Very high89.8Confident33 Ų3348.8 Ų48.817%0.17329%0.286CS..EExtended strand (participates in β ladder)trans-121.3150.3179.3-67.9169000111.8P312 Y333 W341 F379 V381P312-L335 WeakPolarHBondContact O-CD1 3.47Å; P312-L335 WeakPolarHBondContact O-CD2 2.95Å; Y333-L335 HydrophobicContact CD2-CD2 3.84Å; Y333-L335 HydrophobicContact CD2-CG 3.9Å; Y333-L335 HydrophobicContact CE2-CD1 4.03Å; Y333-L335 HydrophobicContact CE2-CD2 3.79Å; Y333-L335 HydrophobicContact CE2-CG 3.88Å; L335-W341 HydrophobicContact CD1-CH2 4.15Å; L335-W341 HydrophobicContact CD1-CZ2 4.04Å; L335-F379 PolarHBondContact N-O 3.31Å; L335-V381 HydrophobicContact CD1-CG2 3.34Å; L335-V381 HydrophobicContact CG-CG2 3.91Å
336N93.7Very high91.7Very high147 Ų14743.3 Ų43.379%0.78626%0.261SS*.  trans-84.8139.2161.7-67.8-38.8000109
337W96Very high93.6Very high29 Ų2936.3 Ų36.311%0.1122%0.218CC..  trans-66.5144.3176.3175.791.3000111.4D339 W341 A369 C370 H373 F379 C431W337-D339 HydrophobicContact CH2-CB 3.71Å; W337-D339 HydrophobicContact CZ2-CB 4.04Å; W337-D339 HydrophobicContact CZ3-CB 4.47Å; W337-W341 AromaticContact CD1-CE3 3.86Å; W337-A369 PolarHBondContact NE1-O 3.06Å; W337-C370 HydrophobicContact CZ2-CB 3.82Å; W337-H373 HydrophobicContact CB-CB 3.74Å; W337-H373 HydrophobicContact CD2-CB 3.86Å; W337-H373 AromaticContact CD2-CD2 3.94Å; W337-H373 AromaticContact CD2-CG 3.85Å; W337-H373 HydrophobicContact CE3-CB 4.32Å; W337-H373 AromaticContact CE3-CD2 3.48Å; W337-H373 VanDerWaalsContact CE3-CD2 3.48Å; W337-H373 AromaticContact CE3-CG 3.85Å; W337-H373 AromaticContact CE3-NE2 3.96Å; W337-H373 HydrophobicContact CG-CB 3.56Å; W337-H373 AromaticContact CG-CG 3.75Å; W337-F379 HydrophobicContact CB-CD2 4.37Å; W337-F379 HydrophobicContact CB-CE2 3.83Å; W337-F379 HydrophobicContact CB-CZ 4.48Å; W337-F379 HydrophobicContact CG-CE2 4.43Å; W337-C431 HydrophobicContact CH2-CB 3.58Å; W337-C431 HydrophobicContact CZ2-CB 4.26Å; W337-C431 HydrophobicContact CZ3-CB 4.21Å
338V96.3Very high95.3Very high79 Ų7934.4 Ų34.448%0.47920%0.196SC..  trans-142.6138177.5-179.90000109.7P312 W341P312-V338 HydrophobicContact CB-CB 4.49Å; P312-V338 HydrophobicContact CG-CB 4.05Å; V338-W341 WeakPolarHBondContact O-CB 3.41Å; V338-W341 PolarHBondContact O-N 2.81Å
339D94.6Very high95.8Very high58 Ų5836.8 Ų36.831%0.3120%0.199SC..THydrogen-bonded Turntrans-76.9136.4173.5-17571.7000111.8W337W337-D339 HydrophobicContact CH2-CB 3.71Å; W337-D339 HydrophobicContact CZ2-CB 4.04Å; W337-D339 HydrophobicContact CZ3-CB 4.47Å
340P95.4Very high95.9Very high19 Ų1941 Ų4112%0.12323%0.225CC..THydrogen-bonded Turncis-106.177.62.637.7-30.8000113.6R308 C309 I366R308-P340 HydrophobicContact CB-CG 4.3Å; C309-P340 VanDerWaalsContact CA-O 3.22Å; C309-P340 WeakPolarHBondContact CA-O 3.4Å; P340-I366 HydrophobicContact CB-CD1 3.79Å; P340-I366 HydrophobicContact CB-CG1 4.29Å; P340-I366 HydrophobicContact CB-CG2 4.14Å
341W96.6Very high96.1Very high0 Ų038.7 Ų38.70%021%0.213CC..  trans-76.1138-175.2-167.835.2000115.1V270 C309 P312 T313 L335 W337 V338 P343 A369 F379V270-W341 HydrophobicContact CG1-CH2 4.44Å; V270-W341 HydrophobicContact CG1-CZ2 3.96Å; V270-W341 HydrophobicContact CG2-CH2 3.81Å; V270-W341 HydrophobicContact CG2-CZ2 4.17Å; C309-W341 CarbonylContact O-C 3.56Å; C309-W341 WeakPolarHBondContact O-CA 3.16Å; P312-W341 HydrophobicContact CB-CB 4.38Å; P312-W341 HydrophobicContact CB-CD2 4.08Å; P312-W341 HydrophobicContact CB-CG 3.87Å; P312-W341 HydrophobicContact CG-CB 3.98Å; P312-W341 HydrophobicContact CG-CG 3.9Å; T313-W341 PolarHBondContact OG1-NE1 3.1Å; T313-W341 VanDerWaalsContact OG1-NE1 3.1Å; L335-W341 HydrophobicContact CD1-CH2 4.15Å; L335-W341 HydrophobicContact CD1-CZ2 4.04Å; W337-W341 AromaticContact CD1-CE3 3.86Å; V338-W341 WeakPolarHBondContact O-CB 3.41Å; V338-W341 PolarHBondContact O-N 2.81Å; W341-P343 HydrophobicContact CD2-CB 4.08Å; W341-P343 HydrophobicContact CD2-CG 3.79Å; W341-P343 HydrophobicContact CE3-CB 4.47Å; W341-P343 HydrophobicContact CE3-CG 3.88Å; W341-P343 HydrophobicContact CG-CG 4.4Å; W341-P343 HydrophobicContact CH2-CB 4.15Å; W341-P343 HydrophobicContact CH2-CG 4.25Å; W341-P343 HydrophobicContact CZ2-CB 3.7Å; W341-P343 HydrophobicContact CZ2-CG 4.16Å; W341-P343 HydrophobicContact CZ3-CG 4.11Å; W341-P343 WeakPolarHBondContact O-CD 3.44Å; W341-A369 WeakPolarHBondContact O-CB 3.33Å; W341-F379 HydrophobicContact CE3-CD1 4.4Å; W341-F379 HydrophobicContact CE3-CE1 4.39Å; W341-F379 HydrophobicContact CH2-CB 3.78Å; W341-F379 AromaticContact CH2-CD1 3.69Å; W341-F379 HydrophobicContact CH2-CD1 3.69Å; W341-F379 HydrophobicContact CH2-CE1 4.43Å; W341-F379 AromaticContact CH2-CG 3.81Å; W341-F379 HydrophobicContact CH2-CG 3.81Å; W341-F379 HydrophobicContact CZ3-CB 3.95Å; W341-F379 AromaticContact CZ3-CD1 3.32Å; W341-F379 HydrophobicContact CZ3-CD1 3.32Å; W341-F379 AromaticContact CZ3-CD2 3.96Å; W341-F379 HydrophobicContact CZ3-CD2 3.96Å; W341-F379 AromaticContact CZ3-CE1 3.69Å; W341-F379 HydrophobicContact CZ3-CE1 3.69Å; W341-F379 HydrophobicContact CZ3-CE2 4.3Å; W341-F379 AromaticContact CZ3-CG 3.47Å; W341-F379 HydrophobicContact CZ3-CG 3.47Å; W341-F379 VanDerWaalsContact CZ3-CG 3.47Å; W341-F379 HydrophobicContact CZ3-CZ 4.17Å
342E95.1Very high96.2Very high17 Ų1738.1 Ų38.18%0.07921%0.21CC..  trans-123.265.8178.4-66.2-171.6160.200112.9C309 Q310 R365 I366C309-E342 HydrophobicContact CB-CB 4.49Å; C309-E342 HydrophobicContact CB-CG 4.21Å; C309-E342 PolarHBondContact O-N 3.42Å; Q310-E342 PolarHBondContact NE2-O 2.65Å; E342-R365 HydrophobicContact CB-CB 4.22Å; E342-R365 HydrophobicContact CG-CB 4.18Å; E342-I366 HydrophobicContact CG-CB 4.39Å; E342-I366 HydrophobicContact CG-CD1 4.1Å; E342-I366 HydrophobicContact CG-CG1 3.26Å; E342-I366 WeakPolarHBondContact OE1-CD1 3.34Å; E342-I366 WeakPolarHBondContact OE1-CG1 3.41Å
343P96.3Very high96.4Very high4 Ų441.1 Ų41.13%0.02622%0.22CC..  trans-71.7149.4-178.129.6-32.8000112.9V270 W341 Y345 A369V270-P343 HydrophobicContact CG1-CB 4.01Å; V270-P343 HydrophobicContact CG2-CB 4.28Å; W341-P343 HydrophobicContact CD2-CB 4.08Å; W341-P343 HydrophobicContact CD2-CG 3.79Å; W341-P343 HydrophobicContact CE3-CB 4.47Å; W341-P343 HydrophobicContact CE3-CG 3.88Å; W341-P343 HydrophobicContact CG-CG 4.4Å; W341-P343 HydrophobicContact CH2-CB 4.15Å; W341-P343 HydrophobicContact CH2-CG 4.25Å; W341-P343 HydrophobicContact CZ2-CB 3.7Å; W341-P343 HydrophobicContact CZ2-CG 4.16Å; W341-P343 HydrophobicContact CZ3-CG 4.11Å; W341-P343 WeakPolarHBondContact O-CD 3.44Å; P343-Y345 HydrophobicContact CG-CD1 4.44Å; P343-A369 HydrophobicContact CG-CB 4.02Å
344F98.3Very high96.5Very high3 Ų340.2 Ų40.21%0.01322%0.217CC..EExtended strand (participates in β ladder)trans-91.2138.6155.5-68.8-96.8000108.6I240 M244 V270 L271 A273 F301 R365 V387I240-F344 HydrophobicContact CB-CD1 4.49Å; I240-F344 HydrophobicContact CG2-CD1 3.95Å; I240-F344 HydrophobicContact CG2-CE1 4.46Å; M244-F344 HydrophobicContact CE-CD2 4.42Å; M244-F344 HydrophobicContact CE-CE1 4.03Å; M244-F344 HydrophobicContact CE-CE2 3.85Å; M244-F344 HydrophobicContact CE-CZ 3.62Å; M244-F344 HydrophobicContact CG-CE1 4.26Å; M244-F344 HydrophobicContact CG-CZ 4.36Å; M244-F344 HydrophobicContact SD-CZ 4.22Å; V270-F344 WeakPolarHBondContact CA-O 3.17Å; L271-F344 PolarHBondContact N-O 2.83Å; A273-F344 HydrophobicContact CB-CD2 3.52Å; A273-F344 HydrophobicContact CB-CE2 3.78Å; F301-F344 HydrophobicContact CD1-CE2 4.17Å; F301-F344 HydrophobicContact CE1-CE2 4.24Å; F301-F344 HydrophobicContact CE1-CZ 4.44Å; F344-R365 VanDerWaalsContact CE1-CZ 3.42Å; F344-V387 HydrophobicContact CB-CG2 3.97Å; F344-V387 HydrophobicContact CD1-CG2 4.33Å; F344-V387 HydrophobicContact CD2-CG2 4.04Å; F344-V387 HydrophobicContact CG-CG2 3.85Å
345Y98.6Very high96.6Very high10 Ų1037.4 Ų37.44%0.03920%0.198CC..EExtended strand (participates in β ladder)trans-150.2153.1-176.262.8-93.2000112.6L238 V268 F269 P343 V351 Q368 L372L238-Y345 WeakPolarHBondContact CD1-O 3.45Å; V268-Y345 HydrophobicContact CB-CD2 3.93Å; V268-Y345 HydrophobicContact CB-CG 4.23Å; V268-Y345 HydrophobicContact CG1-CD2 3.93Å; V268-Y345 HydrophobicContact CG1-CE2 4.2Å; F269-Y345 CarbonylContact O-C 3.54Å; F269-Y345 WeakPolarHBondContact O-CA 3.33Å; F269-Y345 WeakPolarHBondContact O-CB 3.46Å; P343-Y345 HydrophobicContact CG-CD1 4.44Å; Y345-V351 HydrophobicContact CE2-CG1 4.24Å; Y345-V351 HydrophobicContact CE2-CG2 4.41Å; Y345-Q368 HydrophobicContact CE1-CG 4.34Å; Y345-Q368 VanDerWaalsContact OH-CG 3.28Å; Y345-Q368 WeakPolarHBondContact OH-CG 3.34Å; Y345-Q368 PolarHBondContact OH-NE2 3.05Å; Y345-L372 HydrophobicContact CD1-CD1 4.31Å; Y345-L372 HydrophobicContact CE1-CD1 3.67Å; Y345-L372 HydrophobicContact CE2-CD1 4.18Å
346I98.8Very high96.7Very high0 Ų038.1 Ų38.10%020%0.2CC..EExtended strand (participates in β ladder)trans-89.3122.4159-61.8162.2000106.8L109 Y236 L238 L250 F254 F269 L271 L382L109-I346 HydrophobicContact CD1-CG1 4.35Å; L109-I346 HydrophobicContact CD1-CG2 3.67Å; L109-I346 HydrophobicContact CD2-CD1 4.03Å; Y236-I346 HydrophobicContact CD1-CG2 4.14Å; Y236-I346 HydrophobicContact CG-CG2 4.34Å; L238-I346 HydrophobicContact CB-CG1 4Å; L238-I346 HydrophobicContact CD1-CG1 4.08Å; L238-I346 HydrophobicContact CG-CG1 4.43Å; L250-I346 HydrophobicContact CD1-CD1 4.26Å; L250-I346 HydrophobicContact CG-CD1 4.49Å; F254-I346 HydrophobicContact CB-CD1 4.38Å; F254-I346 HydrophobicContact CD1-CG2 4.45Å; F254-I346 HydrophobicContact CD2-CD1 3.58Å; F254-I346 HydrophobicContact CD2-CG2 4.48Å; F254-I346 HydrophobicContact CE1-CG2 3.85Å; F254-I346 HydrophobicContact CE2-CB 4.22Å; F254-I346 HydrophobicContact CE2-CD1 3.95Å; F254-I346 HydrophobicContact CE2-CG2 3.88Å; F254-I346 HydrophobicContact CG-CD1 3.92Å; F254-I346 HydrophobicContact CZ-CB 4.34Å; F254-I346 HydrophobicContact CZ-CG2 3.53Å; F269-I346 HydrophobicContact CB-CB 4.26Å; F269-I346 PolarHBondContact N-O 2.91Å; F269-I346 PolarHBondContact O-N 2.93Å; L271-I346 HydrophobicContact CD1-CD1 4.1Å; L271-I346 HydrophobicContact CD1-CG1 3.88Å; I346-L382 HydrophobicContact CD1-CD1 4.25Å
347G98.1Very high96.9Very high2 Ų236.1 Ų36.12%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-124.6152.5-179.600000111.9Y236 I237Y236-G347 WeakPolarHBondContact CA-O 3.39Å; I237-G347 PolarHBondContact N-O 2.82Å; I237-G347 PolarHBondContact O-N 3.03Å
348P97.2Very high97Very high14 Ų1434.8 Ų34.89%0.09118%0.184CC..EExtended strand (participates in β ladder)trans-63.4156.7169.929.3-35.4000110S235 Y236 E267 T350 V351 F377S235-P348 CarbonylContact O-C 3.56Å; S235-P348 VanDerWaalsContact O-CA 3.32Å; S235-P348 WeakPolarHBondContact O-CA 3.25Å; Y236-P348 HydrophobicContact CD1-CB 4.4Å; Y236-P348 HydrophobicContact CE1-CB 4.11Å; E267-P348 VanDerWaalsContact O-CD 3.25Å; E267-P348 WeakPolarHBondContact O-CD 3.26Å; P348-T350 WeakPolarHBondContact CG-OG1 3.35Å; P348-T350 PolarHBondContact O-N 2.71Å; P348-V351 HydrophobicContact CG-CG2 4.17Å; P348-V351 WeakPolarHBondContact O-CB 3.1Å; P348-V351 VanDerWaalsContact O-CG2 3.31Å; P348-V351 WeakPolarHBondContact O-CG2 3.22Å; P348-V351 PolarHBondContact O-N 3.42Å; P348-F377 HydrophobicContact CG-CE1 4.02Å
349R94.3Very high97Very high102 Ų10233 Ų3339%0.38517%0.17SC..THydrogen-bonded Turntrans-56.5-22.9177.9-166.6174.8-167.5-165.45.9113.9T232 E233 S235 I237 V351T232-R349 PolarHBondContact O-NH2 2.76Å; E233-R349 IonicContact OE1-CZ 3.72Å; E233-R349 IonicContact OE1-NH1 2.99Å; E233-R349 IonicContact OE1-NH2 3.99Å; E233-R349 PolarHBondContact OE1-NH2 3.06Å; E233-R349 IonicContact OE2-CZ 3.16Å; E233-R349 IonicContact OE2-NH1 3.89Å; E233-R349 PolarHBondContact OE2-NH1 2.95Å; E233-R349 IonicContact OE2-NH2 2.72Å; E233-R349 PolarHBondContact OE2-NH2 2.89Å; S235-R349 PolarHBondContact O-N 2.82Å; I237-R349 HydrophobicContact CD1-CG 4.36Å; R349-V351 PolarHBondContact O-N 2.87Å
350T95.4Very high96.9Very high94 Ų9430.9 Ų30.958%0.57716%0.159SC*.THydrogen-bonded Turntrans-72.2-8.5177.3530000114.3P348P348-T350 WeakPolarHBondContact CG-OG1 3.35Å; P348-T350 PolarHBondContact O-N 2.71Å
351V97.5Very high96.8Very high7 Ų731.6 Ų31.64%0.04216%0.159CC..SBendtrans-54.9131.8173.4161.40000110.3V268 Y345 P348 R349 L372 F377V268-V351 HydrophobicContact CG1-CG2 3.88Å; Y345-V351 HydrophobicContact CE2-CG1 4.24Å; Y345-V351 HydrophobicContact CE2-CG2 4.41Å; P348-V351 HydrophobicContact CG-CG2 4.17Å; P348-V351 WeakPolarHBondContact O-CB 3.1Å; P348-V351 VanDerWaalsContact O-CG2 3.31Å; P348-V351 WeakPolarHBondContact O-CG2 3.22Å; P348-V351 PolarHBondContact O-N 3.42Å; R349-V351 PolarHBondContact O-N 2.87Å; V351-L372 HydrophobicContact CB-CD2 4.31Å; V351-L372 HydrophobicContact CG1-CD2 3.75Å; V351-L372 HydrophobicContact CG2-CD2 3.88Å; V351-F377 HydrophobicContact CG2-CD1 4.38Å; V351-F377 HydrophobicContact CG2-CE1 3.75Å; V351-F377 HydrophobicContact CG2-CZ 4.03Å
352P97.6Very high96.6Very high18 Ų1832 Ų3212%0.11716%0.163CC..PPolyproline II helixtrans-51.8146.8178-28.435.1000113.1Q368 E371 A375 F377P352-Q368 PolarHBondContact O-NE2 3.26Å; P352-E371 HydrophobicContact CB-CG 4.09Å; P352-E371 WeakPolarHBondContact CB-OE1 2.99Å; P352-E371 HydrophobicContact CG-CG 4.18Å; P352-A375 HydrophobicContact CG-CB 4.24Å; P352-F377 HydrophobicContact CG-CE2 4.46Å
353L97.9Very high96.7Very high104 Ų10432.5 Ų32.555%0.54517%0.165SC..PPolyproline II helixtrans-63.3148.4175.3-64.1-177.4000111.4R229R229-L353 VanDerWaalsContact NH2-CA 3.29Å
354Y98.4Very high96.7Very high6 Ų633.1 Ų33.12%0.02417%0.168CC..PPolyproline II helixtrans-65.7137.4174-70.7-94.6000108.8R225 N226 V239 E356 Q368R225-Y354 HydrophobicContact CB-CD2 3.63Å; R225-Y354 HydrophobicContact CB-CE2 3.82Å; R225-Y354 HydrophobicContact CB-CG 4.24Å; R225-Y354 HydrophobicContact CG-CD2 4.46Å; R225-Y354 HydrophobicContact CG-CE2 4.36Å; N226-Y354 PolarHBondContact ND2-O 3.14Å; N226-Y354 PolarHBondContact OD1-N 3.08Å; V239-Y354 HydrophobicContact CG1-CE2 4.33Å; V239-Y354 HydrophobicContact CG2-CE2 4.39Å; Y354-E356 PolarHBondContact O-N 3.32Å; Y354-E356 VanDerWaalsContact O-N 3.16Å; Y354-Q368 VanDerWaalsContact CA-OE1 3.3Å; Y354-Q368 HydrophobicContact CD1-CB 3.72Å; Y354-Q368 HydrophobicContact CD1-CG 3.79Å; Y354-Q368 HydrophobicContact CE1-CB 3.58Å; Y354-Q368 HydrophobicContact CE1-CG 3.43Å; Y354-Q368 VanDerWaalsContact CE1-CG 3.43Å
355D98.1Very high96.6Very high40 Ų4033.6 Ų33.621%0.21417%0.17CC..  trans-68.3113.9175.4-173.2-47.8000110N222 N357 F358 F416N222-D355 WeakPolarHBondContact CB-O 3.17Å; N222-D355 PolarHBondContact ND2-O 3.49Å; D355-N357 PolarHBondContact O-N 3.08Å; D355-N357 WeakPolarHBondContact OD1-CB 3.47Å; D355-N357 PolarHBondContact OD1-N 3.28Å; D355-N357 PolarHBondContact OD1-ND2 3.17Å; D355-F358 HydrophobicContact CB-CD2 3.83Å; D355-F358 HydrophobicContact CB-CE2 4.01Å; D355-F358 PolarHBondContact O-N 2.87Å; D355-F416 HydrophobicContact CB-CD2 4.19Å; D355-F416 HydrophobicContact CB-CE2 3.74Å; D355-F416 WeakPolarHBondContact OD2-CD2 3.48Å; D355-F416 WeakPolarHBondContact OD2-CE2 3.34Å
356E97.9Very high96.6Very high47 Ų4733.4 Ų33.422%0.2217%0.169CC..THydrogen-bonded Turntrans-74.2-7.4-172.1-58.9-176.8168.200113.4L223 N226 Y354 F358L223-E356 HydrophobicContact CB-CG 4.26Å; L223-E356 WeakPolarHBondContact CD1-OE1 3.27Å; N226-E356 VanDerWaalsContact ND2-CG 3.27Å; N226-E356 WeakPolarHBondContact ND2-CG 3.42Å; N226-E356 PolarHBondContact ND2-OE1 2.87Å; Y354-E356 PolarHBondContact O-N 3.32Å; Y354-E356 VanDerWaalsContact O-N 3.16Å; E356-F358 VanDerWaalsContact C-N 3.29Å
357N96.8Very high96.5Very high105 Ų10533.4 Ų33.456%0.56117%0.17SC*.THydrogen-bonded Turntrans-71.9-26.4173-58.9-62.6000111.8D355 K359 L412D355-N357 PolarHBondContact O-N 3.08Å; D355-N357 WeakPolarHBondContact OD1-CB 3.47Å; D355-N357 PolarHBondContact OD1-N 3.28Å; D355-N357 PolarHBondContact OD1-ND2 3.17Å; N357-K359 PolarHBondContact O-N 2.82Å; N357-L412 HydrophobicContact CB-CD1 4.25Å; N357-L412 HydrophobicContact CB-CD2 3.73Å; N357-L412 WeakPolarHBondContact O-CD2 3.43Å
358F97.6Very high96.5Very high1 Ų133.4 Ų33.40%0.00417%0.169CC..  trans-78.5112.9173.7-64.7-90000110D355 E356 F363 N364 N409 L412 F413 F416D355-F358 HydrophobicContact CB-CD2 3.83Å; D355-F358 HydrophobicContact CB-CE2 4.01Å; D355-F358 PolarHBondContact O-N 2.87Å; E356-F358 VanDerWaalsContact C-N 3.29Å; F358-F363 HydrophobicContact CD1-CB 4.14Å; F358-F363 HydrophobicContact CE1-CB 3.94Å; F358-N364 HydrophobicContact CB-CB 3.87Å; F358-N409 HydrophobicContact CD1-CB 4.16Å; F358-L412 HydrophobicContact CD1-CD2 3.73Å; F358-L412 HydrophobicContact CD1-CG 4.28Å; F358-L412 HydrophobicContact CD2-CD2 4.03Å; F358-L412 HydrophobicContact CE1-CB 4.11Å; F358-L412 HydrophobicContact CE1-CD2 3.83Å; F358-L412 HydrophobicContact CE1-CG 3.85Å; F358-L412 HydrophobicContact CE2-CD2 4.13Å; F358-L412 HydrophobicContact CE2-CG 4.21Å; F358-L412 HydrophobicContact CG-CD2 3.84Å; F358-L412 HydrophobicContact CZ-CB 4.43Å; F358-L412 HydrophobicContact CZ-CD2 4.03Å; F358-L412 HydrophobicContact CZ-CG 3.81Å; F358-F413 HydrophobicContact CE1-CB 4.03Å; F358-F413 HydrophobicContact CZ-CB 4.22Å; F358-F413 HydrophobicContact CZ-CD2 4.25Å; F358-F416 HydrophobicContact CE2-CB 4.16Å; F358-F416 AromaticContact CE2-CD2 3.92Å; F358-F416 HydrophobicContact CE2-CD2 3.92Å; F358-F416 HydrophobicContact CE2-CE2 4.45Å; F358-F416 AromaticContact CE2-CG 3.96Å; F358-F416 HydrophobicContact CE2-CG 3.96Å; F358-F416 HydrophobicContact CZ-CB 3.91Å; F358-F416 HydrophobicContact CZ-CD2 4.47Å; F358-F416 HydrophobicContact CZ-CG 4.06Å
359K95.8Very high96.6Very high41 Ų4132.8 Ų32.818%0.17817%0.165CC..  trans-121.6153.2-179.8-57.4-179.9-174.1-175.40110.3Y83 N221 N357 Y361 N409Y83-K359 PolarHBondContact OH-NZ 3.44Å; N221-K359 WeakPolarHBondContact OD1-CA 3.25Å; N357-K359 PolarHBondContact O-N 2.82Å; K359-Y361 PolarHBondContact O-N 3.37Å; K359-N409 PolarHBondContact O-ND2 3.02Å
360Q93.6Very high96.7Very high15 Ų1528 Ų287%0.0715%0.147CC..SBendtrans52.6-127.8179-160.767.3-57.800113Y211 Y219 N221 N364 E405Y211-Q360 PolarHBondContact O-NE2 3.32Å; Y211-Q360 VanDerWaalsContact O-NE2 3.1Å; Y219-Q360 VanDerWaalsContact CB-OE1 3.23Å; Y219-Q360 PolarHBondContact O-N 3Å; N221-Q360 PolarHBondContact OD1-N 3.39Å; N221-Q360 PolarHBondContact OD1-O 3.49Å; Q360-N364 PolarHBondContact O-ND2 3.32Å; Q360-E405 HydrophobicContact CG-CG 4.47Å; Q360-E405 WeakPolarHBondContact CG-OE2 3.48Å
361Y92.1Very high96.9Very high34 Ų3423.6 Ų23.613%0.13312%0.12CC..SBendtrans-91.3135.4-164.4-170.4-82.2000113.9K359 F398 K402 N406 N409K359-Y361 PolarHBondContact O-N 3.37Å; Y361-F398 HydrophobicContact CD2-CD1 4.11Å; Y361-F398 HydrophobicContact CD2-CE1 4.06Å; Y361-F398 AromaticContact CE2-CD1 3.87Å; Y361-F398 HydrophobicContact CE2-CD1 3.87Å; Y361-F398 AromaticContact CE2-CE1 3.48Å; Y361-F398 HydrophobicContact CE2-CE1 3.48Å; Y361-F398 VanDerWaalsContact CE2-CE1 3.48Å; Y361-F398 HydrophobicContact CE2-CZ 4.13Å; Y361-K402 HydrophobicContact CD1-CD 4.4Å; Y361-K402 HydrophobicContact CD1-CG 3.69Å; Y361-K402 HydrophobicContact CD2-CG 3.73Å; Y361-K402 HydrophobicContact CE1-CD 4.24Å; Y361-K402 HydrophobicContact CE1-CG 4Å; Y361-K402 HydrophobicContact CE2-CD 4.44Å; Y361-K402 HydrophobicContact CE2-CG 4.01Å; Y361-K402 HydrophobicContact CG-CG 3.55Å; Y361-K402 VanDerWaalsContact OH-CE 3.29Å; Y361-K402 WeakPolarHBondContact OH-CE 3.46Å; Y361-N406 HydrophobicContact CD1-CB 3.92Å; Y361-N406 HydrophobicContact CE1-CB 4.29Å; Y361-N409 PolarHBondContact O-ND2 2.78Å
362G94.3Very high96.9Very high8 Ų823.2 Ų23.28%0.08212%0.118CC..SBendtrans89.3146167.500000114.8N364 N409G362-N364 PolarHBondContact O-N 2.76Å; G362-N409 WeakPolarHBondContact O-CB 3.47Å; G362-N409 PolarHBondContact O-ND2 3.12Å; G362-N409 VanDerWaalsContact O-ND2 3.1Å
363F96.8Very high97Very high27 Ų2723.9 Ų23.912%0.11812%0.119CC..SBendtrans55.2-3.6176.6-61.1-92.6000117.6F358 I366 S367 N409 R410 F413F358-F363 HydrophobicContact CD1-CB 4.14Å; F358-F363 HydrophobicContact CE1-CB 3.94Å; F363-I366 HydrophobicContact CD1-CB 4.43Å; F363-I366 HydrophobicContact CD1-CD1 3.88Å; F363-I366 HydrophobicContact CD1-CG2 4.41Å; F363-I366 HydrophobicContact CE1-CD1 4.17Å; F363-I366 HydrophobicContact CG-CD1 4.26Å; F363-S367 VanDerWaalsContact O-CB 3.25Å; F363-S367 WeakPolarHBondContact O-CB 2.93Å; F363-S367 PolarHBondContact O-N 3.27Å; F363-S367 PolarHBondContact O-OG 3.32Å; F363-N409 HydrophobicContact CB-CB 4.19Å; F363-N409 HydrophobicContact CD2-CB 4.26Å; F363-R410 HydrophobicContact CD2-CB 3.99Å; F363-R410 HydrophobicContact CE1-CG 4.29Å; F363-R410 HydrophobicContact CE2-CB 3.44Å; F363-R410 VanDerWaalsContact CE2-CB 3.44Å; F363-R410 HydrophobicContact CE2-CG 3.82Å; F363-R410 HydrophobicContact CZ-CB 3.79Å; F363-R410 HydrophobicContact CZ-CG 3.6Å; F363-F413 HydrophobicContact CB-CB 4.21Å; F363-F413 HydrophobicContact CB-CG 4.48Å; F363-F413 HydrophobicContact CD1-CB 3.81Å; F363-F413 AromaticContact CD1-CD1 3.48Å; F363-F413 HydrophobicContact CD1-CD1 3.48Å; F363-F413 VanDerWaalsContact CD1-CD1 3.48Å; F363-F413 HydrophobicContact CD1-CD2 4.43Å; F363-F413 HydrophobicContact CD1-CE1 4.12Å; F363-F413 AromaticContact CD1-CG 3.66Å; F363-F413 HydrophobicContact CD1-CG 3.66Å; F363-F413 AromaticContact CE1-CD1 3.75Å; F363-F413 HydrophobicContact CE1-CD1 3.75Å; F363-F413 HydrophobicContact CE1-CE1 4.31Å; F363-F413 HydrophobicContact CE1-CG 4.35Å; F363-F413 HydrophobicContact CG-CB 4.14Å; F363-F413 HydrophobicContact CG-CG 4.39Å
364N96.1Very high97Very high18 Ų1819.1 Ų19.110%0.0969%0.094CC..Hα-helixtrans-70.7-36.3-177.665.162.7000113.9N221 N222 R225 F358 Q360 G362 S367N221-N364 VanDerWaalsContact ND2-CB 3.34Å; N221-N364 WeakPolarHBondContact ND2-CB 3.5Å; N221-N364 VanDerWaalsContact ND2-CG 3.34Å; N222-N364 PolarHBondContact ND2-O 2.9Å; R225-N364 PolarHBondContact NH1-OD1 3Å; F358-N364 HydrophobicContact CB-CB 3.87Å; Q360-N364 PolarHBondContact O-ND2 3.32Å; G362-N364 PolarHBondContact O-N 2.76Å; N364-S367 PolarHBondContact O-OG 2.73Å; N364-S367 VanDerWaalsContact O-OG 3.1Å
365R96.1Very high96.9Very high13 Ų1320.4 Ų20.45%0.04911%0.106CC..Hα-helixtrans-88.7-32.5172.4-77.8-174.3-179.8-91.2-1.7111.5V239 D241 E342 F344 S367 Q368 A369V239-R365 PolarHBondContact O-NH1 3.32Å; V239-R365 PolarHBondContact O-NH2 3.01Å; D241-R365 IonicContact OD1-CZ 3.17Å; D241-R365 IonicContact OD1-NE 2.68Å; D241-R365 IonicContact OD1-NH2 2.68Å; D241-R365 PolarHBondContact OD1-NH2 2.84Å; E342-R365 HydrophobicContact CB-CB 4.22Å; E342-R365 HydrophobicContact CG-CB 4.18Å; F344-R365 VanDerWaalsContact CE1-CZ 3.42Å; R365-S367 VanDerWaalsContact C-N 3.32Å; R365-S367 PolarHBondContact O-N 3.3Å; R365-Q368 WeakPolarHBondContact O-CB 3.31Å; R365-Q368 PolarHBondContact O-N 2.75Å; R365-A369 PolarHBondContact O-N 3.37Å
366I97.6Very high96.9Very high5 Ų519.3 Ų19.33%0.02611%0.105CC..Hα-helixtrans-58.1-46.1173.8-59.3167.5000110.2P340 E342 F363 Q368 A369 C370 F413P340-I366 HydrophobicContact CB-CD1 3.79Å; P340-I366 HydrophobicContact CB-CG1 4.29Å; P340-I366 HydrophobicContact CB-CG2 4.14Å; E342-I366 HydrophobicContact CG-CB 4.39Å; E342-I366 HydrophobicContact CG-CD1 4.1Å; E342-I366 HydrophobicContact CG-CG1 3.26Å; E342-I366 WeakPolarHBondContact OE1-CD1 3.34Å; E342-I366 WeakPolarHBondContact OE1-CG1 3.41Å; F363-I366 HydrophobicContact CD1-CB 4.43Å; F363-I366 HydrophobicContact CD1-CD1 3.88Å; F363-I366 HydrophobicContact CD1-CG2 4.41Å; F363-I366 HydrophobicContact CE1-CD1 4.17Å; F363-I366 HydrophobicContact CG-CD1 4.26Å; I366-Q368 VanDerWaalsContact C-N 3.31Å; I366-Q368 PolarHBondContact O-N 3.4Å; I366-A369 PolarHBondContact O-N 3.15Å; I366-C370 VanDerWaalsContact O-CB 3.29Å; I366-C370 WeakPolarHBondContact O-CB 3.48Å; I366-C370 PolarHBondContact O-N 3.3Å; I366-F413 HydrophobicContact CG2-CE1 4.19Å; I366-F413 HydrophobicContact CG2-CE2 4.27Å; I366-F413 HydrophobicContact CG2-CZ 3.81Å
367S98.2Very high96.9Very high1 Ų117.8 Ų17.81%0.00710%0.097CC..Hα-helixtrans-60.9-40.5178.763.10000112.1F363 N364 R365 C370 E371 F416F363-S367 VanDerWaalsContact O-CB 3.25Å; F363-S367 WeakPolarHBondContact O-CB 2.93Å; F363-S367 PolarHBondContact O-N 3.27Å; F363-S367 PolarHBondContact O-OG 3.32Å; N364-S367 PolarHBondContact O-OG 2.73Å; N364-S367 VanDerWaalsContact O-OG 3.1Å; R365-S367 VanDerWaalsContact C-N 3.32Å; R365-S367 PolarHBondContact O-N 3.3Å; S367-C370 WeakPolarHBondContact O-CB 3.32Å; S367-C370 PolarHBondContact O-N 2.01Å; S367-E371 PolarHBondContact O-N 3.48Å; S367-F416 WeakPolarHBondContact O-CE1 3.33Å
368Q98.1Very high96.9Very high2 Ų217.8 Ų17.81%0.0099%0.089CC..Hα-helixtrans-61.9-47.4174.9-174.567.817.400112.4Y345 P352 Y354 R365 I366 C370 E371 L372Y345-Q368 HydrophobicContact CE1-CG 4.34Å; Y345-Q368 VanDerWaalsContact OH-CG 3.28Å; Y345-Q368 WeakPolarHBondContact OH-CG 3.34Å; Y345-Q368 PolarHBondContact OH-NE2 3.05Å; P352-Q368 PolarHBondContact O-NE2 3.26Å; Y354-Q368 VanDerWaalsContact CA-OE1 3.3Å; Y354-Q368 HydrophobicContact CD1-CB 3.72Å; Y354-Q368 HydrophobicContact CD1-CG 3.79Å; Y354-Q368 HydrophobicContact CE1-CB 3.58Å; Y354-Q368 HydrophobicContact CE1-CG 3.43Å; Y354-Q368 VanDerWaalsContact CE1-CG 3.43Å; R365-Q368 WeakPolarHBondContact O-CB 3.31Å; R365-Q368 PolarHBondContact O-N 2.75Å; I366-Q368 VanDerWaalsContact C-N 3.31Å; I366-Q368 PolarHBondContact O-N 3.4Å; Q368-C370 VanDerWaalsContact C-N 3.32Å; Q368-C370 PolarHBondContact O-N 3.26Å; Q368-E371 PolarHBondContact O-N 2.96Å; Q368-L372 HydrophobicContact CG-CD1 4.45Å; Q368-L372 WeakPolarHBondContact O-CG 3.4Å; Q368-L372 PolarHBondContact O-N 3.34Å
369A97.9Very high96.9Very high1 Ų117.9 Ų17.91%0.0089%0.09CC..Hα-helixtrans-64.8-39.6179.900000111.9W337 W341 P343 R365 I366 L372 H373W337-A369 PolarHBondContact NE1-O 3.06Å; W341-A369 WeakPolarHBondContact O-CB 3.33Å; P343-A369 HydrophobicContact CG-CB 4.02Å; R365-A369 PolarHBondContact O-N 3.37Å; I366-A369 PolarHBondContact O-N 3.15Å; A369-L372 PolarHBondContact O-N 3.03Å; A369-H373 PolarHBondContact O-N 2.89Å
370C98Very high97Very high0 Ų015.9 Ų15.90%08%0.081CC..Hα-helixtrans-58.7-49.7172162.20000111.5W337 I366 S367 Q368 L372 H373 V374 F413 L420 C431W337-C370 HydrophobicContact CZ2-CB 3.82Å; I366-C370 VanDerWaalsContact O-CB 3.29Å; I366-C370 WeakPolarHBondContact O-CB 3.48Å; I366-C370 PolarHBondContact O-N 3.3Å; S367-C370 WeakPolarHBondContact O-CB 3.32Å; S367-C370 PolarHBondContact O-N 2.01Å; Q368-C370 VanDerWaalsContact C-N 3.32Å; Q368-C370 PolarHBondContact O-N 3.26Å; C370-L372 PolarHBondContact O-N 3.49Å; C370-H373 WeakPolarHBondContact O-CB 3.32Å; C370-H373 PolarHBondContact O-N 2.83Å; C370-V374 WeakPolarHBondContact O-CG2 3.47Å; C370-V374 PolarHBondContact O-N 2.86Å; C370-F413 HydrophobicContact CB-CE2 4.11Å; C370-F413 HydrophobicContact CB-CZ 4.21Å; C370-L420 WeakPolarHBondContact SG-CD1 3.32Å; C370-C431 VanDerWaalsContact C-SG 3.53Å; C370-C431 WeakPolarHBondContact CA-SG 3.37Å; C370-C431 HydrophobicContact CB-CB 4.06Å; C370-C431 WeakPolarHBondContact CB-SG 3.16Å; C370-C431 PolarHBondContact O-SG 3.41Å; C370-C431 VanDerWaalsContact O-SG 3.35Å; C370-C431 WeakPolarHBondContact SG-CB 3.22Å; C370-C431 CovalentContact SG-SG 2.01Å; C370-C431 PolarHBondContact SG-SG 3.37Å
371E98.5Very high97.3Very high2 Ų215.2 Ų15.21%0.0098%0.078CC..Hα-helixtrans-64-42.2178.9178.7163.4-170.100112.4P352 S367 Q368 H373 V374 A375 F416 L420 K423 Y424P352-E371 HydrophobicContact CB-CG 4.09Å; P352-E371 WeakPolarHBondContact CB-OE1 2.99Å; P352-E371 HydrophobicContact CG-CG 4.18Å; S367-E371 PolarHBondContact O-N 3.48Å; Q368-E371 PolarHBondContact O-N 2.96Å; E371-H373 VanDerWaalsContact C-N 3.28Å; E371-H373 PolarHBondContact O-N 3.07Å; E371-V374 PolarHBondContact O-N 3.17Å; E371-A375 WeakPolarHBondContact O-CB 3.48Å; E371-A375 PolarHBondContact O-N 2.95Å; E371-F416 HydrophobicContact CB-CE1 4.38Å; E371-F416 HydrophobicContact CB-CZ 3.96Å; E371-L420 HydrophobicContact CB-CD1 4.28Å; E371-L420 HydrophobicContact CB-CD2 4.07Å; E371-L420 HydrophobicContact CG-CD2 3.89Å; E371-K423 VanDerWaalsContact OE1-CE 3.26Å; E371-K423 WeakPolarHBondContact OE1-CE 3.27Å; E371-K423 IonicContact OE1-NZ 2.75Å; E371-K423 PolarHBondContact OE1-NZ 3.36Å; E371-K423 IonicContact OE2-NZ 3.22Å; E371-Y424 HydrophobicContact CG-CE2 3.91Å; E371-Y424 WeakPolarHBondContact OE1-CE2 3.39Å; E371-Y424 PolarHBondContact OE1-OH 3.28Å
372L98.3Very high97.5Very high0 Ų013.6 Ų13.60%07%0.071CC..Hα-helixtrans-54-46.8173.1-77.7173.2000111.5V268 Y345 V351 Q368 A369 C370 A375 G376 F377 F379V268-L372 HydrophobicContact CG1-CD1 4.38Å; V268-L372 HydrophobicContact CG1-CD2 4.19Å; Y345-L372 HydrophobicContact CD1-CD1 4.31Å; Y345-L372 HydrophobicContact CE1-CD1 3.67Å; Y345-L372 HydrophobicContact CE2-CD1 4.18Å; V351-L372 HydrophobicContact CB-CD2 4.31Å; V351-L372 HydrophobicContact CG1-CD2 3.75Å; V351-L372 HydrophobicContact CG2-CD2 3.88Å; Q368-L372 HydrophobicContact CG-CD1 4.45Å; Q368-L372 WeakPolarHBondContact O-CG 3.4Å; Q368-L372 PolarHBondContact O-N 3.34Å; A369-L372 PolarHBondContact O-N 3.03Å; C370-L372 PolarHBondContact O-N 3.49Å; L372-A375 PolarHBondContact O-N 3.49Å; L372-G376 PolarHBondContact O-N 3.24Å; L372-F377 HydrophobicContact CB-CB 4.2Å; L372-F377 HydrophobicContact CD2-CB 4.13Å; L372-F377 HydrophobicContact CD2-CD1 4.08Å; L372-F377 HydrophobicContact CD2-CD2 3.64Å; L372-F377 HydrophobicContact CD2-CE1 4.41Å; L372-F377 HydrophobicContact CD2-CE2 4.02Å; L372-F377 HydrophobicContact CD2-CG 3.67Å; L372-F377 HydrophobicContact CD2-CZ 4.39Å; L372-F377 WeakPolarHBondContact O-CB 3.37Å; L372-F377 PolarHBondContact O-N 3.23Å; L372-F379 HydrophobicContact CB-CE1 4.22Å; L372-F379 HydrophobicContact CB-CZ 3.82Å; L372-F379 HydrophobicContact CD1-CE1 4.13Å
373H98.1Very high97.5Very high32 Ų3213.7 Ų13.715%0.1487%0.071CC..Hα-helixtrans-59-50.7177.2174.662.7000111.5W337 A369 C370 E371 A375 G376 F379 R429W337-H373 HydrophobicContact CB-CB 3.74Å; W337-H373 HydrophobicContact CD2-CB 3.86Å; W337-H373 AromaticContact CD2-CD2 3.94Å; W337-H373 AromaticContact CD2-CG 3.85Å; W337-H373 HydrophobicContact CE3-CB 4.32Å; W337-H373 AromaticContact CE3-CD2 3.48Å; W337-H373 VanDerWaalsContact CE3-CD2 3.48Å; W337-H373 AromaticContact CE3-CG 3.85Å; W337-H373 AromaticContact CE3-NE2 3.96Å; W337-H373 HydrophobicContact CG-CB 3.56Å; W337-H373 AromaticContact CG-CG 3.75Å; A369-H373 PolarHBondContact O-N 2.89Å; C370-H373 WeakPolarHBondContact O-CB 3.32Å; C370-H373 PolarHBondContact O-N 2.83Å; E371-H373 VanDerWaalsContact C-N 3.28Å; E371-H373 PolarHBondContact O-N 3.07Å; H373-A375 VanDerWaalsContact C-N 3.31Å; H373-A375 PolarHBondContact O-N 3.38Å; H373-G376 PolarHBondContact O-N 2.89Å; H373-G376 VanDerWaalsContact O-N 3.14Å; H373-F379 HydrophobicContact CB-CE2 4.25Å; H373-F379 HydrophobicContact CB-CZ 4.46Å; H373-R429 WeakPolarHBondContact O-CD 3.37Å; H373-R429 PolarHBondContact O-NH1 3.48Å
374V98.3Very high97.4Very high4 Ų413 Ų132%0.0247%0.07CC..Hα-helixtrans-63.9-36.2179.9177.10000111.8C370 E371 G376 L420 Y424 S427C370-V374 WeakPolarHBondContact O-CG2 3.47Å; C370-V374 PolarHBondContact O-N 2.86Å; E371-V374 PolarHBondContact O-N 3.17Å; V374-G376 PolarHBondContact O-N 3.49Å; V374-L420 HydrophobicContact CB-CD1 4.26Å; V374-L420 HydrophobicContact CG1-CB 4.35Å; V374-L420 HydrophobicContact CG2-CD1 3.93Å; V374-Y424 HydrophobicContact CG1-CD2 3.76Å; V374-Y424 HydrophobicContact CG1-CG 3.98Å; V374-S427 VanDerWaalsContact O-CB 3.23Å; V374-S427 WeakPolarHBondContact O-CB 3.39Å; V374-S427 PolarHBondContact O-OG 3.49Å
375A97.7Very high97.5Very high32 Ų3212.2 Ų12.226%0.2647%0.065SC..THydrogen-bonded Turntrans-73.2-2.3177.700000113.9P352 E371 L372 H373 F377 Y424P352-A375 HydrophobicContact CG-CB 4.24Å; E371-A375 WeakPolarHBondContact O-CB 3.48Å; E371-A375 PolarHBondContact O-N 2.95Å; L372-A375 PolarHBondContact O-N 3.49Å; H373-A375 VanDerWaalsContact C-N 3.31Å; H373-A375 PolarHBondContact O-N 3.38Å; A375-F377 HydrophobicContact CB-CD2 3.93Å; A375-F377 HydrophobicContact CB-CE2 4.04Å; A375-Y424 HydrophobicContact CB-CD1 4.34Å; A375-Y424 HydrophobicContact CB-CE1 3.71Å
376G97.1Very high97.6Very high18 Ų1811.6 Ų11.619%0.1866%0.063CC..THydrogen-bonded Turntrans100-3.917400000114.9L372 H373 V374 R429L372-G376 PolarHBondContact O-N 3.24Å; H373-G376 PolarHBondContact O-N 2.89Å; H373-G376 VanDerWaalsContact O-N 3.14Å; V374-G376 PolarHBondContact O-N 3.49Å; G376-R429 VanDerWaalsContact CA-NH1 3.32Å; G376-R429 PolarHBondContact O-NH1 2.92Å; G376-R429 PolarHBondContact O-NH2 3Å
377F97.9Very high97.6Very high15 Ų1511.3 Ų11.37%0.0666%0.062CC..  trans-63146.3-177.2-71.8-99.2000112.7D266 V268 P348 V351 P352 L372 A375 R429D266-F377 CarbonylContact O-C 3.59Å; D266-F377 VanDerWaalsContact O-CA 3.27Å; D266-F377 WeakPolarHBondContact O-CA 3.43Å; V268-F377 HydrophobicContact CG1-CD1 3.84Å; V268-F377 HydrophobicContact CG1-CE1 4.43Å; P348-F377 HydrophobicContact CG-CE1 4.02Å; V351-F377 HydrophobicContact CG2-CD1 4.38Å; V351-F377 HydrophobicContact CG2-CE1 3.75Å; V351-F377 HydrophobicContact CG2-CZ 4.03Å; P352-F377 HydrophobicContact CG-CE2 4.46Å; L372-F377 HydrophobicContact CB-CB 4.2Å; L372-F377 HydrophobicContact CD2-CB 4.13Å; L372-F377 HydrophobicContact CD2-CD1 4.08Å; L372-F377 HydrophobicContact CD2-CD2 3.64Å; L372-F377 HydrophobicContact CD2-CE1 4.41Å; L372-F377 HydrophobicContact CD2-CE2 4.02Å; L372-F377 HydrophobicContact CD2-CG 3.67Å; L372-F377 HydrophobicContact CD2-CZ 4.39Å; L372-F377 WeakPolarHBondContact O-CB 3.37Å; L372-F377 PolarHBondContact O-N 3.23Å; A375-F377 HydrophobicContact CB-CD2 3.93Å; A375-F377 HydrophobicContact CB-CE2 4.04Å; F377-R429 PolarHBondContact O-NH1 3.42Å
378R97.1Very high97.6Very high104 Ų10411.3 Ų11.339%0.3926%0.061SC..EExtended strand (participates in β ladder)trans-104.3144174.9-55-179.6-57.5154.416109D266 E267 V268D266-R378 PolarHBondContact O-N 2.87Å; D266-R378 IonicContact OD1-NE 3.73Å; E267-R378 IonicContact OE2-NH2 2.67Å; E267-R378 PolarHBondContact OE2-NH2 2.68Å; E267-R378 VanDerWaalsContact OE2-NH2 3.1Å; V268-R378 WeakPolarHBondContact CG2-O 3.33Å; V268-R378 PolarHBondContact N-O 3.1Å
379F98.3Very high97.5Very high3 Ų311.7 Ų11.71%0.0136%0.063CC..EExtended strand (participates in β ladder)trans-108.9115.2-177-59.1-91.5000110.1V268 V270 T334 L335 W337 W341 L372 H373V268-F379 HydrophobicContact CG2-CD1 3.4Å; V268-F379 HydrophobicContact CG2-CE1 3.78Å; V268-F379 HydrophobicContact CG2-CG 4.13Å; V270-F379 HydrophobicContact CG2-CB 4.11Å; V270-F379 HydrophobicContact CG2-CD1 4.05Å; T334-F379 CarbonylContact C-O 3.24Å; T334-F379 VanDerWaalsContact CA-O 3.25Å; T334-F379 WeakPolarHBondContact CA-O 3.25Å; L335-F379 PolarHBondContact N-O 3.31Å; W337-F379 HydrophobicContact CB-CD2 4.37Å; W337-F379 HydrophobicContact CB-CE2 3.83Å; W337-F379 HydrophobicContact CB-CZ 4.48Å; W337-F379 HydrophobicContact CG-CE2 4.43Å; W341-F379 HydrophobicContact CE3-CD1 4.4Å; W341-F379 HydrophobicContact CE3-CE1 4.39Å; W341-F379 HydrophobicContact CH2-CB 3.78Å; W341-F379 AromaticContact CH2-CD1 3.69Å; W341-F379 HydrophobicContact CH2-CD1 3.69Å; W341-F379 HydrophobicContact CH2-CE1 4.43Å; W341-F379 AromaticContact CH2-CG 3.81Å; W341-F379 HydrophobicContact CH2-CG 3.81Å; W341-F379 HydrophobicContact CZ3-CB 3.95Å; W341-F379 AromaticContact CZ3-CD1 3.32Å; W341-F379 HydrophobicContact CZ3-CD1 3.32Å; W341-F379 AromaticContact CZ3-CD2 3.96Å; W341-F379 HydrophobicContact CZ3-CD2 3.96Å; W341-F379 AromaticContact CZ3-CE1 3.69Å; W341-F379 HydrophobicContact CZ3-CE1 3.69Å; W341-F379 HydrophobicContact CZ3-CE2 4.3Å; W341-F379 AromaticContact CZ3-CG 3.47Å; W341-F379 HydrophobicContact CZ3-CG 3.47Å; W341-F379 VanDerWaalsContact CZ3-CG 3.47Å; W341-F379 HydrophobicContact CZ3-CZ 4.17Å; L372-F379 HydrophobicContact CB-CE1 4.22Å; L372-F379 HydrophobicContact CB-CZ 3.82Å; L372-F379 HydrophobicContact CD1-CE1 4.13Å; H373-F379 HydrophobicContact CB-CE2 4.25Å; H373-F379 HydrophobicContact CB-CZ 4.46Å
380S98.1Very high97.2Very high0 Ų016.4 Ų16.40%08%0.081CC..EExtended strand (participates in β ladder)trans-112113.7179.9-71.30000110.1E267 V268 F269 V270E267-S380 VanDerWaalsContact OE1-CB 3.29Å; E267-S380 WeakPolarHBondContact OE1-CB 3.19Å; E267-S380 PolarHBondContact OE1-OG 2.93Å; V268-S380 PolarHBondContact O-N 3.1Å; F269-S380 CarbonylContact C-O 3.56Å; F269-S380 VanDerWaalsContact CA-O 3.28Å; F269-S380 WeakPolarHBondContact CA-O 3.37Å; V270-S380 PolarHBondContact N-O 2.77Å
381V98Very high96.9Very high0 Ų017.6 Ų17.60%09%0.093CC..EExtended strand (participates in β ladder)trans-78.1126.8179.4-175.20000109.9V270 P272 A332 Y333 L335V270-V381 HydrophobicContact CB-CG2 4.24Å; V270-V381 HydrophobicContact CG1-CG2 4.43Å; P272-V381 HydrophobicContact CG-CG1 3.9Å; A332-V381 PolarHBondContact N-O 3.07Å; Y333-V381 HydrophobicContact CD2-CB 4.08Å; Y333-V381 HydrophobicContact CD2-CG2 3.91Å; Y333-V381 HydrophobicContact CE1-CB 4.39Å; Y333-V381 HydrophobicContact CE1-CG1 4.36Å; Y333-V381 HydrophobicContact CE2-CB 3.77Å; Y333-V381 HydrophobicContact CE2-CG1 4.19Å; Y333-V381 HydrophobicContact CE2-CG2 3.47Å; Y333-V381 VanDerWaalsContact CE2-CG2 3.47Å; Y333-V381 PolarHBondContact O-N 3.1Å; L335-V381 HydrophobicContact CD1-CG2 3.34Å; L335-V381 HydrophobicContact CG-CG2 3.91Å
382L97.3Very high96.6Very high0 Ų018.5 Ų18.50%010%0.097CC..EExtended strand (participates in β ladder)trans-74143178.1-69.3179.1000111.6M257 F269 V270 L271 W318 L329 D330 V331 I346 A385M257-L382 HydrophobicContact CE-CD2 3.77Å; M257-L382 HydrophobicContact SD-CD2 3.66Å; F269-L382 HydrophobicContact CB-CD1 4Å; F269-L382 HydrophobicContact CB-CD2 4Å; F269-L382 HydrophobicContact CB-CG 3.95Å; F269-L382 HydrophobicContact CD1-CD2 3.81Å; F269-L382 HydrophobicContact CG-CD2 4.28Å; V270-L382 PolarHBondContact O-N 3.19Å; L271-L382 HydrophobicContact CD1-CD1 4.01Å; L271-L382 HydrophobicContact CG-CD1 4.11Å; W318-L382 PolarHBondContact NE1-O 3.18Å; L329-L382 HydrophobicContact CD1-CB 3.95Å; L329-L382 HydrophobicContact CD1-CD1 4.42Å; L329-L382 HydrophobicContact CD1-CD2 4.27Å; L329-L382 HydrophobicContact CD1-CG 4.44Å; L329-L382 HydrophobicContact CD2-CD1 4.33Å; L329-L382 HydrophobicContact CD2-CD2 4.35Å; L329-L382 HydrophobicContact CG-CD2 4.25Å; D330-L382 CarbonylContact O-C 3.59Å; D330-L382 WeakPolarHBondContact O-CA 3.37Å; V331-L382 HydrophobicContact CG2-CD2 4.36Å; I346-L382 HydrophobicContact CD1-CD1 4.25Å; L382-A385 HydrophobicContact CB-CB 3.86Å; L382-A385 HydrophobicContact CD1-CB 3.7Å; L382-A385 HydrophobicContact CG-CB 4.43Å
383S95.1Very high96.3Very high11 Ų1120 Ų208%0.07710%0.104CC..SBendtrans-75.7-33.7-169.363.20000115.5K286 D330K286-S383 WeakPolarHBondContact CD-O 3.21Å; K286-S383 PolarHBondContact NZ-O 3.19Å; D330-S383 PolarHBondContact N-OG 3.45Å; D330-S383 WeakPolarHBondContact O-CB 3.25Å; D330-S383 PolarHBondContact O-N 2.9Å; D330-S383 PolarHBondContact O-OG 2.78Å
384S94.6Very high95.9Very high12 Ų1221 Ų218%0.08411%0.109CC..SBendtrans-130.7-11.3-174.556.80000114.3L329 F386L329-S384 VanDerWaalsContact CD1-OG 3.3Å; L329-S384 WeakPolarHBondContact CD1-OG 3.45Å; S384-F386 WeakPolarHBondContact O-CD1 3.22Å
385A96.9Very high95.3Very high1 Ų126.6 Ų26.61%0.00814%0.135CC..  trans-81.9142.2176.100000111.8L250 L271 P272 W318 L329 L382L250-A385 HydrophobicContact CD1-CB 3.45Å; L250-A385 VanDerWaalsContact CD1-CB 3.45Å; L271-A385 HydrophobicContact CD2-CB 3.99Å; L271-A385 HydrophobicContact CG-CB 4.14Å; P272-A385 WeakPolarHBondContact CD-O 3.4Å; W318-A385 WeakPolarHBondContact CZ2-O 3.29Å; L329-A385 HydrophobicContact CD1-CB 3.64Å; L382-A385 HydrophobicContact CB-CB 3.86Å; L382-A385 HydrophobicContact CD1-CB 3.7Å; L382-A385 HydrophobicContact CG-CB 4.43Å
386F98.2Very high94.5Very high0 Ų028.8 Ų28.80%016%0.161CC..  trans-155.1169.4177.858.8-89.6000110.1P246 S247 P272 F274 P283 T285 L289 W318 S384 V388P246-F386 WeakPolarHBondContact CA-O 3.19Å; S247-F386 VanDerWaalsContact CB-CE1 3.46Å; S247-F386 PolarHBondContact N-O 2.65Å; P272-F386 WeakPolarHBondContact O-CA 3.27Å; P272-F386 WeakPolarHBondContact O-CB 3.36Å; F274-F386 HydrophobicContact CD2-CB 4.18Å; F274-F386 HydrophobicContact CE2-CB 4.09Å; P283-F386 HydrophobicContact CB-CZ 4.42Å; P283-F386 HydrophobicContact CG-CE2 4.31Å; P283-F386 WeakPolarHBondContact O-CZ 3.34Å; T285-F386 VanDerWaalsContact C-CE1 3.47Å; L289-F386 HydrophobicContact CB-CE1 4.31Å; L289-F386 HydrophobicContact CB-CE2 4.43Å; L289-F386 HydrophobicContact CB-CZ 4.12Å; L289-F386 HydrophobicContact CD1-CD2 3.99Å; L289-F386 HydrophobicContact CD1-CE2 3.89Å; L289-F386 HydrophobicContact CD1-CZ 4.43Å; L289-F386 HydrophobicContact CD2-CB 4.31Å; L289-F386 HydrophobicContact CD2-CD1 3.95Å; L289-F386 HydrophobicContact CD2-CD2 4.03Å; L289-F386 HydrophobicContact CD2-CE1 4.28Å; L289-F386 HydrophobicContact CD2-CE2 4.36Å; L289-F386 HydrophobicContact CD2-CG 3.82Å; L289-F386 HydrophobicContact CD2-CZ 4.47Å; L289-F386 HydrophobicContact CG-CE2 4.47Å; W318-F386 HydrophobicContact CH2-CB 4.01Å; W318-F386 AromaticContact CH2-CD1 3.93Å; W318-F386 HydrophobicContact CH2-CD1 3.93Å; W318-F386 HydrophobicContact CH2-CG 4.29Å; W318-F386 HydrophobicContact CZ2-CB 4.25Å; W318-F386 HydrophobicContact CZ2-CD1 4.42Å; S384-F386 WeakPolarHBondContact O-CD1 3.22Å; F386-V388 HydrophobicContact CD2-CG2 3.48Å; F386-V388 VanDerWaalsContact CD2-CG2 3.48Å; F386-V388 HydrophobicContact CE2-CG2 3.5Å
387V98.6Very high93.9Very high0 Ų033.3 Ų33.30%018%0.177CC..EExtended strand (participates in β ladder)trans-126.4146168.5-67.40000110.2I240 M244 M245 P246 L271 P272 A273 F274 F344I240-V387 HydrophobicContact CG2-CG1 4.08Å; M244-V387 HydrophobicContact CE-CB 3.83Å; M244-V387 HydrophobicContact CE-CG2 3.45Å; M244-V387 VanDerWaalsContact CE-CG2 3.45Å; M245-V387 CarbonylContact O-C 3.59Å; M245-V387 VanDerWaalsContact O-CA 3.31Å; M245-V387 WeakPolarHBondContact O-CA 3.35Å; P246-V387 HydrophobicContact CB-CG1 4.41Å; L271-V387 HydrophobicContact CD2-CG1 4.01Å; P272-V387 PolarHBondContact O-N 3.3Å; P272-V387 VanDerWaalsContact O-N 3.08Å; A273-V387 WeakPolarHBondContact CA-O 3.28Å; A273-V387 HydrophobicContact CB-CG2 3.76Å; F274-V387 PolarHBondContact N-O 3.06Å; F344-V387 HydrophobicContact CB-CG2 3.97Å; F344-V387 HydrophobicContact CD1-CG2 4.33Å; F344-V387 HydrophobicContact CD2-CG2 4.04Å; F344-V387 HydrophobicContact CG-CG2 3.85Å
388V98Very high93.3Very high0 Ų034.2 Ų34.20%018%0.181CC..EExtended strand (participates in β ladder)trans-128126.4-178.4-172.20000110.8M245 F274 I276 I282 P283 L289 F386M245-V388 PolarHBondContact N-O 3.33Å; M245-V388 PolarHBondContact O-N 3.23Å; F274-V388 HydrophobicContact CB-CG2 4.46Å; F274-V388 CarbonylContact O-C 3.59Å; F274-V388 WeakPolarHBondContact O-CA 3.29Å; I276-V388 HydrophobicContact CB-CG1 3.81Å; I276-V388 HydrophobicContact CG2-CG1 3.59Å; I282-V388 HydrophobicContact CG2-CB 3.96Å; I282-V388 HydrophobicContact CG2-CG1 4.29Å; I282-V388 HydrophobicContact CG2-CG2 4.23Å; P283-V388 HydrophobicContact CG-CG2 4.27Å; L289-V388 HydrophobicContact CD1-CG2 3.89Å; F386-V388 HydrophobicContact CD2-CG2 3.48Å; F386-V388 VanDerWaalsContact CD2-CG2 3.48Å; F386-V388 HydrophobicContact CE2-CG2 3.5Å
389H96.4Very high92.7Very high10 Ų1030.1 Ų30.15%0.04617%0.166CC..EExtended strand (participates in β ladder)trans-83.5137.3167.7-179.7-96.3000111D243 M244 F274 E275 I276 F301 G391 K393D243-H389 IonicContact OD1-CD2 3.31Å; D243-H389 IonicContact OD2-CD2 3.32Å; D243-H389 PolarHBondContact OD2-CD2 3.14Å; D243-H389 IonicContact OD2-NE2 3.13Å; D243-H389 PolarHBondContact OD2-NE2 3.14Å; D243-H389 VanDerWaalsContact OD2-NE2 3.14Å; M244-H389 HydrophobicContact CE-CB 4.44Å; M244-H389 HydrophobicContact SD-CB 3.5Å; M244-H389 VanDerWaalsContact SD-CB 3.5Å; F274-H389 PolarHBondContact O-N 3.06Å; E275-H389 WeakPolarHBondContact CA-O 3.1Å; E275-H389 HydrophobicContact CB-CB 4.24Å; I276-H389 WeakPolarHBondContact CG2-O 3.29Å; I276-H389 PolarHBondContact N-O 3.02Å; I276-H389 VanDerWaalsContact N-O 3.08Å; F301-H389 HydrophobicContact CD2-CB 3.84Å; F301-H389 HydrophobicContact CE2-CB 3.56Å; F301-H389 AromaticContact CE2-CG 3.78Å; H389-G391 PolarHBondContact CE1-O 3.26Å; H389-G391 PolarHBondContact ND1-O 3.15Å; H389-K393 WeakPolarHBondContact CE1-CE 3.31Å; H389-K393 PolarHBondContact CE1-NZ 2.99Å; H389-K393 VanDerWaalsContact CE1-NZ 3.28Å; H389-K393 WeakPolarHBondContact NE2-CE 3.41Å; H389-K393 PolarHBondContact NE2-NZ 3.45Å
390R91.3Very high92.2Very high100 Ų10035.2 Ų35.238%0.37721%0.209SC..EExtended strand (participates in β ladder)trans-80.1118.8174.9-65.8-173-179.3-101.58.8111.7I282I282-R390 HydrophobicContact CD1-CG 3.79Å; I282-R390 HydrophobicContact CG1-CG 4.44Å; I282-R390 VanDerWaalsContact CG1-CZ 3.45Å
391G91.4Very high91.8Very high25 Ų2540.3 Ų40.326%0.25823%0.231SC..SBendtrans89150-176.500000111.4I276 H389I276-G391 CarbonylContact O-C 3.44Å; I276-G391 WeakPolarHBondContact O-CA 3.27Å; I276-G391 PolarHBondContact O-N 3Å; H389-G391 PolarHBondContact CE1-O 3.26Å; H389-G391 PolarHBondContact ND1-O 3.15Å
392F93.1Very high91.4Very high21 Ų2141.1 Ų41.19%0.09224%0.235CC..  trans-77.6136.8174.8-77.12000110E275 R277 R299 I394E275-F392 HydrophobicContact CB-CD1 4.07Å; E275-F392 HydrophobicContact CG-CD1 3.75Å; E275-F392 HydrophobicContact CG-CE1 4.12Å; E275-F392 HydrophobicContact CG-CG 4.48Å; E275-F392 WeakPolarHBondContact O-CE1 3.29Å; R277-F392 HydrophobicContact CB-CD1 3.91Å; R277-F392 HydrophobicContact CB-CD2 4.08Å; R277-F392 HydrophobicContact CB-CE1 3.65Å; R277-F392 HydrophobicContact CB-CE2 3.85Å; R277-F392 HydrophobicContact CB-CG 4.13Å; R277-F392 HydrophobicContact CB-CZ 3.62Å; R277-F392 HydrophobicContact CG-CD2 4.11Å; R277-F392 HydrophobicContact CG-CE2 4.19Å; R277-F392 HydrophobicContact CG-CG 4.34Å; R277-F392 HydrophobicContact CG-CZ 4.45Å; R299-F392 HydrophobicContact CG-CD1 4.49Å; R299-F392 HydrophobicContact CG-CE1 3.92Å; R299-F392 HydrophobicContact CG-CE2 4.35Å; R299-F392 HydrophobicContact CG-CZ 3.84Å; F392-I394 HydrophobicContact CB-CG2 3.98Å; F392-I394 PolarHBondContact O-N 3.31Å
393K90.6Very high91.1Very high33 Ų3346.6 Ų46.614%0.14326%0.261CS..  trans-86.2109.4172.1-64.2-71-158.6-159.10107.5D243 E275 F301 Y302 L305 H389 F398D243-K393 IonicContact OD2-NZ 2.79Å; E275-K393 PolarHBondContact OE1-N 3.19Å; E275-K393 WeakPolarHBondContact OE2-CB 3.42Å; E275-K393 PolarHBondContact OE2-N 2.94Å; E275-K393 VanDerWaalsContact OE2-N 3.08Å; F301-K393 HydrophobicContact CE2-CG 4.08Å; Y302-K393 HydrophobicContact CD1-CB 3.8Å; Y302-K393 HydrophobicContact CD1-CG 4.05Å; Y302-K393 HydrophobicContact CE1-CB 3.87Å; Y302-K393 HydrophobicContact CE1-CD 4.46Å; Y302-K393 HydrophobicContact CE1-CG 3.77Å; L305-K393 HydrophobicContact CD1-CB 3.59Å; L305-K393 WeakPolarHBondContact CG-O 3.31Å; H389-K393 WeakPolarHBondContact CE1-CE 3.31Å; H389-K393 PolarHBondContact CE1-NZ 2.99Å; H389-K393 VanDerWaalsContact CE1-NZ 3.28Å; H389-K393 WeakPolarHBondContact NE2-CE 3.41Å; H389-K393 PolarHBondContact NE2-NZ 3.45Å; K393-F398 HydrophobicContact CB-CZ 4.48Å
394I90.1Very high91Very high52 Ų5250.6 Ų50.627%0.26728%0.278SS..  trans-119.2163.7-175.465.5173.4000112.1E304 F392 E397 F398E304-I394 WeakPolarHBondContact OE2-CG2 3.44Å; F392-I394 HydrophobicContact CB-CG2 3.98Å; F392-I394 PolarHBondContact O-N 3.31Å; I394-E397 HydrophobicContact CD1-CG 4Å; I394-E397 WeakPolarHBondContact CD1-OE1 3.36Å; I394-E397 HydrophobicContact CG1-CB 4.29Å; I394-E397 HydrophobicContact CG1-CG 3.63Å; I394-F398 WeakPolarHBondContact O-CE2 3.18Å
395H84.9Confident90.9Very high122 Ų12251 Ų5157%0.56528%0.279SS*.THydrogen-bonded Turntrans-62.8142.1174.3-69.7-79.6000111.2E304 E397E304-H395 PolarHBondContact O-NE2 2.69Å; H395-E397 VanDerWaalsContact C-N 3.34Å; H395-E397 PolarHBondContact O-N 3.47Å
396G81.6Confident90.8Very high78 Ų7853.1 Ų53.180%0.80429%0.29SS*.THydrogen-bonded Turntrans87.9-12.5176.700000115.6F398G396-F398 VanDerWaalsContact C-N 3.34Å
397E84.7Confident90.7Very high113 Ų11359.3 Ų59.353%0.52832%0.316SS..  trans-90.95.8176.7-69.7-170.9167.600113.9N210 I394 H395N210-E397 PolarHBondContact ND2-O 2.95Å; I394-E397 HydrophobicContact CD1-CG 4Å; I394-E397 WeakPolarHBondContact CD1-OE1 3.36Å; I394-E397 HydrophobicContact CG1-CB 4.29Å; I394-E397 HydrophobicContact CG1-CG 3.63Å; H395-E397 VanDerWaalsContact C-N 3.34Å; H395-E397 PolarHBondContact O-N 3.47Å
398F84.8Confident90.6Very high33 Ų3364.1 Ų64.115%0.14534%0.339CS..SBendtrans-92.5160.9176.9-69-88.3000111.9L305 Y361 K393 I394 G396 K402L305-F398 HydrophobicContact CD1-CE2 3.35Å; L305-F398 HydrophobicContact CD1-CZ 3.31Å; L305-F398 HydrophobicContact CD2-CE2 3.92Å; L305-F398 HydrophobicContact CG-CE2 4.29Å; Y361-F398 HydrophobicContact CD2-CD1 4.11Å; Y361-F398 HydrophobicContact CD2-CE1 4.06Å; Y361-F398 AromaticContact CE2-CD1 3.87Å; Y361-F398 HydrophobicContact CE2-CD1 3.87Å; Y361-F398 AromaticContact CE2-CE1 3.48Å; Y361-F398 HydrophobicContact CE2-CE1 3.48Å; Y361-F398 VanDerWaalsContact CE2-CE1 3.48Å; Y361-F398 HydrophobicContact CE2-CZ 4.13Å; K393-F398 HydrophobicContact CB-CZ 4.48Å; I394-F398 WeakPolarHBondContact O-CE2 3.18Å; G396-F398 VanDerWaalsContact C-N 3.34Å; F398-K402 HydrophobicContact CB-CB 3.96Å; F398-K402 HydrophobicContact CB-CD 3.8Å; F398-K402 HydrophobicContact CB-CG 3.9Å; F398-K402 HydrophobicContact CD1-CD 4.28Å; F398-K402 HydrophobicContact CD1-CG 4.09Å; F398-K402 HydrophobicContact CD2-CD 4.28Å; F398-K402 HydrophobicContact CG-CD 3.85Å; F398-K402 HydrophobicContact CG-CG 4.05Å
399H86.1Confident90.5Very high18 Ų1864.7 Ų64.78%0.08334%0.342CS..  trans-66.8153.9173.262.7-70.7000111.9A212 K401 K402 E405A212-H399 HydrophobicContact CB-CB 3.57Å; H399-K401 PolarHBondContact O-N 2.89Å; H399-K402 VanDerWaalsContact O-CB 3.27Å; H399-K402 WeakPolarHBondContact O-CB 3.44Å; H399-K402 PolarHBondContact O-N 3.45Å; H399-K402 VanDerWaalsContact O-N 3.1Å; H399-E405 IonicContact CD2-OE1 2.66Å; H399-E405 IonicContact CD2-OE2 2.65Å; H399-E405 IonicContact CE1-OE2 3.16Å; H399-E405 PolarHBondContact CE1-OE2 2.7Å; H399-E405 VanDerWaalsContact CE1-OE2 3.31Å; H399-E405 IonicContact NE2-OE1 3.87Å; H399-E405 PolarHBondContact NE2-OE1 3.25Å; H399-E405 IonicContact NE2-OE2 3.88Å; H399-E405 PolarHBondContact NE2-OE2 2.98Å
400A86.8Confident90.5Very high111 Ų11171 Ų7192%0.91737%0.366SS*.THydrogen-bonded Turntrans-58.1-24.5-169.400000115.5
401K88.8Confident90.8Very high106 Ų10670.6 Ų70.646%0.46137%0.37SS..THydrogen-bonded Turntrans-93.2-2.2-176.2-66.5-177.8177.7172.60114.4N216 H399 E403 E404 E405N216-K401 PolarHBondContact OD1-NZ 3.3Å; H399-K401 PolarHBondContact O-N 2.89Å; K401-E403 VanDerWaalsContact C-N 3.29Å; K401-E403 PolarHBondContact O-N 2.9Å; K401-E404 PolarHBondContact O-N 2.9Å; K401-E405 HydrophobicContact CB-CG 4.4Å; K401-E405 WeakPolarHBondContact O-CG 3.39Å; K401-E405 PolarHBondContact O-N 3.18Å
402K90.6Very high91.1Very high18 Ų1871.8 Ų71.88%0.07837%0.37CS..Hα-helixtrans-51.2-43-174.6176.7-118.9174.8-169.40113.5Y361 F398 H399 N406Y361-K402 HydrophobicContact CD1-CD 4.4Å; Y361-K402 HydrophobicContact CD1-CG 3.69Å; Y361-K402 HydrophobicContact CD2-CG 3.73Å; Y361-K402 HydrophobicContact CE1-CD 4.24Å; Y361-K402 HydrophobicContact CE1-CG 4Å; Y361-K402 HydrophobicContact CE2-CD 4.44Å; Y361-K402 HydrophobicContact CE2-CG 4.01Å; Y361-K402 HydrophobicContact CG-CG 3.55Å; Y361-K402 VanDerWaalsContact OH-CE 3.29Å; Y361-K402 WeakPolarHBondContact OH-CE 3.46Å; F398-K402 HydrophobicContact CB-CB 3.96Å; F398-K402 HydrophobicContact CB-CD 3.8Å; F398-K402 HydrophobicContact CB-CG 3.9Å; F398-K402 HydrophobicContact CD1-CD 4.28Å; F398-K402 HydrophobicContact CD1-CG 4.09Å; F398-K402 HydrophobicContact CD2-CD 4.28Å; F398-K402 HydrophobicContact CG-CD 3.85Å; F398-K402 HydrophobicContact CG-CG 4.05Å; H399-K402 VanDerWaalsContact O-CB 3.27Å; H399-K402 WeakPolarHBondContact O-CB 3.44Å; H399-K402 PolarHBondContact O-N 3.45Å; H399-K402 VanDerWaalsContact O-N 3.1Å; K402-N406 VanDerWaalsContact O-CB 3.29Å; K402-N406 WeakPolarHBondContact O-CB 3.25Å; K402-N406 PolarHBondContact O-N 2.93Å
403E91.3Very high91.4Very high115 Ų11571.1 Ų71.154%0.53737%0.367SS..Hα-helixtrans-70.1-37.4-179.6-65.7-55.6141.700113.3K401 N406 K407K401-E403 VanDerWaalsContact C-N 3.29Å; K401-E403 PolarHBondContact O-N 2.9Å; E403-N406 PolarHBondContact O-N 3.27Å; E403-K407 WeakPolarHBondContact O-CB 3.45Å; E403-K407 PolarHBondContact O-N 3.38Å
404E92.1Very high91.6Very high94 Ų9476.7 Ų76.744%0.43939%0.387SS..Hα-helixtrans-68.7-43.1176.8178.156.6-160.400110.9K401 N406 K407 Q408K401-E404 PolarHBondContact O-N 2.9Å; E404-N406 PolarHBondContact O-N 2.76Å; E404-K407 WeakPolarHBondContact O-CB 3.41Å; E404-K407 PolarHBondContact O-N 3.37Å; E404-Q408 VanDerWaalsContact O-CG 3.32Å; E404-Q408 WeakPolarHBondContact O-CG 3.37Å; E404-Q408 PolarHBondContact O-N 3.06Å; E404-Q408 PolarHBondContact OE1-NE2 3.47Å
405E93.6Very high92Very high22 Ų2278 Ų7810%0.10340%0.401CS..Hα-helixtrans-61.3-44.1174.4-67.2162-178.100111.7Q360 H399 K401 K407 Q408 N409Q360-E405 HydrophobicContact CG-CG 4.47Å; Q360-E405 WeakPolarHBondContact CG-OE2 3.48Å; H399-E405 IonicContact CD2-OE1 2.66Å; H399-E405 IonicContact CD2-OE2 2.65Å; H399-E405 IonicContact CE1-OE2 3.16Å; H399-E405 PolarHBondContact CE1-OE2 2.7Å; H399-E405 VanDerWaalsContact CE1-OE2 3.31Å; H399-E405 IonicContact NE2-OE1 3.87Å; H399-E405 PolarHBondContact NE2-OE1 3.25Å; H399-E405 IonicContact NE2-OE2 3.88Å; H399-E405 PolarHBondContact NE2-OE2 2.98Å; K401-E405 HydrophobicContact CB-CG 4.4Å; K401-E405 WeakPolarHBondContact O-CG 3.39Å; K401-E405 PolarHBondContact O-N 3.18Å; E405-K407 VanDerWaalsContact C-N 3.29Å; E405-K407 PolarHBondContact O-N 3.08Å; E405-Q408 PolarHBondContact O-N 2.71Å; E405-N409 WeakPolarHBondContact O-CB 3.41Å; E405-N409 PolarHBondContact O-N 3.39Å
406N94.2Very high92.6Very high44 Ų4473 Ų7324%0.23538%0.378CS..Hα-helixtrans-60-41.4176.2-169.339.8000111.5Y361 K402 E403 E404 R410Y361-N406 HydrophobicContact CD1-CB 3.92Å; Y361-N406 HydrophobicContact CE1-CB 4.29Å; K402-N406 VanDerWaalsContact O-CB 3.29Å; K402-N406 WeakPolarHBondContact O-CB 3.25Å; K402-N406 PolarHBondContact O-N 2.93Å; E403-N406 PolarHBondContact O-N 3.27Å; E404-N406 PolarHBondContact O-N 2.76Å; N406-R410 WeakPolarHBondContact O-CB 3.39Å; N406-R410 PolarHBondContact O-N 3.35Å
407K95.8Very high93.3Very high130 Ų13071.8 Ų71.857%0.56535%0.35SS*.Hα-helixtrans-65.1-43.7176.8-177.2-175.9175-170.10111.7E403 E404 E405 R410 I411E403-K407 WeakPolarHBondContact O-CB 3.45Å; E403-K407 PolarHBondContact O-N 3.38Å; E404-K407 WeakPolarHBondContact O-CB 3.41Å; E404-K407 PolarHBondContact O-N 3.37Å; E405-K407 VanDerWaalsContact C-N 3.29Å; E405-K407 PolarHBondContact O-N 3.08Å; K407-R410 WeakPolarHBondContact O-CB 3.12Å; K407-R410 PolarHBondContact O-N 2.91Å; K407-I411 WeakPolarHBondContact O-CG1 3.47Å; K407-I411 PolarHBondContact O-N 3.1Å; K407-I411 VanDerWaalsContact O-N 3.17Å
408Q95.9Very high93.9Very high102 Ų10271.5 Ų71.548%0.47735%0.349SS..Hα-helixtrans-62-49.1176.3-71.4173.9700111.1E404 E405 R410 I411 L412E404-Q408 VanDerWaalsContact O-CG 3.32Å; E404-Q408 WeakPolarHBondContact O-CG 3.37Å; E404-Q408 PolarHBondContact O-N 3.06Å; E404-Q408 PolarHBondContact OE1-NE2 3.47Å; E405-Q408 PolarHBondContact O-N 2.71Å; Q408-R410 VanDerWaalsContact C-N 3.28Å; Q408-R410 PolarHBondContact O-N 3.33Å; Q408-I411 WeakPolarHBondContact O-CB 3.45Å; Q408-I411 PolarHBondContact O-N 2.72Å; Q408-I411 VanDerWaalsContact O-N 3.07Å; Q408-L412 PolarHBondContact O-N 3.45Å
409N97.4Very high94.4Very high11 Ų1171.7 Ų71.76%0.05936%0.361CS..Hα-helixtrans-64.2-31.9177.7-79.3-25.5000112.4F358 K359 Y361 G362 F363 E405 I411 L412 F413F358-N409 HydrophobicContact CD1-CB 4.16Å; K359-N409 PolarHBondContact O-ND2 3.02Å; Y361-N409 PolarHBondContact O-ND2 2.78Å; G362-N409 WeakPolarHBondContact O-CB 3.47Å; G362-N409 PolarHBondContact O-ND2 3.12Å; G362-N409 VanDerWaalsContact O-ND2 3.1Å; F363-N409 HydrophobicContact CB-CB 4.19Å; F363-N409 HydrophobicContact CD2-CB 4.26Å; E405-N409 WeakPolarHBondContact O-CB 3.41Å; E405-N409 PolarHBondContact O-N 3.39Å; N409-I411 VanDerWaalsContact C-N 3.34Å; N409-I411 PolarHBondContact O-N 3.25Å; N409-L412 PolarHBondContact O-N 2.84Å; N409-F413 WeakPolarHBondContact O-CB 3.05Å; N409-F413 PolarHBondContact O-N 2.03Å
410R96.6Very high95Very high144 Ų14471.1 Ų71.154%0.54336%0.358SS..Hα-helixtrans-63.7-38.2171.9-171.7173.7-178.1-172.90.7112.7F363 N406 K407 Q408 R414F363-R410 HydrophobicContact CD2-CB 3.99Å; F363-R410 HydrophobicContact CE1-CG 4.29Å; F363-R410 HydrophobicContact CE2-CB 3.44Å; F363-R410 VanDerWaalsContact CE2-CB 3.44Å; F363-R410 HydrophobicContact CE2-CG 3.82Å; F363-R410 HydrophobicContact CZ-CB 3.79Å; F363-R410 HydrophobicContact CZ-CG 3.6Å; N406-R410 WeakPolarHBondContact O-CB 3.39Å; N406-R410 PolarHBondContact O-N 3.35Å; K407-R410 WeakPolarHBondContact O-CB 3.12Å; K407-R410 PolarHBondContact O-N 2.91Å; Q408-R410 VanDerWaalsContact C-N 3.28Å; Q408-R410 PolarHBondContact O-N 3.33Å; R410-R414 PolarHBondContact O-N 3.3Å
411I97.4Very high95.5Very high90 Ų9069.8 Ų69.846%0.46233%0.331SS..Hα-helixtrans-69.2-47.7176.3-66.4166.7000109.4K407 Q408 N409 F413 R414K407-I411 WeakPolarHBondContact O-CG1 3.47Å; K407-I411 PolarHBondContact O-N 3.1Å; K407-I411 VanDerWaalsContact O-N 3.17Å; Q408-I411 WeakPolarHBondContact O-CB 3.45Å; Q408-I411 PolarHBondContact O-N 2.72Å; Q408-I411 VanDerWaalsContact O-N 3.07Å; N409-I411 VanDerWaalsContact C-N 3.34Å; N409-I411 PolarHBondContact O-N 3.25Å; I411-F413 PolarHBondContact O-N 3.35Å; I411-R414 WeakPolarHBondContact O-CB 3.07Å; I411-R414 PolarHBondContact O-N 3.01Å
412L97.7Very high95.8Very high50 Ų5070.3 Ų70.326%0.26234%0.344SS..Hα-helixtrans-55.5-41.3175.5-179.961.9000111.7N357 F358 Q408 N409 R414 S415 F416N357-L412 HydrophobicContact CB-CD1 4.25Å; N357-L412 HydrophobicContact CB-CD2 3.73Å; N357-L412 WeakPolarHBondContact O-CD2 3.43Å; F358-L412 HydrophobicContact CD1-CD2 3.73Å; F358-L412 HydrophobicContact CD1-CG 4.28Å; F358-L412 HydrophobicContact CD2-CD2 4.03Å; F358-L412 HydrophobicContact CE1-CB 4.11Å; F358-L412 HydrophobicContact CE1-CD2 3.83Å; F358-L412 HydrophobicContact CE1-CG 3.85Å; F358-L412 HydrophobicContact CE2-CD2 4.13Å; F358-L412 HydrophobicContact CE2-CG 4.21Å; F358-L412 HydrophobicContact CG-CD2 3.84Å; F358-L412 HydrophobicContact CZ-CB 4.43Å; F358-L412 HydrophobicContact CZ-CD2 4.03Å; F358-L412 HydrophobicContact CZ-CG 3.81Å; Q408-L412 PolarHBondContact O-N 3.45Å; N409-L412 PolarHBondContact O-N 2.84Å; L412-R414 VanDerWaalsContact C-N 3.25Å; L412-R414 PolarHBondContact O-N 2.89Å; L412-S415 PolarHBondContact O-N 3.34Å; L412-S415 VanDerWaalsContact O-N 3.15Å; L412-F416 WeakPolarHBondContact O-CB 3.4Å; L412-F416 PolarHBondContact O-N 3.11Å
413F97.9Very high96.1Very high8 Ų875.2 Ų75.24%0.03537%0.365CS..Hα-helixtrans-58.9-34.4177.8-173.9-125.5000113.1F358 F363 I366 C370 N409 I411 F416 K417F358-F413 HydrophobicContact CE1-CB 4.03Å; F358-F413 HydrophobicContact CZ-CB 4.22Å; F358-F413 HydrophobicContact CZ-CD2 4.25Å; F363-F413 HydrophobicContact CB-CB 4.21Å; F363-F413 HydrophobicContact CB-CG 4.48Å; F363-F413 HydrophobicContact CD1-CB 3.81Å; F363-F413 AromaticContact CD1-CD1 3.48Å; F363-F413 HydrophobicContact CD1-CD1 3.48Å; F363-F413 VanDerWaalsContact CD1-CD1 3.48Å; F363-F413 HydrophobicContact CD1-CD2 4.43Å; F363-F413 HydrophobicContact CD1-CE1 4.12Å; F363-F413 AromaticContact CD1-CG 3.66Å; F363-F413 HydrophobicContact CD1-CG 3.66Å; F363-F413 AromaticContact CE1-CD1 3.75Å; F363-F413 HydrophobicContact CE1-CD1 3.75Å; F363-F413 HydrophobicContact CE1-CE1 4.31Å; F363-F413 HydrophobicContact CE1-CG 4.35Å; F363-F413 HydrophobicContact CG-CB 4.14Å; F363-F413 HydrophobicContact CG-CG 4.39Å; I366-F413 HydrophobicContact CG2-CE1 4.19Å; I366-F413 HydrophobicContact CG2-CE2 4.27Å; I366-F413 HydrophobicContact CG2-CZ 3.81Å; C370-F413 HydrophobicContact CB-CE2 4.11Å; C370-F413 HydrophobicContact CB-CZ 4.21Å; N409-F413 WeakPolarHBondContact O-CB 3.05Å; N409-F413 PolarHBondContact O-N 2.03Å; I411-F413 PolarHBondContact O-N 3.35Å; F413-F416 AromaticContact CD2-CD1 3.98Å; F413-F416 HydrophobicContact CD2-CD1 3.98Å; F413-F416 HydrophobicContact CE2-CD1 4.06Å; F413-F416 WeakPolarHBondContact O-CB 3.39Å; F413-F416 PolarHBondContact O-N 3.11Å; F413-K417 HydrophobicContact CD1-CD 4.49Å; F413-K417 HydrophobicContact CD2-CG 4.4Å; F413-K417 HydrophobicContact CE1-CD 3.93Å; F413-K417 HydrophobicContact CE1-CG 4.38Å; F413-K417 HydrophobicContact CE2-CD 4.36Å; F413-K417 HydrophobicContact CE2-CG 4.03Å; F413-K417 HydrophobicContact CZ-CD 3.86Å; F413-K417 HydrophobicContact CZ-CG 4.03Å; F413-K417 WeakPolarHBondContact O-CG 3.36Å; F413-K417 PolarHBondContact O-N 3.15Å
414R96.6Very high96.4Very high149 Ų14972 Ų7256%0.56235%0.348SS*.Hα-helixtrans-63.9-47.4175.8-64.7173.8178.7157.6-1.2111.4R410 I411 L412 F416 K417 E418R410-R414 PolarHBondContact O-N 3.3Å; I411-R414 WeakPolarHBondContact O-CB 3.07Å; I411-R414 PolarHBondContact O-N 3.01Å; L412-R414 VanDerWaalsContact C-N 3.25Å; L412-R414 PolarHBondContact O-N 2.89Å; R414-F416 VanDerWaalsContact C-N 3.33Å; R414-K417 PolarHBondContact O-N 3.14Å; R414-E418 PolarHBondContact O-N 3.22Å
415S96.8Very high96.6Very high80 Ų8072.4 Ų72.456%0.55936%0.359SS*.Hα-helixtrans-65.3-38.3177.1-56.80000111.8L412 K417 E418 G419L412-S415 PolarHBondContact O-N 3.34Å; L412-S415 VanDerWaalsContact O-N 3.15Å; S415-K417 PolarHBondContact O-N 2.91Å; S415-E418 PolarHBondContact O-N 3.02Å; S415-G419 PolarHBondContact O-N 3.23Å
416F97.9Very high96.8Very high18 Ų1876.8 Ų76.88%0.07939%0.392CS..Hα-helixtrans-56.9-46.6175.2177.3-101.5000111.9D355 F358 S367 E371 L412 F413 R414 E418 G419 L420D355-F416 HydrophobicContact CB-CD2 4.19Å; D355-F416 HydrophobicContact CB-CE2 3.74Å; D355-F416 WeakPolarHBondContact OD2-CD2 3.48Å; D355-F416 WeakPolarHBondContact OD2-CE2 3.34Å; F358-F416 HydrophobicContact CE2-CB 4.16Å; F358-F416 AromaticContact CE2-CD2 3.92Å; F358-F416 HydrophobicContact CE2-CD2 3.92Å; F358-F416 HydrophobicContact CE2-CE2 4.45Å; F358-F416 AromaticContact CE2-CG 3.96Å; F358-F416 HydrophobicContact CE2-CG 3.96Å; F358-F416 HydrophobicContact CZ-CB 3.91Å; F358-F416 HydrophobicContact CZ-CD2 4.47Å; F358-F416 HydrophobicContact CZ-CG 4.06Å; S367-F416 WeakPolarHBondContact O-CE1 3.33Å; E371-F416 HydrophobicContact CB-CE1 4.38Å; E371-F416 HydrophobicContact CB-CZ 3.96Å; L412-F416 WeakPolarHBondContact O-CB 3.4Å; L412-F416 PolarHBondContact O-N 3.11Å; F413-F416 AromaticContact CD2-CD1 3.98Å; F413-F416 HydrophobicContact CD2-CD1 3.98Å; F413-F416 HydrophobicContact CE2-CD1 4.06Å; F413-F416 WeakPolarHBondContact O-CB 3.39Å; F413-F416 PolarHBondContact O-N 3.11Å; R414-F416 VanDerWaalsContact C-N 3.33Å; F416-E418 VanDerWaalsContact C-N 3.3Å; F416-E418 PolarHBondContact O-N 2.83Å; F416-G419 CarbonylContact O-C 3.55Å; F416-G419 WeakPolarHBondContact O-CA 3.29Å; F416-G419 PolarHBondContact O-N 3.15Å; F416-L420 HydrophobicContact CD1-CD1 4.2Å; F416-L420 HydrophobicContact CD1-CG 4.26Å; F416-L420 HydrophobicContact CE1-CD1 3.66Å; F416-L420 HydrophobicContact CE1-CD2 4.12Å; F416-L420 HydrophobicContact CE1-CG 3.92Å; F416-L420 HydrophobicContact CE2-CD2 4.26Å; F416-L420 HydrophobicContact CZ-CD1 4.21Å; F416-L420 HydrophobicContact CZ-CD2 3.84Å; F416-L420 HydrophobicContact CZ-CG 4.14Å; F416-L420 WeakPolarHBondContact O-CG 3.34Å; F416-L420 PolarHBondContact O-N 3.13Å
417K97Very high96.9Very high51 Ų5175.6 Ų75.622%0.22239%0.388CS..Hα-helixtrans-60.9-36.6177.8-68.8-163.7-56.6169.70113.3F413 R414 S415 L420 C431F413-K417 HydrophobicContact CD1-CD 4.49Å; F413-K417 HydrophobicContact CD2-CG 4.4Å; F413-K417 HydrophobicContact CE1-CD 3.93Å; F413-K417 HydrophobicContact CE1-CG 4.38Å; F413-K417 HydrophobicContact CE2-CD 4.36Å; F413-K417 HydrophobicContact CE2-CG 4.03Å; F413-K417 HydrophobicContact CZ-CD 3.86Å; F413-K417 HydrophobicContact CZ-CG 4.03Å; F413-K417 WeakPolarHBondContact O-CG 3.36Å; F413-K417 PolarHBondContact O-N 3.15Å; R414-K417 PolarHBondContact O-N 3.14Å; S415-K417 PolarHBondContact O-N 2.91Å; K417-L420 PolarHBondContact O-N 3.47Å; K417-C431 HydrophobicContact CD-CB 3.48Å; K417-C431 VanDerWaalsContact CD-CB 3.48Å; K417-C431 VanDerWaalsContact CD-O 3.31Å; K417-C431 WeakPolarHBondContact CD-O 3.44Å; K417-C431 HydrophobicContact CG-CB 3.96Å; K417-C431 PolarHBondContact NZ-O 3.39Å
418E96Very high96.9Very high107 Ų10775.8 Ų75.850%0.540%0.399SS..Hα-helixtrans-68.5-40.5173.1-63.6-54.2131.400111.5R414 S415 F416 L420 K421R414-E418 PolarHBondContact O-N 3.22Å; S415-E418 PolarHBondContact O-N 3.02Å; F416-E418 VanDerWaalsContact C-N 3.3Å; F416-E418 PolarHBondContact O-N 2.83Å; E418-L420 VanDerWaalsContact C-N 3.28Å; E418-L420 PolarHBondContact O-N 2.84Å; E418-K421 WeakPolarHBondContact O-CB 3.47Å; E418-K421 PolarHBondContact O-N 3.44Å; E418-K421 VanDerWaalsContact O-N 3.14Å; E418-K421 IonicContact OE1-NZ 3.73Å; E418-K421 PolarHBondContact OE1-NZ 3.11Å; E418-K421 WeakPolarHBondContact OE2-CE 3.32Å; E418-K421 IonicContact OE2-NZ 3.7Å; E418-K421 PolarHBondContact OE2-NZ 2.66Å
419G97.1Very high96.9Very high38 Ų3874.8 Ų74.839%0.39239%0.391SS..Hα-helixtrans-58-38.3173.300000113S415 F416 K421 T422 K423S415-G419 PolarHBondContact O-N 3.23Å; F416-G419 CarbonylContact O-C 3.55Å; F416-G419 WeakPolarHBondContact O-CA 3.29Å; F416-G419 PolarHBondContact O-N 3.15Å; G419-K421 VanDerWaalsContact C-N 3.28Å; G419-K421 PolarHBondContact O-N 2.81Å; G419-T422 PolarHBondContact O-N 2.79Å; G419-T422 VanDerWaalsContact O-N 3.08Å; G419-K423 PolarHBondContact O-N 2.65Å
420L97.9Very high96.7Very high6 Ų679.3 Ų79.33%0.03141%0.408CS..Hα-helixtrans-60.5-33.8176.2-70.2-170.5000113.5C370 E371 V374 F416 K417 E418 T422 K423 Y424C370-L420 WeakPolarHBondContact SG-CD1 3.32Å; E371-L420 HydrophobicContact CB-CD1 4.28Å; E371-L420 HydrophobicContact CB-CD2 4.07Å; E371-L420 HydrophobicContact CG-CD2 3.89Å; V374-L420 HydrophobicContact CB-CD1 4.26Å; V374-L420 HydrophobicContact CG1-CB 4.35Å; V374-L420 HydrophobicContact CG2-CD1 3.93Å; F416-L420 HydrophobicContact CD1-CD1 4.2Å; F416-L420 HydrophobicContact CD1-CG 4.26Å; F416-L420 HydrophobicContact CE1-CD1 3.66Å; F416-L420 HydrophobicContact CE1-CD2 4.12Å; F416-L420 HydrophobicContact CE1-CG 3.92Å; F416-L420 HydrophobicContact CE2-CD2 4.26Å; F416-L420 HydrophobicContact CZ-CD1 4.21Å; F416-L420 HydrophobicContact CZ-CD2 3.84Å; F416-L420 HydrophobicContact CZ-CG 4.14Å; F416-L420 WeakPolarHBondContact O-CG 3.34Å; F416-L420 PolarHBondContact O-N 3.13Å; K417-L420 PolarHBondContact O-N 3.47Å; E418-L420 VanDerWaalsContact C-N 3.28Å; E418-L420 PolarHBondContact O-N 2.84Å; L420-T422 VanDerWaalsContact C-N 3.26Å; L420-T422 PolarHBondContact O-N 3.16Å; L420-K423 PolarHBondContact O-N 2.97Å; L420-Y424 HydrophobicContact CD2-CD2 4.1Å; L420-Y424 HydrophobicContact CD2-CE2 3.83Å; L420-Y424 PolarHBondContact O-N 3.48Å
421K96.3Very high96.3Very high82 Ų8274.4 Ų74.436%0.35740%0.395SS..Hα-helixtrans-64.1-35.1176-61.2174.5-173166.60111.7E418 G419 P425E418-K421 WeakPolarHBondContact O-CB 3.47Å; E418-K421 PolarHBondContact O-N 3.44Å; E418-K421 VanDerWaalsContact O-N 3.14Å; E418-K421 IonicContact OE1-NZ 3.73Å; E418-K421 PolarHBondContact OE1-NZ 3.11Å; E418-K421 WeakPolarHBondContact OE2-CE 3.32Å; E418-K421 IonicContact OE2-NZ 3.7Å; E418-K421 PolarHBondContact OE2-NZ 2.66Å; G419-K421 VanDerWaalsContact C-N 3.28Å; G419-K421 PolarHBondContact O-N 2.81Å; K421-P425 WeakPolarHBondContact O-CA 3.39Å
422T95.9Very high96.2Very high118 Ų11873.6 Ų73.672%0.72439%0.392SS*.Hα-helixtrans-78.8-39.8177.4-54.20000111.4G419 L420 Y424 P425G419-T422 PolarHBondContact O-N 2.79Å; G419-T422 VanDerWaalsContact O-N 3.08Å; L420-T422 VanDerWaalsContact C-N 3.26Å; L420-T422 PolarHBondContact O-N 3.16Å; T422-Y424 VanDerWaalsContact C-N 3.35Å; T422-P425 WeakPolarHBondContact O-CD 3.29Å
423K97.3Very high96.2Very high120 Ų12074.8 Ų74.852%0.52240%0.398SS..Hα-helixtrans-67.3-34.5178.8-171174.1-179.9-178.70112.5E371 G419 L420 P425E371-K423 VanDerWaalsContact OE1-CE 3.26Å; E371-K423 WeakPolarHBondContact OE1-CE 3.27Å; E371-K423 IonicContact OE1-NZ 2.75Å; E371-K423 PolarHBondContact OE1-NZ 3.36Å; E371-K423 IonicContact OE2-NZ 3.22Å; G419-K423 PolarHBondContact O-N 2.65Å; L420-K423 PolarHBondContact O-N 2.97Å; K423-P425 WeakPolarHBondContact O-CD 3.46Å
424Y97.7Very high96.1Very high48 Ų4878.6 Ų78.619%0.18842%0.419CS..  trans-125.666.5-178.5-57.2-80000111.5E371 V374 A375 L420 T422 S426 S427E371-Y424 HydrophobicContact CG-CE2 3.91Å; E371-Y424 WeakPolarHBondContact OE1-CE2 3.39Å; E371-Y424 PolarHBondContact OE1-OH 3.28Å; V374-Y424 HydrophobicContact CG1-CD2 3.76Å; V374-Y424 HydrophobicContact CG1-CG 3.98Å; A375-Y424 HydrophobicContact CB-CD1 4.34Å; A375-Y424 HydrophobicContact CB-CE1 3.71Å; L420-Y424 HydrophobicContact CD2-CD2 4.1Å; L420-Y424 HydrophobicContact CD2-CE2 3.83Å; L420-Y424 PolarHBondContact O-N 3.48Å; T422-Y424 VanDerWaalsContact C-N 3.35Å; Y424-S426 VanDerWaalsContact C-N 3.26Å; Y424-S426 PolarHBondContact O-N 3.32Å; Y424-S427 WeakPolarHBondContact O-CB 3.35Å; Y424-S427 PolarHBondContact O-N 3.13Å; Y424-S427 VanDerWaalsContact O-N 3.09Å
425P96.5Very high96Very high102 Ų10274.4 Ų74.466%0.66241%0.41SS*.THydrogen-bonded Turntrans-66.5-27.9-171.827.9-34.9000113K421 T422 K423K421-P425 WeakPolarHBondContact O-CA 3.39Å; T422-P425 WeakPolarHBondContact O-CD 3.29Å; K423-P425 WeakPolarHBondContact O-CD 3.46Å
426S96.6Very high96Very high115 Ų11574.1 Ų74.180%0.80440%0.401SS*.THydrogen-bonded Turntrans-83.1-12177.655.90000113.9Y424Y424-S426 VanDerWaalsContact C-N 3.26Å; Y424-S426 PolarHBondContact O-N 3.32Å
427S96.8Very high95.8Very high19 Ų1977.8 Ų77.813%0.13342%0.422CS..  trans-72.5137.7180-176.50000110.2V374 Y424 R429 R430V374-S427 VanDerWaalsContact O-CB 3.23Å; V374-S427 WeakPolarHBondContact O-CB 3.39Å; V374-S427 PolarHBondContact O-OG 3.49Å; Y424-S427 WeakPolarHBondContact O-CB 3.35Å; Y424-S427 PolarHBondContact O-N 3.13Å; Y424-S427 VanDerWaalsContact O-N 3.09Å; S427-R429 PolarHBondContact OG-N 2.98Å; S427-R430 VanDerWaalsContact O-CZ 3.31Å; S427-R430 PolarHBondContact O-NH1 3.28Å; S427-R430 PolarHBondContact O-NH2 3.3Å
428T95.6Very high95.8Very high133 Ų13379.7 Ų79.782%0.81644%0.437SS*.  trans-92-10.4169.9560000112.5
429R96.4Very high95.7Very high81 Ų8177.6 Ų77.631%0.30643%0.432SS..  trans-84.4142.5-177.3-68.3178.7-176-176.810.3111.1H373 G376 F377 S427H373-R429 WeakPolarHBondContact O-CD 3.37Å; H373-R429 PolarHBondContact O-NH1 3.48Å; G376-R429 VanDerWaalsContact CA-NH1 3.32Å; G376-R429 PolarHBondContact O-NH1 2.92Å; G376-R429 PolarHBondContact O-NH2 3Å; F377-R429 PolarHBondContact O-NH1 3.42Å; S427-R429 PolarHBondContact OG-N 2.98Å
430R93.2Very high95.6Very high106 Ų10680.9 Ų80.940%0.444%0.435SS..  trans-138151.1-174.6-63.6-67.3177.2-91.1-1.9111.4S427S427-R430 VanDerWaalsContact O-CZ 3.31Å; S427-R430 PolarHBondContact O-NH1 3.28Å; S427-R430 PolarHBondContact O-NH2 3.3Å
431C87.4Confident95.4Very high41 Ų4187.7 Ų87.728%0.27747%0.472SS..  trans-102.90158.3-44.40000108.3W337 C370 K417W337-C431 HydrophobicContact CH2-CB 3.58Å; W337-C431 HydrophobicContact CZ2-CB 4.26Å; W337-C431 HydrophobicContact CZ3-CB 4.21Å; C370-C431 VanDerWaalsContact C-SG 3.53Å; C370-C431 WeakPolarHBondContact CA-SG 3.37Å; C370-C431 HydrophobicContact CB-CB 4.06Å; C370-C431 WeakPolarHBondContact CB-SG 3.16Å; C370-C431 PolarHBondContact O-SG 3.41Å; C370-C431 VanDerWaalsContact O-SG 3.35Å; C370-C431 WeakPolarHBondContact SG-CB 3.22Å; C370-C431 CovalentContact SG-SG 2.01Å; C370-C431 PolarHBondContact SG-SG 3.37Å; K417-C431 HydrophobicContact CD-CB 3.48Å; K417-C431 VanDerWaalsContact CD-CB 3.48Å; K417-C431 VanDerWaalsContact CD-O 3.31Å; K417-C431 WeakPolarHBondContact CD-O 3.44Å; K417-C431 HydrophobicContact CG-CB 3.96Å; K417-C431 PolarHBondContact NZ-O 3.39Å

Retrieved 431 of 431 residues in 293.3 ms (Link to these results)

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