A0A087Y564_POEFO Loading...

CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

AlphaFold DB , UniProt , Accession A0A087Y564, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 334 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
1M52.3Low60.9Low196 Ų196146.1 Ų146.197%0.96668%0.675SS**  0121.50-142.3162.375.700108.3K5M1-K5 HydrophobicContact CG-CB 4.43Å; M1-K5 HydrophobicContact CG-CD 4.1Å
2S54.8Low62Low69 Ų69145.3 Ų145.348%0.48367%0.668SS.*  trans-58.8146.5-166.768.20000113.4V4 K5 R6S2-V4 PolarHBondContact O-N 2.84Å; S2-K5 PolarHBondContact O-N 2.89Å; S2-R6 PolarHBondContact O-N 2.83Å
3L56Low63Low158 Ų158137.3 Ų137.383%0.82764%0.643SS**Hα-helixtrans-48-30.3176.8-95148.4000113.1R7L3-R7 PolarHBondContact O-N 3.02Å
4V57.3Low64.1Low94 Ų94136 Ų13657%0.5764%0.642SS**Hα-helixtrans-69.7-39.8177.4-178.10000112.7S2 R7 K8S2-V4 PolarHBondContact O-N 2.84Å; V4-R7 PolarHBondContact O-N 2.99Å; V4-K8 WeakPolarHBondContact O-CG 3.44Å; V4-K8 PolarHBondContact O-N 3.44Å
5K56.7Low65Low135 Ų135134.1 Ų134.159%0.58764%0.636SS**Hα-helixtrans-67.8-35.6176.9-84.6-174.7174.4-1770112M1 S2 F9M1-K5 HydrophobicContact CG-CB 4.43Å; M1-K5 HydrophobicContact CG-CD 4.1Å; S2-K5 PolarHBondContact O-N 2.89Å; K5-F9 WeakPolarHBondContact O-CB 3.46Å; K5-F9 PolarHBondContact O-N 3.46Å
6R58.9Low65.7Low180 Ų180129.8 Ų129.868%0.67962%0.621SS**Hα-helixtrans-70-34.6178.7-144.4176.5-169.7-174.72.7112.3S2 R10S2-R6 PolarHBondContact O-N 2.83Å; R6-R10 WeakPolarHBondContact O-CB 2.98Å; R6-R10 PolarHBondContact O-N 2.78Å; R6-R10 VanDerWaalsContact O-N 3.1Å
7R59.7Low66.5Low202 Ų202126.9 Ų126.976%0.76262%0.617SS**Hα-helixtrans-70.9-42.6176.9-143.9174.9-174.2178.20.9111.7L3 V4 R10 T11L3-R7 PolarHBondContact O-N 3.02Å; V4-R7 PolarHBondContact O-N 2.99Å; R7-R10 PolarHBondContact O-N 2.94Å; R7-T11 PolarHBondContact O-N 3.31Å; R7-T11 PolarHBondContact O-OG1 3.02Å
8K63Low67.1Low150 Ų150124.3 Ų124.365%0.65261%0.61SS**Hα-helixtrans-64.9-39.8174.5-71.4-174.1177.4-171.20112.9V4 T11 F12V4-K8 WeakPolarHBondContact O-CG 3.44Å; V4-K8 PolarHBondContact O-N 3.44Å; K8-T11 WeakPolarHBondContact CA-OG1 3.03Å; K8-T11 PolarHBondContact O-N 3.24Å; K8-T11 PolarHBondContact O-OG1 3.41Å; K8-F12 WeakPolarHBondContact O-CB 3.41Å; K8-F12 PolarHBondContact O-N 2.78Å
9F70.8Confident67.6Low151 Ų151122.5 Ų122.566%0.66260%0.602SS**Hα-helixtrans-67.6-38.8176.3-163.6-94.1000112.1K5 F12 A13K5-F9 WeakPolarHBondContact O-CB 3.46Å; K5-F9 PolarHBondContact O-N 3.46Å; F9-F12 PolarHBondContact O-N 2.95Å; F9-A13 WeakPolarHBondContact O-CB 3.4Å; F9-A13 PolarHBondContact O-N 2.95Å
10R69.6Low68Low185 Ų185120 Ų12070%0.69859%0.594SS**Hα-helixtrans-65.2-40.4173.2-83.7-179.1163.2-179.8-5.8112.8R6 R7 L14R6-R10 WeakPolarHBondContact O-CB 2.98Å; R6-R10 PolarHBondContact O-N 2.78Å; R6-R10 VanDerWaalsContact O-N 3.1Å; R7-R10 PolarHBondContact O-N 2.94Å; R10-L14 VanDerWaalsContact O-CB 3.31Å; R10-L14 WeakPolarHBondContact O-CB 3.44Å; R10-L14 PolarHBondContact O-N 3.17Å
11T70.6Confident68.3Low87 Ų87120.6 Ų120.653%0.53459%0.594SS.*Hα-helixtrans-67-41.81768.80000111.2R7 K8 L14 L15R7-T11 PolarHBondContact O-N 3.31Å; R7-T11 PolarHBondContact O-OG1 3.02Å; K8-T11 WeakPolarHBondContact CA-OG1 3.03Å; K8-T11 PolarHBondContact O-N 3.24Å; K8-T11 PolarHBondContact O-OG1 3.41Å; T11-L14 PolarHBondContact O-N 3.09Å; T11-L15 WeakPolarHBondContact O-CB 3.4Å; T11-L15 PolarHBondContact O-N 3.45Å
12F74.1Confident69.3Low136 Ų136114.9 Ų114.960%0.59657%0.57SS**Hα-helixtrans-63.3-46.2176.6-174-98.7000112.3K8 F9 L14 L15 V16K8-F12 WeakPolarHBondContact O-CB 3.41Å; K8-F12 PolarHBondContact O-N 2.78Å; F9-F12 PolarHBondContact O-N 2.95Å; F12-L14 VanDerWaalsContact C-N 3.31Å; F12-L14 PolarHBondContact O-N 2.8Å; F12-L15 PolarHBondContact O-N 3.31Å; F12-V16 HydrophobicContact CD1-CG2 4.26Å; F12-V16 HydrophobicContact CE1-CG2 3.92Å; F12-V16 HydrophobicContact CZ-CG2 4.11Å; F12-V16 WeakPolarHBondContact O-CG2 3.39Å; F12-V16 PolarHBondContact O-N 2.73Å
13A75.9Confident69.8Low42 Ų42115.4 Ų115.435%0.34757%0.57SS.*Hα-helixtrans-61.5-39176.500000112.3F9 V16 C17F9-A13 WeakPolarHBondContact O-CB 3.4Å; F9-A13 PolarHBondContact O-N 2.95Å; A13-V16 PolarHBondContact O-N 3.42Å; A13-C17 WeakPolarHBondContact O-CB 3.46Å; A13-C17 PolarHBondContact O-N 3.49Å; A13-C17 PolarHBondContact O-SG 2.92Å; A13-C17 VanDerWaalsContact O-SG 3.42Å
14L77.5Confident70.4Confident119 Ų119112.7 Ų112.762%0.62356%0.556SS**Hα-helixtrans-69.1-37.2178.1-149.9139.5000111.5R10 T11 F12 C17 V18R10-L14 VanDerWaalsContact O-CB 3.31Å; R10-L14 WeakPolarHBondContact O-CB 3.44Å; R10-L14 PolarHBondContact O-N 3.17Å; T11-L14 PolarHBondContact O-N 3.09Å; F12-L14 VanDerWaalsContact C-N 3.31Å; F12-L14 PolarHBondContact O-N 2.8Å; L14-C17 PolarHBondContact O-N 3.27Å; L14-V18 HydrophobicContact CD2-CG2 4.29Å; L14-V18 VanDerWaalsContact O-CG2 3.27Å; L14-V18 WeakPolarHBondContact O-CG2 3.37Å; L14-V18 PolarHBondContact O-N 3.46Å
15L77.4Confident70.6Confident107 Ų107112.1 Ų112.156%0.5655%0.549SS*.Hα-helixtrans-66.2-41.6174.8-129.3139.8000111.7T11 F12 V18 I19T11-L15 WeakPolarHBondContact O-CB 3.4Å; T11-L15 PolarHBondContact O-N 3.45Å; F12-L15 PolarHBondContact O-N 3.31Å; L15-V18 PolarHBondContact O-N 2.62Å; L15-I19 HydrophobicContact CD2-CD1 3.81Å; L15-I19 HydrophobicContact CD2-CG1 4.47Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.29Å; L15-I19 PolarHBondContact O-N 3.03Å
16V76.8Confident70.9Confident65 Ų65111.9 Ų111.939%0.39455%0.548SS..Hα-helixtrans-64.5-42.7174.9173.50000110.9F12 A13 I19 T20F12-V16 HydrophobicContact CD1-CG2 4.26Å; F12-V16 HydrophobicContact CE1-CG2 3.92Å; F12-V16 HydrophobicContact CZ-CG2 4.11Å; F12-V16 WeakPolarHBondContact O-CG2 3.39Å; F12-V16 PolarHBondContact O-N 2.73Å; A13-V16 PolarHBondContact O-N 3.42Å; V16-I19 PolarHBondContact O-N 3.48Å; V16-T20 HydrophobicContact CG1-CG2 4.4Å; V16-T20 WeakPolarHBondContact O-CG2 3.46Å; V16-T20 PolarHBondContact O-N 3.42Å; V16-T20 PolarHBondContact O-OG1 2.87Å
17C78.4Confident70.8Confident81 Ų81106.7 Ų106.755%0.54754%0.539SS..Hα-helixtrans-63.8-38.1175.3-76.70000113.1A13 L14 T20 F21A13-C17 WeakPolarHBondContact O-CB 3.46Å; A13-C17 PolarHBondContact O-N 3.49Å; A13-C17 PolarHBondContact O-SG 2.92Å; A13-C17 VanDerWaalsContact O-SG 3.42Å; L14-C17 PolarHBondContact O-N 3.27Å; C17-T20 WeakPolarHBondContact CA-OG1 3.31Å; C17-T20 PolarHBondContact O-OG1 2.61Å; C17-F21 WeakPolarHBondContact O-CB 3.19Å; C17-F21 PolarHBondContact O-N 3.24Å
18V78.4Confident70.8Confident80 Ų80105.1 Ų105.149%0.48554%0.538SS..Hα-helixtrans-67.6-45.1175.7170.40000110.3L14 L15 F21 T22L14-V18 HydrophobicContact CD2-CG2 4.29Å; L14-V18 VanDerWaalsContact O-CG2 3.27Å; L14-V18 WeakPolarHBondContact O-CG2 3.37Å; L14-V18 PolarHBondContact O-N 3.46Å; L15-V18 PolarHBondContact O-N 2.62Å; V18-F21 PolarHBondContact O-N 2.87Å; V18-T22 HydrophobicContact CG1-CG2 4.28Å; V18-T22 WeakPolarHBondContact O-CB 3.41Å; V18-T22 VanDerWaalsContact O-CG2 3.25Å; V18-T22 WeakPolarHBondContact O-CG2 3.25Å; V18-T22 PolarHBondContact O-N 3.31Å; V18-T22 PolarHBondContact O-OG1 3.42Å
19I76.4Confident70.5Confident90 Ų90102.6 Ų102.646%0.46254%0.536SS..Hα-helixtrans-61.1-49.9177.3-68.6166.9000110.2L15 V16 F21 T22 T23L15-I19 HydrophobicContact CD2-CD1 3.81Å; L15-I19 HydrophobicContact CD2-CG1 4.47Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.29Å; L15-I19 PolarHBondContact O-N 3.03Å; V16-I19 PolarHBondContact O-N 3.48Å; I19-F21 VanDerWaalsContact C-N 3.35Å; I19-F21 PolarHBondContact O-N 2.79Å; I19-T22 WeakPolarHBondContact CA-OG1 3.22Å; I19-T22 PolarHBondContact O-N 3.42Å; I19-T22 PolarHBondContact O-OG1 3.26Å; I19-T23 HydrophobicContact CG2-CG2 4.43Å; I19-T23 WeakPolarHBondContact O-CG2 3.29Å; I19-T23 PolarHBondContact O-N 3.48Å; I19-T23 PolarHBondContact O-OG1 2.96Å
20T74.9Confident69.8Low73 Ų7399.4 Ų99.445%0.44852%0.522SS..Hα-helixtrans-62.9-41.4-179.851.80000112V16 C17 T23 L24V16-T20 HydrophobicContact CG1-CG2 4.4Å; V16-T20 WeakPolarHBondContact O-CG2 3.46Å; V16-T20 PolarHBondContact O-N 3.42Å; V16-T20 PolarHBondContact O-OG1 2.87Å; C17-T20 WeakPolarHBondContact CA-OG1 3.31Å; C17-T20 PolarHBondContact O-OG1 2.61Å; T20-T23 VanDerWaalsContact CA-OG1 3.3Å; T20-T23 WeakPolarHBondContact CA-OG1 3.46Å; T20-T23 PolarHBondContact O-N 3.06Å; T20-T23 PolarHBondContact O-OG1 2.93Å; T20-L24 VanDerWaalsContact O-CB 3.24Å; T20-L24 WeakPolarHBondContact O-CB 3.46Å; T20-L24 PolarHBondContact O-N 3.3Å
21F75.5Confident68.9Low133 Ų133102 Ų10258%0.58353%0.532SS*.Hα-helixtrans-66.1-39.9176.8-171.2-107.3000112.4C17 V18 I19 L24 L25C17-F21 WeakPolarHBondContact O-CB 3.19Å; C17-F21 PolarHBondContact O-N 3.24Å; V18-F21 PolarHBondContact O-N 2.87Å; I19-F21 VanDerWaalsContact C-N 3.35Å; I19-F21 PolarHBondContact O-N 2.79Å; F21-L24 PolarHBondContact O-N 2.81Å; F21-L25 HydrophobicContact CD1-CD1 3.62Å; F21-L25 HydrophobicContact CE1-CD1 3.26Å; F21-L25 HydrophobicContact CE1-CG 4.19Å; F21-L25 HydrophobicContact CG-CD1 4.44Å; F21-L25 HydrophobicContact CZ-CD1 3.83Å; F21-L25 HydrophobicContact CZ-CG 4.34Å; F21-L25 WeakPolarHBondContact O-CB 3.33Å; F21-L25 PolarHBondContact O-N 2.9Å
22T72Confident67.9Low75 Ų75101.6 Ų101.646%0.4653%0.526SS..Hα-helixtrans-67.2-41.1174.956.80000112.3V18 I19 L24 L25 F26V18-T22 HydrophobicContact CG1-CG2 4.28Å; V18-T22 WeakPolarHBondContact O-CB 3.41Å; V18-T22 VanDerWaalsContact O-CG2 3.25Å; V18-T22 WeakPolarHBondContact O-CG2 3.25Å; V18-T22 PolarHBondContact O-N 3.31Å; V18-T22 PolarHBondContact O-OG1 3.42Å; I19-T22 WeakPolarHBondContact CA-OG1 3.22Å; I19-T22 PolarHBondContact O-N 3.42Å; I19-T22 PolarHBondContact O-OG1 3.26Å; T22-L24 VanDerWaalsContact C-N 3.32Å; T22-L24 PolarHBondContact O-N 3.48Å; T22-L25 PolarHBondContact O-N 3.18Å; T22-F26 VanDerWaalsContact O-CB 3.32Å; T22-F26 WeakPolarHBondContact O-CB 3.4Å; T22-F26 PolarHBondContact O-N 3.11Å
23T66.9Low66.5Low80 Ų8099 Ų9949%0.49152%0.523SS..Hα-helixtrans-66.4-35.6174.650.10000112I19 T20 F26 S27I19-T23 HydrophobicContact CG2-CG2 4.43Å; I19-T23 WeakPolarHBondContact O-CG2 3.29Å; I19-T23 PolarHBondContact O-N 3.48Å; I19-T23 PolarHBondContact O-OG1 2.96Å; T20-T23 VanDerWaalsContact CA-OG1 3.3Å; T20-T23 WeakPolarHBondContact CA-OG1 3.46Å; T20-T23 PolarHBondContact O-N 3.06Å; T20-T23 PolarHBondContact O-OG1 2.93Å; T23-F26 PolarHBondContact O-N 3.45Å; T23-S27 WeakPolarHBondContact O-CB 3.34Å; T23-S27 PolarHBondContact O-N 3.37Å; T23-S27 PolarHBondContact O-OG 3.36Å
24L66.8Low65.2Low102 Ų10299.5 Ų99.553%0.53452%0.524SS..Hα-helixtrans-71.6-42.9178.2-153.4119.1000110.8T20 F21 T22 F26 S27 F28T20-L24 VanDerWaalsContact O-CB 3.24Å; T20-L24 WeakPolarHBondContact O-CB 3.46Å; T20-L24 PolarHBondContact O-N 3.3Å; F21-L24 PolarHBondContact O-N 2.81Å; T22-L24 VanDerWaalsContact C-N 3.32Å; T22-L24 PolarHBondContact O-N 3.48Å; L24-F26 VanDerWaalsContact C-N 3.34Å; L24-F26 PolarHBondContact O-N 3.31Å; L24-S27 WeakPolarHBondContact CA-OG 3.5Å; L24-S27 PolarHBondContact O-N 2.86Å; L24-S27 PolarHBondContact O-OG 3.14Å; L24-F28 HydrophobicContact CD2-CD2 4.34Å; L24-F28 WeakPolarHBondContact O-CB 3.33Å; L24-F28 PolarHBondContact O-N 3.42Å
25L63.2Low63.8Low81 Ų8199.3 Ų99.342%0.42452%0.523SS..Hα-helixtrans-59-42.8169.9-90.7165.1000112F21 T22 S27 F28 T29F21-L25 HydrophobicContact CD1-CD1 3.62Å; F21-L25 HydrophobicContact CE1-CD1 3.26Å; F21-L25 HydrophobicContact CE1-CG 4.19Å; F21-L25 HydrophobicContact CG-CD1 4.44Å; F21-L25 HydrophobicContact CZ-CD1 3.83Å; F21-L25 HydrophobicContact CZ-CG 4.34Å; F21-L25 WeakPolarHBondContact O-CB 3.33Å; F21-L25 PolarHBondContact O-N 2.9Å; T22-L25 PolarHBondContact O-N 3.18Å; L25-S27 VanDerWaalsContact C-N 3.34Å; L25-S27 PolarHBondContact O-N 3.26Å; L25-F28 PolarHBondContact O-N 3.02Å; L25-T29 WeakPolarHBondContact O-CB 3.48Å; L25-T29 WeakPolarHBondContact O-CG2 3.47Å; L25-T29 PolarHBondContact O-N 3.48Å; L25-T29 PolarHBondContact O-OG1 3.36Å
26F61.7Low62.2Low131 Ų131101.7 Ų101.758%0.57553%0.526SS*.Hα-helixtrans-62.6-42175.8-150.8-93.8000110.8T22 T23 L24 F28 F30T22-F26 VanDerWaalsContact O-CB 3.32Å; T22-F26 WeakPolarHBondContact O-CB 3.4Å; T22-F26 PolarHBondContact O-N 3.11Å; T23-F26 PolarHBondContact O-N 3.45Å; L24-F26 VanDerWaalsContact C-N 3.34Å; L24-F26 PolarHBondContact O-N 3.31Å; F26-F28 PolarHBondContact O-N 3.46Å; F26-F30 AromaticContact CD1-CD2 3.94Å; F26-F30 HydrophobicContact CD1-CD2 3.94Å; F26-F30 HydrophobicContact CD2-CD2 4.05Å; F26-F30 AromaticContact CD2-CE2 3.94Å; F26-F30 HydrophobicContact CD2-CE2 3.94Å; F26-F30 AromaticContact CE1-CD2 3.92Å; F26-F30 HydrophobicContact CE1-CD2 3.92Å; F26-F30 HydrophobicContact CE1-CE2 4.28Å; F26-F30 HydrophobicContact CE1-CG 4.43Å; F26-F30 HydrophobicContact CE2-CD2 4.03Å; F26-F30 AromaticContact CE2-CE2 3.65Å; F26-F30 HydrophobicContact CE2-CE2 3.65Å; F26-F30 HydrophobicContact CE2-CZ 4.47Å; F26-F30 HydrophobicContact CG-CD2 4Å; F26-F30 HydrophobicContact CG-CE2 4.38Å; F26-F30 AromaticContact CZ-CD2 3.96Å; F26-F30 HydrophobicContact CZ-CD2 3.96Å; F26-F30 AromaticContact CZ-CE2 3.83Å; F26-F30 HydrophobicContact CZ-CE2 3.83Å; F26-F30 HydrophobicContact CZ-CZ 4.45Å; F26-F30 VanDerWaalsContact O-CB 3.28Å; F26-F30 WeakPolarHBondContact O-CB 3.34Å; F26-F30 WeakPolarHBondContact O-CD2 3.27Å; F26-F30 PolarHBondContact O-N 3.12Å
27S57.3Low60.6Low70 Ų70105.4 Ų105.449%0.4954%0.537SS..Hα-helixtrans-70.6-28.4176.368.70000114.5T23 L24 L25T23-S27 WeakPolarHBondContact O-CB 3.34Å; T23-S27 PolarHBondContact O-N 3.37Å; T23-S27 PolarHBondContact O-OG 3.36Å; L24-S27 WeakPolarHBondContact CA-OG 3.5Å; L24-S27 PolarHBondContact O-N 2.86Å; L24-S27 PolarHBondContact O-OG 3.14Å; L25-S27 VanDerWaalsContact C-N 3.34Å; L25-S27 PolarHBondContact O-N 3.26Å
28F58.9Low58.9Low169 Ų169107.7 Ų107.774%0.74154%0.538SS*.Hα-helixtrans-85.3-32.4179.2-115-88.6000113L24 L25 F26L24-F28 HydrophobicContact CD2-CD2 4.34Å; L24-F28 WeakPolarHBondContact O-CB 3.33Å; L24-F28 PolarHBondContact O-N 3.42Å; L25-F28 PolarHBondContact O-N 3.02Å; F26-F28 PolarHBondContact O-N 3.46Å
29T57.9Low57.1Low98 Ų98110 Ų11060%0.60154%0.541SS*.Hα-helixtrans-83.4-32.1175.752.40000112.5L25L25-T29 WeakPolarHBondContact O-CB 3.48Å; L25-T29 WeakPolarHBondContact O-CG2 3.47Å; L25-T29 PolarHBondContact O-N 3.48Å; L25-T29 PolarHBondContact O-OG1 3.36Å
30F55.6Low55.4Low84 Ų84114.9 Ų114.937%0.36856%0.555SS.*  trans-104.669.9173.6-63.1-86.6000110.5F26 D32 P33F26-F30 AromaticContact CD1-CD2 3.94Å; F26-F30 HydrophobicContact CD1-CD2 3.94Å; F26-F30 HydrophobicContact CD2-CD2 4.05Å; F26-F30 AromaticContact CD2-CE2 3.94Å; F26-F30 HydrophobicContact CD2-CE2 3.94Å; F26-F30 AromaticContact CE1-CD2 3.92Å; F26-F30 HydrophobicContact CE1-CD2 3.92Å; F26-F30 HydrophobicContact CE1-CE2 4.28Å; F26-F30 HydrophobicContact CE1-CG 4.43Å; F26-F30 HydrophobicContact CE2-CD2 4.03Å; F26-F30 AromaticContact CE2-CE2 3.65Å; F26-F30 HydrophobicContact CE2-CE2 3.65Å; F26-F30 HydrophobicContact CE2-CZ 4.47Å; F26-F30 HydrophobicContact CG-CD2 4Å; F26-F30 HydrophobicContact CG-CE2 4.38Å; F26-F30 AromaticContact CZ-CD2 3.96Å; F26-F30 HydrophobicContact CZ-CD2 3.96Å; F26-F30 AromaticContact CZ-CE2 3.83Å; F26-F30 HydrophobicContact CZ-CE2 3.83Å; F26-F30 HydrophobicContact CZ-CZ 4.45Å; F26-F30 VanDerWaalsContact O-CB 3.28Å; F26-F30 WeakPolarHBondContact O-CB 3.34Å; F26-F30 WeakPolarHBondContact O-CD2 3.27Å; F26-F30 PolarHBondContact O-N 3.12Å; F30-D32 PolarHBondContact O-N 3.49Å; F30-P33 HydrophobicContact CB-CG 4.37Å
31R51.2Low53.7Low238 Ų238116.5 Ų116.590%0.89856%0.556SS**SBendtrans-67.691154.4-120.5-178.3-178.5-179.6-0.2106.2
32D48.4Very low51.9Low80 Ų80119.2 Ų119.243%0.42856%0.563SS.*  trans90.585.8176.8-145.6-10.4000116.8F30 S34 L35F30-D32 PolarHBondContact O-N 3.49Å; D32-S34 PolarHBondContact O-N 3.09Å; D32-S34 VanDerWaalsContact OD1-CB 3.27Å; D32-S34 WeakPolarHBondContact OD1-CB 3.22Å; D32-S34 PolarHBondContact OD1-N 3.12Å; D32-S34 PolarHBondContact OD1-OG 3.07Å; D32-S34 PolarHBondContact OD2-OG 3.19Å; D32-L35 HydrophobicContact CB-CD1 4.19Å; D32-L35 PolarHBondContact O-N 3.07Å
33P46.3Very low50.4Low82 Ų82121.2 Ų121.253%0.53257%0.57SS.*Hα-helixtrans-63.1-16.1171.5-16.529.6000113.4F30 L35 F37F30-P33 HydrophobicContact CB-CG 4.37Å; P33-L35 VanDerWaalsContact C-N 3.34Å; P33-F37 WeakPolarHBondContact O-CB 3.25Å; P33-F37 PolarHBondContact O-N 3.21Å
34S47.2Very low49Very low52 Ų52120 Ų12036%0.36457%0.565SS.*Hα-helixtrans-68.1-33.7179.475.50000111.7D32 Y36 F38D32-S34 PolarHBondContact O-N 3.09Å; D32-S34 VanDerWaalsContact OD1-CB 3.27Å; D32-S34 WeakPolarHBondContact OD1-CB 3.22Å; D32-S34 PolarHBondContact OD1-N 3.12Å; D32-S34 PolarHBondContact OD1-OG 3.07Å; D32-S34 PolarHBondContact OD2-OG 3.19Å; S34-Y36 PolarHBondContact O-N 2.92Å; S34-F38 WeakPolarHBondContact O-CB 3.23Å; S34-F38 WeakPolarHBondContact O-CD2 3.39Å; S34-F38 PolarHBondContact O-N 3.28Å
35L47.8Very low47.7Very low115 Ų115119.6 Ų119.660%0.60256%0.563SS**Hα-helixtrans-71.1-32.7-174.1-88.2161.7000114.2D32 P33 K39D32-L35 HydrophobicContact CB-CD1 4.19Å; D32-L35 PolarHBondContact O-N 3.07Å; P33-L35 VanDerWaalsContact C-N 3.34Å; L35-K39 WeakPolarHBondContact O-CB 3.48Å; L35-K39 PolarHBondContact O-N 3.2Å
36Y44.8Very low46.6Very low157 Ų157119.6 Ų119.662%0.61657%0.57SS**Hα-helixtrans-88.3-30.9176.8-76.2-83.3000112.8S34 K39 Y40S34-Y36 PolarHBondContact O-N 2.92Å; Y36-K39 PolarHBondContact O-N 3.44Å; Y36-Y40 PolarHBondContact O-N 3.36Å
37F43Very low45.6Very low142 Ų142121.3 Ų121.362%0.62358%0.578SS**Hα-helixtrans-66.5-40.2169.2-155.5-97.7000110.6P33 K39 Y40 F41P33-F37 WeakPolarHBondContact O-CB 3.25Å; P33-F37 PolarHBondContact O-N 3.21Å; F37-K39 VanDerWaalsContact C-N 3.35Å; F37-K39 PolarHBondContact O-N 3.03Å; F37-Y40 PolarHBondContact O-N 2.86Å; F37-F41 AromaticContact CD1-CD2 3.69Å; F37-F41 HydrophobicContact CD1-CD2 3.69Å; F37-F41 AromaticContact CD1-CE2 3.91Å; F37-F41 HydrophobicContact CD1-CE2 3.91Å; F37-F41 AromaticContact CE1-CD2 3.51Å; F37-F41 HydrophobicContact CE1-CD2 3.51Å; F37-F41 AromaticContact CE1-CE2 3.22Å; F37-F41 HydrophobicContact CE1-CE2 3.22Å; F37-F41 HydrophobicContact CE1-CZ 4.22Å; F37-F41 HydrophobicContact CE2-CE2 4.43Å; F37-F41 HydrophobicContact CG-CD2 4.45Å; F37-F41 HydrophobicContact CZ-CD2 4.14Å; F37-F41 AromaticContact CZ-CE2 3.54Å; F37-F41 HydrophobicContact CZ-CE2 3.54Å; F37-F41 WeakPolarHBondContact O-CB 3.4Å; F37-F41 PolarHBondContact O-N 3.37Å
38F42.5Very low45Very low130 Ų130126 Ų12657%0.5759%0.589SS**Hα-helixtrans-68.9-25.4169.8-95.7-83.7000113.7S34 R42S34-F38 WeakPolarHBondContact O-CB 3.23Å; S34-F38 WeakPolarHBondContact O-CD2 3.39Å; S34-F38 PolarHBondContact O-N 3.28Å; F38-R42 WeakPolarHBondContact O-CA 3.29Å; F38-R42 WeakPolarHBondContact O-CB 3Å; F38-R42 VanDerWaalsContact O-CG 3.28Å; F38-R42 WeakPolarHBondContact O-CG 3.16Å; F38-R42 PolarHBondContact O-N 3.26Å
39K41.4Very low44.6Very low129 Ų129122.2 Ų122.256%0.56158%0.584SS**Hα-helixtrans-76.3-35.6175.1-153.3174.3-173.3-179.80111.8L35 Y36 F37 L43L35-K39 WeakPolarHBondContact O-CB 3.48Å; L35-K39 PolarHBondContact O-N 3.2Å; Y36-K39 PolarHBondContact O-N 3.44Å; F37-K39 VanDerWaalsContact C-N 3.35Å; F37-K39 PolarHBondContact O-N 3.03Å; K39-L43 PolarHBondContact O-N 2.72Å
40Y39.8Very low44.7Very low191 Ų191123.8 Ų123.875%0.74958%0.583SS**Hα-helixtrans-74.9-35.1172.7-123.9-90.7000112.1Y36 F37 S44Y36-Y40 PolarHBondContact O-N 3.36Å; F37-Y40 PolarHBondContact O-N 2.86Å; Y40-S44 PolarHBondContact O-N 3.2Å
41F38.5Very low45.6Very low108 Ų108121.5 Ų121.547%0.47458%0.582SS.*Hα-helixtrans-72-31.5168.6-94.3-90.5000113.1F37 S44 D45F37-F41 AromaticContact CD1-CD2 3.69Å; F37-F41 HydrophobicContact CD1-CD2 3.69Å; F37-F41 AromaticContact CD1-CE2 3.91Å; F37-F41 HydrophobicContact CD1-CE2 3.91Å; F37-F41 AromaticContact CE1-CD2 3.51Å; F37-F41 HydrophobicContact CE1-CD2 3.51Å; F37-F41 AromaticContact CE1-CE2 3.22Å; F37-F41 HydrophobicContact CE1-CE2 3.22Å; F37-F41 HydrophobicContact CE1-CZ 4.22Å; F37-F41 HydrophobicContact CE2-CE2 4.43Å; F37-F41 HydrophobicContact CG-CD2 4.45Å; F37-F41 HydrophobicContact CZ-CD2 4.14Å; F37-F41 AromaticContact CZ-CE2 3.54Å; F37-F41 HydrophobicContact CZ-CE2 3.54Å; F37-F41 WeakPolarHBondContact O-CB 3.4Å; F37-F41 PolarHBondContact O-N 3.37Å; F41-S44 CarbonylContact O-C 3.43Å; F41-S44 WeakPolarHBondContact O-CA 3.26Å; F41-S44 WeakPolarHBondContact O-CB 3.38Å; F41-S44 PolarHBondContact O-N 2.82Å; F41-S44 VanDerWaalsContact O-N 3.1Å; F41-D45 WeakPolarHBondContact O-CB 3.42Å; F41-D45 PolarHBondContact O-N 2.7Å
42R39.1Very low47.3Very low189 Ų189112 Ų11271%0.71355%0.552SS**Hα-helixtrans-68.9-33.7171.6-89.5-173.8177.9-172.40.2113.1F38 S44 D45 S46F38-R42 WeakPolarHBondContact O-CA 3.29Å; F38-R42 WeakPolarHBondContact O-CB 3Å; F38-R42 VanDerWaalsContact O-CG 3.28Å; F38-R42 WeakPolarHBondContact O-CG 3.16Å; F38-R42 PolarHBondContact O-N 3.26Å; R42-S44 PolarHBondContact O-N 2.82Å; R42-D45 PolarHBondContact O-N 3.05Å; R42-S46 PolarHBondContact O-N 3.12Å
43L40.9Very low49.4Very low117 Ų117108.6 Ų108.661%0.61353%0.534SS*.Hα-helixtrans-71.7-19170.7-81.8159.1000112.3K39K39-L43 PolarHBondContact O-N 2.72Å
44S36.6Very low51.6Low56 Ų56107.8 Ų107.839%0.39253%0.53SS..Hα-helixtrans-90.8-26.9171.1-174.10000112.9Y40 F41 R42 S46 F47Y40-S44 PolarHBondContact O-N 3.2Å; F41-S44 CarbonylContact O-C 3.43Å; F41-S44 WeakPolarHBondContact O-CA 3.26Å; F41-S44 WeakPolarHBondContact O-CB 3.38Å; F41-S44 PolarHBondContact O-N 2.82Å; F41-S44 VanDerWaalsContact O-N 3.1Å; R42-S44 PolarHBondContact O-N 2.82Å; S44-S46 VanDerWaalsContact C-N 3.26Å; S44-F47 WeakPolarHBondContact O-CB 3.16Å; S44-F47 PolarHBondContact O-N 3.35Å; S44-F47 VanDerWaalsContact O-N 3.11Å
45D38.6Very low53.7Low92 Ų92106 Ų10649%0.49252%0.518SS..Hα-helixtrans-72.6-22.4174.8-80.4-25.1000111.3F41 R42 F47 F48 S49F41-D45 WeakPolarHBondContact O-CB 3.42Å; F41-D45 PolarHBondContact O-N 2.7Å; R42-D45 PolarHBondContact O-N 3.05Å; D45-F47 PolarHBondContact O-N 3.04Å; D45-F48 PolarHBondContact O-N 3.13Å; D45-S49 PolarHBondContact O-N 3.05Å
46S41Very low55.5Low81 Ų81109.3 Ų109.357%0.56653%0.53SS*.THydrogen-bonded Turntrans-70.4-8.6168.496.70000113.4R42 S44R42-S46 PolarHBondContact O-N 3.12Å; S44-S46 VanDerWaalsContact C-N 3.26Å
47F40.8Very low57.5Low168 Ų168105.5 Ų105.574%0.73752%0.518SS*.THydrogen-bonded Turntrans-90.4-9.8172.7-107.2-90.4000112.8S44 D45S44-F47 WeakPolarHBondContact O-CB 3.16Å; S44-F47 PolarHBondContact O-N 3.35Å; S44-F47 VanDerWaalsContact O-N 3.11Å; D45-F47 PolarHBondContact O-N 3.04Å
48F44.5Very low59.9Low167 Ų16799.2 Ų99.273%0.73249%0.491SS*.THydrogen-bonded Turntrans-140.310.2-177.4-68.8-76.1000115.4D45 K50D45-F48 PolarHBondContact O-N 3.13Å; F48-K50 PolarHBondContact O-N 3.37Å
49S49.7Very low62.2Low91 Ų9193.1 Ų93.164%0.63647%0.465SS*.  trans-70.678.7155.268.20000107.8D45 G51D45-S49 PolarHBondContact O-N 3.05Å; S49-G51 VanDerWaalsContact C-N 3.35Å; S49-G51 PolarHBondContact O-N 3.01Å
50K60.7Low64.5Low131 Ų13188 Ų8857%0.5745%0.447SS*.  trans-42.7104.6157.5-102.5-162.1-163.5-174.40105.6F48 P130 E131F48-K50 PolarHBondContact O-N 3.37Å; K50-P130 HydrophobicContact CB-CB 3.45Å; K50-P130 VanDerWaalsContact CB-CB 3.45Å; K50-P130 HydrophobicContact CB-CG 4.08Å; K50-P130 HydrophobicContact CD-CB 3.81Å; K50-P130 HydrophobicContact CG-CB 4.04Å; K50-E131 IonicContact NZ-OE1 3.75Å; K50-E131 PolarHBondContact NZ-OE1 3.43Å
51G74Confident66.8Low35 Ų3582.4 Ų82.436%0.36143%0.428SS..  trans-57.1179.6-173.900000112.2S49 C53 P130S49-G51 VanDerWaalsContact C-N 3.35Å; S49-G51 PolarHBondContact O-N 3.01Å; G51-C53 PolarHBondContact O-N 2.75Å; G51-P130 WeakPolarHBondContact O-CB 3.49Å; G51-P130 VanDerWaalsContact O-CG 3.27Å; G51-P130 WeakPolarHBondContact O-CG 3.23Å
52P87.5Confident68.9Low39 Ų3980.6 Ų80.625%0.25342%0.422SS..SBendtrans-59-21.2-17323.1-32.3000113.5C58 A60 E61 A128 S129P52-C58 HydrophobicContact CB-CB 4.43Å; P52-C58 HydrophobicContact CG-CB 3.63Å; P52-A60 HydrophobicContact CB-CB 4.28Å; P52-E61 WeakPolarHBondContact CD-OE2 3.43Å; P52-E61 HydrophobicContact CG-CB 4.07Å; P52-E61 WeakPolarHBondContact CG-OE2 3.31Å; P52-A128 CarbonylContact O-C 3.34Å; P52-A128 VanDerWaalsContact O-CB 3.27Å; P52-A128 WeakPolarHBondContact O-CB 3.39Å; P52-S129 CarbonylContact O-C 3.44Å; P52-S129 PolarHBondContact O-N 2.8Å
53C92.4Very high70.9Confident9 Ų979.6 Ų79.66%0.06143%0.426CS..SBendtrans-146.8175.2173.482.80000111.8G51 C55 C58 A128 S129 D276G51-C53 PolarHBondContact O-N 2.75Å; C53-C55 WeakPolarHBondContact SG-CB 3.34Å; C53-C55 PolarHBondContact SG-N 2.95Å; C53-C58 WeakPolarHBondContact CA-SG 3.49Å; C53-C58 HydrophobicContact CB-CB 3.94Å; C53-C58 WeakPolarHBondContact CB-SG 3.22Å; C53-C58 PolarHBondContact N-SG 3.4Å; C53-C58 VanDerWaalsContact SG-CA 3.51Å; C53-C58 WeakPolarHBondContact SG-CB 3.45Å; C53-C58 CovalentContact SG-SG 2.02Å; C53-C58 PolarHBondContact SG-SG 3.25Å; C53-A128 HydrophobicContact CB-CB 4.49Å; C53-S129 WeakPolarHBondContact CA-O 3.43Å; C53-D276 HydrophobicContact CB-CB 3.8Å
54S92.6Very high73Confident64 Ų6478 Ų7845%0.44844%0.438SS..SBendtrans-92.74.7175.572.50000114.9R132 C133S54-R132 PolarHBondContact N-O 3.39Å; S54-R132 PolarHBondContact OG-O 3.35Å; S54-C133 WeakPolarHBondContact OG-CB 3.24Å; S54-C133 PolarHBondContact OG-N 3.47Å
55C91.6Very high75.6Confident16 Ų1675.8 Ų75.811%0.10842%0.422CS..SBendtrans-72.1163.3173.2-56.10000111.5C53 Q57 C133 D276 E277C53-C55 WeakPolarHBondContact SG-CB 3.34Å; C53-C55 PolarHBondContact SG-N 2.95Å; C55-Q57 VanDerWaalsContact CB-O 3.32Å; C55-Q57 WeakPolarHBondContact CB-O 3.32Å; C55-Q57 PolarHBondContact O-N 3.16Å; C55-C133 WeakPolarHBondContact CA-SG 3.49Å; C55-C133 HydrophobicContact CB-CB 4.01Å; C55-C133 WeakPolarHBondContact CB-SG 3.42Å; C55-C133 WeakPolarHBondContact SG-CA 3.44Å; C55-C133 WeakPolarHBondContact SG-CB 3.35Å; C55-C133 CovalentContact SG-SG 2.03Å; C55-C133 PolarHBondContact SG-SG 2.97Å; C55-D276 WeakPolarHBondContact SG-CB 3.5Å; C55-E277 HydrophobicContact CB-CB 4.46Å
56Q86.6Confident78.2Confident183 Ų18376.5 Ų76.586%0.85543%0.431SS*.SBendtrans-60.4-33.5171.5-177.2178.8-8.700111.7
57Q86.3Confident80.8Confident77 Ų7775.1 Ų75.136%0.3641%0.413SS..SBendtrans-140.5134.7174.8-178.6161.422.300109.4C55 H326C55-Q57 VanDerWaalsContact CB-O 3.32Å; C55-Q57 WeakPolarHBondContact CB-O 3.32Å; C55-Q57 PolarHBondContact O-N 3.16Å; Q57-H326 PolarHBondContact NE2-O 3.36Å; Q57-H326 PolarHBondContact OE1-O 2.67Å
58C92.1Very high83.5Confident10 Ų1067.1 Ų67.17%0.06838%0.378CS..  trans-110.6129.6-177.4-560000110.4P52 C53 A60 E61 D276P52-C58 HydrophobicContact CB-CB 4.43Å; P52-C58 HydrophobicContact CG-CB 3.63Å; C53-C58 WeakPolarHBondContact CA-SG 3.49Å; C53-C58 HydrophobicContact CB-CB 3.94Å; C53-C58 WeakPolarHBondContact CB-SG 3.22Å; C53-C58 PolarHBondContact N-SG 3.4Å; C53-C58 VanDerWaalsContact SG-CA 3.51Å; C53-C58 WeakPolarHBondContact SG-CB 3.45Å; C53-C58 CovalentContact SG-SG 2.02Å; C53-C58 PolarHBondContact SG-SG 3.25Å; C58-A60 PolarHBondContact O-N 2.99Å; C58-E61 HydrophobicContact CB-CB 4.44Å; C58-E61 VanDerWaalsContact O-CB 3.28Å; C58-E61 WeakPolarHBondContact O-CB 3.18Å; C58-E61 PolarHBondContact O-N 3Å; C58-E61 VanDerWaalsContact O-N 3.16Å; C58-D276 CarbonylContact C-O 3.6Å; C58-D276 WeakPolarHBondContact CA-O 3.28Å
59V92.6Very high85.9Confident3 Ų361.1 Ų61.12%0.01836%0.36CS..THydrogen-bonded Turntrans-56.4-42.1174.1172.90000111.2E61 F68 F72 L272 D276 V278 K327V59-E61 PolarHBondContact O-N 3.25Å; V59-E61 VanDerWaalsContact O-N 3.16Å; V59-F68 HydrophobicContact CG1-CZ 3.89Å; V59-F68 VanDerWaalsContact O-CE1 3.29Å; V59-F68 WeakPolarHBondContact O-CE1 3.44Å; V59-F72 HydrophobicContact CG1-CE2 4.26Å; V59-F72 HydrophobicContact CG1-CZ 4.24Å; V59-L272 HydrophobicContact CG1-CB 4.23Å; V59-L272 HydrophobicContact CG1-CD2 3.64Å; V59-L272 WeakPolarHBondContact CG1-O 3.44Å; V59-L272 HydrophobicContact CG2-CD2 4.04Å; V59-D276 WeakPolarHBondContact CG2-O 3.42Å; V59-D276 PolarHBondContact N-O 3.43Å; V59-V278 HydrophobicContact CG2-CG2 4.11Å; V59-K327 WeakPolarHBondContact CG2-O 3.37Å
60A87.8Confident88Confident22 Ų2264.3 Ų64.318%0.18237%0.365CS..THydrogen-bonded Turntrans-71-3.1-178.400000114.8P52 C58 L62 A128P52-A60 HydrophobicContact CB-CB 4.28Å; C58-A60 PolarHBondContact O-N 2.99Å; A60-L62 PolarHBondContact O-N 2.78Å; A60-A128 HydrophobicContact CB-CB 4.07Å
61E88.2Confident89.7Confident73 Ų7358.8 Ų58.834%0.34134%0.341SS..  trans-68.4109.7172.3-172.175-137.400109.2P52 C58 V59 K327P52-E61 WeakPolarHBondContact CD-OE2 3.43Å; P52-E61 HydrophobicContact CG-CB 4.07Å; P52-E61 WeakPolarHBondContact CG-OE2 3.31Å; C58-E61 HydrophobicContact CB-CB 4.44Å; C58-E61 VanDerWaalsContact O-CB 3.28Å; C58-E61 WeakPolarHBondContact O-CB 3.18Å; C58-E61 PolarHBondContact O-N 3Å; C58-E61 VanDerWaalsContact O-N 3.16Å; V59-E61 PolarHBondContact O-N 3.25Å; V59-E61 VanDerWaalsContact O-N 3.16Å; E61-K327 PolarHBondContact O-NZ 2.9Å
62L83.6Confident90.8Very high70 Ų7057.6 Ų57.637%0.36633%0.326SS..  trans-96.3-19.3-178.7-56.4-175.5000113.1A60 G64 D65 F68 A69 F72A60-L62 PolarHBondContact O-N 2.78Å; L62-G64 PolarHBondContact O-N 3.24Å; L62-D65 PolarHBondContact O-N 3.19Å; L62-F68 HydrophobicContact CD2-CD1 3.65Å; L62-F68 HydrophobicContact CD2-CE1 3.65Å; L62-A69 HydrophobicContact CB-CB 4.26Å; L62-F72 HydrophobicContact CD2-CD1 3.83Å
63E81.2Confident91.2Very high168 Ų16859 Ų5979%0.78533%0.331SS*.THydrogen-bonded Turntrans-64.1133.2-177.7-64-166.3176.600111
64G84.4Confident91.2Very high84 Ų8462 Ų6287%0.86635%0.346SS*.THydrogen-bonded Turntrans83.90.8177.700000115.9L62L62-G64 PolarHBondContact O-N 3.24Å
65D91.1Very high91.2Very high9 Ų963.7 Ų63.75%0.04836%0.358CS..  trans-134.581.8176.6-166.9-7.6000113.1L62 W67 F68 A69 K325 K327L62-D65 PolarHBondContact O-N 3.19Å; D65-W67 VanDerWaalsContact C-N 3.29Å; D65-W67 PolarHBondContact O-N 3.31Å; D65-F68 HydrophobicContact CB-CB 4.07Å; D65-F68 VanDerWaalsContact CG-CB 3.43Å; D65-F68 PolarHBondContact O-N 2.86Å; D65-F68 PolarHBondContact OD1-N 2.84Å; D65-F68 WeakPolarHBondContact OD2-CB 3.49Å; D65-A69 WeakPolarHBondContact O-CB 3.34Å; D65-A69 PolarHBondContact O-N 2.88Å; D65-K325 IonicContact OD1-NZ 2.71Å; D65-K325 PolarHBondContact OD1-NZ 3.28Å; D65-K325 WeakPolarHBondContact OD2-CB 3.45Å; D65-K325 VanDerWaalsContact OD2-CD 3.29Å; D65-K325 WeakPolarHBondContact OD2-CD 3.48Å; D65-K325 WeakPolarHBondContact OD2-CG 3.27Å; D65-K325 IonicContact OD2-NZ 2.73Å; D65-K327 VanDerWaalsContact OD2-CE 3.28Å; D65-K327 WeakPolarHBondContact OD2-CE 3.34Å
66P94.3Very high91.3Very high106 Ų10664.8 Ų64.869%0.68836%0.362SS*.Hα-helixtrans-60.5-36-177-24.234.1000113.8A69 E70P66-A69 PolarHBondContact O-N 2.77Å; P66-E70 WeakPolarHBondContact O-CB 3.18Å; P66-E70 PolarHBondContact O-N 3.11Å
67W95.4Very high91.7Very high52 Ų5260.9 Ų60.920%0.19734%0.344CS..Hα-helixtrans-62.7-49.6177.9174.883.5000110.1D65 A69 E70 H71 W253 V318 L321 L322 K325D65-W67 VanDerWaalsContact C-N 3.29Å; D65-W67 PolarHBondContact O-N 3.31Å; W67-A69 VanDerWaalsContact C-N 3.34Å; W67-A69 PolarHBondContact O-N 3.04Å; W67-E70 PolarHBondContact O-N 3.3Å; W67-H71 AromaticContact CD1-CE1 3.51Å; W67-H71 AromaticContact CE2-CE1 3.83Å; W67-H71 AromaticContact CE2-NE2 3.71Å; W67-H71 AromaticContact CZ2-CD2 3.95Å; W67-H71 AromaticContact CZ2-NE2 3.97Å; W67-H71 AromaticContact NE1-CE1 3.26Å; W67-H71 PolarHBondContact NE1-CE1 3.01Å; W67-H71 VanDerWaalsContact NE1-CE1 3.26Å; W67-H71 AromaticContact NE1-ND1 3.96Å; W67-H71 AromaticContact NE1-NE2 3.29Å; W67-H71 PolarHBondContact NE1-NE2 2.74Å; W67-H71 PolarHBondContact O-N 2.88Å; W67-H71 PolarHBondContact O-ND1 2.98Å; W67-W253 HydrophobicContact CH2-CZ3 4.16Å; W67-W253 HydrophobicContact CZ3-CZ3 4.44Å; W67-V318 HydrophobicContact CH2-CG1 4.09Å; W67-V318 HydrophobicContact CZ2-CG1 4.37Å; W67-L321 HydrophobicContact CD2-CD2 3.9Å; W67-L321 HydrophobicContact CD2-CG 4.48Å; W67-L321 VanDerWaalsContact CE2-CD2 3.49Å; W67-L321 HydrophobicContact CE3-CD2 4.22Å; W67-L321 HydrophobicContact CE3-CG 4.33Å; W67-L321 HydrophobicContact CH2-CB 4.49Å; W67-L321 HydrophobicContact CH2-CD2 3.8Å; W67-L321 HydrophobicContact CH2-CG 4.05Å; W67-L321 HydrophobicContact CZ2-CD2 3.46Å; W67-L321 VanDerWaalsContact CZ2-CD2 3.46Å; W67-L321 HydrophobicContact CZ2-CG 4.23Å; W67-L321 HydrophobicContact CZ3-CD2 4.16Å; W67-L321 HydrophobicContact CZ3-CG 4.1Å; W67-L322 HydrophobicContact CH2-CG 4.4Å; W67-L322 HydrophobicContact CZ3-CD2 4.19Å; W67-L322 HydrophobicContact CZ3-CG 4.41Å; W67-K325 HydrophobicContact CD2-CD 4.26Å; W67-K325 HydrophobicContact CE3-CD 3.38Å; W67-K325 VanDerWaalsContact CE3-CE 3.42Å; W67-K325 HydrophobicContact CZ3-CD 3.8Å
68F96.1Very high92.2Very high0 Ų058 Ų580%033%0.332CS..Hα-helixtrans-64.2-40.4178-175.7-97.8000111.8V59 L62 D65 E70 H71 F72 W253 L322 K327V59-F68 HydrophobicContact CG1-CZ 3.89Å; V59-F68 VanDerWaalsContact O-CE1 3.29Å; V59-F68 WeakPolarHBondContact O-CE1 3.44Å; L62-F68 HydrophobicContact CD2-CD1 3.65Å; L62-F68 HydrophobicContact CD2-CE1 3.65Å; D65-F68 HydrophobicContact CB-CB 4.07Å; D65-F68 VanDerWaalsContact CG-CB 3.43Å; D65-F68 PolarHBondContact O-N 2.86Å; D65-F68 PolarHBondContact OD1-N 2.84Å; D65-F68 WeakPolarHBondContact OD2-CB 3.49Å; F68-E70 VanDerWaalsContact C-N 3.29Å; F68-E70 PolarHBondContact O-N 2.84Å; F68-H71 PolarHBondContact O-N 2.62Å; F68-H71 VanDerWaalsContact O-N 3.13Å; F68-F72 HydrophobicContact CD1-CB 3.93Å; F68-F72 HydrophobicContact CD1-CG 4.36Å; F68-F72 HydrophobicContact CE1-CB 3.59Å; F68-F72 AromaticContact CE1-CD1 3.76Å; F68-F72 HydrophobicContact CE1-CD1 3.76Å; F68-F72 HydrophobicContact CE1-CD2 4.03Å; F68-F72 HydrophobicContact CE1-CE1 4.36Å; F68-F72 AromaticContact CE1-CG 3.53Å; F68-F72 HydrophobicContact CE1-CG 3.53Å; F68-F72 HydrophobicContact CE2-CB 4.26Å; F68-F72 HydrophobicContact CE2-CD2 4.23Å; F68-F72 HydrophobicContact CE2-CG 4.38Å; F68-F72 HydrophobicContact CG-CB 4.39Å; F68-F72 HydrophobicContact CZ-CB 3.77Å; F68-F72 HydrophobicContact CZ-CD1 4.11Å; F68-F72 AromaticContact CZ-CD2 3.53Å; F68-F72 HydrophobicContact CZ-CD2 3.53Å; F68-F72 HydrophobicContact CZ-CE2 4.08Å; F68-F72 AromaticContact CZ-CG 3.54Å; F68-F72 HydrophobicContact CZ-CG 3.54Å; F68-F72 WeakPolarHBondContact O-CB 3.39Å; F68-F72 PolarHBondContact O-N 2.8Å; F68-W253 AromaticContact CD2-CH2 3.77Å; F68-W253 HydrophobicContact CD2-CH2 3.77Å; F68-W253 HydrophobicContact CD2-CZ3 4.27Å; F68-W253 AromaticContact CE2-CH2 3.56Å; F68-W253 HydrophobicContact CE2-CH2 3.56Å; F68-W253 HydrophobicContact CE2-CZ3 4.3Å; F68-W253 HydrophobicContact CZ-CH2 4.39Å; F68-L322 HydrophobicContact CD2-CD2 3.74Å; F68-L322 HydrophobicContact CE2-CD2 3.67Å; F68-K327 HydrophobicContact CD1-CD 4.04Å; F68-K327 HydrophobicContact CD2-CB 4.39Å; F68-K327 HydrophobicContact CD2-CD 4.01Å; F68-K327 HydrophobicContact CD2-CG 3.64Å; F68-K327 HydrophobicContact CE1-CD 4.06Å; F68-K327 HydrophobicContact CE2-CB 4.09Å; F68-K327 HydrophobicContact CE2-CD 4.01Å; F68-K327 HydrophobicContact CE2-CG 3.77Å; F68-K327 HydrophobicContact CG-CD 4Å; F68-K327 HydrophobicContact CG-CG 4.06Å; F68-K327 HydrophobicContact CZ-CD 4.05Å; F68-K327 HydrophobicContact CZ-CG 4.31Å
69A94.9Very high92.5Very high42 Ų4258.5 Ų58.535%0.34733%0.334SS..Hα-helixtrans-64.5-30.3178.600000113.7L62 D65 P66 W67L62-A69 HydrophobicContact CB-CB 4.26Å; D65-A69 WeakPolarHBondContact O-CB 3.34Å; D65-A69 PolarHBondContact O-N 2.88Å; P66-A69 PolarHBondContact O-N 2.77Å; W67-A69 VanDerWaalsContact C-N 3.34Å; W67-A69 PolarHBondContact O-N 3.04Å
70E95.4Very high92.6Very high157 Ų15758.8 Ų58.873%0.73434%0.335SS*.Hα-helixtrans-70.2-34.1173.2-179.5174.1-164.200112P66 W67 F68P66-E70 WeakPolarHBondContact O-CB 3.18Å; P66-E70 PolarHBondContact O-N 3.11Å; W67-E70 PolarHBondContact O-N 3.3Å; F68-E70 VanDerWaalsContact C-N 3.29Å; F68-E70 PolarHBondContact O-N 2.84Å
71H96.6Very high93Very high15 Ų1558.2 Ų58.27%0.06933%0.329CS..Hα-helixtrans-90.5-34.5-174.5-64.853.2000112.1W67 F68 Y248 S252 W253W67-H71 AromaticContact CD1-CE1 3.51Å; W67-H71 AromaticContact CE2-CE1 3.83Å; W67-H71 AromaticContact CE2-NE2 3.71Å; W67-H71 AromaticContact CZ2-CD2 3.95Å; W67-H71 AromaticContact CZ2-NE2 3.97Å; W67-H71 AromaticContact NE1-CE1 3.26Å; W67-H71 PolarHBondContact NE1-CE1 3.01Å; W67-H71 VanDerWaalsContact NE1-CE1 3.26Å; W67-H71 AromaticContact NE1-ND1 3.96Å; W67-H71 AromaticContact NE1-NE2 3.29Å; W67-H71 PolarHBondContact NE1-NE2 2.74Å; W67-H71 PolarHBondContact O-N 2.88Å; W67-H71 PolarHBondContact O-ND1 2.98Å; F68-H71 PolarHBondContact O-N 2.62Å; F68-H71 VanDerWaalsContact O-N 3.13Å; H71-Y248 VanDerWaalsContact O-CE2 3.27Å; H71-Y248 WeakPolarHBondContact O-CE2 3.23Å; H71-Y248 VanDerWaalsContact O-CZ 3.28Å; H71-Y248 PolarHBondContact O-OH 3.22Å; H71-S252 PolarHBondContact CD2-O 3.23Å; H71-S252 PolarHBondContact NE2-O 2.96Å; H71-W253 HydrophobicContact CB-CD2 4.09Å; H71-W253 HydrophobicContact CB-CE3 4.1Å; H71-W253 HydrophobicContact CB-CH2 4.02Å; H71-W253 HydrophobicContact CB-CZ2 4.02Å; H71-W253 HydrophobicContact CB-CZ3 4.05Å; H71-W253 PolarHBondContact O-NE1 3.41Å
72F96.5Very high93.2Very high11 Ų1158.7 Ų58.75%0.04833%0.328CS..  trans-91.4113.7-170.7-171.8-102.9000113.3V59 L62 F68 L74 Y248 W253 L272 H273V59-F72 HydrophobicContact CG1-CE2 4.26Å; V59-F72 HydrophobicContact CG1-CZ 4.24Å; L62-F72 HydrophobicContact CD2-CD1 3.83Å; F68-F72 HydrophobicContact CD1-CB 3.93Å; F68-F72 HydrophobicContact CD1-CG 4.36Å; F68-F72 HydrophobicContact CE1-CB 3.59Å; F68-F72 AromaticContact CE1-CD1 3.76Å; F68-F72 HydrophobicContact CE1-CD1 3.76Å; F68-F72 HydrophobicContact CE1-CD2 4.03Å; F68-F72 HydrophobicContact CE1-CE1 4.36Å; F68-F72 AromaticContact CE1-CG 3.53Å; F68-F72 HydrophobicContact CE1-CG 3.53Å; F68-F72 HydrophobicContact CE2-CB 4.26Å; F68-F72 HydrophobicContact CE2-CD2 4.23Å; F68-F72 HydrophobicContact CE2-CG 4.38Å; F68-F72 HydrophobicContact CG-CB 4.39Å; F68-F72 HydrophobicContact CZ-CB 3.77Å; F68-F72 HydrophobicContact CZ-CD1 4.11Å; F68-F72 AromaticContact CZ-CD2 3.53Å; F68-F72 HydrophobicContact CZ-CD2 3.53Å; F68-F72 HydrophobicContact CZ-CE2 4.08Å; F68-F72 AromaticContact CZ-CG 3.54Å; F68-F72 HydrophobicContact CZ-CG 3.54Å; F68-F72 WeakPolarHBondContact O-CB 3.39Å; F68-F72 PolarHBondContact O-N 2.8Å; F72-L74 HydrophobicContact CD1-CG 4.23Å; F72-L74 HydrophobicContact CE1-CD1 3.95Å; F72-L74 HydrophobicContact CE1-CD2 3.55Å; F72-L74 HydrophobicContact CE1-CG 3.47Å; F72-L74 VanDerWaalsContact CE1-CG 3.47Å; F72-L74 HydrophobicContact CE2-CD2 4.47Å; F72-L74 HydrophobicContact CZ-CD2 3.46Å; F72-L74 VanDerWaalsContact CZ-CD2 3.46Å; F72-L74 HydrophobicContact CZ-CG 3.95Å; F72-Y248 WeakPolarHBondContact CA-OH 3.45Å; F72-W253 HydrophobicContact CB-CH2 4.2Å; F72-W253 HydrophobicContact CB-CZ2 3.91Å; F72-W253 HydrophobicContact CD2-CH2 4.33Å; F72-W253 AromaticContact CD2-CZ2 3.9Å; F72-W253 HydrophobicContact CD2-CZ2 3.9Å; F72-W253 HydrophobicContact CG-CZ2 4.41Å; F72-L272 HydrophobicContact CE2-CB 4.29Å; F72-L272 WeakPolarHBondContact CE2-O 3.35Å; F72-H273 AromaticContact CD2-CE1 3.64Å; F72-H273 AromaticContact CD2-NE2 3.75Å; F72-H273 AromaticContact CE2-CD2 3.9Å; F72-H273 AromaticContact CE2-CE1 3.54Å; F72-H273 AromaticContact CE2-CG 3.98Å; F72-H273 AromaticContact CE2-ND1 3.75Å; F72-H273 AromaticContact CE2-NE2 3.63Å
73N95.1Very high93.6Very high69 Ų6964.1 Ų64.137%0.36935%0.351SS..  trans-128.499.5-177.3-173.4-8.1000112S75 I76 Y248N73-S75 PolarHBondContact O-N 3.23Å; N73-S75 VanDerWaalsContact O-N 3.16Å; N73-S75 VanDerWaalsContact OD1-CB 3.28Å; N73-S75 WeakPolarHBondContact OD1-CB 3.31Å; N73-S75 PolarHBondContact OD1-N 3.06Å; N73-S75 PolarHBondContact OD1-OG 2.94Å; N73-I76 HydrophobicContact CB-CD1 4.19Å; N73-I76 HydrophobicContact CB-CG1 4.37Å; N73-I76 PolarHBondContact O-N 2.84Å; N73-Y248 HydrophobicContact CB-CE2 4.09Å; N73-Y248 PolarHBondContact N-OH 2.91Å
74L91.8Very high94.2Very high71 Ų7157.9 Ų57.937%0.37232%0.324SS..THydrogen-bonded Turntrans-64.1-16.6178.8-72.2172.4000114.5F72 I76F72-L74 HydrophobicContact CD1-CG 4.23Å; F72-L74 HydrophobicContact CE1-CD1 3.95Å; F72-L74 HydrophobicContact CE1-CD2 3.55Å; F72-L74 HydrophobicContact CE1-CG 3.47Å; F72-L74 VanDerWaalsContact CE1-CG 3.47Å; F72-L74 HydrophobicContact CE2-CD2 4.47Å; F72-L74 HydrophobicContact CZ-CD2 3.46Å; F72-L74 VanDerWaalsContact CZ-CD2 3.46Å; F72-L74 HydrophobicContact CZ-CG 3.95Å; L74-I76 PolarHBondContact O-N 3.04Å
75S92.8Very high94.8Very high99 Ų9954.7 Ų54.769%0.69229%0.288SS*.THydrogen-bonded Turntrans-73.3-11.1178.6-49.70000112.7N73N73-S75 PolarHBondContact O-N 3.23Å; N73-S75 VanDerWaalsContact O-N 3.16Å; N73-S75 VanDerWaalsContact OD1-CB 3.28Å; N73-S75 WeakPolarHBondContact OD1-CB 3.31Å; N73-S75 PolarHBondContact OD1-N 3.06Å; N73-S75 PolarHBondContact OD1-OG 2.94Å
76I94.8Very high94.9Very high39 Ų3962.4 Ų62.420%0.232%0.321CS..SBendtrans-98.9108.3179.5-52177.4000108.4N73 L74 T244 F245 Y248N73-I76 HydrophobicContact CB-CD1 4.19Å; N73-I76 HydrophobicContact CB-CG1 4.37Å; N73-I76 PolarHBondContact O-N 2.84Å; L74-I76 PolarHBondContact O-N 3.04Å; I76-T244 HydrophobicContact CG2-CG2 4.28Å; I76-F245 HydrophobicContact CB-CD2 4.27Å; I76-F245 HydrophobicContact CG2-CB 4.16Å; I76-F245 HydrophobicContact CG2-CD2 3.83Å; I76-F245 HydrophobicContact CG2-CG 4.49Å; I76-F245 WeakPolarHBondContact O-CD2 3.21Å; I76-Y248 HydrophobicContact CB-CD1 4.47Å; I76-Y248 HydrophobicContact CD1-CD1 4.25Å; I76-Y248 HydrophobicContact CD1-CD2 3.42Å; I76-Y248 VanDerWaalsContact CD1-CD2 3.42Å; I76-Y248 HydrophobicContact CD1-CE2 3.98Å; I76-Y248 HydrophobicContact CD1-CG 3.56Å; I76-Y248 HydrophobicContact CG2-CD1 4.32Å; I76-Y248 HydrophobicContact CG2-CG 4.3Å
77H94.9Very high94.9Very high101 Ų10158.1 Ų58.147%0.46829%0.293SS..  trans-73.9125.8-173.9-63.8-81000112L79 N242 F245H77-L79 VanDerWaalsContact C-N 3.27Å; H77-L79 PolarHBondContact O-N 3.47Å; H77-N242 VanDerWaalsContact O-CB 3.3Å; H77-N242 WeakPolarHBondContact O-CB 3.37Å; H77-F245 WeakPolarHBondContact O-CB 3.48Å
78P96.8Very high94.9Very high17 Ų1758 Ų5811%0.1130%0.299CS..SBendtrans-72-20.6-176.329-36.1000114.2N242 F245 L270 H273 I274P78-N242 PolarHBondContact O-N 3.31Å; P78-F245 VanDerWaalsContact CA-CG 3.44Å; P78-F245 HydrophobicContact CB-CD1 3.72Å; P78-F245 HydrophobicContact CB-CD2 4.08Å; P78-F245 HydrophobicContact CB-CE1 3.68Å; P78-F245 HydrophobicContact CB-CE2 4.04Å; P78-F245 HydrophobicContact CB-CG 3.95Å; P78-F245 HydrophobicContact CB-CZ 3.87Å; P78-L270 HydrophobicContact CB-CD1 3.73Å; P78-L270 HydrophobicContact CG-CD1 4.12Å; P78-H273 HydrophobicContact CG-CB 4.12Å; P78-I274 HydrophobicContact CG-CG2 3.98Å
79L97.3Very high94.8Very high21 Ų2164.3 Ų64.311%0.1133%0.329CS..BIsolated β-bridgetrans-118.9139.3-178.3-60175.7000110.9H77 N84 Y125 V199 L239 I240 L270H77-L79 VanDerWaalsContact C-N 3.27Å; H77-L79 PolarHBondContact O-N 3.47Å; L79-N84 PolarHBondContact O-ND2 3.44Å; L79-N84 VanDerWaalsContact O-ND2 3.12Å; L79-Y125 HydrophobicContact CD1-CD2 3.58Å; L79-Y125 HydrophobicContact CD1-CE2 3.24Å; L79-V199 HydrophobicContact CD2-CG1 4.25Å; L79-L239 HydrophobicContact CD1-CB 4.27Å; L79-L239 HydrophobicContact CD1-CD1 4.03Å; L79-L239 HydrophobicContact CD1-CD2 4.47Å; L79-L239 HydrophobicContact CD1-CG 4.48Å; L79-L239 HydrophobicContact CD2-CB 4.14Å; L79-I240 CarbonylContact C-O 3.6Å; L79-I240 VanDerWaalsContact CA-O 3.28Å; L79-I240 WeakPolarHBondContact CA-O 3.36Å; L79-L270 HydrophobicContact CD2-CD1 4.1Å; L79-L270 HydrophobicContact CG-CD1 4.29Å
80M95.6Very high94.8Very high8 Ų868.2 Ų68.24%0.03934%0.34CS..  trans-82.4131.8-179.2-166.7176.47400110N84 F108 V112 L115 F116 I240 N242M80-N84 VanDerWaalsContact CA-OD1 3.27Å; M80-N84 WeakPolarHBondContact CA-OD1 3.43Å; M80-F108 HydrophobicContact SD-CZ 4.39Å; M80-V112 HydrophobicContact CE-CG2 4.12Å; M80-L115 HydrophobicContact CE-CD2 4Å; M80-F116 HydrophobicContact CE-CE2 3.93Å; M80-F116 HydrophobicContact CE-CZ 3.8Å; M80-F116 HydrophobicContact CG-CE2 4.48Å; M80-F116 HydrophobicContact CG-CZ 4.21Å; M80-F116 WeakPolarHBondContact O-CZ 3.22Å; M80-I240 HydrophobicContact CB-CB 4.11Å; M80-I240 HydrophobicContact CB-CG2 4.26Å; M80-I240 HydrophobicContact CE-CB 4.11Å; M80-I240 HydrophobicContact CE-CG1 4.39Å; M80-I240 HydrophobicContact CE-CG2 3.67Å; M80-I240 PolarHBondContact N-O 2.76Å; M80-I240 HydrophobicContact SD-CG2 4.5Å; M80-N242 HydrophobicContact CB-CB 4.28Å
81T95.4Very high94.8Very high10 Ų1061.2 Ų61.26%0.06131%0.308CS..  trans-117.8171.7165.968.70000108.2E83 N84 S85 F116 D121 V123T81-E83 VanDerWaalsContact C-N 3.25Å; T81-E83 PolarHBondContact O-N 2.99Å; T81-E83 PolarHBondContact OG1-N 3.43Å; T81-N84 PolarHBondContact N-OD1 2.75Å; T81-N84 PolarHBondContact O-N 3.49Å; T81-N84 PolarHBondContact O-OD1 2.93Å; T81-N84 PolarHBondContact OG1-N 3.41Å; T81-N84 PolarHBondContact OG1-OD1 3.12Å; T81-S85 VanDerWaalsContact O-CB 3.26Å; T81-S85 WeakPolarHBondContact O-CB 3.35Å; T81-S85 PolarHBondContact O-N 2.92Å; T81-S85 VanDerWaalsContact O-N 3.08Å; T81-F116 VanDerWaalsContact C-CE2 3.48Å; T81-D121 WeakPolarHBondContact CB-O 3.49Å; T81-D121 VanDerWaalsContact CG2-O 3.32Å; T81-D121 WeakPolarHBondContact CG2-O 3.44Å; T81-V123 HydrophobicContact CG2-CG2 4.02Å
82R93.6Very high94.6Very high84 Ų8463.3 Ų63.332%0.31732%0.317SS..THydrogen-bonded Turntrans-57.7-42.7174.4-165.3-173.9-49.8-122-1.2111.4N84 S85 E113 F116 D121R82-N84 PolarHBondContact O-N 3.13Å; R82-S85 PolarHBondContact O-OG 2.81Å; R82-E113 IonicContact CZ-OE2 3.83Å; R82-E113 IonicContact NH1-OE2 2.82Å; R82-E113 PolarHBondContact NH1-OE2 3.39Å; R82-F116 HydrophobicContact CB-CD2 3.96Å; R82-F116 HydrophobicContact CB-CE2 4.35Å; R82-F116 HydrophobicContact CB-CG 4.5Å; R82-F116 HydrophobicContact CG-CD2 4.37Å; R82-F116 PolarHBondContact NH2-O 3.1Å; R82-D121 HydrophobicContact CB-CB 4.21Å; R82-D121 WeakPolarHBondContact CB-OD2 3.37Å; R82-D121 IonicContact CZ-OD2 3.76Å; R82-D121 IonicContact NE-OD2 2.77Å; R82-D121 PolarHBondContact NE-OD2 3.06Å; R82-D121 IonicContact NH2-OD2 3.86Å; R82-D121 PolarHBondContact NH2-OD2 3.24Å
83E92.6Very high94.4Very high183 Ų18367 Ų6786%0.85533%0.333SS*.THydrogen-bonded Turntrans-66.7-33.7-176.9-63.3-173.7164.200113.7T81T81-E83 VanDerWaalsContact C-N 3.25Å; T81-E83 PolarHBondContact O-N 2.99Å; T81-E83 PolarHBondContact OG1-N 3.43Å
84N93.8Very high94.3Very high38 Ų3865.1 Ų65.120%0.20332%0.321CS..THydrogen-bonded Turntrans-107.412-176.677.916.2000113.9L79 M80 T81 R82 F86 N242L79-N84 PolarHBondContact O-ND2 3.44Å; L79-N84 VanDerWaalsContact O-ND2 3.12Å; M80-N84 VanDerWaalsContact CA-OD1 3.27Å; M80-N84 WeakPolarHBondContact CA-OD1 3.43Å; T81-N84 PolarHBondContact N-OD1 2.75Å; T81-N84 PolarHBondContact O-N 3.49Å; T81-N84 PolarHBondContact O-OD1 2.93Å; T81-N84 PolarHBondContact OG1-N 3.41Å; T81-N84 PolarHBondContact OG1-OD1 3.12Å; R82-N84 PolarHBondContact O-N 3.13Å; N84-F86 VanDerWaalsContact C-N 3.27Å; N84-F86 PolarHBondContact O-N 3.45Å; N84-N242 PolarHBondContact OD1-ND2 3.31Å
85S95.2Very high94.3Very high17 Ų1761.7 Ų61.712%0.11930%0.303CS..  trans-76.3-10.7-178.862.20000114.4T81 R82 L87T81-S85 VanDerWaalsContact O-CB 3.26Å; T81-S85 WeakPolarHBondContact O-CB 3.35Å; T81-S85 PolarHBondContact O-N 2.92Å; T81-S85 VanDerWaalsContact O-N 3.08Å; R82-S85 PolarHBondContact O-OG 2.81Å; S85-L87 PolarHBondContact O-N 2.79Å
86F94.6Very high93.9Very high171 Ų17158.3 Ų58.375%0.7528%0.276SS*.PPolyproline II helixtrans-63122.7176.4177.8-96.5000110.9N84N84-F86 VanDerWaalsContact C-N 3.27Å; N84-F86 PolarHBondContact O-N 3.45Å
87L94.9Very high93Very high16 Ų1661.5 Ų61.58%0.08429%0.29CS..PPolyproline II helixtrans-102.4131.3175.1-56.5-177.2000109.7S85 T91 F92 W95 F108 P243 T244S85-L87 PolarHBondContact O-N 2.79Å; L87-T91 HydrophobicContact CD2-CG2 4.21Å; L87-F92 HydrophobicContact CB-CB 4.11Å; L87-F92 HydrophobicContact CD1-CD2 4.03Å; L87-W95 HydrophobicContact CD1-CE3 4.45Å; L87-F108 HydrophobicContact CD1-CD1 4.33Å; L87-F108 HydrophobicContact CD1-CE1 3.67Å; L87-F108 HydrophobicContact CD1-CE2 4.07Å; L87-F108 HydrophobicContact CD1-CZ 3.53Å; L87-F108 HydrophobicContact CG-CE1 3.83Å; L87-F108 HydrophobicContact CG-CZ 4.03Å; L87-P243 HydrophobicContact CD1-CB 3.96Å; L87-P243 HydrophobicContact CD1-CG 4.21Å; L87-P243 HydrophobicContact CD2-CB 3.91Å; L87-P243 HydrophobicContact CD2-CG 4.34Å; L87-T244 WeakPolarHBondContact CD2-OG1 3.32Å
88S95.4Very high91.9Very high48 Ų4865.2 Ų65.234%0.33630%0.3SS..PPolyproline II helixtrans-60.3154.1169.171.40000110.2E90 T91 F92S88-E90 PolarHBondContact O-N 2.78Å; S88-T91 PolarHBondContact O-N 3.35Å; S88-T91 WeakPolarHBondContact OG-CB 3.38Å; S88-T91 PolarHBondContact OG-N 3.05Å; S88-T91 PolarHBondContact OG-OG1 3.01Å; S88-F92 WeakPolarHBondContact O-CB 3.48Å; S88-F92 PolarHBondContact O-N 3.49Å
89E93.8Very high91.1Very high134 Ų13464.4 Ų64.463%0.62630%0.295SS*.Hα-helixtrans-55.4-38.7179.4-173.9-177.3169.900112K93E89-K93 HydrophobicContact CG-CD 4.31Å; E89-K93 WeakPolarHBondContact O-CB 3.43Å; E89-K93 VanDerWaalsContact O-CG 3.29Å; E89-K93 WeakPolarHBondContact O-CG 3.44Å; E89-K93 PolarHBondContact O-N 3.34Å; E89-K93 WeakPolarHBondContact OE1-CE 2.81Å; E89-K93 IonicContact OE1-NZ 3.52Å; E89-K93 PolarHBondContact OE1-NZ 3.16Å
90E93.9Very high90.2Very high124 Ų12464.9 Ų64.958%0.57930%0.297SS*.Hα-helixtrans-63.8-48.9175.5-171.1-166147.700111.9S88 F92 K93 W94 K247S88-E90 PolarHBondContact O-N 2.78Å; E90-F92 VanDerWaalsContact C-N 3.35Å; E90-F92 PolarHBondContact O-N 2.93Å; E90-K93 PolarHBondContact O-N 2.84Å; E90-W94 WeakPolarHBondContact O-CB 3.44Å; E90-W94 PolarHBondContact O-N 2.96Å; E90-K247 WeakPolarHBondContact OE1-CE 3.05Å; E90-K247 IonicContact OE1-NZ 3.85Å; E90-K247 PolarHBondContact OE1-NZ 3.47Å
91T95.1Very high89.5Confident10 Ų1068.8 Ų68.86%0.06133%0.325CS..Hα-helixtrans-62.8-44.2179.2-57.40000110.9L87 S88 W94 W95 K247L87-T91 HydrophobicContact CD2-CG2 4.21Å; S88-T91 PolarHBondContact O-N 3.35Å; S88-T91 WeakPolarHBondContact OG-CB 3.38Å; S88-T91 PolarHBondContact OG-N 3.05Å; S88-T91 PolarHBondContact OG-OG1 3.01Å; T91-W94 PolarHBondContact O-N 3.41Å; T91-W95 VanDerWaalsContact O-CB 3.25Å; T91-W95 WeakPolarHBondContact O-CB 3.27Å; T91-W95 PolarHBondContact O-N 2.87Å; T91-K247 HydrophobicContact CG2-CB 4.41Å; T91-K247 HydrophobicContact CG2-CD 4.15Å
92F93.1Very high89Confident59 Ų5969.9 Ų69.926%0.25933%0.329SS..Hα-helixtrans-63.6-43.2178.7-175.7-109.8000112L87 S88 E90 W95 Q96 F108L87-F92 HydrophobicContact CB-CB 4.11Å; L87-F92 HydrophobicContact CD1-CD2 4.03Å; S88-F92 WeakPolarHBondContact O-CB 3.48Å; S88-F92 PolarHBondContact O-N 3.49Å; E90-F92 VanDerWaalsContact C-N 3.35Å; E90-F92 PolarHBondContact O-N 2.93Å; F92-W95 HydrophobicContact CD2-CE3 4.41Å; F92-W95 HydrophobicContact CE2-CZ3 4.47Å; F92-W95 PolarHBondContact O-N 2.94Å; F92-Q96 VanDerWaalsContact CE2-OE1 3.23Å; F92-Q96 VanDerWaalsContact O-CB 3.24Å; F92-Q96 WeakPolarHBondContact O-CB 3.17Å; F92-Q96 PolarHBondContact O-N 2.72Å; F92-F108 HydrophobicContact CE2-CB 3.64Å; F92-F108 HydrophobicContact CE2-CD1 4.48Å; F92-F108 HydrophobicContact CE2-CD2 4.35Å; F92-F108 AromaticContact CE2-CG 3.92Å; F92-F108 HydrophobicContact CE2-CG 3.92Å; F92-F108 HydrophobicContact CZ-CB 4.17Å
93K91.6Very high88.4Confident87 Ų8777.9 Ų77.938%0.37836%0.359SS..Hα-helixtrans-63.1-47.2174.7-77.7177-174.9169.60111.6E89 E90 W95 Q97E89-K93 HydrophobicContact CG-CD 4.31Å; E89-K93 WeakPolarHBondContact O-CB 3.43Å; E89-K93 VanDerWaalsContact O-CG 3.29Å; E89-K93 WeakPolarHBondContact O-CG 3.44Å; E89-K93 PolarHBondContact O-N 3.34Å; E89-K93 WeakPolarHBondContact OE1-CE 2.81Å; E89-K93 IonicContact OE1-NZ 3.52Å; E89-K93 PolarHBondContact OE1-NZ 3.16Å; E90-K93 PolarHBondContact O-N 2.84Å; K93-W95 PolarHBondContact O-N 2.82Å; K93-Q97 WeakPolarHBondContact O-CA 3.41Å; K93-Q97 WeakPolarHBondContact O-CB 3.48Å; K93-Q97 PolarHBondContact O-N 2.95Å
94W92.9Very high88.2Confident30 Ų3078 Ų7811%0.11436%0.36CS..Iπ-helixtrans-55.8-52.2175.3177.892000110.7E90 T91 W98 L99 F246 K247 H250E90-W94 WeakPolarHBondContact O-CB 3.44Å; E90-W94 PolarHBondContact O-N 2.96Å; T91-W94 PolarHBondContact O-N 3.41Å; W94-W98 WeakPolarHBondContact O-CA 3.33Å; W94-W98 VanDerWaalsContact O-CB 3.22Å; W94-W98 WeakPolarHBondContact O-CB 3.41Å; W94-W98 PolarHBondContact O-N 3.11Å; W94-L99 HydrophobicContact CE3-CD1 4.49Å; W94-L99 HydrophobicContact CH2-CD1 4.19Å; W94-L99 HydrophobicContact CH2-CD2 3.79Å; W94-L99 HydrophobicContact CH2-CG 4.26Å; W94-L99 HydrophobicContact CZ2-CD2 4.04Å; W94-L99 HydrophobicContact CZ3-CD1 3.89Å; W94-L99 HydrophobicContact CZ3-CD2 4.26Å; W94-L99 HydrophobicContact CZ3-CG 4.24Å; W94-F246 AromaticContact CH2-CD2 3.92Å; W94-F246 HydrophobicContact CH2-CD2 3.92Å; W94-F246 HydrophobicContact CH2-CE2 4.24Å; W94-F246 HydrophobicContact CH2-CG 4.16Å; W94-F246 HydrophobicContact CZ3-CB 4.45Å; W94-F246 HydrophobicContact CZ3-CG 4.32Å; W94-K247 HydrophobicContact CB-CD 4.11Å; W94-K247 HydrophobicContact CD2-CB 4.13Å; W94-K247 HydrophobicContact CD2-CD 4.13Å; W94-K247 HydrophobicContact CD2-CG 3.91Å; W94-K247 HydrophobicContact CE3-CB 3.68Å; W94-K247 HydrophobicContact CE3-CD 4.23Å; W94-K247 HydrophobicContact CE3-CG 3.99Å; W94-K247 HydrophobicContact CG-CD 4.06Å; W94-K247 HydrophobicContact CG-CG 4.26Å; W94-K247 HydrophobicContact CH2-CB 4.24Å; W94-K247 HydrophobicContact CZ3-CB 3.74Å; W94-K247 HydrophobicContact CZ3-CG 4.43Å; W94-H250 AromaticContact CE2-ND1 3.61Å; W94-H250 HydrophobicContact CH2-CB 4.22Å; W94-H250 HydrophobicContact CZ2-CB 3.66Å; W94-H250 AromaticContact CZ2-CG 3.73Å; W94-H250 AromaticContact CZ2-ND1 3.37Å; W94-H250 WeakPolarHBondContact CZ2-ND1 3.16Å; W94-H250 AromaticContact NE1-CE1 3.93Å; W94-H250 AromaticContact NE1-ND1 3.29Å; W94-H250 PolarHBondContact NE1-ND1 3.24Å
95W93.2Very high88Confident0 Ų078.2 Ų78.20%036%0.363CS..Iπ-helixtrans-65.4-53.4-176.6-179.178.3000112.5L87 T91 F92 K93 L99 F108 P202 K204 T205 P243L87-W95 HydrophobicContact CD1-CE3 4.45Å; T91-W95 VanDerWaalsContact O-CB 3.25Å; T91-W95 WeakPolarHBondContact O-CB 3.27Å; T91-W95 PolarHBondContact O-N 2.87Å; F92-W95 HydrophobicContact CD2-CE3 4.41Å; F92-W95 HydrophobicContact CE2-CZ3 4.47Å; F92-W95 PolarHBondContact O-N 2.94Å; K93-W95 PolarHBondContact O-N 2.82Å; W95-L99 HydrophobicContact CB-CD1 4.3Å; W95-L99 HydrophobicContact CG-CD1 3.92Å; W95-L99 VanDerWaalsContact O-CB 3.3Å; W95-L99 WeakPolarHBondContact O-CB 3.43Å; W95-L99 WeakPolarHBondContact O-CG 3.39Å; W95-F108 AromaticContact CH2-CD2 3.96Å; W95-F108 HydrophobicContact CH2-CD2 3.96Å; W95-F108 AromaticContact CH2-CE2 3.8Å; W95-F108 HydrophobicContact CH2-CE2 3.8Å; W95-F108 AromaticContact CZ3-CD2 3.68Å; W95-F108 HydrophobicContact CZ3-CD2 3.68Å; W95-F108 AromaticContact CZ3-CE2 3.78Å; W95-F108 HydrophobicContact CZ3-CE2 3.78Å; W95-P202 HydrophobicContact CZ2-CB 4.06Å; W95-P202 HydrophobicContact CZ2-CG 4.41Å; W95-P202 PolarHBondContact NE1-O 2.92Å; W95-K204 VanDerWaalsContact CH2-C 3.41Å; W95-T205 WeakPolarHBondContact CZ3-OG1 3.42Å; W95-P243 HydrophobicContact CD2-CB 4.22Å; W95-P243 HydrophobicContact CD2-CG 4.43Å; W95-P243 HydrophobicContact CG-CB 3.93Å; W95-P243 HydrophobicContact CZ2-CG 4.45Å
96Q83.8Confident87.9Confident27 Ų2779 Ų7913%0.12637%0.371CS..Iπ-helixtrans-76.6-36.9-173.6-173.9172.5-6700113.7F92 P105F92-Q96 VanDerWaalsContact CE2-OE1 3.23Å; F92-Q96 VanDerWaalsContact O-CB 3.24Å; F92-Q96 WeakPolarHBondContact O-CB 3.17Å; F92-Q96 PolarHBondContact O-N 2.72Å; Q96-P105 VanDerWaalsContact CD-CG 3.49Å; Q96-P105 HydrophobicContact CG-CB 4.48Å; Q96-P105 HydrophobicContact CG-CG 4.21Å
97Q74.6Confident88Confident106 Ų10674.6 Ų74.650%0.49536%0.355SS..Iπ-helixtrans-95.4-33.1-171.9-55.6-179.2-20.600112.1K93K93-Q97 WeakPolarHBondContact O-CA 3.41Å; K93-Q97 WeakPolarHBondContact O-CB 3.48Å; K93-Q97 PolarHBondContact O-N 2.95Å
98W73.1Confident88Confident179 Ų17974.5 Ų74.568%0.67835%0.354SS*.Iπ-helixtrans-96.8-34.1-172.9-65.783.6000114.1W94 R259W94-W98 WeakPolarHBondContact O-CA 3.33Å; W94-W98 VanDerWaalsContact O-CB 3.22Å; W94-W98 WeakPolarHBondContact O-CB 3.41Å; W94-W98 PolarHBondContact O-N 3.11Å; W98-R259 VanDerWaalsContact O-CZ 3.29Å; W98-R259 PolarHBondContact O-NE 3.33Å; W98-R259 PolarHBondContact O-NH2 3.49Å
99L79.8Confident88Confident1 Ų176 Ų761%0.00537%0.365CS..Iπ-helixtrans-68.5-71.2179-63.9174.8000112.1W94 W95 F246 R259 Y260W94-L99 HydrophobicContact CE3-CD1 4.49Å; W94-L99 HydrophobicContact CH2-CD1 4.19Å; W94-L99 HydrophobicContact CH2-CD2 3.79Å; W94-L99 HydrophobicContact CH2-CG 4.26Å; W94-L99 HydrophobicContact CZ2-CD2 4.04Å; W94-L99 HydrophobicContact CZ3-CD1 3.89Å; W94-L99 HydrophobicContact CZ3-CD2 4.26Å; W94-L99 HydrophobicContact CZ3-CG 4.24Å; W95-L99 HydrophobicContact CB-CD1 4.3Å; W95-L99 HydrophobicContact CG-CD1 3.92Å; W95-L99 VanDerWaalsContact O-CB 3.3Å; W95-L99 WeakPolarHBondContact O-CB 3.43Å; W95-L99 WeakPolarHBondContact O-CG 3.39Å; L99-F246 HydrophobicContact CD1-CD1 4.18Å; L99-F246 HydrophobicContact CD1-CE1 3.82Å; L99-F246 HydrophobicContact CD1-CZ 4.3Å; L99-F246 HydrophobicContact CD2-CE1 4.44Å; L99-F246 HydrophobicContact CD2-CZ 4.11Å; L99-R259 PolarHBondContact O-NE 2.54Å; L99-R259 VanDerWaalsContact O-NE 3.16Å; L99-R259 PolarHBondContact O-NH2 2.79Å; L99-R259 VanDerWaalsContact O-NH2 3.11Å; L99-Y260 HydrophobicContact CB-CD1 4.33Å; L99-Y260 HydrophobicContact CD2-CD1 3.4Å; L99-Y260 VanDerWaalsContact CD2-CD1 3.4Å; L99-Y260 HydrophobicContact CD2-CD2 4.4Å; L99-Y260 HydrophobicContact CD2-CE1 4.32Å; L99-Y260 HydrophobicContact CD2-CG 3.46Å; L99-Y260 VanDerWaalsContact CD2-CG 3.46Å; L99-Y260 HydrophobicContact CG-CD1 4.49Å; L99-Y260 WeakPolarHBondContact O-CE1 3.36Å
100Q78.2Confident88.2Confident31 Ų3175.9 Ų75.915%0.14536%0.364CS..SBendtrans-140.781.2-178.5-66.2-1731.200109.4E102 F203 K204 Y260Q100-E102 PolarHBondContact O-N 3.03Å; Q100-F203 HydrophobicContact CG-CB 4.25Å; Q100-K204 HydrophobicContact CB-CB 4.43Å; Q100-K204 HydrophobicContact CB-CD 4.26Å; Q100-Y260 PolarHBondContact NE2-OH 3.3Å
101S80.5Confident88.4Confident89 Ų8970.2 Ų70.262%0.62234%0.338SS*.  trans-48110.4-177.1-177.80000112.7
102E84.7Confident88.5Confident33 Ų3369.9 Ų69.915%0.15434%0.336CS..  trans-84.1135.5172.1-65.7-179.798.500109.9Q100 P105 K204 T205 L206Q100-E102 PolarHBondContact O-N 3.03Å; E102-P105 HydrophobicContact CB-CB 3.95Å; E102-P105 HydrophobicContact CB-CG 4.24Å; E102-K204 HydrophobicContact CG-CB 3.87Å; E102-K204 HydrophobicContact CG-CD 4.35Å; E102-T205 VanDerWaalsContact OE2-CB 3.31Å; E102-T205 WeakPolarHBondContact OE2-CB 3.41Å; E102-T205 PolarHBondContact OE2-N 2.98Å; E102-T205 PolarHBondContact OE2-OG1 3.07Å; E102-L206 WeakPolarHBondContact OE1-CB 3.37Å; E102-L206 PolarHBondContact OE1-N 2.82Å
103R82.3Confident88.7Confident253 Ų25371 Ų7196%0.95534%0.341SS*.SBendtrans-66.7-41.1179.8-70.7-175.5178.8173.90.6112.5
104Q86.9Confident89Confident186 Ų18671.4 Ų71.487%0.86935%0.345SS*.SBendtrans-144.574.7-177.2-69-175.2-16.600108.9
105P90.4Very high89.3Confident42 Ų4270 Ų7027%0.27334%0.339SS..  trans-67.1145.8179.223.8-26.3000110.6Q96 E102Q96-P105 VanDerWaalsContact CD-CG 3.49Å; Q96-P105 HydrophobicContact CG-CB 4.48Å; Q96-P105 HydrophobicContact CG-CG 4.21Å; E102-P105 HydrophobicContact CB-CB 3.95Å; E102-P105 HydrophobicContact CB-CG 4.24Å
106A94.1Very high89.5Confident33 Ų3370.4 Ų70.427%0.27334%0.342SS..  trans-65.8166170.500000111.1F108 V111 T205A106-F108 PolarHBondContact O-N 3.31Å; A106-F108 VanDerWaalsContact O-N 3.13Å; A106-V111 HydrophobicContact CB-CG2 3.78Å; A106-T205 HydrophobicContact CB-CG2 4.23Å
107N95.7Very high90.1Very high79 Ų7976.2 Ų76.242%0.42237%0.369SS..  trans-66.7114.3174.2-176.2-27000109.7S109 E110 V111N107-S109 PolarHBondContact O-N 2.71Å; N107-S109 PolarHBondContact OD1-N 2.94Å; N107-S109 VanDerWaalsContact OD1-N 3.12Å; N107-E110 HydrophobicContact CB-CB 4.07Å; N107-E110 HydrophobicContact CB-CG 3.93Å; N107-E110 PolarHBondContact ND2-OE1 3.18Å; N107-E110 PolarHBondContact O-N 2.94Å; N107-V111 WeakPolarHBondContact O-CG2 3.33Å; N107-V111 PolarHBondContact O-N 2.72Å
108F94.8Very high91.2Very high13 Ų1372.8 Ų72.86%0.05736%0.355CS..Hα-helixtrans-56.9-45.1-175.9178.8-98.6000112.9M80 L87 F92 W95 A106 E110 V111 V112 L208M80-F108 HydrophobicContact SD-CZ 4.39Å; L87-F108 HydrophobicContact CD1-CD1 4.33Å; L87-F108 HydrophobicContact CD1-CE1 3.67Å; L87-F108 HydrophobicContact CD1-CE2 4.07Å; L87-F108 HydrophobicContact CD1-CZ 3.53Å; L87-F108 HydrophobicContact CG-CE1 3.83Å; L87-F108 HydrophobicContact CG-CZ 4.03Å; F92-F108 HydrophobicContact CE2-CB 3.64Å; F92-F108 HydrophobicContact CE2-CD1 4.48Å; F92-F108 HydrophobicContact CE2-CD2 4.35Å; F92-F108 AromaticContact CE2-CG 3.92Å; F92-F108 HydrophobicContact CE2-CG 3.92Å; F92-F108 HydrophobicContact CZ-CB 4.17Å; W95-F108 AromaticContact CH2-CD2 3.96Å; W95-F108 HydrophobicContact CH2-CD2 3.96Å; W95-F108 AromaticContact CH2-CE2 3.8Å; W95-F108 HydrophobicContact CH2-CE2 3.8Å; W95-F108 AromaticContact CZ3-CD2 3.68Å; W95-F108 HydrophobicContact CZ3-CD2 3.68Å; W95-F108 AromaticContact CZ3-CE2 3.78Å; W95-F108 HydrophobicContact CZ3-CE2 3.78Å; A106-F108 PolarHBondContact O-N 3.31Å; A106-F108 VanDerWaalsContact O-N 3.13Å; F108-E110 VanDerWaalsContact C-N 3.33Å; F108-E110 PolarHBondContact O-N 3.31Å; F108-V111 PolarHBondContact O-N 2.86Å; F108-V112 HydrophobicContact CD1-CG2 4.17Å; F108-V112 HydrophobicContact CD2-CG2 4.41Å; F108-V112 HydrophobicContact CE1-CG2 3.73Å; F108-V112 HydrophobicContact CE2-CG2 4.01Å; F108-V112 HydrophobicContact CG-CG2 4.48Å; F108-V112 HydrophobicContact CZ-CG2 3.65Å; F108-V112 WeakPolarHBondContact O-CG2 3.23Å; F108-V112 PolarHBondContact O-N 2.95Å; F108-L208 HydrophobicContact CD2-CD1 4.32Å; F108-L208 HydrophobicContact CE2-CD1 3.76Å
109S95.6Very high92.4Very high81 Ų8164.6 Ų64.657%0.56632%0.324SS*.Hα-helixtrans-62.9-39.8179.7-61.30000112.2N107 V112 E113N107-S109 PolarHBondContact O-N 2.71Å; N107-S109 PolarHBondContact OD1-N 2.94Å; N107-S109 VanDerWaalsContact OD1-N 3.12Å; S109-V112 PolarHBondContact O-N 3.09Å; S109-E113 WeakPolarHBondContact O-CG 3.3Å; S109-E113 PolarHBondContact O-N 3.36Å
110E97.5Very high93.2Very high131 Ų13166.3 Ų66.361%0.61234%0.335SS*.Hα-helixtrans-66.6-42.2177.5-67170.6-154.900111.4N107 F108 V112 E113 E114N107-E110 HydrophobicContact CB-CB 4.07Å; N107-E110 HydrophobicContact CB-CG 3.93Å; N107-E110 PolarHBondContact ND2-OE1 3.18Å; N107-E110 PolarHBondContact O-N 2.94Å; F108-E110 VanDerWaalsContact C-N 3.33Å; F108-E110 PolarHBondContact O-N 3.31Å; E110-V112 VanDerWaalsContact C-N 3.35Å; E110-V112 PolarHBondContact O-N 2.89Å; E110-E113 PolarHBondContact O-N 2.83Å; E110-E114 PolarHBondContact O-N 3.18Å
111V97.9Very high93.8Very high5 Ų567.5 Ų67.53%0.0334%0.343CS..Hα-helixtrans-64.2-39.7176.9172.70000111.4A106 N107 F108 E114 L115 T205 L208 Q209 I212A106-V111 HydrophobicContact CB-CG2 3.78Å; N107-V111 WeakPolarHBondContact O-CG2 3.33Å; N107-V111 PolarHBondContact O-N 2.72Å; F108-V111 PolarHBondContact O-N 2.86Å; V111-E114 PolarHBondContact O-N 2.96Å; V111-L115 VanDerWaalsContact O-CB 3.27Å; V111-L115 WeakPolarHBondContact O-CB 3.32Å; V111-L115 PolarHBondContact O-N 3.01Å; V111-T205 HydrophobicContact CB-CG2 4.3Å; V111-T205 HydrophobicContact CG1-CG2 4.33Å; V111-T205 HydrophobicContact CG2-CG2 3.98Å; V111-L208 HydrophobicContact CG1-CB 3.67Å; V111-L208 HydrophobicContact CG1-CD1 4.39Å; V111-Q209 HydrophobicContact CB-CG 4.46Å; V111-Q209 HydrophobicContact CG1-CG 3.76Å; V111-Q209 HydrophobicContact CG2-CG 3.75Å; V111-I212 HydrophobicContact CG1-CD1 4.3Å
112V97.4Very high94.1Very high2 Ų268.3 Ų68.31%0.01234%0.34CS..Hα-helixtrans-66-42.2176.9168.30000111.6M80 F108 S109 E110 E114 L115 F116 L208M80-V112 HydrophobicContact CE-CG2 4.12Å; F108-V112 HydrophobicContact CD1-CG2 4.17Å; F108-V112 HydrophobicContact CD2-CG2 4.41Å; F108-V112 HydrophobicContact CE1-CG2 3.73Å; F108-V112 HydrophobicContact CE2-CG2 4.01Å; F108-V112 HydrophobicContact CG-CG2 4.48Å; F108-V112 HydrophobicContact CZ-CG2 3.65Å; F108-V112 WeakPolarHBondContact O-CG2 3.23Å; F108-V112 PolarHBondContact O-N 2.95Å; S109-V112 PolarHBondContact O-N 3.09Å; E110-V112 VanDerWaalsContact C-N 3.35Å; E110-V112 PolarHBondContact O-N 2.89Å; V112-E114 VanDerWaalsContact C-N 3.33Å; V112-E114 PolarHBondContact O-N 2.88Å; V112-L115 WeakPolarHBondContact O-CB 3.26Å; V112-L115 PolarHBondContact O-N 2.76Å; V112-F116 HydrophobicContact CG1-CD2 3.7Å; V112-F116 HydrophobicContact CG1-CE2 3.63Å; V112-F116 WeakPolarHBondContact O-CD2 3.47Å; V112-F116 PolarHBondContact O-N 2.91Å; V112-F116 VanDerWaalsContact O-N 3.11Å; V112-L208 HydrophobicContact CG2-CD1 4.32Å
113E97.4Very high94Very high82 Ų8271.8 Ų71.838%0.38336%0.363SS..Hα-helixtrans-64.1-38175.8-75-57.7145.600112.3R82 S109 E110 Q117R82-E113 IonicContact CZ-OE2 3.83Å; R82-E113 IonicContact NH1-OE2 2.82Å; R82-E113 PolarHBondContact NH1-OE2 3.39Å; S109-E113 WeakPolarHBondContact O-CG 3.3Å; S109-E113 PolarHBondContact O-N 3.36Å; E110-E113 PolarHBondContact O-N 2.83Å; E113-Q117 WeakPolarHBondContact O-CG 3.42Å; E113-Q117 PolarHBondContact O-NE2 3.42Å
114E98Very high93.9Very high96 Ų9663.9 Ų63.945%0.44934%0.339SS..Hα-helixtrans-67.3-41.6173.2-171.6-177.817400111.5E110 V111 V112 F116 Q117 I212E110-E114 PolarHBondContact O-N 3.18Å; V111-E114 PolarHBondContact O-N 2.96Å; V112-E114 VanDerWaalsContact C-N 3.33Å; V112-E114 PolarHBondContact O-N 2.88Å; E114-F116 PolarHBondContact O-N 2.92Å; E114-Q117 WeakPolarHBondContact O-CB 3.43Å; E114-Q117 PolarHBondContact O-N 3.41Å; E114-Q117 VanDerWaalsContact O-N 3.11Å; E114-I212 HydrophobicContact CB-CD1 4.05Å; E114-I212 HydrophobicContact CG-CD1 3.96Å; E114-I212 HydrophobicContact CG-CG2 4.33Å
115L98.4Very high93.8Very high0 Ų056.8 Ų56.80%031%0.305CS..Hα-helixtrans-56.9-51.4180-179.764.7000111.7M80 V111 V112 Q117 V118 I119 L208 L211 I212 I240M80-L115 HydrophobicContact CE-CD2 4Å; V111-L115 VanDerWaalsContact O-CB 3.27Å; V111-L115 WeakPolarHBondContact O-CB 3.32Å; V111-L115 PolarHBondContact O-N 3.01Å; V112-L115 WeakPolarHBondContact O-CB 3.26Å; V112-L115 PolarHBondContact O-N 2.76Å; L115-Q117 PolarHBondContact O-N 2.89Å; L115-V118 WeakPolarHBondContact O-CA 3.24Å; L115-V118 WeakPolarHBondContact O-CB 3.19Å; L115-V118 PolarHBondContact O-N 2.67Å; L115-I119 HydrophobicContact CD1-CD1 3.91Å; L115-I119 HydrophobicContact CD1-CG1 4.24Å; L115-I119 HydrophobicContact CD2-CD1 4.41Å; L115-I119 HydrophobicContact CG-CD1 3.92Å; L115-I119 HydrophobicContact CG-CG1 4.16Å; L115-I119 WeakPolarHBondContact O-CG1 3.49Å; L115-I119 PolarHBondContact O-N 3.22Å; L115-I119 VanDerWaalsContact O-N 3.14Å; L115-L208 HydrophobicContact CD2-CD2 3.91Å; L115-L211 HydrophobicContact CD1-CD2 3.89Å; L115-L211 HydrophobicContact CD1-CG 4.43Å; L115-I212 HydrophobicContact CB-CD1 4.02Å; L115-I212 HydrophobicContact CB-CG1 4.23Å; L115-I212 HydrophobicContact CD1-CD1 4.39Å; L115-I212 HydrophobicContact CD1-CG1 3.78Å; L115-I240 HydrophobicContact CD1-CD1 4.46Å; L115-I240 HydrophobicContact CD2-CD1 3.98Å; L115-I240 HydrophobicContact CD2-CG1 3.86Å
116F97.7Very high93.1Very high10 Ų1059.4 Ų59.44%0.04432%0.32CS..Hα-helixtrans-77.86.9-179.5-65-56.6000114.1M80 T81 R82 V112 E114 I119 D121M80-F116 HydrophobicContact CE-CE2 3.93Å; M80-F116 HydrophobicContact CE-CZ 3.8Å; M80-F116 HydrophobicContact CG-CE2 4.48Å; M80-F116 HydrophobicContact CG-CZ 4.21Å; M80-F116 WeakPolarHBondContact O-CZ 3.22Å; T81-F116 VanDerWaalsContact C-CE2 3.48Å; R82-F116 HydrophobicContact CB-CD2 3.96Å; R82-F116 HydrophobicContact CB-CE2 4.35Å; R82-F116 HydrophobicContact CB-CG 4.5Å; R82-F116 HydrophobicContact CG-CD2 4.37Å; R82-F116 PolarHBondContact NH2-O 3.1Å; V112-F116 HydrophobicContact CG1-CD2 3.7Å; V112-F116 HydrophobicContact CG1-CE2 3.63Å; V112-F116 WeakPolarHBondContact O-CD2 3.47Å; V112-F116 PolarHBondContact O-N 2.91Å; V112-F116 VanDerWaalsContact O-N 3.11Å; E114-F116 PolarHBondContact O-N 2.92Å; F116-I119 HydrophobicContact CD1-CD1 4.39Å; F116-I119 HydrophobicContact CD1-CG1 4.04Å; F116-I119 HydrophobicContact CE1-CD1 4.32Å; F116-I119 HydrophobicContact CE1-CG1 4.45Å; F116-D121 HydrophobicContact CB-CB 4.32Å; F116-D121 HydrophobicContact CD1-CB 3.59Å; F116-D121 HydrophobicContact CE1-CB 3.95Å; F116-D121 HydrophobicContact CG-CB 3.95Å
117Q97.4Very high92.6Very high149 Ų14963.1 Ų63.170%0.69634%0.335SS*.Hα-helixtrans-88.1-18.5159.9-67.7168.228.400112.1E113 E114 L115E113-Q117 WeakPolarHBondContact O-CG 3.42Å; E113-Q117 PolarHBondContact O-NE2 3.42Å; E114-Q117 WeakPolarHBondContact O-CB 3.43Å; E114-Q117 PolarHBondContact O-N 3.41Å; E114-Q117 VanDerWaalsContact O-N 3.11Å; L115-Q117 PolarHBondContact O-N 2.89Å
118V97.8Very high92Very high34 Ų3461.2 Ų61.221%0.20633%0.33CS..Hα-helixtrans-100.4-31-176.8179.90000112.6L115 I212 L215 T216 K235L115-V118 WeakPolarHBondContact O-CA 3.24Å; L115-V118 WeakPolarHBondContact O-CB 3.19Å; L115-V118 PolarHBondContact O-N 2.67Å; V118-I212 HydrophobicContact CG2-CG2 4.3Å; V118-L215 HydrophobicContact CG1-CB 4.25Å; V118-L215 HydrophobicContact CG1-CD1 4.37Å; V118-T216 HydrophobicContact CG1-CG2 3.98Å; V118-T216 HydrophobicContact CG2-CG2 4.29Å; V118-K235 HydrophobicContact CG1-CD 4.47Å
119I97.6Very high91.5Very high7 Ų762.5 Ų62.54%0.03634%0.341CS..SBendtrans-128.8157.9-177.268.3167.9000110.4L115 F116 L211 L215 V238 I240L115-I119 HydrophobicContact CD1-CD1 3.91Å; L115-I119 HydrophobicContact CD1-CG1 4.24Å; L115-I119 HydrophobicContact CD2-CD1 4.41Å; L115-I119 HydrophobicContact CG-CD1 3.92Å; L115-I119 HydrophobicContact CG-CG1 4.16Å; L115-I119 WeakPolarHBondContact O-CG1 3.49Å; L115-I119 PolarHBondContact O-N 3.22Å; L115-I119 VanDerWaalsContact O-N 3.14Å; F116-I119 HydrophobicContact CD1-CD1 4.39Å; F116-I119 HydrophobicContact CD1-CG1 4.04Å; F116-I119 HydrophobicContact CE1-CD1 4.32Å; F116-I119 HydrophobicContact CE1-CG1 4.45Å; I119-L211 HydrophobicContact CD1-CD2 4.49Å; I119-L215 HydrophobicContact CG2-CD1 3.86Å; I119-V238 HydrophobicContact CB-CB 4.13Å; I119-V238 HydrophobicContact CB-CG1 4.49Å; I119-V238 HydrophobicContact CD1-CB 4.26Å; I119-V238 HydrophobicContact CD1-CG1 3.83Å; I119-V238 HydrophobicContact CG2-CB 3.77Å; I119-V238 HydrophobicContact CG2-CG1 3.99Å; I119-V238 HydrophobicContact CG2-CG2 4.15Å; I119-I240 HydrophobicContact CD1-CD1 3.73Å; I119-I240 HydrophobicContact CD1-CG1 3.71Å
120P95.9Very high91.2Very high37 Ų3761.3 Ų61.324%0.2433%0.331CS..  trans-67.9153.3176.628.2-34.9000112.4K235P120-K235 WeakPolarHBondContact CD-O 3.08Å
121D91.4Very high90.8Very high56 Ų5662.2 Ų62.230%0.29934%0.335SS..  trans-113.121.9174.553.6-5000113.1T81 R82 F116T81-D121 WeakPolarHBondContact CB-O 3.49Å; T81-D121 VanDerWaalsContact CG2-O 3.32Å; T81-D121 WeakPolarHBondContact CG2-O 3.44Å; R82-D121 HydrophobicContact CB-CB 4.21Å; R82-D121 WeakPolarHBondContact CB-OD2 3.37Å; R82-D121 IonicContact CZ-OD2 3.76Å; R82-D121 IonicContact NE-OD2 2.77Å; R82-D121 PolarHBondContact NE-OD2 3.06Å; R82-D121 IonicContact NH2-OD2 3.86Å; R82-D121 PolarHBondContact NH2-OD2 3.24Å; F116-D121 HydrophobicContact CB-CB 4.32Å; F116-D121 HydrophobicContact CD1-CB 3.59Å; F116-D121 HydrophobicContact CE1-CB 3.95Å; F116-D121 HydrophobicContact CG-CB 3.95Å
122D87.5Confident90.5Very high106 Ų10664 Ų6457%0.56734%0.342SS*.  trans-67.9142.2-177.4-64.5-54.1000113.6L124D122-L124 HydrophobicContact CB-CD2 3.74Å; D122-L124 HydrophobicContact CB-CG 4.37Å; D122-L124 PolarHBondContact O-N 3.36Å; D122-L124 VanDerWaalsContact O-N 3.17Å
123V82.9Confident90.3Very high105 Ų10566.3 Ų66.364%0.63636%0.358SS*.  trans-78.997167.8-177.50000109T81T81-V123 HydrophobicContact CG2-CG2 4.02Å
124L79.3Confident90.2Very high87 Ų8764 Ų6446%0.45535%0.346SS..  trans-85.9-27.3-171.6-64-173.9000115.4D122 L239D122-L124 HydrophobicContact CB-CD2 3.74Å; D122-L124 HydrophobicContact CB-CG 4.37Å; D122-L124 PolarHBondContact O-N 3.36Å; D122-L124 VanDerWaalsContact O-N 3.17Å; L124-L239 HydrophobicContact CD1-CD1 4.48Å; L124-L239 HydrophobicContact CD1-CD2 3.41Å; L124-L239 VanDerWaalsContact CD1-CD2 3.41Å; L124-L239 HydrophobicContact CG-CD2 4.37Å
125Y84.9Confident90.2Very high38 Ų3860.4 Ų60.415%0.14933%0.331CS..  trans-110.3117.8-175.2-51.4-77.3000109.6L79 F159 H181 L239 I274L79-Y125 HydrophobicContact CD1-CD2 3.58Å; L79-Y125 HydrophobicContact CD1-CE2 3.24Å; Y125-F159 AromaticContact CD1-CE2 3.91Å; Y125-F159 HydrophobicContact CD1-CE2 3.91Å; Y125-F159 HydrophobicContact CD1-CZ 4.39Å; Y125-F159 HydrophobicContact CE1-CD2 4.49Å; Y125-F159 AromaticContact CE1-CE2 3.46Å; Y125-F159 HydrophobicContact CE1-CE2 3.46Å; Y125-F159 VanDerWaalsContact CE1-CE2 3.46Å; Y125-F159 AromaticContact CE1-CZ 3.86Å; Y125-F159 HydrophobicContact CE1-CZ 3.86Å; Y125-H181 AromaticContact CE1-NE2 3.97Å; Y125-H181 AromaticContact CZ-NE2 3.66Å; Y125-H181 PolarHBondContact OH-CD2 3.34Å; Y125-H181 PolarHBondContact OH-NE2 3.33Å; Y125-L239 HydrophobicContact CE2-CD1 4.04Å; Y125-L239 WeakPolarHBondContact OH-CD1 3.48Å; Y125-I274 HydrophobicContact CD1-CB 4.16Å; Y125-I274 HydrophobicContact CD1-CD1 4.42Å; Y125-I274 HydrophobicContact CD2-CG2 4.06Å; Y125-I274 HydrophobicContact CE1-CD1 4.21Å; Y125-I274 HydrophobicContact CG-CB 4.01Å; Y125-I274 HydrophobicContact CG-CG2 3.96Å
126V76.8Confident90.2Very high97 Ų9760.4 Ų60.459%0.58833%0.331SS*.PPolyproline II helixtrans-85.4152169.9-62.80000110.3R132V126-R132 PolarHBondContact O-NH2 3.26Å
127D82.1Confident90.3Very high111 Ų11160 Ų6059%0.59433%0.329SS*.PPolyproline II helixtrans-56.4166.4177.1-64-23.1000112.6S129 R132D127-S129 PolarHBondContact O-N 2.9Å; D127-R132 VanDerWaalsContact C-NH2 3.28Å; D127-R132 PolarHBondContact O-NH2 3.39Å
128A83.6Confident90.4Very high38 Ų3852.9 Ų52.931%0.31430%0.296SS..PPolyproline II helixtrans-54.1135171.900000109.9P52 C53 A60P52-A128 CarbonylContact O-C 3.34Å; P52-A128 VanDerWaalsContact O-CB 3.27Å; P52-A128 WeakPolarHBondContact O-CB 3.39Å; C53-A128 HydrophobicContact CB-CB 4.49Å; A60-A128 HydrophobicContact CB-CB 4.07Å
129S85.6Confident90.4Very high41 Ų4151.3 Ų51.329%0.28729%0.286SS..  trans-133.1146.2175.283.80000109.5P52 C53 D127 E131 R132P52-S129 CarbonylContact O-C 3.44Å; P52-S129 PolarHBondContact O-N 2.8Å; C53-S129 WeakPolarHBondContact CA-O 3.43Å; D127-S129 PolarHBondContact O-N 2.9Å; S129-E131 PolarHBondContact O-N 2.77Å; S129-R132 PolarHBondContact O-N 3.08Å
130P88.3Confident90.4Very high55 Ų5551.1 Ų51.136%0.35729%0.286SS..THydrogen-bonded Turntrans-67.10.9-175.9-1930000116K50 G51K50-P130 HydrophobicContact CB-CB 3.45Å; K50-P130 VanDerWaalsContact CB-CB 3.45Å; K50-P130 HydrophobicContact CB-CG 4.08Å; K50-P130 HydrophobicContact CD-CB 3.81Å; K50-P130 HydrophobicContact CG-CB 4.04Å; G51-P130 WeakPolarHBondContact O-CB 3.49Å; G51-P130 VanDerWaalsContact O-CG 3.27Å; G51-P130 WeakPolarHBondContact O-CG 3.23Å
131E88.8Confident90.4Very high150 Ų15050 Ų5070%0.70128%0.278SS*.THydrogen-bonded Turntrans-107.1-10.6-179.9-60.7-179.5167.100111.8K50 S129K50-E131 IonicContact NZ-OE1 3.75Å; K50-E131 PolarHBondContact NZ-OE1 3.43Å; S129-E131 PolarHBondContact O-N 2.77Å
132R91.6Very high90.6Very high42 Ų4247.9 Ų47.916%0.15827%0.267CS..  trans-115138.6-175.7-177.6177.464.281.1-5.1110.9S54 V126 D127 S129 D276S54-R132 PolarHBondContact N-O 3.39Å; S54-R132 PolarHBondContact OG-O 3.35Å; V126-R132 PolarHBondContact O-NH2 3.26Å; D127-R132 VanDerWaalsContact C-NH2 3.28Å; D127-R132 PolarHBondContact O-NH2 3.39Å; S129-R132 PolarHBondContact O-N 3.08Å; R132-D276 IonicContact CZ-OD1 2.84Å; R132-D276 IonicContact CZ-OD2 2.68Å; R132-D276 VanDerWaalsContact CZ-OD2 3.24Å; R132-D276 IonicContact NE-OD2 2.7Å; R132-D276 IonicContact NH1-OD1 3.3Å; R132-D276 PolarHBondContact NH1-OD1 3.32Å; R132-D276 VanDerWaalsContact NH1-OD1 3.14Å; R132-D276 IonicContact NH1-OD2 3.27Å; R132-D276 PolarHBondContact NH1-OD2 2.97Å; R132-D276 IonicContact NH2-OD1 3.05Å; R132-D276 PolarHBondContact NH2-OD1 3.39Å; R132-D276 VanDerWaalsContact NH2-OD1 3.07Å; R132-D276 IonicContact NH2-OD2 3.47Å
133C94.3Very high90.9Very high52 Ų5243 Ų4335%0.35124%0.242SC..  trans-128.9106.4164.4178.20000107.7S54 C55 D276S54-C133 WeakPolarHBondContact OG-CB 3.24Å; S54-C133 PolarHBondContact OG-N 3.47Å; C55-C133 WeakPolarHBondContact CA-SG 3.49Å; C55-C133 HydrophobicContact CB-CB 4.01Å; C55-C133 WeakPolarHBondContact CB-SG 3.42Å; C55-C133 WeakPolarHBondContact SG-CA 3.44Å; C55-C133 WeakPolarHBondContact SG-CB 3.35Å; C55-C133 CovalentContact SG-SG 2.03Å; C55-C133 PolarHBondContact SG-SG 2.97Å; C133-D276 WeakPolarHBondContact CA-OD2 3.28Å
134R95.6Very high91.4Very high34 Ų3438 Ų3813%0.12821%0.212CC..  trans-103.9110.8174.2-179.5-172.7-72.9149.84.4108.9D158 F159 I274 D276 E277R134-D158 HydrophobicContact CG-CB 4.4Å; R134-F159 VanDerWaalsContact CD-CE2 3.42Å; R134-F159 HydrophobicContact CG-CD2 4.26Å; R134-F159 HydrophobicContact CG-CE2 4.31Å; R134-I274 WeakPolarHBondContact CD-O 3.36Å; R134-I274 PolarHBondContact NH1-O 3.13Å; R134-D276 PolarHBondContact N-OD2 2.75Å; R134-D276 PolarHBondContact O-N 2.97Å; R134-E277 PolarHBondContact O-N 3.26Å; R134-E277 VanDerWaalsContact O-N 3.14Å
135S97.4Very high92.3Very high19 Ų1933.9 Ų33.913%0.13319%0.191CC..EExtended strand (participates in β ladder)trans-88.6136.2174.962.50000111.1C157 D158 F159 E277S135-C157 WeakPolarHBondContact OG-CA 3.33Å; S135-D158 PolarHBondContact N-OD2 3.35Å; S135-D158 WeakPolarHBondContact O-CB 3.41Å; S135-D158 PolarHBondContact O-N 3.48Å; S135-D158 VanDerWaalsContact O-N 3.07Å; S135-D158 PolarHBondContact OG-N 2.83Å; S135-D158 VanDerWaalsContact OG-N 3.07Å; S135-D158 PolarHBondContact OG-OD2 3.45Å; S135-F159 PolarHBondContact O-N 2.79Å; S135-E277 CarbonylContact C-O 3.56Å; S135-E277 WeakPolarHBondContact CA-O 3.22Å
136C98.5Very high92.7Very high1 Ų134.5 Ų34.51%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-128.6132.6-179.4-66.80000111.8F159 C275 E277 V278 S279C136-F159 CarbonylContact C-O 3.59Å; C136-F159 VanDerWaalsContact CA-O 3.3Å; C136-F159 WeakPolarHBondContact CA-O 3.24Å; C136-F159 HydrophobicContact CB-CB 4.47Å; C136-C275 HydrophobicContact CB-CB 3.63Å; C136-C275 WeakPolarHBondContact CB-SG 3.46Å; C136-C275 WeakPolarHBondContact SG-CB 3.27Å; C136-C275 CovalentContact SG-SG 1.99Å; C136-C275 PolarHBondContact SG-SG 3.38Å; C136-E277 PolarHBondContact N-O 2.89Å; C136-V278 HydrophobicContact CB-CG2 4.45Å; C136-V278 WeakPolarHBondContact O-CA 3.29Å; C136-S279 PolarHBondContact O-N 3.41Å
137A98.9Very high93.6Very high0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-100.6119.4166.100000109.4V139 I154 C157 F159 I160 I161 S279 F281A137-V139 HydrophobicContact CB-CG2 4.4Å; A137-I154 HydrophobicContact CB-CG2 4.12Å; A137-C157 HydrophobicContact CB-CB 4.03Å; A137-F159 PolarHBondContact N-O 3.19Å; A137-I160 HydrophobicContact CB-CG1 4.39Å; A137-I160 WeakPolarHBondContact O-CA 3.4Å; A137-I161 PolarHBondContact O-N 2.69Å; A137-S279 CarbonylContact C-O 3.54Å; A137-S279 WeakPolarHBondContact CA-O 3.24Å; A137-F281 HydrophobicContact CB-CD2 4.23Å; A137-F281 HydrophobicContact CB-CE2 3.93Å
138V98.9Very high94.3Very high0 Ų034.4 Ų34.40%018%0.177CC..EExtended strand (participates in β ladder)trans-97.8112.8169.2-171.30000107.6M163 A271 V278 S279 F281 F283V138-M163 HydrophobicContact CG1-CE 4.07Å; V138-A271 HydrophobicContact CG2-CB 3.37Å; V138-V278 HydrophobicContact CG2-CG1 4.01Å; V138-S279 PolarHBondContact N-O 2.86Å; V138-F281 PolarHBondContact O-N 3.16Å; V138-F283 HydrophobicContact CG1-CE2 3.86Å; V138-F283 HydrophobicContact CG1-CZ 3.8Å
139V98.8Very high95Very high1 Ų140.9 Ų40.91%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-108.1101.8-174.9-169.70000108.9A137 L145 I154 I160 I161 R162A137-V139 HydrophobicContact CB-CG2 4.4Å; V139-L145 HydrophobicContact CG1-CD1 4.03Å; V139-I154 HydrophobicContact CG1-CD1 4.4Å; V139-I154 HydrophobicContact CG2-CD1 4.07Å; V139-I154 HydrophobicContact CG2-CG1 4.26Å; V139-I154 HydrophobicContact CG2-CG2 3.75Å; V139-I160 HydrophobicContact CG2-CG2 4.21Å; V139-I161 PolarHBondContact N-O 3.06Å; V139-R162 HydrophobicContact CB-CG 4.34Å
140G97.9Very high95.6Very high3 Ų341.2 Ų41.23%0.03119%0.188CC..  trans-74.8-173.417000000112.1L145 F281 G282G140-L145 VanDerWaalsContact O-CD1 3.31Å; G140-L145 WeakPolarHBondContact O-CD1 3.26Å; G140-F281 PolarHBondContact N-O 3.12Å; G140-G282 CarbonylContact C-O 3.41Å; G140-G282 VanDerWaalsContact C-O 3.32Å; G140-G282 WeakPolarHBondContact CA-O 3.5Å
141N96.5Very high96.1Very high14 Ų1438.7 Ų38.78%0.07517%0.172CC..  trans-109.53.2-166.8-65.6-12.5000114M163 A166 G282 H293 Y294 W295N141-M163 PolarHBondContact ND2-O 3.18Å; N141-A166 WeakPolarHBondContact OD1-CB 3.45Å; N141-G282 PolarHBondContact N-O 3.1Å; N141-H293 CarbonylContact O-C 3.54Å; N141-H293 VanDerWaalsContact O-CA 3.23Å; N141-H293 WeakPolarHBondContact O-CA 3.47Å; N141-Y294 WeakPolarHBondContact O-CD1 3.37Å; N141-Y294 PolarHBondContact O-N 3.45Å; N141-W295 HydrophobicContact CB-CH2 3.7Å; N141-W295 HydrophobicContact CB-CZ3 3.58Å
142S94.1Very high96.6Very high11 Ų1134.5 Ų34.58%0.07717%0.17CC..BIsolated β-bridgetrans-60.4142.4-174.8-176.30000113.1N144 L145 G282 G284 H292S142-N144 PolarHBondContact O-N 3.21Å; S142-N144 VanDerWaalsContact O-N 3.1Å; S142-N144 PolarHBondContact OG-N 2.94Å; S142-N144 PolarHBondContact OG-ND2 2.78Å; S142-L145 WeakPolarHBondContact O-CB 3.29Å; S142-L145 PolarHBondContact O-N 3.29Å; S142-L145 VanDerWaalsContact O-N 3.16Å; S142-G282 VanDerWaalsContact CB-C 3.45Å; S142-G282 WeakPolarHBondContact CB-O 3.19Å; S142-G282 PolarHBondContact N-O 2.8Å; S142-G284 WeakPolarHBondContact CB-O 3.32Å; S142-G284 PolarHBondContact OG-O 2.68Å; S142-H292 CarbonylContact C-O 3.56Å
143G93.5Very high96.9Very high4 Ų436.3 Ų36.34%0.04118%0.182CC..G310 helixtrans-59.6-14.8172.200000114.4L145 K146 H292G143-L145 PolarHBondContact O-N 2.66Å; G143-L145 VanDerWaalsContact O-N 3.12Å; G143-K146 WeakPolarHBondContact O-CB 3.46Å; G143-K146 WeakPolarHBondContact O-CG 3.49Å; G143-K146 PolarHBondContact O-N 3.43Å; G143-H292 PolarHBondContact N-O 3.44Å
144N94.2Very high97.1Very high1 Ų133.8 Ų33.81%0.00517%0.165CC..G310 helixtrans-61.8-15.8173.27518.5000113.4S142 K146 G282 F283 A285 D286 T332 G333 R334S142-N144 PolarHBondContact O-N 3.21Å; S142-N144 VanDerWaalsContact O-N 3.1Å; S142-N144 PolarHBondContact OG-N 2.94Å; S142-N144 PolarHBondContact OG-ND2 2.78Å; N144-K146 VanDerWaalsContact C-N 3.28Å; N144-K146 PolarHBondContact O-N 2.95Å; N144-G282 VanDerWaalsContact OD1-CA 3.31Å; N144-G282 WeakPolarHBondContact OD1-CA 3.1Å; N144-F283 PolarHBondContact ND2-O 3.27Å; N144-A285 PolarHBondContact ND2-O 2.91Å; N144-D286 HydrophobicContact CB-CB 4.32Å; N144-T332 PolarHBondContact ND2-O 3.24Å; N144-G333 CarbonylContact O-C 3.6Å; N144-G333 VanDerWaalsContact O-CA 3.28Å; N144-G333 WeakPolarHBondContact O-CA 3.32Å; N144-R334 WeakPolarHBondContact CA-O 3.37Å; N144-R334 WeakPolarHBondContact CB-O 3.43Å; N144-R334 PolarHBondContact O-N 2.82Å
145L97.2Very high97.3Very high0 Ų033.8 Ų33.80%017%0.168CC..G310 helixtrans-69.7-23.4171.8-69.9171.7000113V139 G140 S142 G143 R147 S148 Y150 D174 V175 F281 Y294V139-L145 HydrophobicContact CG1-CD1 4.03Å; G140-L145 VanDerWaalsContact O-CD1 3.31Å; G140-L145 WeakPolarHBondContact O-CD1 3.26Å; S142-L145 WeakPolarHBondContact O-CB 3.29Å; S142-L145 PolarHBondContact O-N 3.29Å; S142-L145 VanDerWaalsContact O-N 3.16Å; G143-L145 PolarHBondContact O-N 2.66Å; G143-L145 VanDerWaalsContact O-N 3.12Å; L145-R147 PolarHBondContact O-N 3.22Å; L145-S148 WeakPolarHBondContact O-CB 3.27Å; L145-S148 PolarHBondContact O-N 2.93Å; L145-S148 PolarHBondContact O-OG 2.91Å; L145-Y150 HydrophobicContact CD2-CD2 4.09Å; L145-D174 VanDerWaalsContact O-CB 3.29Å; L145-D174 WeakPolarHBondContact O-CB 3.22Å; L145-D174 VanDerWaalsContact O-CG 3.25Å; L145-V175 HydrophobicContact CB-CG1 4.08Å; L145-V175 HydrophobicContact CD1-CG1 3.89Å; L145-V175 HydrophobicContact CG-CG1 4.45Å; L145-F281 HydrophobicContact CD2-CB 3.95Å; L145-Y294 HydrophobicContact CB-CD1 4.43Å; L145-Y294 HydrophobicContact CB-CG 4.39Å; L145-Y294 HydrophobicContact CD1-CD1 3.63Å; L145-Y294 HydrophobicContact CD1-CE1 3.98Å; L145-Y294 HydrophobicContact CD1-CG 4.36Å
146K94.6Very high97.3Very high50 Ų5036.3 Ų36.322%0.21719%0.19CC..THydrogen-bonded Turntrans-61.2125.8-177-71.6176175.2164.70111.3G143 N144 S148 H292 Y294 E296G143-K146 WeakPolarHBondContact O-CB 3.46Å; G143-K146 WeakPolarHBondContact O-CG 3.49Å; G143-K146 PolarHBondContact O-N 3.43Å; N144-K146 VanDerWaalsContact C-N 3.28Å; N144-K146 PolarHBondContact O-N 2.95Å; K146-S148 PolarHBondContact O-N 3.18Å; K146-H292 PolarHBondContact NZ-CD2 3.4Å; K146-H292 PolarHBondContact NZ-NE2 2.85Å; K146-Y294 VanDerWaalsContact CE-C 3.47Å; K146-Y294 WeakPolarHBondContact CE-O 3.28Å; K146-E296 PolarHBondContact NZ-O 3.47Å
147R95.1Very high97.3Very high193 Ų19336.9 Ų36.973%0.72819%0.194SC*.THydrogen-bonded Turntrans58.621.1-177.9-50.6176.3-178.71690.5113.5L145 R149 D174 R334L145-R147 PolarHBondContact O-N 3.22Å; R147-R149 VanDerWaalsContact C-N 3.33Å; R147-D174 WeakPolarHBondContact CA-OD1 3.49Å; R147-D174 PolarHBondContact N-OD1 3.47Å; R147-D174 VanDerWaalsContact N-OD1 3.1Å; R147-D174 PolarHBondContact N-OD2 3.44Å; R147-R334 PolarHBondContact O-NE 3.21Å; R147-R334 PolarHBondContact O-NH2 2.54Å
148S97.3Very high97.2Very high14 Ų1440.6 Ų40.610%0.09821%0.214CC..  trans-73.1-28.8176.466.10000112.1L145 K146 Y150 D174L145-S148 WeakPolarHBondContact O-CB 3.27Å; L145-S148 PolarHBondContact O-N 2.93Å; L145-S148 PolarHBondContact O-OG 2.91Å; K146-S148 PolarHBondContact O-N 3.18Å; S148-Y150 PolarHBondContact O-N 3.03Å; S148-Y150 VanDerWaalsContact OG-CD2 3.26Å; S148-Y150 WeakPolarHBondContact OG-CD2 3.26Å; S148-Y150 PolarHBondContact OG-N 3.35Å; S148-D174 PolarHBondContact N-OD1 3.33Å
149R97.9Very high97.2Very high173 Ų17342.5 Ų42.565%0.65322%0.222SC*.  trans59.530.5-174-55.1-175.5161.7-179.5-5.1114R147 G151 E173 D174R147-R149 VanDerWaalsContact C-N 3.33Å; R149-G151 VanDerWaalsContact C-N 3.25Å; R149-G151 PolarHBondContact O-N 2.81Å; R149-E173 CarbonylContact C-O 3.46Å; R149-E173 VanDerWaalsContact C-O 3.28Å; R149-E173 VanDerWaalsContact CA-O 3.23Å; R149-E173 WeakPolarHBondContact CA-O 3.16Å; R149-E173 WeakPolarHBondContact CD-OE1 3.25Å; R149-E173 HydrophobicContact CG-CG 4.18Å; R149-E173 WeakPolarHBondContact CG-OE1 3.3Å; R149-E173 IonicContact CZ-OE1 2.95Å; R149-E173 VanDerWaalsContact CZ-OE1 3.26Å; R149-E173 IonicContact NE-OE1 2.71Å; R149-E173 PolarHBondContact NE-OE1 2.94Å; R149-E173 IonicContact NH2-OE1 2.76Å; R149-E173 PolarHBondContact NH2-OE1 3.2Å; R149-D174 PolarHBondContact N-OD1 3.43Å
150Y98.7Very high97.2Very high48 Ų4842.5 Ų42.519%0.18822%0.222CC..  trans-78.1-5.3179.2-63.7-36.2000114L145 S148 G152 L153 I154 D174 F281 F331 G333L145-Y150 HydrophobicContact CD2-CD2 4.09Å; S148-Y150 PolarHBondContact O-N 3.03Å; S148-Y150 VanDerWaalsContact OG-CD2 3.26Å; S148-Y150 WeakPolarHBondContact OG-CD2 3.26Å; S148-Y150 PolarHBondContact OG-N 3.35Å; Y150-G152 VanDerWaalsContact C-N 3.34Å; Y150-G152 PolarHBondContact O-N 3.49Å; Y150-L153 WeakPolarHBondContact O-CA 3.5Å; Y150-L153 WeakPolarHBondContact O-CB 3.28Å; Y150-L153 PolarHBondContact O-N 2.73Å; Y150-I154 WeakPolarHBondContact O-CG1 3.31Å; Y150-I154 PolarHBondContact O-N 2.83Å; Y150-D174 CarbonylContact C-O 3.58Å; Y150-D174 WeakPolarHBondContact CB-O 3.48Å; Y150-D174 PolarHBondContact N-O 2.66Å; Y150-F281 HydrophobicContact CD1-CE1 4.47Å; Y150-F281 AromaticContact CD2-CD1 3.63Å; Y150-F281 HydrophobicContact CD2-CD1 3.63Å; Y150-F281 HydrophobicContact CD2-CE1 4.23Å; Y150-F281 HydrophobicContact CE2-CD1 4.23Å; Y150-F281 AromaticContact CG-CD1 3.86Å; Y150-F281 HydrophobicContact CG-CD1 3.86Å; Y150-F281 HydrophobicContact CG-CE1 4.04Å; Y150-F331 HydrophobicContact CD2-CB 4.45Å; Y150-F331 HydrophobicContact CE1-CD1 4.1Å; Y150-F331 HydrophobicContact CE2-CB 3.87Å; Y150-G333 WeakPolarHBondContact OH-CA 3.33Å; Y150-G333 PolarHBondContact OH-N 3.03Å
151G98.6Very high97.3Very high2 Ų242.3 Ų42.32%0.02122%0.22CC..Hα-helixtrans-56.4-43-170.300000114.5R149 L153 I154 D155 E173 D174R149-G151 VanDerWaalsContact C-N 3.25Å; R149-G151 PolarHBondContact O-N 2.81Å; G151-L153 VanDerWaalsContact C-N 3.31Å; G151-L153 PolarHBondContact O-N 2.77Å; G151-I154 PolarHBondContact O-N 3.45Å; G151-D155 WeakPolarHBondContact O-CB 3.45Å; G151-D155 PolarHBondContact O-N 3.04Å; G151-E173 WeakPolarHBondContact CA-O 3.45Å; G151-E173 PolarHBondContact N-O 3.21Å; G151-D174 PolarHBondContact N-O 2.86Å
152G98.7Very high97.4Very high63 Ų6341.8 Ų41.865%0.64922%0.217SC*.Hα-helixtrans-66.9-29.8176.500000114Y150 A156Y150-G152 VanDerWaalsContact C-N 3.34Å; Y150-G152 PolarHBondContact O-N 3.49Å; G152-A156 PolarHBondContact O-N 3.43Å
153L98.4Very high97.6Very high79 Ų7941.5 Ų41.541%0.41422%0.215SC..Hα-helixtrans-76.5-41.5176.818061.4000111.2Y150 G151 A156 F281 F331Y150-L153 WeakPolarHBondContact O-CA 3.5Å; Y150-L153 WeakPolarHBondContact O-CB 3.28Å; Y150-L153 PolarHBondContact O-N 2.73Å; G151-L153 VanDerWaalsContact C-N 3.31Å; G151-L153 PolarHBondContact O-N 2.77Å; L153-A156 WeakPolarHBondContact O-CB 3.44Å; L153-A156 PolarHBondContact O-N 3.37Å; L153-F281 HydrophobicContact CD2-CE1 3.85Å; L153-F281 HydrophobicContact CD2-CZ 3.87Å; L153-F281 HydrophobicContact CG-CE1 4.32Å; L153-F281 HydrophobicContact CG-CZ 3.98Å; L153-F331 HydrophobicContact CD2-CD1 4.11Å; L153-F331 HydrophobicContact CD2-CE1 3.42Å; L153-F331 VanDerWaalsContact CD2-CE1 3.42Å; L153-F331 HydrophobicContact CD2-CE2 4.29Å; L153-F331 HydrophobicContact CD2-CZ 3.53Å
154I98.8Very high97.8Very high0 Ų042.7 Ų42.70%022%0.22CC..Hα-helixtrans-61.1-48.7174.9-68.5165.6000110A137 V139 Y150 G151 A156 C157 I160 V175 F281A137-I154 HydrophobicContact CB-CG2 4.12Å; V139-I154 HydrophobicContact CG1-CD1 4.4Å; V139-I154 HydrophobicContact CG2-CD1 4.07Å; V139-I154 HydrophobicContact CG2-CG1 4.26Å; V139-I154 HydrophobicContact CG2-CG2 3.75Å; Y150-I154 WeakPolarHBondContact O-CG1 3.31Å; Y150-I154 PolarHBondContact O-N 2.83Å; G151-I154 PolarHBondContact O-N 3.45Å; I154-A156 PolarHBondContact O-N 3.36Å; I154-A156 VanDerWaalsContact O-N 3.13Å; I154-C157 PolarHBondContact O-N 2.95Å; I154-I160 HydrophobicContact CG2-CD1 4.42Å; I154-I160 HydrophobicContact CG2-CG1 4.33Å; I154-I160 HydrophobicContact CG2-CG2 3.78Å; I154-I160 WeakPolarHBondContact O-CD1 3.43Å; I154-I160 WeakPolarHBondContact O-CG1 3.42Å; I154-V175 WeakPolarHBondContact CD1-O 3.4Å; I154-F281 HydrophobicContact CD1-CB 4.37Å; I154-F281 HydrophobicContact CD1-CD1 4.29Å; I154-F281 HydrophobicContact CD1-CD2 4.43Å; I154-F281 HydrophobicContact CD1-CG 4.13Å; I154-F281 HydrophobicContact CG1-CD1 4.11Å; I154-F281 HydrophobicContact CG1-CD2 3.86Å; I154-F281 HydrophobicContact CG1-CE1 4.15Å; I154-F281 HydrophobicContact CG1-CE2 3.9Å; I154-F281 HydrophobicContact CG1-CG 3.98Å; I154-F281 HydrophobicContact CG1-CZ 4.05Å
155D98.8Very high97.8Very high33 Ų3347.9 Ų47.918%0.17624%0.244CC..THydrogen-bonded Turntrans-69.7-7.6-178.3-77.5-8.7000113.6G151 T177 R178G151-D155 WeakPolarHBondContact O-CB 3.45Å; G151-D155 PolarHBondContact O-N 3.04Å; D155-T177 VanDerWaalsContact CG-N 3.32Å; D155-T177 PolarHBondContact OD1-N 2.83Å; D155-T177 PolarHBondContact OD2-N 3.5Å; D155-T177 PolarHBondContact OD2-OG1 3.07Å; D155-R178 PolarHBondContact O-NH1 3.22Å; D155-R178 WeakPolarHBondContact OD1-CB 3.2Å; D155-R178 PolarHBondContact OD1-N 2.76Å
156A98.4Very high97.8Very high73 Ų7348.2 Ų48.260%0.60325%0.247SC*.THydrogen-bonded Turntrans-83.5-16.4174.500000113.4G152 L153 I154G152-A156 PolarHBondContact O-N 3.43Å; L153-A156 WeakPolarHBondContact O-CB 3.44Å; L153-A156 PolarHBondContact O-N 3.37Å; I154-A156 PolarHBondContact O-N 3.36Å; I154-A156 VanDerWaalsContact O-N 3.13Å
157C98.3Very high97.9Very high12 Ų1247.9 Ų47.98%0.08125%0.25CC..SBendtrans-73.7155.8178.5-67.90000112.5S135 A137 I154 I160 R178S135-C157 WeakPolarHBondContact OG-CA 3.33Å; A137-C157 HydrophobicContact CB-CB 4.03Å; I154-C157 PolarHBondContact O-N 2.95Å; C157-I160 HydrophobicContact CB-CG1 4.41Å; C157-R178 PolarHBondContact O-NH1 3.35Å
158D97.5Very high98Very high79 Ų7940.5 Ų40.542%0.42223%0.227SC..SBendtrans-67.5-51.5175.7-58.4-61.5000110.1R134 S135R134-D158 HydrophobicContact CG-CB 4.4Å; S135-D158 PolarHBondContact N-OD2 3.35Å; S135-D158 WeakPolarHBondContact O-CB 3.41Å; S135-D158 PolarHBondContact O-N 3.48Å; S135-D158 VanDerWaalsContact O-N 3.07Å; S135-D158 PolarHBondContact OG-N 2.83Å; S135-D158 VanDerWaalsContact OG-N 3.07Å; S135-D158 PolarHBondContact OG-OD2 3.45Å
159F98.4Very high98.1Very high40 Ų4044.2 Ų44.218%0.17525%0.253CS..EExtended strand (participates in β ladder)trans-111.2141.5174-64.8-11.3000112.3Y125 R134 S135 C136 A137 T180 H181 I274Y125-F159 AromaticContact CD1-CE2 3.91Å; Y125-F159 HydrophobicContact CD1-CE2 3.91Å; Y125-F159 HydrophobicContact CD1-CZ 4.39Å; Y125-F159 HydrophobicContact CE1-CD2 4.49Å; Y125-F159 AromaticContact CE1-CE2 3.46Å; Y125-F159 HydrophobicContact CE1-CE2 3.46Å; Y125-F159 VanDerWaalsContact CE1-CE2 3.46Å; Y125-F159 AromaticContact CE1-CZ 3.86Å; Y125-F159 HydrophobicContact CE1-CZ 3.86Å; R134-F159 VanDerWaalsContact CD-CE2 3.42Å; R134-F159 HydrophobicContact CG-CD2 4.26Å; R134-F159 HydrophobicContact CG-CE2 4.31Å; S135-F159 PolarHBondContact O-N 2.79Å; C136-F159 CarbonylContact C-O 3.59Å; C136-F159 VanDerWaalsContact CA-O 3.3Å; C136-F159 WeakPolarHBondContact CA-O 3.24Å; C136-F159 HydrophobicContact CB-CB 4.47Å; A137-F159 PolarHBondContact N-O 3.19Å; F159-T180 VanDerWaalsContact CA-OG1 3.24Å; F159-T180 WeakPolarHBondContact CA-OG1 3.45Å; F159-T180 WeakPolarHBondContact CB-OG1 3.3Å; F159-H181 AromaticContact CD1-CE1 3.84Å; F159-H181 AromaticContact CD2-CE1 3.59Å; F159-H181 AromaticContact CE2-CE1 3.8Å; F159-H181 AromaticContact CG-CE1 3.63Å; F159-H181 AromaticContact CG-ND1 3.99Å; F159-I274 HydrophobicContact CD2-CD1 4.39Å
160I98.9Very high98Very high0 Ų038.9 Ų38.90%025%0.251CS..EExtended strand (participates in β ladder)trans-129.4109.3178-59.2160000106.5A137 V139 I154 C157 R162 R178 T180 H181A137-I160 HydrophobicContact CB-CG1 4.39Å; A137-I160 WeakPolarHBondContact O-CA 3.4Å; V139-I160 HydrophobicContact CG2-CG2 4.21Å; I154-I160 HydrophobicContact CG2-CD1 4.42Å; I154-I160 HydrophobicContact CG2-CG1 4.33Å; I154-I160 HydrophobicContact CG2-CG2 3.78Å; I154-I160 WeakPolarHBondContact O-CD1 3.43Å; I154-I160 WeakPolarHBondContact O-CG1 3.42Å; C157-I160 HydrophobicContact CB-CG1 4.41Å; I160-R162 HydrophobicContact CG2-CG 4.34Å; I160-R178 HydrophobicContact CD1-CB 3.42Å; I160-R178 VanDerWaalsContact CD1-CB 3.42Å; I160-R178 WeakPolarHBondContact CG2-O 3.47Å; I160-T180 PolarHBondContact N-OG1 3.33Å; I160-T180 PolarHBondContact O-N 3.04Å; I160-T180 PolarHBondContact O-OG1 2.63Å; I160-H181 PolarHBondContact O-N 3.4Å; I160-H181 VanDerWaalsContact O-N 3.09Å
161I98.9Very high98Very high0 Ų039.3 Ų39.30%025%0.254CS..EExtended strand (participates in β ladder)trans-101.5111.8-175.4-52.5-179.9000107.7A137 V139 H181 V183 A271 I274A137-I161 PolarHBondContact O-N 2.69Å; V139-I161 PolarHBondContact N-O 3.06Å; I161-H181 WeakPolarHBondContact CA-O 3.14Å; I161-H181 HydrophobicContact CG1-CB 4.19Å; I161-H181 HydrophobicContact CG2-CB 4.47Å; I161-V183 HydrophobicContact CG2-CG2 3.66Å; I161-A271 HydrophobicContact CD1-CB 3.84Å; I161-I274 HydrophobicContact CD1-CD1 4.37Å
162R98.8Very high98Very high2 Ų242.9 Ų42.91%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-110.3170.4174.5-61.4-173.1-167.9-84-4.4110.2V139 I160 V175 R178 T179 H181 H182 V183V139-R162 HydrophobicContact CB-CG 4.34Å; I160-R162 HydrophobicContact CG2-CG 4.34Å; R162-V175 VanDerWaalsContact CZ-O 3.23Å; R162-V175 PolarHBondContact NH1-O 2.92Å; R162-V175 PolarHBondContact NH2-O 2.83Å; R162-R178 PolarHBondContact NE-O 3.4Å; R162-R178 PolarHBondContact NH2-O 3.12Å; R162-T179 HydrophobicContact CB-CG2 4.13Å; R162-T179 WeakPolarHBondContact CD-OG1 3.49Å; R162-T179 HydrophobicContact CG-CG2 4.03Å; R162-T179 PolarHBondContact NE-OG1 3.49Å; R162-H181 PolarHBondContact N-O 3.16Å; R162-H182 CarbonylContact O-C 3.5Å; R162-H182 WeakPolarHBondContact O-CA 3.36Å; R162-V183 PolarHBondContact O-N 2.88Å
163M98.4Very high98Very high5 Ų545.4 Ų45.43%0.02527%0.265CS..EExtended strand (participates in β ladder)trans-150159.9-175.763.6-164.173.800114.3V138 N141 A166 V183 T263 G264 S267 F283V138-M163 HydrophobicContact CG1-CE 4.07Å; N141-M163 PolarHBondContact ND2-O 3.18Å; M163-A166 VanDerWaalsContact O-CB 3.27Å; M163-A166 WeakPolarHBondContact O-CB 3.37Å; M163-V183 CarbonylContact C-O 3.56Å; M163-V183 WeakPolarHBondContact CA-O 3.33Å; M163-V183 HydrophobicContact CB-CB 4.11Å; M163-T263 HydrophobicContact CB-CG2 3.88Å; M163-T263 HydrophobicContact CG-CG2 4.49Å; M163-T263 HydrophobicContact SD-CG2 4.34Å; M163-G264 WeakPolarHBondContact SD-CA 3.17Å; M163-S267 VanDerWaalsContact CE-CB 3.48Å; M163-S267 WeakPolarHBondContact CE-OG 3.09Å; M163-F283 HydrophobicContact CE-CZ 4.42Å
164N97.1Very high98Very high30 Ų3042.6 Ų42.616%0.1625%0.251CS..THydrogen-bonded Turntrans57.9-141.4174.9-58.3-8.2000111.9A166 H182 V183 S188 T263N164-A166 VanDerWaalsContact C-N 3.32Å; N164-A166 PolarHBondContact O-N 3.3Å; N164-H182 PolarHBondContact O-NE2 3.26Å; N164-V183 PolarHBondContact N-O 3.13Å; N164-S188 VanDerWaalsContact CA-OG 3.25Å; N164-S188 WeakPolarHBondContact CA-OG 3.47Å; N164-S188 VanDerWaalsContact CB-OG 3.23Å; N164-S188 WeakPolarHBondContact CB-OG 3.14Å; N164-T263 WeakPolarHBondContact OD1-CG2 3.33Å
165Q96.2Very high98Very high110 Ų11042.6 Ų42.651%0.51425%0.251SS..THydrogen-bonded Turntrans-95.222.9-177.3-60.9-179.7-11.200113.4P167 I190Q165-P167 WeakPolarHBondContact O-CD 3.49Å; Q165-I190 HydrophobicContact CB-CG2 4.17Å; Q165-I190 HydrophobicContact CG-CG2 3.96Å
166A96.3Very high98Very high7 Ų741 Ų416%0.05824%0.242CC..  trans-66116.7-172.700000112.1N141 M163 N164 Y294 W295N141-A166 WeakPolarHBondContact OD1-CB 3.45Å; M163-A166 VanDerWaalsContact O-CB 3.27Å; M163-A166 WeakPolarHBondContact O-CB 3.37Å; N164-A166 VanDerWaalsContact C-N 3.32Å; N164-A166 PolarHBondContact O-N 3.3Å; A166-Y294 HydrophobicContact CB-CE1 4.3Å; A166-Y294 WeakPolarHBondContact CB-OH 3.13Å; A166-W295 HydrophobicContact CB-CE3 4.48Å; A166-W295 HydrophobicContact CB-CH2 4.04Å; A166-W295 HydrophobicContact CB-CZ3 3.72Å
167P96.9Very high98Very high42 Ų4241.6 Ų41.627%0.27324%0.238SC..  trans-84.6145.2179.933.8-32.5000111.5Q165 F171 Y294 W295Q165-P167 WeakPolarHBondContact O-CD 3.49Å; P167-F171 HydrophobicContact CG-CD2 4.13Å; P167-F171 HydrophobicContact CG-CE2 4.05Å; P167-Y294 HydrophobicContact CG-CE2 4.37Å; P167-Y294 VanDerWaalsContact O-CE2 3.23Å; P167-Y294 WeakPolarHBondContact O-CE2 3.28Å; P167-Y294 PolarHBondContact O-OH 3Å; P167-W295 VanDerWaalsContact CD-CE3 3.44Å; P167-W295 HydrophobicContact CG-CB 3.5Å; P167-W295 VanDerWaalsContact CG-CB 3.5Å; P167-W295 HydrophobicContact CG-CD2 4.04Å; P167-W295 HydrophobicContact CG-CE3 4.37Å; P167-W295 HydrophobicContact CG-CG 3.68Å
168T97.9Very high98Very high39 Ų3946.1 Ų46.124%0.23925%0.254CS..  trans-94.9-33.1166.153.90000111.8G170 F171 E172 V175T168-G170 PolarHBondContact O-N 3.17Å; T168-F171 CarbonylContact O-C 3.32Å; T168-F171 PolarHBondContact O-N 3.03Å; T168-E172 PolarHBondContact O-N 2.92Å; T168-V175 HydrophobicContact CG2-CG2 4.34Å
169S97.4Very high98Very high92 Ų9243.8 Ų43.864%0.64324%0.242SC*.THydrogen-bonded Turntrans-61.2124.6-177.8-171.20000112.1F171 E172S169-F171 VanDerWaalsContact C-N 3.3Å; S169-F171 WeakPolarHBondContact O-CD2 3.3Å; S169-E172 VanDerWaalsContact CA-OE1 3.25Å; S169-E172 WeakPolarHBondContact CA-OE1 3.46Å
170G97.6Very high98Very high61 Ų6143 Ų4363%0.62924%0.241SC*.THydrogen-bonded Turntrans82.6-0.3-176.200000115T168 E172T168-G170 PolarHBondContact O-N 3.17Å; G170-E172 VanDerWaalsContact C-OE2 3.26Å; G170-E172 VanDerWaalsContact CA-OE2 3.22Å; G170-E172 WeakPolarHBondContact CA-OE2 3.33Å; G170-E172 PolarHBondContact N-OE1 3.41Å; G170-E172 PolarHBondContact N-OE2 3.42Å
171F98.2Very high98Very high56 Ų5643.4 Ų43.425%0.24624%0.243CC..  trans-127.411.6179.7-59.1-82.4000112.5P167 T168 S169 E173 D174 V175 Y294 W295P167-F171 HydrophobicContact CG-CD2 4.13Å; P167-F171 HydrophobicContact CG-CE2 4.05Å; T168-F171 CarbonylContact O-C 3.32Å; T168-F171 PolarHBondContact O-N 3.03Å; S169-F171 VanDerWaalsContact C-N 3.3Å; S169-F171 WeakPolarHBondContact O-CD2 3.3Å; F171-E173 VanDerWaalsContact C-N 3.29Å; F171-E173 PolarHBondContact O-N 2.92Å; F171-D174 PolarHBondContact O-N 2.83Å; F171-V175 HydrophobicContact CB-CG1 4.41Å; F171-V175 HydrophobicContact CB-CG2 3.85Å; F171-V175 WeakPolarHBondContact O-CG2 3.3Å; F171-V175 PolarHBondContact O-N 3.41Å; F171-Y294 HydrophobicContact CB-CD2 4.28Å; F171-Y294 HydrophobicContact CB-CE2 4.06Å; F171-Y294 AromaticContact CD1-CD2 3.89Å; F171-Y294 HydrophobicContact CD1-CD2 3.89Å; F171-Y294 HydrophobicContact CD1-CE2 4.36Å; F171-Y294 HydrophobicContact CD2-CD2 4.4Å; F171-Y294 HydrophobicContact CD2-CE2 4.12Å; F171-Y294 HydrophobicContact CE1-CD2 4.37Å; F171-Y294 WeakPolarHBondContact CE1-O 3.38Å; F171-Y294 AromaticContact CG-CD2 3.92Å; F171-Y294 HydrophobicContact CG-CD2 3.92Å; F171-Y294 AromaticContact CG-CE2 3.91Å; F171-Y294 HydrophobicContact CG-CE2 3.91Å; F171-W295 HydrophobicContact CD2-CB 4.39Å; F171-W295 HydrophobicContact CE1-CB 4.34Å; F171-W295 HydrophobicContact CE2-CB 3.64Å; F171-W295 VanDerWaalsContact CZ-CA 3.44Å; F171-W295 HydrophobicContact CZ-CB 3.62Å
172E98.6Very high98Very high78 Ų7843.6 Ų43.636%0.36424%0.244SC..Hα-helixtrans-58.9-36.6-167.8-60.784.6167.500113T168 S169 G170 D174 G176 T177T168-E172 PolarHBondContact O-N 2.92Å; S169-E172 VanDerWaalsContact CA-OE1 3.25Å; S169-E172 WeakPolarHBondContact CA-OE1 3.46Å; G170-E172 VanDerWaalsContact C-OE2 3.26Å; G170-E172 VanDerWaalsContact CA-OE2 3.22Å; G170-E172 WeakPolarHBondContact CA-OE2 3.33Å; G170-E172 PolarHBondContact N-OE1 3.41Å; G170-E172 PolarHBondContact N-OE2 3.42Å; E172-D174 PolarHBondContact O-N 2.85Å; E172-G176 VanDerWaalsContact O-CA 3.24Å; E172-G176 WeakPolarHBondContact O-CA 3.48Å; E172-G176 PolarHBondContact O-N 3.33Å; E172-T177 HydrophobicContact CB-CG2 3.75Å; E172-T177 HydrophobicContact CG-CG2 3.67Å
173E98.4Very high98Very high115 Ų11543.5 Ų43.554%0.53724%0.243SC..Hα-helixtrans-60-36.3177.2-169.4-177.5168.200111.3R149 G151 F171R149-E173 CarbonylContact C-O 3.46Å; R149-E173 VanDerWaalsContact C-O 3.28Å; R149-E173 VanDerWaalsContact CA-O 3.23Å; R149-E173 WeakPolarHBondContact CA-O 3.16Å; R149-E173 WeakPolarHBondContact CD-OE1 3.25Å; R149-E173 HydrophobicContact CG-CG 4.18Å; R149-E173 WeakPolarHBondContact CG-OE1 3.3Å; R149-E173 IonicContact CZ-OE1 2.95Å; R149-E173 VanDerWaalsContact CZ-OE1 3.26Å; R149-E173 IonicContact NE-OE1 2.71Å; R149-E173 PolarHBondContact NE-OE1 2.94Å; R149-E173 IonicContact NH2-OE1 2.76Å; R149-E173 PolarHBondContact NH2-OE1 3.2Å; G151-E173 WeakPolarHBondContact CA-O 3.45Å; G151-E173 PolarHBondContact N-O 3.21Å; F171-E173 VanDerWaalsContact C-N 3.29Å; F171-E173 PolarHBondContact O-N 2.92Å
174D98.6Very high98Very high20 Ų2043.3 Ų43.311%0.10724%0.242CC..Hα-helixtrans-91.1-43.3-175.8-73.9-32.3000112.6L145 R147 S148 R149 Y150 G151 F171 E172L145-D174 VanDerWaalsContact O-CB 3.29Å; L145-D174 WeakPolarHBondContact O-CB 3.22Å; L145-D174 VanDerWaalsContact O-CG 3.25Å; R147-D174 WeakPolarHBondContact CA-OD1 3.49Å; R147-D174 PolarHBondContact N-OD1 3.47Å; R147-D174 VanDerWaalsContact N-OD1 3.1Å; R147-D174 PolarHBondContact N-OD2 3.44Å; S148-D174 PolarHBondContact N-OD1 3.33Å; R149-D174 PolarHBondContact N-OD1 3.43Å; Y150-D174 CarbonylContact C-O 3.58Å; Y150-D174 WeakPolarHBondContact CB-O 3.48Å; Y150-D174 PolarHBondContact N-O 2.66Å; G151-D174 PolarHBondContact N-O 2.86Å; F171-D174 PolarHBondContact O-N 2.83Å; E172-D174 PolarHBondContact O-N 2.85Å
175V98.6Very high98.1Very high0 Ų044.1 Ų44.10%024%0.244CC..Hα-helixtrans-113.3-4.7-169.1-49.20000114.1L145 I154 R162 T168 F171 Y294L145-V175 HydrophobicContact CB-CG1 4.08Å; L145-V175 HydrophobicContact CD1-CG1 3.89Å; L145-V175 HydrophobicContact CG-CG1 4.45Å; I154-V175 WeakPolarHBondContact CD1-O 3.4Å; R162-V175 VanDerWaalsContact CZ-O 3.23Å; R162-V175 PolarHBondContact NH1-O 2.92Å; R162-V175 PolarHBondContact NH2-O 2.83Å; T168-V175 HydrophobicContact CG2-CG2 4.34Å; F171-V175 HydrophobicContact CB-CG1 4.41Å; F171-V175 HydrophobicContact CB-CG2 3.85Å; F171-V175 WeakPolarHBondContact O-CG2 3.3Å; F171-V175 PolarHBondContact O-N 3.41Å; V175-Y294 HydrophobicContact CG1-CD1 4.44Å; V175-Y294 HydrophobicContact CG1-CD2 4.11Å; V175-Y294 HydrophobicContact CG1-CE1 4.26Å; V175-Y294 HydrophobicContact CG1-CE2 3.95Å; V175-Y294 HydrophobicContact CG1-CG 4.36Å; V175-Y294 HydrophobicContact CG2-CE2 4.33Å
176G98.6Very high98.2Very high0 Ų039 Ų390%022%0.22CC..  trans83176-178.100000113E172E172-G176 VanDerWaalsContact O-CA 3.24Å; E172-G176 WeakPolarHBondContact O-CA 3.48Å; E172-G176 PolarHBondContact O-N 3.33Å
177T98.1Very high98.2Very high85 Ų8540.1 Ų40.152%0.52122%0.224SC..SBendtrans-110.2-26.5-175.359.60000113.1D155 E172D155-T177 VanDerWaalsContact CG-N 3.32Å; D155-T177 PolarHBondContact OD1-N 2.83Å; D155-T177 PolarHBondContact OD2-N 3.5Å; D155-T177 PolarHBondContact OD2-OG1 3.07Å; E172-T177 HydrophobicContact CB-CG2 3.75Å; E172-T177 HydrophobicContact CG-CG2 3.67Å
178R98.1Very high98.2Very high108 Ų10838.6 Ų38.641%0.40821%0.214SC..  trans-90148.6-173.1-65.3172.164.7-142-7.2110.7D155 C157 I160 R162D155-R178 PolarHBondContact O-NH1 3.22Å; D155-R178 WeakPolarHBondContact OD1-CB 3.2Å; D155-R178 PolarHBondContact OD1-N 2.76Å; C157-R178 PolarHBondContact O-NH1 3.35Å; I160-R178 HydrophobicContact CD1-CB 3.42Å; I160-R178 VanDerWaalsContact CD1-CB 3.42Å; I160-R178 WeakPolarHBondContact CG2-O 3.47Å; R162-R178 PolarHBondContact NE-O 3.4Å; R162-R178 PolarHBondContact NH2-O 3.12Å
179T98.7Very high98.2Very high29 Ų2936.8 Ų36.818%0.17820%0.203CC..  trans-139.7133.6168.5-52.70000106.6R162 H181 H182 T196R162-T179 HydrophobicContact CB-CG2 4.13Å; R162-T179 WeakPolarHBondContact CD-OG1 3.49Å; R162-T179 HydrophobicContact CG-CG2 4.03Å; R162-T179 PolarHBondContact NE-OG1 3.49Å; T179-H181 WeakPolarHBondContact CG2-O 3.42Å; T179-H182 HydrophobicContact CG2-CB 4.25Å; T179-T196 HydrophobicContact CG2-CG2 3.83Å; T179-T196 PolarHBondContact O-OG1 3.01Å
180T98.6Very high98.2Very high25 Ų2534.1 Ų34.115%0.15318%0.182CC..SBendtrans-111.1-32.7173.5660000111.5F159 I160 S197F159-T180 VanDerWaalsContact CA-OG1 3.24Å; F159-T180 WeakPolarHBondContact CA-OG1 3.45Å; F159-T180 WeakPolarHBondContact CB-OG1 3.3Å; I160-T180 PolarHBondContact N-OG1 3.33Å; I160-T180 PolarHBondContact O-N 3.04Å; I160-T180 PolarHBondContact O-OG1 2.63Å; T180-S197 WeakPolarHBondContact O-CB 3.46Å; T180-S197 PolarHBondContact O-N 3.42Å
181H98.8Very high98.2Very high7 Ų734.4 Ų34.43%0.03217%0.169CC..EExtended strand (participates in β ladder)trans-133135.7175.5-54.676000109Y125 F159 I160 I161 R162 T179 S197 V199Y125-H181 AromaticContact CE1-NE2 3.97Å; Y125-H181 AromaticContact CZ-NE2 3.66Å; Y125-H181 PolarHBondContact OH-CD2 3.34Å; Y125-H181 PolarHBondContact OH-NE2 3.33Å; F159-H181 AromaticContact CD1-CE1 3.84Å; F159-H181 AromaticContact CD2-CE1 3.59Å; F159-H181 AromaticContact CE2-CE1 3.8Å; F159-H181 AromaticContact CG-CE1 3.63Å; F159-H181 AromaticContact CG-ND1 3.99Å; I160-H181 PolarHBondContact O-N 3.4Å; I160-H181 VanDerWaalsContact O-N 3.09Å; I161-H181 WeakPolarHBondContact CA-O 3.14Å; I161-H181 HydrophobicContact CG1-CB 4.19Å; I161-H181 HydrophobicContact CG2-CB 4.47Å; R162-H181 PolarHBondContact N-O 3.16Å; T179-H181 WeakPolarHBondContact CG2-O 3.42Å; H181-S197 CarbonylContact C-O 3.6Å; H181-S197 WeakPolarHBondContact CA-O 3.3Å; H181-V199 HydrophobicContact CB-CG2 4.13Å
182H98.8Very high98.2Very high5 Ų532.7 Ų32.72%0.02316%0.162CC..EExtended strand (participates in β ladder)trans-124.9113.2176.1-159.7101.9000110.1R162 N164 T179 I190 L192 T196 S197 V199R162-H182 CarbonylContact O-C 3.5Å; R162-H182 WeakPolarHBondContact O-CA 3.36Å; N164-H182 PolarHBondContact O-NE2 3.26Å; T179-H182 HydrophobicContact CG2-CB 4.25Å; H182-I190 VanDerWaalsContact CE1-CD1 3.48Å; H182-I190 WeakPolarHBondContact CE1-CD1 3.26Å; H182-L192 HydrophobicContact CB-CD1 4.04Å; H182-L192 HydrophobicContact CB-CD2 3.69Å; H182-T196 HydrophobicContact CB-CG2 3.79Å; H182-S197 PolarHBondContact N-O 3.07Å; H182-V199 PolarHBondContact O-N 2.9Å
183V98.9Very high98.1Very high0 Ų033 Ų330%017%0.166CC..EExtended strand (participates in β ladder)trans-87120.6-176.7-1740000109.5I161 R162 M163 N164 V199 I201 T263 S267I161-V183 HydrophobicContact CG2-CG2 3.66Å; R162-V183 PolarHBondContact O-N 2.88Å; M163-V183 CarbonylContact C-O 3.56Å; M163-V183 WeakPolarHBondContact CA-O 3.33Å; M163-V183 HydrophobicContact CB-CB 4.11Å; N164-V183 PolarHBondContact N-O 3.13Å; V183-V199 CarbonylContact C-O 3.6Å; V183-V199 VanDerWaalsContact CA-O 3.31Å; V183-V199 WeakPolarHBondContact CA-O 3.41Å; V183-V199 HydrophobicContact CG2-CB 4.06Å; V183-V199 HydrophobicContact CG2-CG1 4.39Å; V183-I201 HydrophobicContact CG1-CD1 3.32Å; V183-I201 HydrophobicContact CG1-CG1 3.66Å; V183-T263 HydrophobicContact CB-CG2 4.44Å; V183-T263 HydrophobicContact CG1-CG2 3.83Å; V183-S267 WeakPolarHBondContact CG2-OG 3.44Å
184M98.3Very high98.1Very high0 Ų032.6 Ų32.60%017%0.167CC..EExtended strand (participates in β ladder)trans-152.1173-179.162-179.7-17100113A189 I190 L192 L198 V199 L200 I201 I231M184-A189 HydrophobicContact CE-CB 4.46Å; M184-A189 HydrophobicContact SD-CB 4.02Å; M184-I190 HydrophobicContact SD-CG1 4.29Å; M184-I190 PolarHBondContact SD-N 3.43Å; M184-L192 HydrophobicContact CE-CD1 3.96Å; M184-L192 HydrophobicContact CE-CG 4.33Å; M184-L198 HydrophobicContact CE-CD1 3.18Å; M184-L198 HydrophobicContact CE-CD2 4.29Å; M184-L198 HydrophobicContact CE-CG 3.49Å; M184-L198 VanDerWaalsContact CE-CG 3.49Å; M184-L198 HydrophobicContact CG-CG 4.49Å; M184-V199 PolarHBondContact N-O 2.9Å; M184-L200 CarbonylContact O-C 3.59Å; M184-L200 WeakPolarHBondContact O-CA 3.26Å; M184-I201 PolarHBondContact O-N 3Å; M184-I231 HydrophobicContact CE-CD1 4.17Å
185Y98.4Very high98Very high48 Ų4837.2 Ų37.219%0.18819%0.192CC..  trans-144.4164.5177.555.8-88.1000108E187 S188 A189 I201 F203 T263Y185-E187 VanDerWaalsContact C-N 3.29Å; Y185-E187 HydrophobicContact CD2-CB 4.16Å; Y185-E187 VanDerWaalsContact CD2-OE2 3.29Å; Y185-E187 WeakPolarHBondContact CD2-OE2 3.35Å; Y185-E187 HydrophobicContact CE2-CB 3.99Å; Y185-E187 PolarHBondContact O-N 3.03Å; Y185-E187 VanDerWaalsContact O-N 3.12Å; Y185-S188 VanDerWaalsContact CZ-CB 3.43Å; Y185-S188 CarbonylContact O-C 3.54Å; Y185-S188 PolarHBondContact O-N 3.26Å; Y185-A189 PolarHBondContact O-N 2.84Å; Y185-A189 VanDerWaalsContact O-N 3.09Å; Y185-I201 WeakPolarHBondContact CB-O 2.9Å; Y185-F203 AromaticContact CD1-CE2 3.74Å; Y185-F203 HydrophobicContact CD1-CE2 3.74Å; Y185-F203 HydrophobicContact CD1-CZ 4.44Å; Y185-F203 HydrophobicContact CD2-CE2 4.2Å; Y185-F203 HydrophobicContact CE1-CE2 4.38Å; Y185-F203 HydrophobicContact CG-CD2 4.19Å; Y185-F203 AromaticContact CG-CE2 3.64Å; Y185-F203 HydrophobicContact CG-CE2 3.64Å; Y185-T263 WeakPolarHBondContact CE1-OG1 3.45Å
186P98.3Very high98Very high2 Ų237.3 Ų37.31%0.01319%0.193CC..G310 helixtrans-52.8-42.5-166-28.134.6000114.7S188 D207 W210 T223 V227P186-S188 PolarHBondContact O-N 2.9Å; P186-D207 HydrophobicContact CG-CB 3.83Å; P186-D207 WeakPolarHBondContact CG-OD1 3.31Å; P186-W210 HydrophobicContact CB-CB 4.44Å; P186-W210 HydrophobicContact CB-CD2 3.57Å; P186-W210 HydrophobicContact CB-CE3 3.88Å; P186-W210 HydrophobicContact CB-CG 3.82Å; P186-W210 HydrophobicContact CB-CZ2 4.4Å; P186-W210 HydrophobicContact CB-CZ3 4.39Å; P186-W210 HydrophobicContact CG-CB 4.08Å; P186-W210 HydrophobicContact CG-CD2 3.62Å; P186-W210 HydrophobicContact CG-CE3 3.52Å; P186-W210 HydrophobicContact CG-CG 3.88Å; P186-W210 HydrophobicContact CG-CZ3 4.18Å; P186-T223 HydrophobicContact CB-CG2 4.42Å; P186-V227 HydrophobicContact CB-CB 4.28Å; P186-V227 HydrophobicContact CB-CG1 3.82Å
187E96.7Very high98Very high30 Ų3038.1 Ų38.114%0.1420%0.198CC..G310 helixtrans-75.3-9-177.4-57.184.6173.300113.6Y185 K204 T223 Y224 L225 V227Y185-E187 VanDerWaalsContact C-N 3.29Å; Y185-E187 HydrophobicContact CD2-CB 4.16Å; Y185-E187 VanDerWaalsContact CD2-OE2 3.29Å; Y185-E187 WeakPolarHBondContact CD2-OE2 3.35Å; Y185-E187 HydrophobicContact CE2-CB 3.99Å; Y185-E187 PolarHBondContact O-N 3.03Å; Y185-E187 VanDerWaalsContact O-N 3.12Å; E187-K204 IonicContact OE1-NZ 3.19Å; E187-K204 PolarHBondContact OE1-NZ 3.46Å; E187-K204 IonicContact OE2-NZ 3.56Å; E187-T223 WeakPolarHBondContact CG-OG1 3.47Å; E187-T223 VanDerWaalsContact OE1-CB 3.31Å; E187-T223 WeakPolarHBondContact OE1-CB 3.38Å; E187-T223 PolarHBondContact OE1-OG1 2.76Å; E187-Y224 HydrophobicContact CG-CE1 3.97Å; E187-Y224 HydrophobicContact CG-CE2 4.29Å; E187-Y224 WeakPolarHBondContact OE1-CE1 3.36Å; E187-L225 HydrophobicContact CG-CB 4.42Å; E187-V227 HydrophobicContact CG-CG1 3.94Å
188S95.9Very high98Very high10 Ų1034.1 Ų34.17%0.0717%0.174CC..G310 helixtrans-126.417.8-179.5-159.80000112.3N164 Y185 P186N164-S188 VanDerWaalsContact CA-OG 3.25Å; N164-S188 WeakPolarHBondContact CA-OG 3.47Å; N164-S188 VanDerWaalsContact CB-OG 3.23Å; N164-S188 WeakPolarHBondContact CB-OG 3.14Å; Y185-S188 VanDerWaalsContact CZ-CB 3.43Å; Y185-S188 CarbonylContact O-C 3.54Å; Y185-S188 PolarHBondContact O-N 3.26Å; P186-S188 PolarHBondContact O-N 2.9Å
189A97.8Very high98Very high2 Ų229 Ų292%0.01716%0.155CC..  trans-76.5143.5-172.600000113.8M184 Y185 W210 R228M184-A189 HydrophobicContact CE-CB 4.46Å; M184-A189 HydrophobicContact SD-CB 4.02Å; Y185-A189 PolarHBondContact O-N 2.84Å; Y185-A189 VanDerWaalsContact O-N 3.09Å; A189-W210 HydrophobicContact CB-CH2 3.5Å; A189-W210 HydrophobicContact CB-CZ2 3.75Å; A189-R228 WeakPolarHBondContact O-CD 3.41Å; A189-R228 PolarHBondContact O-NE 3.47Å
190I97.9Very high98Very high36 Ų3627.7 Ų27.719%0.18515%0.146CC..  trans-127.6165.9172.964.9168.8000110.8Q165 H182 M184 L192Q165-I190 HydrophobicContact CB-CG2 4.17Å; Q165-I190 HydrophobicContact CG-CG2 3.96Å; H182-I190 VanDerWaalsContact CE1-CD1 3.48Å; H182-I190 WeakPolarHBondContact CE1-CD1 3.26Å; M184-I190 HydrophobicContact SD-CG1 4.29Å; M184-I190 PolarHBondContact SD-N 3.43Å; I190-L192 HydrophobicContact CD1-CD2 3.95Å; I190-L192 HydrophobicContact CG1-CD2 3.82Å
191D98.3Very high98Very high67 Ų6726.5 Ų26.536%0.35814%0.139SC..  trans-76.2139.8167.5-67.7-47.4000109.5R228 K232D191-R228 IonicContact OD1-NH1 3.99Å; D191-R228 IonicContact OD2-NH1 2.92Å; D191-R228 PolarHBondContact OD2-NH1 3.5Å; D191-K232 HydrophobicContact CB-CB 4.07Å; D191-K232 PolarHBondContact OD1-N 3.35Å
192L98.3Very high97.9Very high20 Ų2026.2 Ų26.211%0.10514%0.138CC..  trans-115.9151.8-179.6-58.3178000110.5H182 M184 I190 T196 L198 K232H182-L192 HydrophobicContact CB-CD1 4.04Å; H182-L192 HydrophobicContact CB-CD2 3.69Å; M184-L192 HydrophobicContact CE-CD1 3.96Å; M184-L192 HydrophobicContact CE-CG 4.33Å; I190-L192 HydrophobicContact CD1-CD2 3.95Å; I190-L192 HydrophobicContact CG1-CD2 3.82Å; L192-T196 HydrophobicContact CD1-CG2 4.21Å; L192-T196 HydrophobicContact CD2-CG2 4.26Å; L192-L198 HydrophobicContact CD1-CB 3.79Å; L192-L198 HydrophobicContact CD1-CD1 4.3Å; L192-L198 HydrophobicContact CD1-CG 4.04Å; L192-K232 PolarHBondContact N-O 3.32Å
193D96.8Very high97.8Very high85 Ų8526.2 Ų26.246%0.45514%0.138SC..  trans-70.4168.7168.969.781.6000111.4N195 T196D193-N195 PolarHBondContact O-N 3.17Å; D193-N195 VanDerWaalsContact OD1-CA 3.32Å; D193-N195 WeakPolarHBondContact OD1-CA 3.47Å; D193-N195 WeakPolarHBondContact OD1-CB 3.5Å; D193-N195 PolarHBondContact OD1-N 2.95Å; D193-T196 PolarHBondContact OD1-N 3.39Å; D193-T196 PolarHBondContact OD1-OG1 3.18Å; D193-T196 WeakPolarHBondContact OD2-CB 3.25Å; D193-T196 PolarHBondContact OD2-OG1 3.36Å
194N97.2Very high97.6Very high105 Ų10526.8 Ų26.856%0.56114%0.14SC*.SBendtrans-72.6-13.9-173.8-160.361.3000114.4N234N194-N234 PolarHBondContact O-ND2 3.23Å; N194-N234 VanDerWaalsContact O-ND2 3.16Å; N194-N234 WeakPolarHBondContact OD1-CB 3.46Å; N194-N234 PolarHBondContact OD1-ND2 3.27Å
195N96.6Very high97.6Very high118 Ų11826.8 Ų26.863%0.63114%0.14SC*.SBendtrans-96.4-24.7-177.5-73.3-14.9000113.1D193 K237D193-N195 PolarHBondContact O-N 3.17Å; D193-N195 VanDerWaalsContact OD1-CA 3.32Å; D193-N195 WeakPolarHBondContact OD1-CA 3.47Å; D193-N195 WeakPolarHBondContact OD1-CB 3.5Å; D193-N195 PolarHBondContact OD1-N 2.95Å; N195-K237 PolarHBondContact O-NZ 2.91Å
196T98.3Very high97.5Very high2 Ų226.4 Ų26.41%0.01214%0.141CC..SBendtrans-75.5128.9177.5-65.10000111.8T179 H182 L192 D193T179-T196 HydrophobicContact CG2-CG2 3.83Å; T179-T196 PolarHBondContact O-OG1 3.01Å; H182-T196 HydrophobicContact CB-CG2 3.79Å; L192-T196 HydrophobicContact CD1-CG2 4.21Å; L192-T196 HydrophobicContact CD2-CG2 4.26Å; D193-T196 PolarHBondContact OD1-N 3.39Å; D193-T196 PolarHBondContact OD1-OG1 3.18Å; D193-T196 WeakPolarHBondContact OD2-CB 3.25Å; D193-T196 PolarHBondContact OD2-OG1 3.36Å
197S98.5Very high97.5Very high16 Ų1626.3 Ų26.311%0.11214%0.141CC..EExtended strand (participates in β ladder)trans-78129.2171.2-58.40000110.9T180 H181 H182 K237T180-S197 WeakPolarHBondContact O-CB 3.46Å; T180-S197 PolarHBondContact O-N 3.42Å; H181-S197 CarbonylContact C-O 3.6Å; H181-S197 WeakPolarHBondContact CA-O 3.3Å; H182-S197 PolarHBondContact N-O 3.07Å; S197-K237 CarbonylContact C-O 3.42Å; S197-K237 WeakPolarHBondContact CA-O 3.18Å; S197-K237 WeakPolarHBondContact CB-O 3.44Å
198L98.6Very high97.6Very high2 Ų224.9 Ų24.91%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-81.1123.6172.5-172.3162.6000108.4M184 L192 L200 L211 I231 A233 K237 V238 L239M184-L198 HydrophobicContact CE-CD1 3.18Å; M184-L198 HydrophobicContact CE-CD2 4.29Å; M184-L198 HydrophobicContact CE-CG 3.49Å; M184-L198 VanDerWaalsContact CE-CG 3.49Å; M184-L198 HydrophobicContact CG-CG 4.49Å; L192-L198 HydrophobicContact CD1-CB 3.79Å; L192-L198 HydrophobicContact CD1-CD1 4.3Å; L192-L198 HydrophobicContact CD1-CG 4.04Å; L198-L200 HydrophobicContact CD2-CB 3.84Å; L198-L211 HydrophobicContact CD1-CD1 4.22Å; L198-L211 HydrophobicContact CD2-CD1 4.3Å; L198-I231 HydrophobicContact CD1-CD1 3.6Å; L198-A233 HydrophobicContact CD1-CB 3.83Å; L198-K237 PolarHBondContact N-O 3.08Å; L198-V238 HydrophobicContact CB-CG2 4.24Å; L198-V238 HydrophobicContact CD2-CG1 4.1Å; L198-L239 PolarHBondContact O-N 3.33Å
199V98.6Very high97.7Very high1 Ų127 Ų271%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-109.6105.3169.9-175.50000108.6L79 H181 H182 V183 M184 L239 Y241 L270L79-V199 HydrophobicContact CD2-CG1 4.25Å; H181-V199 HydrophobicContact CB-CG2 4.13Å; H182-V199 PolarHBondContact O-N 2.9Å; V183-V199 CarbonylContact C-O 3.6Å; V183-V199 VanDerWaalsContact CA-O 3.31Å; V183-V199 WeakPolarHBondContact CA-O 3.41Å; V183-V199 HydrophobicContact CG2-CB 4.06Å; V183-V199 HydrophobicContact CG2-CG1 4.39Å; M184-V199 PolarHBondContact N-O 2.9Å; V199-L239 CarbonylContact C-O 3.55Å; V199-L239 WeakPolarHBondContact CA-O 3.34Å; V199-L239 HydrophobicContact CG2-CB 4.28Å; V199-L239 HydrophobicContact CG2-CD1 4.11Å; V199-Y241 HydrophobicContact CG1-CD2 4.49Å; V199-L270 HydrophobicContact CG1-CD2 4.03Å; V199-L270 HydrophobicContact CG2-CD2 4.47Å
200L98.8Very high97.7Very high0 Ų027 Ų270%014%0.142CC..EExtended strand (participates in β ladder)trans-82127.1178.7-175.277.7000109.3M184 L198 P202 L208 W210 L211 L239 I240 Y241M184-L200 CarbonylContact O-C 3.59Å; M184-L200 WeakPolarHBondContact O-CA 3.26Å; L198-L200 HydrophobicContact CD2-CB 3.84Å; L200-P202 HydrophobicContact CD2-CB 4.5Å; L200-P202 VanDerWaalsContact O-CD 3.32Å; L200-P202 WeakPolarHBondContact O-CD 3.08Å; L200-L208 HydrophobicContact CD2-CD2 4Å; L200-W210 HydrophobicContact CD1-CE3 4.27Å; L200-W210 HydrophobicContact CD1-CZ3 3.9Å; L200-L211 HydrophobicContact CB-CD2 4.31Å; L200-L211 HydrophobicContact CD2-CB 3.92Å; L200-L211 HydrophobicContact CD2-CD2 3.72Å; L200-L211 HydrophobicContact CD2-CG 4.35Å; L200-L239 PolarHBondContact N-O 3.31Å; L200-I240 HydrophobicContact CB-CD1 3.99Å; L200-I240 HydrophobicContact CD2-CD1 4.03Å; L200-Y241 VanDerWaalsContact O-CB 3.24Å; L200-Y241 WeakPolarHBondContact O-CB 3.46Å; L200-Y241 PolarHBondContact O-N 2.77Å
201I98.5Very high97.8Very high0 Ų025.2 Ų25.20%013%0.133CC..  trans-95.4108.2163.7-61.1177000108.4V183 M184 Y185 F203 Y241 F246 T263 L266V183-I201 HydrophobicContact CG1-CD1 3.32Å; V183-I201 HydrophobicContact CG1-CG1 3.66Å; M184-I201 PolarHBondContact O-N 3Å; Y185-I201 WeakPolarHBondContact CB-O 2.9Å; I201-F203 HydrophobicContact CB-CE2 4.03Å; I201-F203 HydrophobicContact CB-CZ 4.36Å; I201-F203 HydrophobicContact CG2-CD2 4.13Å; I201-F203 HydrophobicContact CG2-CE1 4.14Å; I201-F203 HydrophobicContact CG2-CE2 3.61Å; I201-F203 HydrophobicContact CG2-CZ 3.62Å; I201-F203 WeakPolarHBondContact O-CD2 2.87Å; I201-Y241 HydrophobicContact CD1-CD2 4.42Å; I201-Y241 HydrophobicContact CG1-CD2 3.98Å; I201-Y241 HydrophobicContact CG1-CG 4.05Å; I201-F246 HydrophobicContact CG2-CD1 4.35Å; I201-F246 HydrophobicContact CG2-CE1 4Å; I201-T263 HydrophobicContact CD1-CG2 3.98Å; I201-L266 HydrophobicContact CD1-CB 3.93Å; I201-L266 HydrophobicContact CD1-CD1 3.8Å; I201-L266 HydrophobicContact CG2-CD1 4.06Å
202P97.3Very high97.8Very high1 Ų122.5 Ų22.51%0.00612%0.119CC..  trans-85.8115.8177.336.2-34.5000109.6W95 L200 D207 L208 I240 Y241 P243W95-P202 HydrophobicContact CZ2-CB 4.06Å; W95-P202 HydrophobicContact CZ2-CG 4.41Å; W95-P202 PolarHBondContact NE1-O 2.92Å; L200-P202 HydrophobicContact CD2-CB 4.5Å; L200-P202 VanDerWaalsContact O-CD 3.32Å; L200-P202 WeakPolarHBondContact O-CD 3.08Å; P202-D207 HydrophobicContact CB-CB 4.22Å; P202-L208 HydrophobicContact CB-CD2 3.62Å; P202-L208 HydrophobicContact CB-CG 4.01Å; P202-L208 HydrophobicContact CG-CD2 3.99Å; P202-I240 HydrophobicContact CG-CG2 4.06Å; P202-Y241 WeakPolarHBondContact CD-O 3.33Å; P202-P243 HydrophobicContact CG-CG 4.43Å
203F96.1Very high97.8Very high6 Ų621.8 Ų21.83%0.02612%0.115CC..SBendtrans-90.3-12.2174.2-64.5-88.9000112.3Q100 Y185 I201 D207 F246 Y260Q100-F203 HydrophobicContact CG-CB 4.25Å; Y185-F203 AromaticContact CD1-CE2 3.74Å; Y185-F203 HydrophobicContact CD1-CE2 3.74Å; Y185-F203 HydrophobicContact CD1-CZ 4.44Å; Y185-F203 HydrophobicContact CD2-CE2 4.2Å; Y185-F203 HydrophobicContact CE1-CE2 4.38Å; Y185-F203 HydrophobicContact CG-CD2 4.19Å; Y185-F203 AromaticContact CG-CE2 3.64Å; Y185-F203 HydrophobicContact CG-CE2 3.64Å; I201-F203 HydrophobicContact CB-CE2 4.03Å; I201-F203 HydrophobicContact CB-CZ 4.36Å; I201-F203 HydrophobicContact CG2-CD2 4.13Å; I201-F203 HydrophobicContact CG2-CE1 4.14Å; I201-F203 HydrophobicContact CG2-CE2 3.61Å; I201-F203 HydrophobicContact CG2-CZ 3.62Å; I201-F203 WeakPolarHBondContact O-CD2 2.87Å; F203-D207 PolarHBondContact N-OD2 3.19Å; F203-F246 AromaticContact CD1-CE1 3.73Å; F203-F246 HydrophobicContact CD1-CE1 3.73Å; F203-F246 AromaticContact CD1-CZ 3.84Å; F203-F246 HydrophobicContact CD1-CZ 3.84Å; F203-F246 AromaticContact CE1-CE1 3.82Å; F203-F246 HydrophobicContact CE1-CE1 3.82Å; F203-F246 AromaticContact CE1-CZ 3.62Å; F203-F246 HydrophobicContact CE1-CZ 3.62Å; F203-Y260 HydrophobicContact CD1-CD2 4.23Å; F203-Y260 AromaticContact CD1-CE2 3.97Å; F203-Y260 HydrophobicContact CD1-CE2 3.97Å; F203-Y260 AromaticContact CE1-CD2 3.93Å; F203-Y260 HydrophobicContact CE1-CD2 3.93Å; F203-Y260 AromaticContact CE1-CE2 3.78Å; F203-Y260 HydrophobicContact CE1-CE2 3.78Å
204K95.4Very high97.9Very high11 Ų1117.8 Ų17.85%0.0489%0.094CC..SBendtrans-160.3162.8-176.853.2-175178.4-57.50110.6W95 Q100 E102 E187 L206 D207W95-K204 VanDerWaalsContact CH2-C 3.41Å; Q100-K204 HydrophobicContact CB-CB 4.43Å; Q100-K204 HydrophobicContact CB-CD 4.26Å; E102-K204 HydrophobicContact CG-CB 3.87Å; E102-K204 HydrophobicContact CG-CD 4.35Å; E187-K204 IonicContact OE1-NZ 3.19Å; E187-K204 PolarHBondContact OE1-NZ 3.46Å; E187-K204 IonicContact OE2-NZ 3.56Å; K204-L206 VanDerWaalsContact C-N 3.27Å; K204-L206 HydrophobicContact CD-CB 4.39Å; K204-L206 HydrophobicContact CG-CB 4.34Å; K204-L206 PolarHBondContact O-N 3.2Å; K204-D207 WeakPolarHBondContact CE-OD1 3.27Å; K204-D207 HydrophobicContact CG-CB 4.46Å; K204-D207 VanDerWaalsContact CG-CG 3.45Å; K204-D207 VanDerWaalsContact CG-OD1 3.26Å; K204-D207 WeakPolarHBondContact CG-OD1 3.32Å; K204-D207 WeakPolarHBondContact CG-OD2 3.28Å; K204-D207 PolarHBondContact N-OD2 3.26Å; K204-D207 IonicContact NZ-OD1 3.72Å; K204-D207 PolarHBondContact NZ-OD1 2.63Å; K204-D207 IonicContact NZ-OD2 2.95Å; K204-D207 WeakPolarHBondContact O-CB 3.5Å; K204-D207 PolarHBondContact O-N 2.91Å
205T96.6Very high98Very high0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-62.5-36.7-179-56.70000111.4W95 E102 A106 V111 D207 L208 Q209W95-T205 WeakPolarHBondContact CZ3-OG1 3.42Å; E102-T205 VanDerWaalsContact OE2-CB 3.31Å; E102-T205 WeakPolarHBondContact OE2-CB 3.41Å; E102-T205 PolarHBondContact OE2-N 2.98Å; E102-T205 PolarHBondContact OE2-OG1 3.07Å; A106-T205 HydrophobicContact CB-CG2 4.23Å; V111-T205 HydrophobicContact CB-CG2 4.3Å; V111-T205 HydrophobicContact CG1-CG2 4.33Å; V111-T205 HydrophobicContact CG2-CG2 3.98Å; T205-D207 PolarHBondContact O-N 3.18Å; T205-D207 VanDerWaalsContact O-N 3.12Å; T205-L208 WeakPolarHBondContact O-CB 3.48Å; T205-L208 PolarHBondContact O-N 3.11Å; T205-L208 VanDerWaalsContact O-N 3.07Å; T205-Q209 PolarHBondContact O-N 3.19Å
206L97.2Very high98Very high41 Ų419.7 Ų9.722%0.2155%0.052CC..Hα-helixtrans-56.8-25.8174.7-176.560.6000113.6E102 K204 Q209 W210 I220 T223E102-L206 WeakPolarHBondContact OE1-CB 3.37Å; E102-L206 PolarHBondContact OE1-N 2.82Å; K204-L206 VanDerWaalsContact C-N 3.27Å; K204-L206 HydrophobicContact CD-CB 4.39Å; K204-L206 HydrophobicContact CG-CB 4.34Å; K204-L206 PolarHBondContact O-N 3.2Å; L206-Q209 HydrophobicContact CD1-CB 4.48Å; L206-Q209 PolarHBondContact O-N 3.06Å; L206-W210 VanDerWaalsContact O-CB 3.29Å; L206-W210 WeakPolarHBondContact O-CB 3.45Å; L206-W210 PolarHBondContact O-N 3.3Å; L206-I220 HydrophobicContact CD1-CD1 4.07Å; L206-I220 HydrophobicContact CD1-CG2 4.33Å; L206-T223 HydrophobicContact CD2-CG2 3.83Å; L206-T223 HydrophobicContact CG-CG2 4.21Å
207D98.2Very high98Very high0 Ų013.9 Ų13.90%08%0.078CC..Hα-helixtrans-70.9-35.1178.6-61-16.6000111.6P186 P202 F203 K204 T205 W210 L211P186-D207 HydrophobicContact CG-CB 3.83Å; P186-D207 WeakPolarHBondContact CG-OD1 3.31Å; P202-D207 HydrophobicContact CB-CB 4.22Å; F203-D207 PolarHBondContact N-OD2 3.19Å; K204-D207 WeakPolarHBondContact CE-OD1 3.27Å; K204-D207 HydrophobicContact CG-CB 4.46Å; K204-D207 VanDerWaalsContact CG-CG 3.45Å; K204-D207 VanDerWaalsContact CG-OD1 3.26Å; K204-D207 WeakPolarHBondContact CG-OD1 3.32Å; K204-D207 WeakPolarHBondContact CG-OD2 3.28Å; K204-D207 PolarHBondContact N-OD2 3.26Å; K204-D207 IonicContact NZ-OD1 3.72Å; K204-D207 PolarHBondContact NZ-OD1 2.63Å; K204-D207 IonicContact NZ-OD2 2.95Å; K204-D207 WeakPolarHBondContact O-CB 3.5Å; K204-D207 PolarHBondContact O-N 2.91Å; T205-D207 PolarHBondContact O-N 3.18Å; T205-D207 VanDerWaalsContact O-N 3.12Å; D207-W210 PolarHBondContact O-N 3.24Å; D207-L211 PolarHBondContact O-N 3.07Å; D207-L211 VanDerWaalsContact O-N 3.07Å
208L98.4Very high98Very high0 Ų013.8 Ų13.80%08%0.079CC..Hα-helixtrans-69-44.5173.5-59.4180000110.6F108 V111 V112 L115 L200 P202 T205 W210 L211 I212 I240F108-L208 HydrophobicContact CD2-CD1 4.32Å; F108-L208 HydrophobicContact CE2-CD1 3.76Å; V111-L208 HydrophobicContact CG1-CB 3.67Å; V111-L208 HydrophobicContact CG1-CD1 4.39Å; V112-L208 HydrophobicContact CG2-CD1 4.32Å; L115-L208 HydrophobicContact CD2-CD2 3.91Å; L200-L208 HydrophobicContact CD2-CD2 4Å; P202-L208 HydrophobicContact CB-CD2 3.62Å; P202-L208 HydrophobicContact CB-CG 4.01Å; P202-L208 HydrophobicContact CG-CD2 3.99Å; T205-L208 WeakPolarHBondContact O-CB 3.48Å; T205-L208 PolarHBondContact O-N 3.11Å; T205-L208 VanDerWaalsContact O-N 3.07Å; L208-W210 VanDerWaalsContact C-N 3.3Å; L208-W210 PolarHBondContact O-N 3.29Å; L208-L211 PolarHBondContact O-N 3.07Å; L208-I212 WeakPolarHBondContact O-CG1 3.48Å; L208-I212 PolarHBondContact O-N 2.84Å; L208-I212 VanDerWaalsContact O-N 3.12Å; L208-I240 HydrophobicContact CD2-CG2 3.82Å
209Q98.6Very high98Very high55 Ų5518.6 Ų18.626%0.25711%0.109SC..Hα-helixtrans-61.3-40174.5-62.8-175.9-69.700111.6V111 T205 L206 L211 I212 S213 I220V111-Q209 HydrophobicContact CB-CG 4.46Å; V111-Q209 HydrophobicContact CG1-CG 3.76Å; V111-Q209 HydrophobicContact CG2-CG 3.75Å; T205-Q209 PolarHBondContact O-N 3.19Å; L206-Q209 HydrophobicContact CD1-CB 4.48Å; L206-Q209 PolarHBondContact O-N 3.06Å; Q209-L211 VanDerWaalsContact C-N 3.33Å; Q209-L211 PolarHBondContact O-N 2.95Å; Q209-I212 PolarHBondContact O-N 1.99Å; Q209-S213 WeakPolarHBondContact O-CB 3.37Å; Q209-S213 PolarHBondContact O-N 3.19Å; Q209-I220 HydrophobicContact CB-CD1 3.76Å
210W98.7Very high98Very high0 Ų020.1 Ų20.10%012%0.117CC..Hα-helixtrans-60.2-43.7175.1169.980.7000111.1P186 A189 L200 L206 D207 L208 I212 S213 A214 I220 R228 I231P186-W210 HydrophobicContact CB-CB 4.44Å; P186-W210 HydrophobicContact CB-CD2 3.57Å; P186-W210 HydrophobicContact CB-CE3 3.88Å; P186-W210 HydrophobicContact CB-CG 3.82Å; P186-W210 HydrophobicContact CB-CZ2 4.4Å; P186-W210 HydrophobicContact CB-CZ3 4.39Å; P186-W210 HydrophobicContact CG-CB 4.08Å; P186-W210 HydrophobicContact CG-CD2 3.62Å; P186-W210 HydrophobicContact CG-CE3 3.52Å; P186-W210 HydrophobicContact CG-CG 3.88Å; P186-W210 HydrophobicContact CG-CZ3 4.18Å; A189-W210 HydrophobicContact CB-CH2 3.5Å; A189-W210 HydrophobicContact CB-CZ2 3.75Å; L200-W210 HydrophobicContact CD1-CE3 4.27Å; L200-W210 HydrophobicContact CD1-CZ3 3.9Å; L206-W210 VanDerWaalsContact O-CB 3.29Å; L206-W210 WeakPolarHBondContact O-CB 3.45Å; L206-W210 PolarHBondContact O-N 3.3Å; D207-W210 PolarHBondContact O-N 3.24Å; L208-W210 VanDerWaalsContact C-N 3.3Å; L208-W210 PolarHBondContact O-N 3.29Å; W210-I212 PolarHBondContact O-N 2.8Å; W210-S213 CarbonylContact O-C 3.54Å; W210-S213 PolarHBondContact O-N 2.8Å; W210-A214 HydrophobicContact CD2-CB 4.29Å; W210-A214 HydrophobicContact CZ2-CB 4.05Å; W210-A214 WeakPolarHBondContact O-CB 3.11Å; W210-A214 PolarHBondContact O-N 2.79Å; W210-I220 HydrophobicContact CB-CG2 4.18Å; W210-R228 PolarHBondContact NE1-O 3.43Å; W210-I231 HydrophobicContact CH2-CD1 4.07Å; W210-I231 HydrophobicContact CH2-CG2 4.02Å; W210-I231 HydrophobicContact CZ2-CG2 3.82Å
211L98.7Very high97.9Very high0 Ų023.8 Ų23.80%014%0.139CC..Hα-helixtrans-62.7-44.9179-179.166.7000111.6L115 I119 L198 L200 D207 L208 Q209 S213 A214 L215 I231 V238 I240L115-L211 HydrophobicContact CD1-CD2 3.89Å; L115-L211 HydrophobicContact CD1-CG 4.43Å; I119-L211 HydrophobicContact CD1-CD2 4.49Å; L198-L211 HydrophobicContact CD1-CD1 4.22Å; L198-L211 HydrophobicContact CD2-CD1 4.3Å; L200-L211 HydrophobicContact CB-CD2 4.31Å; L200-L211 HydrophobicContact CD2-CB 3.92Å; L200-L211 HydrophobicContact CD2-CD2 3.72Å; L200-L211 HydrophobicContact CD2-CG 4.35Å; D207-L211 PolarHBondContact O-N 3.07Å; D207-L211 VanDerWaalsContact O-N 3.07Å; L208-L211 PolarHBondContact O-N 3.07Å; Q209-L211 VanDerWaalsContact C-N 3.33Å; Q209-L211 PolarHBondContact O-N 2.95Å; L211-S213 VanDerWaalsContact C-N 3.34Å; L211-S213 PolarHBondContact O-N 2.9Å; L211-A214 PolarHBondContact O-N 2.95Å; L211-L215 HydrophobicContact CD1-CD1 3.8Å; L211-L215 HydrophobicContact CD1-CG 4.14Å; L211-L215 HydrophobicContact CG-CD1 3.99Å; L211-L215 WeakPolarHBondContact O-CB 3.42Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.41Å; L211-L215 PolarHBondContact O-N 3.43Å; L211-L215 VanDerWaalsContact O-N 3.09Å; L211-I231 HydrophobicContact CD1-CD1 4.29Å; L211-V238 HydrophobicContact CD1-CG1 4.27Å; L211-V238 HydrophobicContact CD2-CG1 3.6Å; L211-V238 HydrophobicContact CG-CG1 4.42Å; L211-I240 HydrophobicContact CD2-CD1 3.37Å
212I98.7Very high97.9Very high9 Ų928.9 Ų28.95%0.04616%0.163CC..Hα-helixtrans-54.4-53.7173.2-66164.3000109.5V111 E114 L115 V118 L208 Q209 W210 L215 T216V111-I212 HydrophobicContact CG1-CD1 4.3Å; E114-I212 HydrophobicContact CB-CD1 4.05Å; E114-I212 HydrophobicContact CG-CD1 3.96Å; E114-I212 HydrophobicContact CG-CG2 4.33Å; L115-I212 HydrophobicContact CB-CD1 4.02Å; L115-I212 HydrophobicContact CB-CG1 4.23Å; L115-I212 HydrophobicContact CD1-CD1 4.39Å; L115-I212 HydrophobicContact CD1-CG1 3.78Å; V118-I212 HydrophobicContact CG2-CG2 4.3Å; L208-I212 WeakPolarHBondContact O-CG1 3.48Å; L208-I212 PolarHBondContact O-N 2.84Å; L208-I212 VanDerWaalsContact O-N 3.12Å; Q209-I212 PolarHBondContact O-N 1.99Å; W210-I212 PolarHBondContact O-N 2.8Å; I212-L215 PolarHBondContact O-N 3.27Å; I212-T216 WeakPolarHBondContact O-CB 3.29Å; I212-T216 WeakPolarHBondContact O-CG2 3.37Å; I212-T216 PolarHBondContact O-N 3.13Å; I212-T216 VanDerWaalsContact O-N 3.17Å; I212-T216 PolarHBondContact O-OG1 3.07Å
213S98.7Very high97.7Very high5 Ų530 Ų304%0.03517%0.17CC..Hα-helixtrans-59.7-49.8-179-170.60000111.9Q209 W210 L211 L215 T216 T217 G218 T219 I220Q209-S213 WeakPolarHBondContact O-CB 3.37Å; Q209-S213 PolarHBondContact O-N 3.19Å; W210-S213 CarbonylContact O-C 3.54Å; W210-S213 PolarHBondContact O-N 2.8Å; L211-S213 VanDerWaalsContact C-N 3.34Å; L211-S213 PolarHBondContact O-N 2.9Å; S213-L215 VanDerWaalsContact C-N 3.27Å; S213-L215 PolarHBondContact O-N 3.18Å; S213-T216 CarbonylContact O-C 3.28Å; S213-T216 PolarHBondContact O-N 3.07Å; S213-T217 PolarHBondContact O-N 3.14Å; S213-G218 WeakPolarHBondContact O-CA 3.46Å; S213-G218 PolarHBondContact O-N 2.85Å; S213-T219 PolarHBondContact OG-N 2.94Å; S213-T219 PolarHBondContact OG-OG1 2.73Å; S213-I220 PolarHBondContact OG-N 2.81Å
214A98.6Very high97.5Very high1 Ų135.6 Ų35.61%0.00819%0.192CC..Hα-helixtrans-64.8-30.1-175.100000113.1W210 L211 A229 R230 I231W210-A214 HydrophobicContact CD2-CB 4.29Å; W210-A214 HydrophobicContact CZ2-CB 4.05Å; W210-A214 WeakPolarHBondContact O-CB 3.11Å; W210-A214 PolarHBondContact O-N 2.79Å; L211-A214 PolarHBondContact O-N 2.95Å; A214-A229 WeakPolarHBondContact CA-O 3.48Å; A214-R230 WeakPolarHBondContact O-CA 3.5Å; A214-I231 HydrophobicContact CB-CD1 4.47Å; A214-I231 HydrophobicContact CB-CG1 4.07Å; A214-I231 HydrophobicContact CB-CG2 4.41Å; A214-I231 PolarHBondContact O-N 3.4Å
215L98.5Very high97.4Very high7 Ų739.3 Ų39.34%0.03721%0.211CC..Hα-helixtrans-84.1-13174.1-66.1177000113.1V118 I119 L211 I212 S213 I231 A233 K235 V238V118-L215 HydrophobicContact CG1-CB 4.25Å; V118-L215 HydrophobicContact CG1-CD1 4.37Å; I119-L215 HydrophobicContact CG2-CD1 3.86Å; L211-L215 HydrophobicContact CD1-CD1 3.8Å; L211-L215 HydrophobicContact CD1-CG 4.14Å; L211-L215 HydrophobicContact CG-CD1 3.99Å; L211-L215 WeakPolarHBondContact O-CB 3.42Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.41Å; L211-L215 PolarHBondContact O-N 3.43Å; L211-L215 VanDerWaalsContact O-N 3.09Å; I212-L215 PolarHBondContact O-N 3.27Å; S213-L215 VanDerWaalsContact C-N 3.27Å; S213-L215 PolarHBondContact O-N 3.18Å; L215-I231 HydrophobicContact CD2-CD1 4.12Å; L215-I231 HydrophobicContact CD2-CG1 3.97Å; L215-A233 HydrophobicContact CD2-CB 4.32Å; L215-K235 HydrophobicContact CD1-CG 4.4Å; L215-K235 HydrophobicContact CD2-CG 4.26Å; L215-K235 WeakPolarHBondContact O-CE 3.49Å; L215-K235 PolarHBondContact O-NZ 2.97Å; L215-V238 HydrophobicContact CD1-CG2 4.13Å
216T98.1Very high97.5Very high46 Ų4644 Ų4428%0.28224%0.242SC..THydrogen-bonded Turntrans-127.1-84.3-172.562.30000113.5V118 I212 S213 R230V118-T216 HydrophobicContact CG1-CG2 3.98Å; V118-T216 HydrophobicContact CG2-CG2 4.29Å; I212-T216 WeakPolarHBondContact O-CB 3.29Å; I212-T216 WeakPolarHBondContact O-CG2 3.37Å; I212-T216 PolarHBondContact O-N 3.13Å; I212-T216 VanDerWaalsContact O-N 3.17Å; I212-T216 PolarHBondContact O-OG1 3.07Å; S213-T216 CarbonylContact O-C 3.28Å; S213-T216 PolarHBondContact O-N 3.07Å; T216-R230 PolarHBondContact O-NH1 3.13Å; T216-R230 PolarHBondContact O-NH2 2.93Å
217T98.1Very high97.5Very high91 Ų9142.8 Ų42.856%0.55824%0.236SC*.THydrogen-bonded Turntrans-92.5-32-16757.20000113S213 T219S213-T217 PolarHBondContact O-N 3.14Å; T217-T219 PolarHBondContact OG1-OG1 3.29Å
218G97.9Very high97.5Very high13 Ų1347.8 Ų47.813%0.13426%0.255CS..  trans66.734.4-177.100000114.9S213 A229S213-G218 WeakPolarHBondContact O-CA 3.46Å; S213-G218 PolarHBondContact O-N 2.85Å; G218-A229 WeakPolarHBondContact CA-O 2.96Å
219T98.3Very high97.5Very high104 Ų10449.5 Ų49.564%0.63827%0.269SS*.  trans-79.7-27.9179.551.10000113.8S213 T217 T221S213-T219 PolarHBondContact OG-N 2.94Å; S213-T219 PolarHBondContact OG-OG1 2.73Å; T217-T219 PolarHBondContact OG1-OG1 3.29Å; T219-T221 PolarHBondContact O-N 2.82Å
220I98.1Very high97.5Very high33 Ų3353.9 Ų53.917%0.16928%0.283CS..  trans-89.2107.5179.8-62.1174.1000109L206 Q209 W210 S213L206-I220 HydrophobicContact CD1-CD1 4.07Å; L206-I220 HydrophobicContact CD1-CG2 4.33Å; Q209-I220 HydrophobicContact CB-CD1 3.76Å; W210-I220 HydrophobicContact CB-CG2 4.18Å; S213-I220 PolarHBondContact OG-N 2.81Å
221T97.9Very high97.5Very high76 Ų7654.6 Ų54.647%0.46629%0.287SS..  trans-116.10.3-178.3680000113.2T219 V227 A229T219-T221 PolarHBondContact O-N 2.82Å; T221-V227 PolarHBondContact O-N 3.38Å; T221-A229 HydrophobicContact CG2-CB 3.64Å
222H96.9Very high97.5Very high108 Ų10861.8 Ų61.850%0.532%0.319SS..BIsolated β-bridgetrans-150.2138.5-176.2-15081.4000111.2L225 P226H222-L225 VanDerWaalsContact CE1-C 3.5Å; H222-P226 WeakPolarHBondContact ND1-CA 3.47Å
223T93.9Very high97.4Very high23 Ų2362.5 Ų62.514%0.14133%0.325CS..SBendtrans-113.2-113.7165.260.60000108.6P186 E187 L206 L225 V227P186-T223 HydrophobicContact CB-CG2 4.42Å; E187-T223 WeakPolarHBondContact CG-OG1 3.47Å; E187-T223 VanDerWaalsContact OE1-CB 3.31Å; E187-T223 WeakPolarHBondContact OE1-CB 3.38Å; E187-T223 PolarHBondContact OE1-OG1 2.76Å; L206-T223 HydrophobicContact CD2-CG2 3.83Å; L206-T223 HydrophobicContact CG-CG2 4.21Å; T223-L225 VanDerWaalsContact C-N 3.34Å; T223-L225 PolarHBondContact N-O 3.02Å; T223-L225 PolarHBondContact OG1-N 3.45Å; T223-L225 PolarHBondContact OG1-O 3.2Å; T223-V227 HydrophobicContact CG2-CG1 3.93Å; T223-V227 HydrophobicContact CG2-CG2 4.28Å
224Y91.6Very high97.4Very high125 Ų12563.4 Ų63.449%0.4933%0.33SS..SBendtrans-87.6-10160.361.5-91.1000112E187E187-Y224 HydrophobicContact CG-CE1 3.97Å; E187-Y224 HydrophobicContact CG-CE2 4.29Å; E187-Y224 WeakPolarHBondContact OE1-CE1 3.36Å
225L94.6Very high97.3Very high88 Ų8867.2 Ų67.246%0.46135%0.346SS..SBendtrans-133.7162.9171-71.9173.5000109.7E187 H222 T223 V227E187-L225 HydrophobicContact CG-CB 4.42Å; H222-L225 VanDerWaalsContact CE1-C 3.5Å; T223-L225 VanDerWaalsContact C-N 3.34Å; T223-L225 PolarHBondContact N-O 3.02Å; T223-L225 PolarHBondContact OG1-N 3.45Å; T223-L225 PolarHBondContact OG1-O 3.2Å; L225-V227 PolarHBondContact O-N 2.85Å
226P97.7Very high97.2Very high99 Ų9972.8 Ų72.864%0.64338%0.376SS*.BIsolated β-bridgetrans-58.3133.6168.4-21.133.1000111H222H222-P226 WeakPolarHBondContact ND1-CA 3.47Å
227V98.3Very high97.2Very high16 Ų1673.7 Ų73.710%0.09738%0.376CS..  trans-124160.4176.8-62.50000110.3P186 E187 T221 T223 L225 A229P186-V227 HydrophobicContact CB-CB 4.28Å; P186-V227 HydrophobicContact CB-CG1 3.82Å; E187-V227 HydrophobicContact CG-CG1 3.94Å; T221-V227 PolarHBondContact O-N 3.38Å; T223-V227 HydrophobicContact CG2-CG1 3.93Å; T223-V227 HydrophobicContact CG2-CG2 4.28Å; L225-V227 PolarHBondContact O-N 2.85Å; V227-A229 PolarHBondContact O-N 3.45Å
228R98.1Very high97.2Very high105 Ų10569.4 Ų69.440%0.39635%0.35SS..  trans-63.4123.2178.1-69.5-179.4172.4-111.9-2109.9A189 D191 W210 R230 I231A189-R228 WeakPolarHBondContact O-CD 3.41Å; A189-R228 PolarHBondContact O-NE 3.47Å; D191-R228 IonicContact OD1-NH1 3.99Å; D191-R228 IonicContact OD2-NH1 2.92Å; D191-R228 PolarHBondContact OD2-NH1 3.5Å; W210-R228 PolarHBondContact NE1-O 3.43Å; R228-R230 VanDerWaalsContact C-N 3.29Å; R228-R230 PolarHBondContact O-N 2.96Å; R228-I231 HydrophobicContact CB-CG2 4.13Å
229A98.3Very high97.2Very high36 Ų3669.5 Ų69.530%0.29835%0.347SS..SBendtrans-61.6-38.7175.300000111.9A214 G218 T221 V227A214-A229 WeakPolarHBondContact CA-O 3.48Å; G218-A229 WeakPolarHBondContact CA-O 2.96Å; T221-A229 HydrophobicContact CG2-CB 3.64Å; V227-A229 PolarHBondContact O-N 3.45Å
230R98.3Very high97.2Very high146 Ų14664.7 Ų64.755%0.55132%0.318SS*.  trans-136.4151.8176.1-62.4-171.975.7115.49.2110.3A214 T216 R228A214-R230 WeakPolarHBondContact O-CA 3.5Å; T216-R230 PolarHBondContact O-NH1 3.13Å; T216-R230 PolarHBondContact O-NH2 2.93Å; R228-R230 VanDerWaalsContact C-N 3.29Å; R228-R230 PolarHBondContact O-N 2.96Å
231I98.1Very high97.2Very high16 Ų1663.1 Ų63.18%0.08231%0.31CS..  trans-125.9151.1172.864.3176.1000110.4M184 L198 W210 L211 A214 L215 R228 A233M184-I231 HydrophobicContact CE-CD1 4.17Å; L198-I231 HydrophobicContact CD1-CD1 3.6Å; W210-I231 HydrophobicContact CH2-CD1 4.07Å; W210-I231 HydrophobicContact CH2-CG2 4.02Å; W210-I231 HydrophobicContact CZ2-CG2 3.82Å; L211-I231 HydrophobicContact CD1-CD1 4.29Å; A214-I231 HydrophobicContact CB-CD1 4.47Å; A214-I231 HydrophobicContact CB-CG1 4.07Å; A214-I231 HydrophobicContact CB-CG2 4.41Å; A214-I231 PolarHBondContact O-N 3.4Å; L215-I231 HydrophobicContact CD2-CD1 4.12Å; L215-I231 HydrophobicContact CD2-CG1 3.97Å; R228-I231 HydrophobicContact CB-CG2 4.13Å; I231-A233 HydrophobicContact CD1-CB 4.29Å
232K98.2Very high97.2Very high151 Ų15159.8 Ų59.866%0.65729%0.289SS*.  trans-90.8114.3163.5-60.4177.1-176.41750108D191 L192D191-K232 HydrophobicContact CB-CB 4.07Å; D191-K232 PolarHBondContact OD1-N 3.35Å; L192-K232 PolarHBondContact N-O 3.32Å
233A97.9Very high97.2Very high23 Ų2354.6 Ų54.619%0.1927%0.265CS..  trans-154.9152.2171.900000108.4L198 L215 I231 K235L198-A233 HydrophobicContact CD1-CB 3.83Å; L215-A233 HydrophobicContact CD2-CB 4.32Å; I231-A233 HydrophobicContact CD1-CB 4.29Å; A233-K235 PolarHBondContact O-N 3.39Å
234N97.8Very high97.4Very high25 Ų2555.7 Ų55.713%0.13427%0.271CS..  trans-75.7115.3173.4-174.1-13.8000109.4N194 D236 K237 V238N194-N234 PolarHBondContact O-ND2 3.23Å; N194-N234 VanDerWaalsContact O-ND2 3.16Å; N194-N234 WeakPolarHBondContact OD1-CB 3.46Å; N194-N234 PolarHBondContact OD1-ND2 3.27Å; N234-D236 PolarHBondContact O-N 2.95Å; N234-D236 PolarHBondContact OD1-N 3.23Å; N234-K237 HydrophobicContact CB-CB 4.26Å; N234-K237 HydrophobicContact CB-CD 4.5Å; N234-K237 HydrophobicContact CB-CG 4.4Å; N234-K237 CarbonylContact O-C 3.41Å; N234-K237 PolarHBondContact O-N 3.44Å; N234-V238 WeakPolarHBondContact O-CG2 2.96Å
235K96.9Very high97.7Very high80 Ų8049.7 Ų49.735%0.34825%0.248SC..G310 helixtrans-59.9-31.4-178.4-63.2-171.4-176.3-165.10112.9V118 P120 L215 A233 K237V118-K235 HydrophobicContact CG1-CD 4.47Å; P120-K235 WeakPolarHBondContact CD-O 3.08Å; L215-K235 HydrophobicContact CD1-CG 4.4Å; L215-K235 HydrophobicContact CD2-CG 4.26Å; L215-K235 WeakPolarHBondContact O-CE 3.49Å; L215-K235 PolarHBondContact O-NZ 2.97Å; A233-K235 PolarHBondContact O-N 3.39Å; K235-K237 PolarHBondContact O-N 3.23Å
236D96.8Very high97.8Very high125 Ų12545.6 Ų45.667%0.66823%0.226SC*.G310 helixtrans-77.50.2179.5-53.2-37.5000112.6N234N234-D236 PolarHBondContact O-N 2.95Å; N234-D236 PolarHBondContact OD1-N 3.23Å
237K97.3Very high97.8Very high64 Ų6441.6 Ų41.628%0.27820%0.199SC..G310 helixtrans-128.631.4178.6-62.9-172.4164.5-177.20112.2N195 S197 L198 N234 K235N195-K237 PolarHBondContact O-NZ 2.91Å; S197-K237 CarbonylContact C-O 3.42Å; S197-K237 WeakPolarHBondContact CA-O 3.18Å; S197-K237 WeakPolarHBondContact CB-O 3.44Å; L198-K237 PolarHBondContact N-O 3.08Å; N234-K237 HydrophobicContact CB-CB 4.26Å; N234-K237 HydrophobicContact CB-CD 4.5Å; N234-K237 HydrophobicContact CB-CG 4.4Å; N234-K237 CarbonylContact O-C 3.41Å; N234-K237 PolarHBondContact O-N 3.44Å; K235-K237 PolarHBondContact O-N 3.23Å
238V98.3Very high97.8Very high1 Ų141.4 Ų41.41%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-99.1130.6176.1-179.60000109.7I119 L198 L211 L215 N234 I240I119-V238 HydrophobicContact CB-CB 4.13Å; I119-V238 HydrophobicContact CB-CG1 4.49Å; I119-V238 HydrophobicContact CD1-CB 4.26Å; I119-V238 HydrophobicContact CD1-CG1 3.83Å; I119-V238 HydrophobicContact CG2-CB 3.77Å; I119-V238 HydrophobicContact CG2-CG1 3.99Å; I119-V238 HydrophobicContact CG2-CG2 4.15Å; L198-V238 HydrophobicContact CB-CG2 4.24Å; L198-V238 HydrophobicContact CD2-CG1 4.1Å; L211-V238 HydrophobicContact CD1-CG1 4.27Å; L211-V238 HydrophobicContact CD2-CG1 3.6Å; L211-V238 HydrophobicContact CG-CG1 4.42Å; L215-V238 HydrophobicContact CD1-CG2 4.13Å; N234-V238 WeakPolarHBondContact O-CG2 2.96Å; V238-I240 HydrophobicContact CG1-CD1 4.31Å
239L98.4Very high97.8Very high16 Ų1636.4 Ų36.48%0.08418%0.178CC..EExtended strand (participates in β ladder)trans-126144.4-178-52.4173.7000109L79 L124 Y125 L198 V199 L200L79-L239 HydrophobicContact CD1-CB 4.27Å; L79-L239 HydrophobicContact CD1-CD1 4.03Å; L79-L239 HydrophobicContact CD1-CD2 4.47Å; L79-L239 HydrophobicContact CD1-CG 4.48Å; L79-L239 HydrophobicContact CD2-CB 4.14Å; L124-L239 HydrophobicContact CD1-CD1 4.48Å; L124-L239 HydrophobicContact CD1-CD2 3.41Å; L124-L239 VanDerWaalsContact CD1-CD2 3.41Å; L124-L239 HydrophobicContact CG-CD2 4.37Å; Y125-L239 HydrophobicContact CE2-CD1 4.04Å; Y125-L239 WeakPolarHBondContact OH-CD1 3.48Å; L198-L239 PolarHBondContact O-N 3.33Å; V199-L239 CarbonylContact C-O 3.55Å; V199-L239 WeakPolarHBondContact CA-O 3.34Å; V199-L239 HydrophobicContact CG2-CB 4.28Å; V199-L239 HydrophobicContact CG2-CD1 4.11Å; L200-L239 PolarHBondContact N-O 3.31Å
240I98.4Very high97.8Very high2 Ų235.4 Ų35.41%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-114.7122.7-178.8-48.7-63.1000108.6L79 M80 L115 I119 L200 P202 L208 L211 V238 N242L79-I240 CarbonylContact C-O 3.6Å; L79-I240 VanDerWaalsContact CA-O 3.28Å; L79-I240 WeakPolarHBondContact CA-O 3.36Å; M80-I240 HydrophobicContact CB-CB 4.11Å; M80-I240 HydrophobicContact CB-CG2 4.26Å; M80-I240 HydrophobicContact CE-CB 4.11Å; M80-I240 HydrophobicContact CE-CG1 4.39Å; M80-I240 HydrophobicContact CE-CG2 3.67Å; M80-I240 PolarHBondContact N-O 2.76Å; M80-I240 HydrophobicContact SD-CG2 4.5Å; L115-I240 HydrophobicContact CD1-CD1 4.46Å; L115-I240 HydrophobicContact CD2-CD1 3.98Å; L115-I240 HydrophobicContact CD2-CG1 3.86Å; I119-I240 HydrophobicContact CD1-CD1 3.73Å; I119-I240 HydrophobicContact CD1-CG1 3.71Å; L200-I240 HydrophobicContact CB-CD1 3.99Å; L200-I240 HydrophobicContact CD2-CD1 4.03Å; P202-I240 HydrophobicContact CG-CG2 4.06Å; L208-I240 HydrophobicContact CD2-CG2 3.82Å; L211-I240 HydrophobicContact CD2-CD1 3.37Å; V238-I240 HydrophobicContact CG1-CD1 4.31Å; I240-N242 PolarHBondContact O-N 2.71Å
241Y98.1Very high97.7Very high1 Ų132.6 Ų32.60%0.00416%0.16CC..BIsolated β-bridgetrans-64.7126.5173.6-159.4-76.6000109.5V199 L200 I201 P202 P243 F245 F246 L266 L270V199-Y241 HydrophobicContact CG1-CD2 4.49Å; L200-Y241 VanDerWaalsContact O-CB 3.24Å; L200-Y241 WeakPolarHBondContact O-CB 3.46Å; L200-Y241 PolarHBondContact O-N 2.77Å; I201-Y241 HydrophobicContact CD1-CD2 4.42Å; I201-Y241 HydrophobicContact CG1-CD2 3.98Å; I201-Y241 HydrophobicContact CG1-CG 4.05Å; P202-Y241 WeakPolarHBondContact CD-O 3.33Å; Y241-P243 WeakPolarHBondContact O-CD 3.45Å; Y241-F245 HydrophobicContact CD1-CD1 4.47Å; Y241-F245 AromaticContact CE1-CD1 3.53Å; Y241-F245 HydrophobicContact CE1-CD1 3.53Å; Y241-F245 HydrophobicContact CE1-CE1 4.27Å; Y241-F245 HydrophobicContact CE2-CD1 4.4Å; Y241-F245 HydrophobicContact CE2-CE1 4.49Å; Y241-F245 AromaticContact CZ-CD1 3.48Å; Y241-F245 VanDerWaalsContact CZ-CD1 3.48Å; Y241-F245 AromaticContact CZ-CE1 3.75Å; Y241-F245 VanDerWaalsContact OH-CD1 3.25Å; Y241-F245 WeakPolarHBondContact OH-CD1 3.41Å; Y241-F245 WeakPolarHBondContact OH-CE1 3.41Å; Y241-F246 HydrophobicContact CD1-CB 4.25Å; Y241-F246 HydrophobicContact CE1-CB 4.01Å; Y241-L266 HydrophobicContact CE1-CD2 3.93Å; Y241-L266 HydrophobicContact CE2-CB 3.98Å; Y241-L266 VanDerWaalsContact OH-CD2 3.26Å; Y241-L266 WeakPolarHBondContact OH-CD2 3.39Å; Y241-L266 PolarHBondContact OH-O 2.02Å; Y241-L270 HydrophobicContact CE2-CB 4.06Å
242N97.5Very high97.7Very high5 Ų534 Ų343%0.02717%0.171CC..  trans-72.9124.4-172.8-169.4-39.6000111.1H77 P78 M80 N84 I240 T244 F245 F246H77-N242 VanDerWaalsContact O-CB 3.3Å; H77-N242 WeakPolarHBondContact O-CB 3.37Å; P78-N242 PolarHBondContact O-N 3.31Å; M80-N242 HydrophobicContact CB-CB 4.28Å; N84-N242 PolarHBondContact OD1-ND2 3.31Å; I240-N242 PolarHBondContact O-N 2.71Å; N242-T244 PolarHBondContact O-N 3.25Å; N242-T244 VanDerWaalsContact OD1-CB 3.26Å; N242-T244 WeakPolarHBondContact OD1-CB 3.3Å; N242-T244 PolarHBondContact OD1-N 3.01Å; N242-T244 PolarHBondContact OD1-OG1 2.03Å; N242-F245 HydrophobicContact CB-CB 4.01Å; N242-F245 WeakPolarHBondContact O-CA 3.42Å; N242-F245 WeakPolarHBondContact O-CB 3.45Å; N242-F245 PolarHBondContact O-N 3.47Å; N242-F246 PolarHBondContact O-N 2.83Å
243P97Very high97.7Very high0 Ų026.9 Ų26.90%014%0.14CC..Hα-helixtrans-57.6-32.1175.8-27.937.1000114.7L87 W95 P202 Y241 F246 K247L87-P243 HydrophobicContact CD1-CB 3.96Å; L87-P243 HydrophobicContact CD1-CG 4.21Å; L87-P243 HydrophobicContact CD2-CB 3.91Å; L87-P243 HydrophobicContact CD2-CG 4.34Å; W95-P243 HydrophobicContact CD2-CB 4.22Å; W95-P243 HydrophobicContact CD2-CG 4.43Å; W95-P243 HydrophobicContact CG-CB 3.93Å; W95-P243 HydrophobicContact CZ2-CG 4.45Å; P202-P243 HydrophobicContact CG-CG 4.43Å; Y241-P243 WeakPolarHBondContact O-CD 3.45Å; P243-F246 WeakPolarHBondContact O-CB 3.35Å; P243-F246 PolarHBondContact O-N 3.14Å; P243-K247 PolarHBondContact O-N 2.68Å
244T97.4Very high97.7Very high45 Ų4525.9 Ų25.928%0.27613%0.132SC..Hα-helixtrans-64.6-43.5173.1-58.90000111I76 L87 N242 F246 K247 Y248I76-T244 HydrophobicContact CG2-CG2 4.28Å; L87-T244 WeakPolarHBondContact CD2-OG1 3.32Å; N242-T244 PolarHBondContact O-N 3.25Å; N242-T244 VanDerWaalsContact OD1-CB 3.26Å; N242-T244 WeakPolarHBondContact OD1-CB 3.3Å; N242-T244 PolarHBondContact OD1-N 3.01Å; N242-T244 PolarHBondContact OD1-OG1 2.03Å; T244-F246 VanDerWaalsContact C-N 3.32Å; T244-K247 PolarHBondContact O-N 2.7Å; T244-Y248 WeakPolarHBondContact O-CB 3.35Å; T244-Y248 PolarHBondContact O-N 2.75Å
245F98.1Very high97.6Very high0 Ų030.7 Ų30.70%015%0.153CC..Hα-helixtrans-67.5-34.7175.1-172.5-104.3000111.9I76 H77 P78 Y241 N242 Y248 V249 L269 H273I76-F245 HydrophobicContact CB-CD2 4.27Å; I76-F245 HydrophobicContact CG2-CB 4.16Å; I76-F245 HydrophobicContact CG2-CD2 3.83Å; I76-F245 HydrophobicContact CG2-CG 4.49Å; I76-F245 WeakPolarHBondContact O-CD2 3.21Å; H77-F245 WeakPolarHBondContact O-CB 3.48Å; P78-F245 VanDerWaalsContact CA-CG 3.44Å; P78-F245 HydrophobicContact CB-CD1 3.72Å; P78-F245 HydrophobicContact CB-CD2 4.08Å; P78-F245 HydrophobicContact CB-CE1 3.68Å; P78-F245 HydrophobicContact CB-CE2 4.04Å; P78-F245 HydrophobicContact CB-CG 3.95Å; P78-F245 HydrophobicContact CB-CZ 3.87Å; Y241-F245 HydrophobicContact CD1-CD1 4.47Å; Y241-F245 AromaticContact CE1-CD1 3.53Å; Y241-F245 HydrophobicContact CE1-CD1 3.53Å; Y241-F245 HydrophobicContact CE1-CE1 4.27Å; Y241-F245 HydrophobicContact CE2-CD1 4.4Å; Y241-F245 HydrophobicContact CE2-CE1 4.49Å; Y241-F245 AromaticContact CZ-CD1 3.48Å; Y241-F245 VanDerWaalsContact CZ-CD1 3.48Å; Y241-F245 AromaticContact CZ-CE1 3.75Å; Y241-F245 VanDerWaalsContact OH-CD1 3.25Å; Y241-F245 WeakPolarHBondContact OH-CD1 3.41Å; Y241-F245 WeakPolarHBondContact OH-CE1 3.41Å; N242-F245 HydrophobicContact CB-CB 4.01Å; N242-F245 WeakPolarHBondContact O-CA 3.42Å; N242-F245 WeakPolarHBondContact O-CB 3.45Å; N242-F245 PolarHBondContact O-N 3.47Å; F245-Y248 AromaticContact CD2-CD1 3.52Å; F245-Y248 HydrophobicContact CD2-CD1 3.52Å; F245-Y248 AromaticContact CD2-CE1 3.95Å; F245-Y248 HydrophobicContact CD2-CE1 3.95Å; F245-Y248 AromaticContact CE2-CD1 3.55Å; F245-Y248 HydrophobicContact CE2-CD1 3.55Å; F245-Y248 AromaticContact CE2-CE1 3.49Å; F245-Y248 HydrophobicContact CE2-CE1 3.49Å; F245-Y248 VanDerWaalsContact CE2-CE1 3.49Å; F245-Y248 HydrophobicContact CG-CD1 4.23Å; F245-Y248 HydrophobicContact CZ-CD1 4.28Å; F245-Y248 HydrophobicContact CZ-CE1 4.14Å; F245-Y248 WeakPolarHBondContact O-CB 3.41Å; F245-Y248 PolarHBondContact O-N 2.65Å; F245-V249 HydrophobicContact CD1-CG2 4.12Å; F245-V249 HydrophobicContact CE1-CG2 3.8Å; F245-V249 HydrophobicContact CZ-CG2 4.14Å; F245-V249 WeakPolarHBondContact O-CG2 3.49Å; F245-V249 PolarHBondContact O-N 3.07Å; F245-L269 HydrophobicContact CE1-CB 4.31Å; F245-L269 HydrophobicContact CZ-CB 4.36Å; F245-H273 AromaticContact CE2-CD2 3.61Å; F245-H273 AromaticContact CE2-CE1 3.69Å; F245-H273 AromaticContact CE2-CG 3.72Å; F245-H273 AromaticContact CE2-ND1 3.78Å; F245-H273 AromaticContact CE2-NE2 3.59Å; F245-H273 HydrophobicContact CZ-CB 4.33Å; F245-H273 AromaticContact CZ-CE1 3.63Å; F245-H273 AromaticContact CZ-CG 3.68Å; F245-H273 AromaticContact CZ-ND1 3.41Å; F245-H273 WeakPolarHBondContact CZ-ND1 3.45Å
246F97.7Very high97.5Very high1 Ų128.6 Ų28.60%0.00416%0.155CC..Hα-helixtrans-59.5-49.8173.2-165.4171.1000111.3W94 L99 I201 F203 Y241 N242 P243 T244 Y248 V249 H250 Y260 P261 L266W94-F246 AromaticContact CH2-CD2 3.92Å; W94-F246 HydrophobicContact CH2-CD2 3.92Å; W94-F246 HydrophobicContact CH2-CE2 4.24Å; W94-F246 HydrophobicContact CH2-CG 4.16Å; W94-F246 HydrophobicContact CZ3-CB 4.45Å; W94-F246 HydrophobicContact CZ3-CG 4.32Å; L99-F246 HydrophobicContact CD1-CD1 4.18Å; L99-F246 HydrophobicContact CD1-CE1 3.82Å; L99-F246 HydrophobicContact CD1-CZ 4.3Å; L99-F246 HydrophobicContact CD2-CE1 4.44Å; L99-F246 HydrophobicContact CD2-CZ 4.11Å; I201-F246 HydrophobicContact CG2-CD1 4.35Å; I201-F246 HydrophobicContact CG2-CE1 4Å; F203-F246 AromaticContact CD1-CE1 3.73Å; F203-F246 HydrophobicContact CD1-CE1 3.73Å; F203-F246 AromaticContact CD1-CZ 3.84Å; F203-F246 HydrophobicContact CD1-CZ 3.84Å; F203-F246 AromaticContact CE1-CE1 3.82Å; F203-F246 HydrophobicContact CE1-CE1 3.82Å; F203-F246 AromaticContact CE1-CZ 3.62Å; F203-F246 HydrophobicContact CE1-CZ 3.62Å; Y241-F246 HydrophobicContact CD1-CB 4.25Å; Y241-F246 HydrophobicContact CE1-CB 4.01Å; N242-F246 PolarHBondContact O-N 2.83Å; P243-F246 WeakPolarHBondContact O-CB 3.35Å; P243-F246 PolarHBondContact O-N 3.14Å; T244-F246 VanDerWaalsContact C-N 3.32Å; F246-Y248 VanDerWaalsContact C-N 3.32Å; F246-Y248 PolarHBondContact O-N 3.4Å; F246-V249 PolarHBondContact O-N 2.9Å; F246-H250 PolarHBondContact O-N 3.47Å; F246-Y260 HydrophobicContact CZ-CD2 4.36Å; F246-P261 HydrophobicContact CD2-CG 4.11Å; F246-P261 HydrophobicContact CE2-CB 4.09Å; F246-P261 HydrophobicContact CE2-CG 3.81Å; F246-L266 HydrophobicContact CD2-CD1 4.03Å; F246-L266 HydrophobicContact CD2-CD2 3.53Å; F246-L266 HydrophobicContact CD2-CG 4.42Å; F246-L266 HydrophobicContact CE1-CD1 4.27Å; F246-L266 HydrophobicContact CE2-CD1 3.58Å; F246-L266 HydrophobicContact CE2-CD2 3.8Å; F246-L266 HydrophobicContact CE2-CG 4.25Å; F246-L266 HydrophobicContact CG-CD2 4.25Å; F246-L266 HydrophobicContact CZ-CD1 3.74Å
247K97.4Very high97.4Very high15 Ų1526.1 Ų26.17%0.06514%0.139CC..Hα-helixtrans-59-44.3175-175.4172.9-176.7-77.10111.7E90 T91 W94 P243 T244 V249 H250 E251E90-K247 WeakPolarHBondContact OE1-CE 3.05Å; E90-K247 IonicContact OE1-NZ 3.85Å; E90-K247 PolarHBondContact OE1-NZ 3.47Å; T91-K247 HydrophobicContact CG2-CB 4.41Å; T91-K247 HydrophobicContact CG2-CD 4.15Å; W94-K247 HydrophobicContact CB-CD 4.11Å; W94-K247 HydrophobicContact CD2-CB 4.13Å; W94-K247 HydrophobicContact CD2-CD 4.13Å; W94-K247 HydrophobicContact CD2-CG 3.91Å; W94-K247 HydrophobicContact CE3-CB 3.68Å; W94-K247 HydrophobicContact CE3-CD 4.23Å; W94-K247 HydrophobicContact CE3-CG 3.99Å; W94-K247 HydrophobicContact CG-CD 4.06Å; W94-K247 HydrophobicContact CG-CG 4.26Å; W94-K247 HydrophobicContact CH2-CB 4.24Å; W94-K247 HydrophobicContact CZ3-CB 3.74Å; W94-K247 HydrophobicContact CZ3-CG 4.43Å; P243-K247 PolarHBondContact O-N 2.68Å; T244-K247 PolarHBondContact O-N 2.7Å; K247-V249 VanDerWaalsContact C-N 3.32Å; K247-V249 PolarHBondContact O-N 2.86Å; K247-H250 WeakPolarHBondContact O-CB 3.32Å; K247-H250 PolarHBondContact O-N 3.29Å; K247-H250 VanDerWaalsContact O-N 3.08Å; K247-E251 WeakPolarHBondContact CE-OE1 3Å; K247-E251 HydrophobicContact CG-CG 4.26Å; K247-E251 IonicContact NZ-OE1 3.58Å; K247-E251 PolarHBondContact NZ-OE1 3.14Å; K247-E251 IonicContact NZ-OE2 3.34Å; K247-E251 PolarHBondContact NZ-OE2 3.33Å; K247-E251 PolarHBondContact O-N 2.99Å
248Y98.2Very high97.1Very high12 Ų1224.4 Ų24.45%0.04714%0.14CC..Hα-helixtrans-56-43.7174.9157.5-109.4000112.8H71 F72 N73 I76 T244 F245 F246 H250 E251 S252 W253 H273H71-Y248 VanDerWaalsContact O-CE2 3.27Å; H71-Y248 WeakPolarHBondContact O-CE2 3.23Å; H71-Y248 VanDerWaalsContact O-CZ 3.28Å; H71-Y248 PolarHBondContact O-OH 3.22Å; F72-Y248 WeakPolarHBondContact CA-OH 3.45Å; N73-Y248 HydrophobicContact CB-CE2 4.09Å; N73-Y248 PolarHBondContact N-OH 2.91Å; I76-Y248 HydrophobicContact CB-CD1 4.47Å; I76-Y248 HydrophobicContact CD1-CD1 4.25Å; I76-Y248 HydrophobicContact CD1-CD2 3.42Å; I76-Y248 VanDerWaalsContact CD1-CD2 3.42Å; I76-Y248 HydrophobicContact CD1-CE2 3.98Å; I76-Y248 HydrophobicContact CD1-CG 3.56Å; I76-Y248 HydrophobicContact CG2-CD1 4.32Å; I76-Y248 HydrophobicContact CG2-CG 4.3Å; T244-Y248 WeakPolarHBondContact O-CB 3.35Å; T244-Y248 PolarHBondContact O-N 2.75Å; F245-Y248 AromaticContact CD2-CD1 3.52Å; F245-Y248 HydrophobicContact CD2-CD1 3.52Å; F245-Y248 AromaticContact CD2-CE1 3.95Å; F245-Y248 HydrophobicContact CD2-CE1 3.95Å; F245-Y248 AromaticContact CE2-CD1 3.55Å; F245-Y248 HydrophobicContact CE2-CD1 3.55Å; F245-Y248 AromaticContact CE2-CE1 3.49Å; F245-Y248 HydrophobicContact CE2-CE1 3.49Å; F245-Y248 VanDerWaalsContact CE2-CE1 3.49Å; F245-Y248 HydrophobicContact CG-CD1 4.23Å; F245-Y248 HydrophobicContact CZ-CD1 4.28Å; F245-Y248 HydrophobicContact CZ-CE1 4.14Å; F245-Y248 WeakPolarHBondContact O-CB 3.41Å; F245-Y248 PolarHBondContact O-N 2.65Å; F246-Y248 VanDerWaalsContact C-N 3.32Å; F246-Y248 PolarHBondContact O-N 3.4Å; Y248-H250 VanDerWaalsContact C-N 3.34Å; Y248-H250 PolarHBondContact O-N 3.07Å; Y248-E251 PolarHBondContact O-N 2.89Å; Y248-S252 WeakPolarHBondContact CD2-OG 3.41Å; Y248-S252 VanDerWaalsContact O-CB 3.32Å; Y248-S252 WeakPolarHBondContact O-CB 3.35Å; Y248-S252 PolarHBondContact O-N 2.92Å; Y248-W253 AromaticContact CE1-NE1 3.54Å; Y248-W253 AromaticContact CE2-NE1 3.87Å; Y248-W253 AromaticContact CZ-CD1 3.88Å; Y248-W253 AromaticContact CZ-NE1 3.19Å; Y248-W253 PolarHBondContact OH-NE1 3.15Å; Y248-H273 AromaticContact CE1-CE1 3.86Å; Y248-H273 AromaticContact CE1-NE2 3.67Å
249V98.4Very high96.8Very high0 Ų030.6 Ų30.60%016%0.163CC..Iπ-helixtrans-62-42.5174.9174.30000111.3F245 F246 K247 W253 L254 P261 F265 L266 L269F245-V249 HydrophobicContact CD1-CG2 4.12Å; F245-V249 HydrophobicContact CE1-CG2 3.8Å; F245-V249 HydrophobicContact CZ-CG2 4.14Å; F245-V249 WeakPolarHBondContact O-CG2 3.49Å; F245-V249 PolarHBondContact O-N 3.07Å; F246-V249 PolarHBondContact O-N 2.9Å; K247-V249 VanDerWaalsContact C-N 3.32Å; K247-V249 PolarHBondContact O-N 2.86Å; V249-W253 VanDerWaalsContact O-CB 3.3Å; V249-W253 WeakPolarHBondContact O-CB 3.44Å; V249-W253 PolarHBondContact O-N 3.14Å; V249-L254 PolarHBondContact O-N 2.89Å; V249-P261 HydrophobicContact CB-CG 4.38Å; V249-P261 HydrophobicContact CG1-CB 4.17Å; V249-P261 HydrophobicContact CG1-CG 3.86Å; V249-F265 HydrophobicContact CG1-CD1 3.7Å; V249-F265 HydrophobicContact CG1-CE1 3.8Å; V249-L266 HydrophobicContact CB-CD2 4.08Å; V249-L266 HydrophobicContact CG1-CD2 3.96Å; V249-L266 HydrophobicContact CG2-CD2 4.38Å; V249-L269 HydrophobicContact CG1-CB 4.35Å; V249-L269 HydrophobicContact CG1-CD2 4.49Å; V249-L269 HydrophobicContact CG1-CG 3.91Å; V249-L269 HydrophobicContact CG2-CB 3.7Å; V249-L269 HydrophobicContact CG2-CD1 4.47Å; V249-L269 HydrophobicContact CG2-CG 3.83Å
250H97.4Very high96.5Very high16 Ų1630.8 Ų30.87%0.07416%0.163CC..Iπ-helixtrans-64.4-43.4178.4-175.1-136.1000112.9W94 F246 K247 Y248 L254 E255 G256 G258 P261W94-H250 AromaticContact CE2-ND1 3.61Å; W94-H250 HydrophobicContact CH2-CB 4.22Å; W94-H250 HydrophobicContact CZ2-CB 3.66Å; W94-H250 AromaticContact CZ2-CG 3.73Å; W94-H250 AromaticContact CZ2-ND1 3.37Å; W94-H250 WeakPolarHBondContact CZ2-ND1 3.16Å; W94-H250 AromaticContact NE1-CE1 3.93Å; W94-H250 AromaticContact NE1-ND1 3.29Å; W94-H250 PolarHBondContact NE1-ND1 3.24Å; F246-H250 PolarHBondContact O-N 3.47Å; K247-H250 WeakPolarHBondContact O-CB 3.32Å; K247-H250 PolarHBondContact O-N 3.29Å; K247-H250 VanDerWaalsContact O-N 3.08Å; Y248-H250 VanDerWaalsContact C-N 3.34Å; Y248-H250 PolarHBondContact O-N 3.07Å; H250-L254 CarbonylContact O-C 3.59Å; H250-L254 WeakPolarHBondContact O-CB 3.47Å; H250-L254 PolarHBondContact O-N 2.88Å; H250-E255 PolarHBondContact O-N 3.48Å; H250-G256 VanDerWaalsContact NE2-C 3.32Å; H250-G256 WeakPolarHBondContact NE2-CA 3.48Å; H250-G256 PolarHBondContact NE2-O 3.42Å; H250-G256 PolarHBondContact O-N 2.84Å; H250-G258 PolarHBondContact NE2-O 2.89Å; H250-P261 HydrophobicContact CB-CG 3.92Å
251E97Very high96.4Very high86 Ų8630.7 Ų30.740%0.40216%0.162SC..Iπ-helixtrans-84.5-50-173.1-68.3-179.2158.300112.6K247 Y248 E255K247-E251 WeakPolarHBondContact CE-OE1 3Å; K247-E251 HydrophobicContact CG-CG 4.26Å; K247-E251 IonicContact NZ-OE1 3.58Å; K247-E251 PolarHBondContact NZ-OE1 3.14Å; K247-E251 IonicContact NZ-OE2 3.34Å; K247-E251 PolarHBondContact NZ-OE2 3.33Å; K247-E251 PolarHBondContact O-N 2.99Å; Y248-E251 PolarHBondContact O-N 2.89Å; E251-E255 WeakPolarHBondContact O-CA 3.37Å; E251-E255 PolarHBondContact O-N 3.16Å
252S97.8Very high96.3Very high46 Ų4631.7 Ų31.732%0.32217%0.17SC..Iπ-helixtrans-81.9-29.2-174.3-61.60000113H71 Y248H71-S252 PolarHBondContact CD2-O 3.23Å; H71-S252 PolarHBondContact NE2-O 2.96Å; Y248-S252 WeakPolarHBondContact CD2-OG 3.41Å; Y248-S252 VanDerWaalsContact O-CB 3.32Å; Y248-S252 WeakPolarHBondContact O-CB 3.35Å; Y248-S252 PolarHBondContact O-N 2.92Å
253W98.1Very high96.2Very high1 Ų131.9 Ų31.90%0.00417%0.171CC..Iπ-helixtrans-105.7-30.4-176.5-65.382.8000114.2W67 F68 H71 F72 Y248 V249 F265 L269 V318 L322W67-W253 HydrophobicContact CH2-CZ3 4.16Å; W67-W253 HydrophobicContact CZ3-CZ3 4.44Å; F68-W253 AromaticContact CD2-CH2 3.77Å; F68-W253 HydrophobicContact CD2-CH2 3.77Å; F68-W253 HydrophobicContact CD2-CZ3 4.27Å; F68-W253 AromaticContact CE2-CH2 3.56Å; F68-W253 HydrophobicContact CE2-CH2 3.56Å; F68-W253 HydrophobicContact CE2-CZ3 4.3Å; F68-W253 HydrophobicContact CZ-CH2 4.39Å; H71-W253 HydrophobicContact CB-CD2 4.09Å; H71-W253 HydrophobicContact CB-CE3 4.1Å; H71-W253 HydrophobicContact CB-CH2 4.02Å; H71-W253 HydrophobicContact CB-CZ2 4.02Å; H71-W253 HydrophobicContact CB-CZ3 4.05Å; H71-W253 PolarHBondContact O-NE1 3.41Å; F72-W253 HydrophobicContact CB-CH2 4.2Å; F72-W253 HydrophobicContact CB-CZ2 3.91Å; F72-W253 HydrophobicContact CD2-CH2 4.33Å; F72-W253 AromaticContact CD2-CZ2 3.9Å; F72-W253 HydrophobicContact CD2-CZ2 3.9Å; F72-W253 HydrophobicContact CG-CZ2 4.41Å; Y248-W253 AromaticContact CE1-NE1 3.54Å; Y248-W253 AromaticContact CE2-NE1 3.87Å; Y248-W253 AromaticContact CZ-CD1 3.88Å; Y248-W253 AromaticContact CZ-NE1 3.19Å; Y248-W253 PolarHBondContact OH-NE1 3.15Å; V249-W253 VanDerWaalsContact O-CB 3.3Å; V249-W253 WeakPolarHBondContact O-CB 3.44Å; V249-W253 PolarHBondContact O-N 3.14Å; W253-F265 HydrophobicContact CB-CE1 3.85Å; W253-F265 HydrophobicContact CB-CZ 4.16Å; W253-L269 HydrophobicContact CD2-CD1 3.47Å; W253-L269 VanDerWaalsContact CD2-CD1 3.47Å; W253-L269 HydrophobicContact CD2-CG 4.44Å; W253-L269 HydrophobicContact CE3-CD1 4.06Å; W253-L269 HydrophobicContact CG-CD1 3.76Å; W253-L269 HydrophobicContact CG-CG 4.35Å; W253-L269 HydrophobicContact CH2-CD1 4.34Å; W253-L269 HydrophobicContact CZ2-CD1 3.78Å; W253-L269 HydrophobicContact CZ3-CD1 4.47Å; W253-V318 HydrophobicContact CE3-CG1 4.27Å; W253-L322 HydrophobicContact CH2-CD2 4.36Å; W253-L322 HydrophobicContact CZ3-CD1 4.35Å; W253-L322 HydrophobicContact CZ3-CD2 3.9Å; W253-L322 HydrophobicContact CZ3-CG 4.43Å
254L97.4Very high96.3Very high2 Ų232.5 Ų32.51%0.0118%0.177CC..THydrogen-bonded Turntrans-107.4-2.2-179.9-59.1-174.3000113.4V249 H250 G256 H257 P261 F265 Y314 E315V249-L254 PolarHBondContact O-N 2.89Å; H250-L254 CarbonylContact O-C 3.59Å; H250-L254 WeakPolarHBondContact O-CB 3.47Å; H250-L254 PolarHBondContact O-N 2.88Å; L254-G256 PolarHBondContact O-N 3.26Å; L254-H257 WeakPolarHBondContact O-CB 3.31Å; L254-H257 PolarHBondContact O-CD2 2.91Å; L254-H257 VanDerWaalsContact O-CD2 3.25Å; L254-H257 PolarHBondContact O-N 2.92Å; L254-P261 HydrophobicContact CD1-CB 3.75Å; L254-P261 HydrophobicContact CD1-CG 3.66Å; L254-F265 HydrophobicContact CD1-CD1 4.03Å; L254-F265 HydrophobicContact CD1-CE1 4.23Å; L254-F265 HydrophobicContact CD2-CD1 3.86Å; L254-F265 HydrophobicContact CD2-CE1 3.39Å; L254-F265 HydrophobicContact CD2-CE2 4.16Å; L254-F265 HydrophobicContact CD2-CG 4.41Å; L254-F265 HydrophobicContact CD2-CZ 3.56Å; L254-F265 HydrophobicContact CG-CD1 4.04Å; L254-F265 HydrophobicContact CG-CE1 3.71Å; L254-F265 HydrophobicContact CG-CZ 4.37Å; L254-Y314 HydrophobicContact CB-CE1 4.45Å; L254-Y314 HydrophobicContact CD2-CD1 3.85Å; L254-Y314 HydrophobicContact CD2-CE1 4.13Å; L254-E315 HydrophobicContact CD1-CG 3.94Å; L254-E315 HydrophobicContact CD2-CG 3.78Å
255E96.6Very high96.3Very high126 Ų12630.4 Ų30.459%0.58916%0.164SC*.THydrogen-bonded Turntrans50.731.4-178.9-60.2178.7-138.500112.9H250 E251 H257 Y314H250-E255 PolarHBondContact O-N 3.48Å; E251-E255 WeakPolarHBondContact O-CA 3.37Å; E251-E255 PolarHBondContact O-N 3.16Å; E255-H257 VanDerWaalsContact C-N 3.33Å; E255-H257 PolarHBondContact O-N 3.26Å; E255-Y314 WeakPolarHBondContact CG-OH 3.48Å; E255-Y314 PolarHBondContact OE1-OH 3.48Å
256G94.3Very high96.3Very high37 Ų3730.4 Ų30.438%0.38116%0.164SC..THydrogen-bonded Turntrans78.95.6-177.300000115.7H250 L254 G258H250-G256 VanDerWaalsContact NE2-C 3.32Å; H250-G256 WeakPolarHBondContact NE2-CA 3.48Å; H250-G256 PolarHBondContact NE2-O 3.42Å; H250-G256 PolarHBondContact O-N 2.84Å; L254-G256 PolarHBondContact O-N 3.26Å; G256-G258 VanDerWaalsContact O-O 3.11Å
257H94.1Very high96.4Very high72 Ų7230.3 Ų30.333%0.33316%0.164SC..  trans-64.7138.2177.6-81.7-104.9000112.7L254 E255 D311 Y314L254-H257 WeakPolarHBondContact O-CB 3.31Å; L254-H257 PolarHBondContact O-CD2 2.91Å; L254-H257 VanDerWaalsContact O-CD2 3.25Å; L254-H257 PolarHBondContact O-N 2.92Å; E255-H257 VanDerWaalsContact C-N 3.33Å; E255-H257 PolarHBondContact O-N 3.26Å; H257-D311 HydrophobicContact CB-CB 3.97Å; H257-D311 IonicContact CG-OD2 3.14Å; H257-D311 IonicContact ND1-OD2 3.36Å; H257-D311 PolarHBondContact ND1-OD2 3.48Å; H257-Y314 HydrophobicContact CB-CD1 4.14Å; H257-Y314 HydrophobicContact CB-CD2 4.23Å; H257-Y314 HydrophobicContact CB-CG 3.94Å; H257-Y314 AromaticContact CD2-CD2 3.71Å; H257-Y314 AromaticContact CD2-CE2 3.49Å; H257-Y314 VanDerWaalsContact CD2-CE2 3.49Å; H257-Y314 WeakPolarHBondContact CD2-CE2 3.3Å; H257-Y314 AromaticContact CD2-CZ 3.9Å; H257-Y314 AromaticContact CE1-CD2 3.62Å; H257-Y314 AromaticContact CE1-CE2 3.86Å; H257-Y314 AromaticContact CG-CD2 3.57Å; H257-Y314 AromaticContact CG-CE2 3.86Å; H257-Y314 AromaticContact CG-CG 3.8Å; H257-Y314 AromaticContact ND1-CD2 3.51Å; H257-Y314 AromaticContact ND1-CG 3.96Å; H257-Y314 AromaticContact NE2-CD2 3.77Å; H257-Y314 AromaticContact NE2-CE2 3.52Å
258G91.4Very high96.4Very high29 Ų2929.6 Ų29.630%0.29916%0.161SC..SBendtrans69.3174.6-170.100000112.6H250 G256H250-G258 PolarHBondContact NE2-O 2.89Å; G256-G258 VanDerWaalsContact O-O 3.11Å
259R91.2Very high96.4Very high130 Ų13029 Ų2949%0.49116%0.159SC..SBendtrans-71.3-37.7174.7-168-176.7173.9159.82111.2W98 L99 V309W98-R259 VanDerWaalsContact O-CZ 3.29Å; W98-R259 PolarHBondContact O-NE 3.33Å; W98-R259 PolarHBondContact O-NH2 3.49Å; L99-R259 PolarHBondContact O-NE 2.54Å; L99-R259 VanDerWaalsContact O-NE 3.16Å; L99-R259 PolarHBondContact O-NH2 2.79Å; L99-R259 VanDerWaalsContact O-NH2 3.11Å; R259-V309 WeakPolarHBondContact CA-O 3.39Å; R259-V309 VanDerWaalsContact CB-O 3.3Å; R259-V309 WeakPolarHBondContact CB-O 3.28Å; R259-V309 PolarHBondContact N-O 2.87Å
260Y93.1Very high96.4Very high21 Ų2129.1 Ų29.18%0.08216%0.159CC..SBendtrans-164.2159.1172.744.4-96.2000111.5L99 Q100 F203 F246 V309 H310L99-Y260 HydrophobicContact CB-CD1 4.33Å; L99-Y260 HydrophobicContact CD2-CD1 3.4Å; L99-Y260 VanDerWaalsContact CD2-CD1 3.4Å; L99-Y260 HydrophobicContact CD2-CD2 4.4Å; L99-Y260 HydrophobicContact CD2-CE1 4.32Å; L99-Y260 HydrophobicContact CD2-CG 3.46Å; L99-Y260 VanDerWaalsContact CD2-CG 3.46Å; L99-Y260 HydrophobicContact CG-CD1 4.49Å; L99-Y260 WeakPolarHBondContact O-CE1 3.36Å; Q100-Y260 PolarHBondContact NE2-OH 3.3Å; F203-Y260 HydrophobicContact CD1-CD2 4.23Å; F203-Y260 AromaticContact CD1-CE2 3.97Å; F203-Y260 HydrophobicContact CD1-CE2 3.97Å; F203-Y260 AromaticContact CE1-CD2 3.93Å; F203-Y260 HydrophobicContact CE1-CD2 3.93Å; F203-Y260 AromaticContact CE1-CE2 3.78Å; F203-Y260 HydrophobicContact CE1-CE2 3.78Å; F246-Y260 HydrophobicContact CZ-CD2 4.36Å; Y260-V309 HydrophobicContact CD1-CG1 4.36Å; Y260-V309 HydrophobicContact CD2-CG1 4.2Å; Y260-V309 HydrophobicContact CE1-CG1 3.74Å; Y260-V309 HydrophobicContact CE2-CG1 3.55Å; Y260-V309 PolarHBondContact N-O 3.31Å; Y260-V309 WeakPolarHBondContact OH-CG1 3.43Å; Y260-H310 AromaticContact CD2-CE1 3.46Å; Y260-H310 VanDerWaalsContact CD2-CE1 3.46Å; Y260-H310 WeakPolarHBondContact CD2-CE1 3.32Å; Y260-H310 AromaticContact CD2-ND1 3.84Å; Y260-H310 AromaticContact CE2-CE1 3.38Å; Y260-H310 WeakPolarHBondContact CE2-CE1 3.45Å; Y260-H310 PolarHBondContact O-ND1 2.81Å
261P95.7Very high96.5Very high0 Ų028.4 Ų28.40%016%0.155CC..  trans-54.7145.5174.7-23.422.3000114.7F246 V249 H250 L254 F265 L266 H310 E315F246-P261 HydrophobicContact CD2-CG 4.11Å; F246-P261 HydrophobicContact CE2-CB 4.09Å; F246-P261 HydrophobicContact CE2-CG 3.81Å; V249-P261 HydrophobicContact CB-CG 4.38Å; V249-P261 HydrophobicContact CG1-CB 4.17Å; V249-P261 HydrophobicContact CG1-CG 3.86Å; H250-P261 HydrophobicContact CB-CG 3.92Å; L254-P261 HydrophobicContact CD1-CB 3.75Å; L254-P261 HydrophobicContact CD1-CG 3.66Å; P261-F265 HydrophobicContact CB-CD1 4.49Å; P261-L266 HydrophobicContact CB-CD1 4.29Å; P261-L266 HydrophobicContact CB-CD2 3.75Å; P261-L266 HydrophobicContact CB-CG 3.79Å; P261-L266 HydrophobicContact CG-CD2 4.1Å; P261-H310 PolarHBondContact O-CE1 2.83Å; P261-E315 WeakPolarHBondContact CA-OE1 3.24Å
262S95.9Very high96.5Very high22 Ų2224.4 Ų24.415%0.15414%0.137CC..  trans-72.3158.6171.580.20000112.6G264 F265 L266 H310 E315S262-G264 PolarHBondContact O-N 2.87Å; S262-G264 PolarHBondContact OG-N 3Å; S262-F265 PolarHBondContact O-N 2.92Å; S262-F265 PolarHBondContact OG-N 2.85Å; S262-L266 WeakPolarHBondContact O-CG 3.28Å; S262-L266 PolarHBondContact O-N 3.05Å; S262-H310 PolarHBondContact N-ND1 3.01Å; S262-E315 WeakPolarHBondContact CB-OE2 3.34Å; S262-E315 PolarHBondContact N-OE1 3.29Å; S262-E315 PolarHBondContact OG-OE2 3.31Å
263T96.9Very high96.5Very high8 Ų823.2 Ų23.25%0.04913%0.126CC..Hα-helixtrans-56.5-34.5173.3-52.40000112.6M163 N164 V183 Y185 I201 S267M163-T263 HydrophobicContact CB-CG2 3.88Å; M163-T263 HydrophobicContact CG-CG2 4.49Å; M163-T263 HydrophobicContact SD-CG2 4.34Å; N164-T263 WeakPolarHBondContact OD1-CG2 3.33Å; V183-T263 HydrophobicContact CB-CG2 4.44Å; V183-T263 HydrophobicContact CG1-CG2 3.83Å; Y185-T263 WeakPolarHBondContact CE1-OG1 3.45Å; I201-T263 HydrophobicContact CD1-CG2 3.98Å; T263-S267 WeakPolarHBondContact O-CB 3.44Å; T263-S267 PolarHBondContact O-N 3.15Å; T263-S267 PolarHBondContact O-OG 3.16Å
264G97.2Very high96.4Very high13 Ų1323.3 Ų23.313%0.13413%0.127CC..Hα-helixtrans-62.8-49.7176.700000111.8M163 S262 S267 L268 F283M163-G264 WeakPolarHBondContact SD-CA 3.17Å; S262-G264 PolarHBondContact O-N 2.87Å; S262-G264 PolarHBondContact OG-N 3Å; G264-S267 PolarHBondContact O-N 3.33Å; G264-L268 PolarHBondContact O-N 3.32Å; G264-F283 WeakPolarHBondContact O-CE1 3.5Å; G264-F283 WeakPolarHBondContact O-CZ 3.36Å
265F98Very high96.3Very high1 Ų123.6 Ų23.60%0.00413%0.129CC..Hα-helixtrans-66.9-42.5179.2-159.4-101.4000111.8V249 W253 L254 P261 S262 S267 L268 L269 E315 V318V249-F265 HydrophobicContact CG1-CD1 3.7Å; V249-F265 HydrophobicContact CG1-CE1 3.8Å; W253-F265 HydrophobicContact CB-CE1 3.85Å; W253-F265 HydrophobicContact CB-CZ 4.16Å; L254-F265 HydrophobicContact CD1-CD1 4.03Å; L254-F265 HydrophobicContact CD1-CE1 4.23Å; L254-F265 HydrophobicContact CD2-CD1 3.86Å; L254-F265 HydrophobicContact CD2-CE1 3.39Å; L254-F265 HydrophobicContact CD2-CE2 4.16Å; L254-F265 HydrophobicContact CD2-CG 4.41Å; L254-F265 HydrophobicContact CD2-CZ 3.56Å; L254-F265 HydrophobicContact CG-CD1 4.04Å; L254-F265 HydrophobicContact CG-CE1 3.71Å; L254-F265 HydrophobicContact CG-CZ 4.37Å; P261-F265 HydrophobicContact CB-CD1 4.49Å; S262-F265 PolarHBondContact O-N 2.92Å; S262-F265 PolarHBondContact OG-N 2.85Å; F265-S267 VanDerWaalsContact C-N 3.3Å; F265-S267 PolarHBondContact O-N 2.83Å; F265-L268 WeakPolarHBondContact O-CB 3.45Å; F265-L268 PolarHBondContact O-N 3.16Å; F265-L268 VanDerWaalsContact O-N 3.16Å; F265-L269 HydrophobicContact CD1-CD2 3.66Å; F265-L269 HydrophobicContact CD1-CG 4.44Å; F265-L269 HydrophobicContact CD2-CD2 4.35Å; F265-L269 HydrophobicContact CE1-CD2 3.35Å; F265-L269 HydrophobicContact CE1-CG 4.11Å; F265-L269 HydrophobicContact CE2-CD2 4.09Å; F265-L269 HydrophobicContact CG-CD2 4.15Å; F265-L269 HydrophobicContact CZ-CD2 3.58Å; F265-L269 VanDerWaalsContact O-CD2 3.28Å; F265-L269 WeakPolarHBondContact O-CD2 3.27Å; F265-L269 PolarHBondContact O-N 3.34Å; F265-E315 HydrophobicContact CB-CB 4.46Å; F265-E315 HydrophobicContact CB-CG 4.07Å; F265-E315 HydrophobicContact CD2-CB 3.81Å; F265-E315 HydrophobicContact CD2-CG 4.02Å; F265-E315 HydrophobicContact CE2-CB 4.36Å; F265-E315 HydrophobicContact CG-CB 4.24Å; F265-E315 HydrophobicContact CG-CG 3.95Å; F265-V318 HydrophobicContact CE2-CB 3.99Å; F265-V318 HydrophobicContact CE2-CG1 3.95Å; F265-V318 HydrophobicContact CZ-CB 4.04Å; F265-V318 HydrophobicContact CZ-CG1 3.66Å
266L98.6Very high96.3Very high0 Ų017.8 Ų17.80%010%0.102CC..Hα-helixtrans-59.9-39.5174.7-66.9168.8000112.4I201 Y241 F246 V249 P261 S262 L269 L270I201-L266 HydrophobicContact CD1-CB 3.93Å; I201-L266 HydrophobicContact CD1-CD1 3.8Å; I201-L266 HydrophobicContact CG2-CD1 4.06Å; Y241-L266 HydrophobicContact CE1-CD2 3.93Å; Y241-L266 HydrophobicContact CE2-CB 3.98Å; Y241-L266 VanDerWaalsContact OH-CD2 3.26Å; Y241-L266 WeakPolarHBondContact OH-CD2 3.39Å; Y241-L266 PolarHBondContact OH-O 2.02Å; F246-L266 HydrophobicContact CD2-CD1 4.03Å; F246-L266 HydrophobicContact CD2-CD2 3.53Å; F246-L266 HydrophobicContact CD2-CG 4.42Å; F246-L266 HydrophobicContact CE1-CD1 4.27Å; F246-L266 HydrophobicContact CE2-CD1 3.58Å; F246-L266 HydrophobicContact CE2-CD2 3.8Å; F246-L266 HydrophobicContact CE2-CG 4.25Å; F246-L266 HydrophobicContact CG-CD2 4.25Å; F246-L266 HydrophobicContact CZ-CD1 3.74Å; V249-L266 HydrophobicContact CB-CD2 4.08Å; V249-L266 HydrophobicContact CG1-CD2 3.96Å; V249-L266 HydrophobicContact CG2-CD2 4.38Å; P261-L266 HydrophobicContact CB-CD1 4.29Å; P261-L266 HydrophobicContact CB-CD2 3.75Å; P261-L266 HydrophobicContact CB-CG 3.79Å; P261-L266 HydrophobicContact CG-CD2 4.1Å; S262-L266 WeakPolarHBondContact O-CG 3.28Å; S262-L266 PolarHBondContact O-N 3.05Å; L266-L269 PolarHBondContact O-N 3.19Å; L266-L270 WeakPolarHBondContact O-CB 3.36Å; L266-L270 PolarHBondContact O-N 3.16Å
267S98.7Very high96.4Very high0 Ų017.6 Ų17.60%09%0.091CC..Hα-helixtrans-66.6-38176.7-570000112.3M163 V183 T263 G264 F265 A271M163-S267 VanDerWaalsContact CE-CB 3.48Å; M163-S267 WeakPolarHBondContact CE-OG 3.09Å; V183-S267 WeakPolarHBondContact CG2-OG 3.44Å; T263-S267 WeakPolarHBondContact O-CB 3.44Å; T263-S267 PolarHBondContact O-N 3.15Å; T263-S267 PolarHBondContact O-OG 3.16Å; G264-S267 PolarHBondContact O-N 3.33Å; F265-S267 VanDerWaalsContact C-N 3.3Å; F265-S267 PolarHBondContact O-N 2.83Å; S267-A271 PolarHBondContact O-N 3.17Å
268L98.8Very high96.7Very high0 Ų014.2 Ų14.20%08%0.075CC..Hα-helixtrans-62.4-46.2173174.358.8000111.1G264 F265 A271 L272 V278 V280 F283 T319 L322 I328G264-L268 PolarHBondContact O-N 3.32Å; F265-L268 WeakPolarHBondContact O-CB 3.45Å; F265-L268 PolarHBondContact O-N 3.16Å; F265-L268 VanDerWaalsContact O-N 3.16Å; L268-A271 WeakPolarHBondContact O-CB 3.47Å; L268-A271 PolarHBondContact O-N 2.97Å; L268-A271 VanDerWaalsContact O-N 3.13Å; L268-L272 HydrophobicContact CD1-CG 4.42Å; L268-L272 HydrophobicContact CG-CD1 4.38Å; L268-L272 WeakPolarHBondContact O-CG 3.32Å; L268-L272 PolarHBondContact O-N 3.12Å; L268-V278 HydrophobicContact CD1-CG1 4.07Å; L268-V280 HydrophobicContact CD1-CG2 3.57Å; L268-F283 HydrophobicContact CB-CE1 4.33Å; L268-F283 HydrophobicContact CB-CZ 4.39Å; L268-T319 HydrophobicContact CD2-CG2 3.93Å; L268-L322 HydrophobicContact CD2-CD1 4.24Å; L268-I328 HydrophobicContact CD1-CG2 4.21Å
269L98.6Very high97Very high0 Ų013.1 Ų13.10%06%0.063CC..Hα-helixtrans-69.9-35.2-178-86.9-66.7000112.6F245 V249 W253 F265 L266 A271 L272 H273F245-L269 HydrophobicContact CE1-CB 4.31Å; F245-L269 HydrophobicContact CZ-CB 4.36Å; V249-L269 HydrophobicContact CG1-CB 4.35Å; V249-L269 HydrophobicContact CG1-CD2 4.49Å; V249-L269 HydrophobicContact CG1-CG 3.91Å; V249-L269 HydrophobicContact CG2-CB 3.7Å; V249-L269 HydrophobicContact CG2-CD1 4.47Å; V249-L269 HydrophobicContact CG2-CG 3.83Å; W253-L269 HydrophobicContact CD2-CD1 3.47Å; W253-L269 VanDerWaalsContact CD2-CD1 3.47Å; W253-L269 HydrophobicContact CD2-CG 4.44Å; W253-L269 HydrophobicContact CE3-CD1 4.06Å; W253-L269 HydrophobicContact CG-CD1 3.76Å; W253-L269 HydrophobicContact CG-CG 4.35Å; W253-L269 HydrophobicContact CH2-CD1 4.34Å; W253-L269 HydrophobicContact CZ2-CD1 3.78Å; W253-L269 HydrophobicContact CZ3-CD1 4.47Å; F265-L269 HydrophobicContact CD1-CD2 3.66Å; F265-L269 HydrophobicContact CD1-CG 4.44Å; F265-L269 HydrophobicContact CD2-CD2 4.35Å; F265-L269 HydrophobicContact CE1-CD2 3.35Å; F265-L269 HydrophobicContact CE1-CG 4.11Å; F265-L269 HydrophobicContact CE2-CD2 4.09Å; F265-L269 HydrophobicContact CG-CD2 4.15Å; F265-L269 HydrophobicContact CZ-CD2 3.58Å; F265-L269 VanDerWaalsContact O-CD2 3.28Å; F265-L269 WeakPolarHBondContact O-CD2 3.27Å; F265-L269 PolarHBondContact O-N 3.34Å; L266-L269 PolarHBondContact O-N 3.19Å; L269-A271 VanDerWaalsContact C-N 3.34Å; L269-L272 HydrophobicContact CD1-CD1 4.01Å; L269-L272 PolarHBondContact O-N 2.61Å; L269-H273 PolarHBondContact O-N 3.38Å; L269-H273 PolarHBondContact O-ND1 3.24Å
270L98.5Very high97.3Very high2 Ų27 Ų71%0.014%0.04CC..Hα-helixtrans-56.2-49.5167.1174.864.5000110.8P78 L79 V199 Y241 L266 L272 H273 I274P78-L270 HydrophobicContact CB-CD1 3.73Å; P78-L270 HydrophobicContact CG-CD1 4.12Å; L79-L270 HydrophobicContact CD2-CD1 4.1Å; L79-L270 HydrophobicContact CG-CD1 4.29Å; V199-L270 HydrophobicContact CG1-CD2 4.03Å; V199-L270 HydrophobicContact CG2-CD2 4.47Å; Y241-L270 HydrophobicContact CE2-CB 4.06Å; L266-L270 WeakPolarHBondContact O-CB 3.36Å; L266-L270 PolarHBondContact O-N 3.16Å; L270-L272 PolarHBondContact O-N 2.97Å; L270-H273 PolarHBondContact O-N 3.23Å; L270-H273 VanDerWaalsContact O-N 3.14Å; L270-I274 HydrophobicContact CD1-CD1 4.23Å; L270-I274 HydrophobicContact CD1-CG2 3.98Å; L270-I274 HydrophobicContact CG-CD1 4.09Å; L270-I274 WeakPolarHBondContact O-CG1 3.09Å; L270-I274 PolarHBondContact O-N 2.81Å
271A98.3Very high97.6Very high0 Ų06 Ų60%04%0.036CC..Hα-helixtrans-60-43.8179.700000112.2V138 I161 S267 L268 L269 H273 I274 C275 V278V138-A271 HydrophobicContact CG2-CB 3.37Å; I161-A271 HydrophobicContact CD1-CB 3.84Å; S267-A271 PolarHBondContact O-N 3.17Å; L268-A271 WeakPolarHBondContact O-CB 3.47Å; L268-A271 PolarHBondContact O-N 2.97Å; L268-A271 VanDerWaalsContact O-N 3.13Å; L269-A271 VanDerWaalsContact C-N 3.34Å; A271-H273 PolarHBondContact O-N 3.29Å; A271-I274 PolarHBondContact O-N 3.42Å; A271-C275 WeakPolarHBondContact O-CA 3.01Å; A271-C275 WeakPolarHBondContact O-CB 3.29Å; A271-C275 PolarHBondContact O-N 3.28Å; A271-C275 PolarHBondContact O-SG 3.29Å; A271-V278 HydrophobicContact CB-CG1 4.11Å; A271-V278 HydrophobicContact CB-CG2 4.05Å
272L97.4Very high97.7Very high2 Ų26.1 Ų6.11%0.014%0.038CC..Hα-helixtrans-59.2-28177.7-72.2173.5000113.3V59 F72 L268 L269 L270 V278 L322 I328V59-L272 HydrophobicContact CG1-CB 4.23Å; V59-L272 HydrophobicContact CG1-CD2 3.64Å; V59-L272 WeakPolarHBondContact CG1-O 3.44Å; V59-L272 HydrophobicContact CG2-CD2 4.04Å; F72-L272 HydrophobicContact CE2-CB 4.29Å; F72-L272 WeakPolarHBondContact CE2-O 3.35Å; L268-L272 HydrophobicContact CD1-CG 4.42Å; L268-L272 HydrophobicContact CG-CD1 4.38Å; L268-L272 WeakPolarHBondContact O-CG 3.32Å; L268-L272 PolarHBondContact O-N 3.12Å; L269-L272 HydrophobicContact CD1-CD1 4.01Å; L269-L272 PolarHBondContact O-N 2.61Å; L270-L272 PolarHBondContact O-N 2.97Å; L272-V278 HydrophobicContact CD2-CB 4.47Å; L272-V278 HydrophobicContact CD2-CG2 4.25Å; L272-L322 HydrophobicContact CD1-CD1 3.9Å; L272-L322 HydrophobicContact CD1-CD2 4.26Å; L272-I328 HydrophobicContact CD2-CG2 3.67Å
273H96.8Very high97.6Very high21 Ų216 Ų610%0.0974%0.035CC..Hα-helixtrans-94.3-21.9-179-70.871.2000113.6F72 P78 F245 Y248 L269 L270 A271F72-H273 AromaticContact CD2-CE1 3.64Å; F72-H273 AromaticContact CD2-NE2 3.75Å; F72-H273 AromaticContact CE2-CD2 3.9Å; F72-H273 AromaticContact CE2-CE1 3.54Å; F72-H273 AromaticContact CE2-CG 3.98Å; F72-H273 AromaticContact CE2-ND1 3.75Å; F72-H273 AromaticContact CE2-NE2 3.63Å; P78-H273 HydrophobicContact CG-CB 4.12Å; F245-H273 AromaticContact CE2-CD2 3.61Å; F245-H273 AromaticContact CE2-CE1 3.69Å; F245-H273 AromaticContact CE2-CG 3.72Å; F245-H273 AromaticContact CE2-ND1 3.78Å; F245-H273 AromaticContact CE2-NE2 3.59Å; F245-H273 HydrophobicContact CZ-CB 4.33Å; F245-H273 AromaticContact CZ-CE1 3.63Å; F245-H273 AromaticContact CZ-CG 3.68Å; F245-H273 AromaticContact CZ-ND1 3.41Å; F245-H273 WeakPolarHBondContact CZ-ND1 3.45Å; Y248-H273 AromaticContact CE1-CE1 3.86Å; Y248-H273 AromaticContact CE1-NE2 3.67Å; L269-H273 PolarHBondContact O-N 3.38Å; L269-H273 PolarHBondContact O-ND1 3.24Å; L270-H273 PolarHBondContact O-N 3.23Å; L270-H273 VanDerWaalsContact O-N 3.14Å; A271-H273 PolarHBondContact O-N 3.29Å
274I96.3Very high97.2Very high4 Ų46 Ų62%0.0214%0.036CC..Hα-helixtrans-106.8-7.3-179.476.3-179.9000113.5P78 Y125 R134 F159 I161 L270 A271P78-I274 HydrophobicContact CG-CG2 3.98Å; Y125-I274 HydrophobicContact CD1-CB 4.16Å; Y125-I274 HydrophobicContact CD1-CD1 4.42Å; Y125-I274 HydrophobicContact CD2-CG2 4.06Å; Y125-I274 HydrophobicContact CE1-CD1 4.21Å; Y125-I274 HydrophobicContact CG-CB 4.01Å; Y125-I274 HydrophobicContact CG-CG2 3.96Å; R134-I274 WeakPolarHBondContact CD-O 3.36Å; R134-I274 PolarHBondContact NH1-O 3.13Å; F159-I274 HydrophobicContact CD2-CD1 4.39Å; I161-I274 HydrophobicContact CD1-CD1 4.37Å; L270-I274 HydrophobicContact CD1-CD1 4.23Å; L270-I274 HydrophobicContact CD1-CG2 3.98Å; L270-I274 HydrophobicContact CG-CD1 4.09Å; L270-I274 WeakPolarHBondContact O-CG1 3.09Å; L270-I274 PolarHBondContact O-N 2.81Å; A271-I274 PolarHBondContact O-N 3.42Å
275C96.6Very high96.7Very high7 Ų76.5 Ų6.55%0.0474%0.039CC..  trans-123156-173.3-49.90000112.2C136 A271 V278C136-C275 HydrophobicContact CB-CB 3.63Å; C136-C275 WeakPolarHBondContact CB-SG 3.46Å; C136-C275 WeakPolarHBondContact SG-CB 3.27Å; C136-C275 CovalentContact SG-SG 1.99Å; C136-C275 PolarHBondContact SG-SG 3.38Å; A271-C275 WeakPolarHBondContact O-CA 3.01Å; A271-C275 WeakPolarHBondContact O-CB 3.29Å; A271-C275 PolarHBondContact O-N 3.28Å; A271-C275 PolarHBondContact O-SG 3.29Å; C275-V278 HydrophobicContact CB-CG2 3.8Å
276D96.4Very high96Very high4 Ų47.3 Ų7.32%0.0214%0.043CC..SBendtrans-95.9-31.6179.4-53.8-38.5000111.1C53 C55 C58 V59 R132 C133 R134C53-D276 HydrophobicContact CB-CB 3.8Å; C55-D276 WeakPolarHBondContact SG-CB 3.5Å; C58-D276 CarbonylContact C-O 3.6Å; C58-D276 WeakPolarHBondContact CA-O 3.28Å; V59-D276 WeakPolarHBondContact CG2-O 3.42Å; V59-D276 PolarHBondContact N-O 3.43Å; R132-D276 IonicContact CZ-OD1 2.84Å; R132-D276 IonicContact CZ-OD2 2.68Å; R132-D276 VanDerWaalsContact CZ-OD2 3.24Å; R132-D276 IonicContact NE-OD2 2.7Å; R132-D276 IonicContact NH1-OD1 3.3Å; R132-D276 PolarHBondContact NH1-OD1 3.32Å; R132-D276 VanDerWaalsContact NH1-OD1 3.14Å; R132-D276 IonicContact NH1-OD2 3.27Å; R132-D276 PolarHBondContact NH1-OD2 2.97Å; R132-D276 IonicContact NH2-OD1 3.05Å; R132-D276 PolarHBondContact NH2-OD1 3.39Å; R132-D276 VanDerWaalsContact NH2-OD1 3.07Å; R132-D276 IonicContact NH2-OD2 3.47Å; C133-D276 WeakPolarHBondContact CA-OD2 3.28Å; R134-D276 PolarHBondContact N-OD2 2.75Å; R134-D276 PolarHBondContact O-N 2.97Å
277E97Very high95.3Very high33 Ų3315.2 Ų15.215%0.1547%0.073CC..EExtended strand (participates in β ladder)trans-131.7133.1172.7-175.3179.8111.200109.8C55 R134 S135 C136 R329C55-E277 HydrophobicContact CB-CB 4.46Å; R134-E277 PolarHBondContact O-N 3.26Å; R134-E277 VanDerWaalsContact O-N 3.14Å; S135-E277 CarbonylContact C-O 3.56Å; S135-E277 WeakPolarHBondContact CA-O 3.22Å; C136-E277 PolarHBondContact N-O 2.89Å; E277-R329 VanDerWaalsContact CD-CZ 3.42Å; E277-R329 VanDerWaalsContact CD-NH1 3.29Å; E277-R329 IonicContact OE1-CZ 3.82Å; E277-R329 VanDerWaalsContact OE1-CZ 3.27Å; E277-R329 IonicContact OE1-NH1 3.31Å; E277-R329 PolarHBondContact OE1-NH1 2.91Å; E277-R329 IonicContact OE1-NH2 3.07Å; E277-R329 PolarHBondContact OE1-NH2 2.94Å; E277-R329 IonicContact OE2-CZ 3.24Å; E277-R329 IonicContact OE2-NH1 3.26Å; E277-R329 PolarHBondContact OE2-NH1 3Å; E277-R329 IonicContact OE2-NH2 3.47Å; E277-R329 PolarHBondContact OE2-NH2 3.39Å
278V98.4Very high94.6Very high1 Ų122.8 Ų22.81%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-124.6125.6-176.9177.80000110.9V59 C136 V138 L268 A271 L272 C275 V280 I328 R329V59-V278 HydrophobicContact CG2-CG2 4.11Å; C136-V278 HydrophobicContact CB-CG2 4.45Å; C136-V278 WeakPolarHBondContact O-CA 3.29Å; V138-V278 HydrophobicContact CG2-CG1 4.01Å; L268-V278 HydrophobicContact CD1-CG1 4.07Å; A271-V278 HydrophobicContact CB-CG1 4.11Å; A271-V278 HydrophobicContact CB-CG2 4.05Å; L272-V278 HydrophobicContact CD2-CB 4.47Å; L272-V278 HydrophobicContact CD2-CG2 4.25Å; C275-V278 HydrophobicContact CB-CG2 3.8Å; V278-V280 HydrophobicContact CG1-CG2 4.03Å; V278-I328 HydrophobicContact CB-CG2 4.04Å; V278-I328 HydrophobicContact CG1-CG2 4.01Å; V278-I328 CarbonylContact O-C 3.55Å; V278-I328 VanDerWaalsContact O-CA 3.31Å; V278-I328 WeakPolarHBondContact O-CA 3.3Å; V278-R329 PolarHBondContact O-N 3.47Å
279S98.6Very high93.8Very high7 Ų725 Ų255%0.04913%0.126CC..EExtended strand (participates in β ladder)trans-112134.2171.4-66.20000109.9C136 A137 V138 R329C136-S279 PolarHBondContact O-N 3.41Å; A137-S279 CarbonylContact C-O 3.54Å; A137-S279 WeakPolarHBondContact CA-O 3.24Å; V138-S279 PolarHBondContact N-O 2.86Å; S279-R329 CarbonylContact C-O 3.59Å; S279-R329 WeakPolarHBondContact CA-O 3.49Å
280V98.6Very high92.9Very high0 Ų027.5 Ų27.50%014%0.139CC..EExtended strand (participates in β ladder)trans-118.9127-172.7-178.10000109.8L268 V278 F283 I328 R329 M330 F331L268-V280 HydrophobicContact CD1-CG2 3.57Å; V278-V280 HydrophobicContact CG1-CG2 4.03Å; V280-F283 HydrophobicContact CG1-CB 4.05Å; V280-F283 HydrophobicContact CG1-CD1 4.05Å; V280-F283 HydrophobicContact CG1-CD2 3.28Å; V280-F283 HydrophobicContact CG1-CE1 4.33Å; V280-F283 HydrophobicContact CG1-CE2 3.62Å; V280-F283 HydrophobicContact CG1-CG 3.53Å; V280-F283 HydrophobicContact CG1-CZ 4.13Å; V280-I328 HydrophobicContact CB-CD1 4.4Å; V280-I328 HydrophobicContact CG2-CB 4.24Å; V280-I328 HydrophobicContact CG2-CD1 3.77Å; V280-I328 HydrophobicContact CG2-CG2 4.48Å; V280-R329 PolarHBondContact N-O 2.73Å; V280-M330 HydrophobicContact CB-SD 4.08Å; V280-M330 HydrophobicContact CG1-SD 3.94Å; V280-F331 PolarHBondContact O-N 3.41Å
281F98.6Very high92.1Very high0 Ų030.5 Ų30.50%015%0.151CC..EExtended strand (participates in β ladder)trans-130.6144.1-176.8-56.1-94000109.6A137 V138 G140 L145 Y150 L153 I154 F283 F331A137-F281 HydrophobicContact CB-CD2 4.23Å; A137-F281 HydrophobicContact CB-CE2 3.93Å; V138-F281 PolarHBondContact O-N 3.16Å; G140-F281 PolarHBondContact N-O 3.12Å; L145-F281 HydrophobicContact CD2-CB 3.95Å; Y150-F281 HydrophobicContact CD1-CE1 4.47Å; Y150-F281 AromaticContact CD2-CD1 3.63Å; Y150-F281 HydrophobicContact CD2-CD1 3.63Å; Y150-F281 HydrophobicContact CD2-CE1 4.23Å; Y150-F281 HydrophobicContact CE2-CD1 4.23Å; Y150-F281 AromaticContact CG-CD1 3.86Å; Y150-F281 HydrophobicContact CG-CD1 3.86Å; Y150-F281 HydrophobicContact CG-CE1 4.04Å; L153-F281 HydrophobicContact CD2-CE1 3.85Å; L153-F281 HydrophobicContact CD2-CZ 3.87Å; L153-F281 HydrophobicContact CG-CE1 4.32Å; L153-F281 HydrophobicContact CG-CZ 3.98Å; I154-F281 HydrophobicContact CD1-CB 4.37Å; I154-F281 HydrophobicContact CD1-CD1 4.29Å; I154-F281 HydrophobicContact CD1-CD2 4.43Å; I154-F281 HydrophobicContact CD1-CG 4.13Å; I154-F281 HydrophobicContact CG1-CD1 4.11Å; I154-F281 HydrophobicContact CG1-CD2 3.86Å; I154-F281 HydrophobicContact CG1-CE1 4.15Å; I154-F281 HydrophobicContact CG1-CE2 3.9Å; I154-F281 HydrophobicContact CG1-CG 3.98Å; I154-F281 HydrophobicContact CG1-CZ 4.05Å; F281-F283 WeakPolarHBondContact O-CD2 3.33Å; F281-F283 PolarHBondContact O-N 3.31Å; F281-F331 HydrophobicContact CD1-CB 3.45Å; F281-F331 VanDerWaalsContact CD1-CB 3.45Å; F281-F331 HydrophobicContact CD1-CD1 4.42Å; F281-F331 AromaticContact CD1-CD2 3.8Å; F281-F331 HydrophobicContact CD1-CD2 3.8Å; F281-F331 AromaticContact CD1-CG 3.64Å; F281-F331 HydrophobicContact CD1-CG 3.64Å; F281-F331 HydrophobicContact CE1-CB 3.67Å; F281-F331 AromaticContact CE1-CD1 3.78Å; F281-F331 HydrophobicContact CE1-CD1 3.78Å; F281-F331 AromaticContact CE1-CD2 3.27Å; F281-F331 HydrophobicContact CE1-CD2 3.27Å; F281-F331 HydrophobicContact CE1-CE1 4.25Å; F281-F331 AromaticContact CE1-CE2 3.8Å; F281-F331 HydrophobicContact CE1-CE2 3.8Å; F281-F331 AromaticContact CE1-CG 3.26Å; F281-F331 HydrophobicContact CE1-CG 3.26Å; F281-F331 HydrophobicContact CE1-CZ 4.26Å; F281-F331 HydrophobicContact CE2-CD2 4.09Å; F281-F331 HydrophobicContact CE2-CE2 4.36Å; F281-F331 HydrophobicContact CG-CB 4.26Å; F281-F331 HydrophobicContact CG-CD2 4.4Å; F281-F331 AromaticContact CZ-CD2 3.43Å; F281-F331 HydrophobicContact CZ-CD2 3.43Å; F281-F331 VanDerWaalsContact CZ-CD2 3.43Å; F281-F331 AromaticContact CZ-CE2 3.58Å; F281-F331 HydrophobicContact CZ-CE2 3.58Å; F281-F331 AromaticContact CZ-CG 3.95Å; F281-F331 HydrophobicContact CZ-CG 3.95Å; F281-F331 HydrophobicContact CZ-CZ 4.21Å
282G96.9Very high91.5Very high3 Ų330.9 Ų30.93%0.03115%0.152CC..SBendtrans74.725172.700000115.1G140 N141 S142 N144G140-G282 CarbonylContact C-O 3.41Å; G140-G282 VanDerWaalsContact C-O 3.32Å; G140-G282 WeakPolarHBondContact CA-O 3.5Å; N141-G282 PolarHBondContact N-O 3.1Å; S142-G282 VanDerWaalsContact CB-C 3.45Å; S142-G282 WeakPolarHBondContact CB-O 3.19Å; S142-G282 PolarHBondContact N-O 2.8Å; N144-G282 VanDerWaalsContact OD1-CA 3.31Å; N144-G282 WeakPolarHBondContact OD1-CA 3.1Å
283F94.9Very high91.3Very high21 Ų2132.2 Ų32.29%0.09216%0.158CC..  trans-103.8148.3174.3-80.6-121.7000110.1V138 N144 M163 G264 L268 V280 F281 T319 M330V138-F283 HydrophobicContact CG1-CE2 3.86Å; V138-F283 HydrophobicContact CG1-CZ 3.8Å; N144-F283 PolarHBondContact ND2-O 3.27Å; M163-F283 HydrophobicContact CE-CZ 4.42Å; G264-F283 WeakPolarHBondContact O-CE1 3.5Å; G264-F283 WeakPolarHBondContact O-CZ 3.36Å; L268-F283 HydrophobicContact CB-CE1 4.33Å; L268-F283 HydrophobicContact CB-CZ 4.39Å; V280-F283 HydrophobicContact CG1-CB 4.05Å; V280-F283 HydrophobicContact CG1-CD1 4.05Å; V280-F283 HydrophobicContact CG1-CD2 3.28Å; V280-F283 HydrophobicContact CG1-CE1 4.33Å; V280-F283 HydrophobicContact CG1-CE2 3.62Å; V280-F283 HydrophobicContact CG1-CG 3.53Å; V280-F283 HydrophobicContact CG1-CZ 4.13Å; F281-F283 WeakPolarHBondContact O-CD2 3.33Å; F281-F283 PolarHBondContact O-N 3.31Å; F283-T319 HydrophobicContact CD1-CG2 4.43Å; F283-M330 HydrophobicContact CB-CE 3.69Å
284G88.9Confident91.1Very high7 Ų731.3 Ų31.37%0.07215%0.154CC..SBendtrans79.4-171.7-179.200000114.4S142 Y316S142-G284 WeakPolarHBondContact CB-O 3.32Å; S142-G284 PolarHBondContact OG-O 2.68Å; G284-Y316 VanDerWaalsContact CA-CE2 3.43Å
285A85.9Confident91Very high24 Ų2434 Ų3420%0.19816%0.164CC..  trans-76.9169.1175.300000112.6N144 W291N144-A285 PolarHBondContact ND2-O 2.91Å; A285-W291 HydrophobicContact CB-CD2 4.34Å; A285-W291 HydrophobicContact CB-CZ2 4.31Å
286D83.7Confident90.4Very high18 Ų1836.7 Ų36.710%0.09618%0.176CC..  trans-71.8173.7163.376.88.5000112N144 Y288 G289 N290 H292 R334N144-D286 HydrophobicContact CB-CB 4.32Å; D286-Y288 PolarHBondContact O-N 3.27Å; D286-Y288 VanDerWaalsContact OD1-CA 3.3Å; D286-Y288 WeakPolarHBondContact OD1-CA 3.21Å; D286-Y288 WeakPolarHBondContact OD1-CB 3.48Å; D286-Y288 PolarHBondContact OD1-N 3.18Å; D286-G289 PolarHBondContact O-N 3.19Å; D286-G289 PolarHBondContact OD1-N 3.11Å; D286-N290 PolarHBondContact N-O 3.1Å; D286-N290 WeakPolarHBondContact OD1-CB 3.46Å; D286-N290 PolarHBondContact OD1-N 3.49Å; D286-N290 PolarHBondContact OD1-ND2 3.07Å; D286-N290 WeakPolarHBondContact OD2-CB 3.36Å; D286-N290 PolarHBondContact OD2-ND2 2.72Å; D286-H292 IonicContact OD2-CE1 3.68Å; D286-H292 PolarHBondContact OD2-CE1 2.74Å; D286-H292 VanDerWaalsContact OD2-CE1 3.24Å; D286-H292 IonicContact OD2-ND1 3.8Å; D286-R334 WeakPolarHBondContact CA-O 3.33Å; D286-R334 WeakPolarHBondContact CB-O 3.27Å
287R84.2Confident89.3Confident165 Ų16542.9 Ų42.962%0.62321%0.214SC*.THydrogen-bonded Turntrans-59.3-15.1179.174.2-176.2165.1-160.54.2115R334R287-R334 WeakPolarHBondContact CB-OXT 3.49Å; R287-R334 WeakPolarHBondContact CD-OXT 3.15Å; R287-R334 WeakPolarHBondContact CG-OXT 2.93Å; R287-R334 PolarHBondContact N-O 2.99Å; R287-R334 PolarHBondContact N-OXT 3.42Å; R287-R334 PolarHBondContact NE-OXT 3.25Å
288Y83.3Confident88Confident159 Ų15945.5 Ų45.562%0.62423%0.229SC*.THydrogen-bonded Turntrans-98-0179.5-55.8-71.1000111.9D286 N290D286-Y288 PolarHBondContact O-N 3.27Å; D286-Y288 VanDerWaalsContact OD1-CA 3.3Å; D286-Y288 WeakPolarHBondContact OD1-CA 3.21Å; D286-Y288 WeakPolarHBondContact OD1-CB 3.48Å; D286-Y288 PolarHBondContact OD1-N 3.18Å; Y288-N290 WeakPolarHBondContact CB-ND2 3.47Å
289G81.6Confident86.2Confident48 Ų4850.1 Ų50.150%0.49525%0.25SS..SBendtrans8211.6-177.300000114D286D286-G289 PolarHBondContact O-N 3.19Å; D286-G289 PolarHBondContact OD1-N 3.11Å
290N80.8Confident84.2Confident52 Ų5257 Ų5728%0.27829%0.286SS..  trans-83135.8179-50.3-55.6000111.2D286 Y288D286-N290 PolarHBondContact N-O 3.1Å; D286-N290 WeakPolarHBondContact OD1-CB 3.46Å; D286-N290 PolarHBondContact OD1-N 3.49Å; D286-N290 PolarHBondContact OD1-ND2 3.07Å; D286-N290 WeakPolarHBondContact OD2-CB 3.36Å; D286-N290 PolarHBondContact OD2-ND2 2.72Å; Y288-N290 WeakPolarHBondContact CB-ND2 3.47Å
291W81.9Confident82.1Confident65 Ų6557.5 Ų57.525%0.24629%0.29CS..  trans-100.5111169.8-67.181.6000108.1A285 A301A285-W291 HydrophobicContact CB-CD2 4.34Å; A285-W291 HydrophobicContact CB-CZ2 4.31Å; W291-A301 CarbonylContact O-C 3.57Å; W291-A301 WeakPolarHBondContact O-CB 3.49Å
292H85.5Confident79.9Confident7 Ų758.7 Ų58.73%0.03230%0.302CS..  trans-157.3160.6177.265.8-73.2000109.3S142 G143 K146 D286 N298 H299 A301S142-H292 CarbonylContact C-O 3.56Å; G143-H292 PolarHBondContact N-O 3.44Å; K146-H292 PolarHBondContact NZ-CD2 3.4Å; K146-H292 PolarHBondContact NZ-NE2 2.85Å; D286-H292 IonicContact OD2-CE1 3.68Å; D286-H292 PolarHBondContact OD2-CE1 2.74Å; D286-H292 VanDerWaalsContact OD2-CE1 3.24Å; D286-H292 IonicContact OD2-ND1 3.8Å; H292-N298 WeakPolarHBondContact CB-O 3.21Å; H292-H299 AromaticContact CD2-ND1 3.56Å; H292-H299 AromaticContact CE1-ND1 3.62Å; H292-H299 AromaticContact NE2-CE1 3.71Å; H292-H299 AromaticContact NE2-ND1 3.13Å; H292-H299 PolarHBondContact NE2-ND1 3.39Å; H292-H299 VanDerWaalsContact NE2-ND1 3.13Å; H292-A301 HydrophobicContact CB-CB 4.12Å
293H91.8Very high77.7Confident30 Ų3061.7 Ų61.714%0.13933%0.327CS..BIsolated β-bridgetrans-80148.4176.4-66.4150.6000112.3N141 W295 E296 F304N141-H293 CarbonylContact O-C 3.54Å; N141-H293 VanDerWaalsContact O-CA 3.23Å; N141-H293 WeakPolarHBondContact O-CA 3.47Å; H293-W295 HydrophobicContact CB-CD2 3.78Å; H293-W295 HydrophobicContact CB-CE3 3.8Å; H293-W295 HydrophobicContact CB-CH2 3.81Å; H293-W295 HydrophobicContact CB-CZ2 3.75Å; H293-W295 HydrophobicContact CB-CZ3 3.84Å; H293-W295 AromaticContact CD2-CH2 3.72Å; H293-W295 AromaticContact CE1-CH2 3.88Å; H293-W295 AromaticContact CE1-CZ2 3.68Å; H293-W295 AromaticContact CG-CE2 3.96Å; H293-W295 AromaticContact CG-CH2 3.5Å; H293-W295 AromaticContact CG-CZ2 3.48Å; H293-W295 VanDerWaalsContact CG-CZ2 3.48Å; H293-W295 AromaticContact CG-CZ3 3.99Å; H293-W295 AromaticContact ND1-CE2 3.82Å; H293-W295 AromaticContact ND1-CH2 3.65Å; H293-W295 AromaticContact ND1-CZ2 3.22Å; H293-W295 WeakPolarHBondContact ND1-CZ2 3.35Å; H293-W295 AromaticContact NE2-CH2 3.95Å; H293-W295 PolarHBondContact O-N 3.49Å; H293-E296 HydrophobicContact CB-CB 4.22Å; H293-E296 HydrophobicContact CB-CG 3.93Å; H293-E296 IonicContact CE1-OE1 2.63Å; H293-E296 IonicContact CG-OE1 2.63Å; H293-E296 IonicContact ND1-OE1 3.61Å; H293-E296 PolarHBondContact ND1-OE1 3.07Å; H293-E296 IonicContact ND1-OE2 3.8Å; H293-E296 PolarHBondContact O-N 2.81Å; H293-F304 AromaticContact CD2-CZ 3.94Å; H293-F304 AromaticContact CE1-CE1 3.79Å; H293-F304 AromaticContact CE1-CZ 3.26Å; H293-F304 WeakPolarHBondContact CE1-CZ 3.47Å; H293-F304 AromaticContact ND1-CZ 3.85Å; H293-F304 AromaticContact NE2-CE1 3.67Å; H293-F304 AromaticContact NE2-CZ 3.3Å; H293-F304 VanDerWaalsContact NE2-CZ 3.3Å; H293-F304 WeakPolarHBondContact NE2-CZ 3.47Å
294Y94.2Very high75.7Confident3 Ų365.4 Ų65.41%0.01234%0.343CS..THydrogen-bonded Turntrans-66.3-20.2179.466.9-101.5000114.1N141 L145 K146 A166 P167 F171 V175N141-Y294 WeakPolarHBondContact O-CD1 3.37Å; N141-Y294 PolarHBondContact O-N 3.45Å; L145-Y294 HydrophobicContact CB-CD1 4.43Å; L145-Y294 HydrophobicContact CB-CG 4.39Å; L145-Y294 HydrophobicContact CD1-CD1 3.63Å; L145-Y294 HydrophobicContact CD1-CE1 3.98Å; L145-Y294 HydrophobicContact CD1-CG 4.36Å; K146-Y294 VanDerWaalsContact CE-C 3.47Å; K146-Y294 WeakPolarHBondContact CE-O 3.28Å; A166-Y294 HydrophobicContact CB-CE1 4.3Å; A166-Y294 WeakPolarHBondContact CB-OH 3.13Å; P167-Y294 HydrophobicContact CG-CE2 4.37Å; P167-Y294 VanDerWaalsContact O-CE2 3.23Å; P167-Y294 WeakPolarHBondContact O-CE2 3.28Å; P167-Y294 PolarHBondContact O-OH 3Å; F171-Y294 HydrophobicContact CB-CD2 4.28Å; F171-Y294 HydrophobicContact CB-CE2 4.06Å; F171-Y294 AromaticContact CD1-CD2 3.89Å; F171-Y294 HydrophobicContact CD1-CD2 3.89Å; F171-Y294 HydrophobicContact CD1-CE2 4.36Å; F171-Y294 HydrophobicContact CD2-CD2 4.4Å; F171-Y294 HydrophobicContact CD2-CE2 4.12Å; F171-Y294 HydrophobicContact CE1-CD2 4.37Å; F171-Y294 WeakPolarHBondContact CE1-O 3.38Å; F171-Y294 AromaticContact CG-CD2 3.92Å; F171-Y294 HydrophobicContact CG-CD2 3.92Å; F171-Y294 AromaticContact CG-CE2 3.91Å; F171-Y294 HydrophobicContact CG-CE2 3.91Å; V175-Y294 HydrophobicContact CG1-CD1 4.44Å; V175-Y294 HydrophobicContact CG1-CD2 4.11Å; V175-Y294 HydrophobicContact CG1-CE1 4.26Å; V175-Y294 HydrophobicContact CG1-CE2 3.95Å; V175-Y294 HydrophobicContact CG1-CG 4.36Å; V175-Y294 HydrophobicContact CG2-CE2 4.33Å
295W92.4Very high74.1Confident59 Ų5972.1 Ų72.122%0.22337%0.366CS..THydrogen-bonded Turntrans-95.8-5.9177.765.489.3000113.9N141 A166 P167 F171 H293N141-W295 HydrophobicContact CB-CH2 3.7Å; N141-W295 HydrophobicContact CB-CZ3 3.58Å; A166-W295 HydrophobicContact CB-CE3 4.48Å; A166-W295 HydrophobicContact CB-CH2 4.04Å; A166-W295 HydrophobicContact CB-CZ3 3.72Å; P167-W295 VanDerWaalsContact CD-CE3 3.44Å; P167-W295 HydrophobicContact CG-CB 3.5Å; P167-W295 VanDerWaalsContact CG-CB 3.5Å; P167-W295 HydrophobicContact CG-CD2 4.04Å; P167-W295 HydrophobicContact CG-CE3 4.37Å; P167-W295 HydrophobicContact CG-CG 3.68Å; F171-W295 HydrophobicContact CD2-CB 4.39Å; F171-W295 HydrophobicContact CE1-CB 4.34Å; F171-W295 HydrophobicContact CE2-CB 3.64Å; F171-W295 VanDerWaalsContact CZ-CA 3.44Å; F171-W295 HydrophobicContact CZ-CB 3.62Å; H293-W295 HydrophobicContact CB-CD2 3.78Å; H293-W295 HydrophobicContact CB-CE3 3.8Å; H293-W295 HydrophobicContact CB-CH2 3.81Å; H293-W295 HydrophobicContact CB-CZ2 3.75Å; H293-W295 HydrophobicContact CB-CZ3 3.84Å; H293-W295 AromaticContact CD2-CH2 3.72Å; H293-W295 AromaticContact CE1-CH2 3.88Å; H293-W295 AromaticContact CE1-CZ2 3.68Å; H293-W295 AromaticContact CG-CE2 3.96Å; H293-W295 AromaticContact CG-CH2 3.5Å; H293-W295 AromaticContact CG-CZ2 3.48Å; H293-W295 VanDerWaalsContact CG-CZ2 3.48Å; H293-W295 AromaticContact CG-CZ3 3.99Å; H293-W295 AromaticContact ND1-CE2 3.82Å; H293-W295 AromaticContact ND1-CH2 3.65Å; H293-W295 AromaticContact ND1-CZ2 3.22Å; H293-W295 WeakPolarHBondContact ND1-CZ2 3.35Å; H293-W295 AromaticContact NE2-CH2 3.95Å; H293-W295 PolarHBondContact O-N 3.49Å
296E84.2Confident72.5Confident65 Ų6578.4 Ų78.430%0.30439%0.391SS..  trans-97.9141.8-178.7-68.3174-164.400111K146 H293K146-E296 PolarHBondContact NZ-O 3.47Å; H293-E296 HydrophobicContact CB-CB 4.22Å; H293-E296 HydrophobicContact CB-CG 3.93Å; H293-E296 IonicContact CE1-OE1 2.63Å; H293-E296 IonicContact CG-OE1 2.63Å; H293-E296 IonicContact ND1-OE1 3.61Å; H293-E296 PolarHBondContact ND1-OE1 3.07Å; H293-E296 IonicContact ND1-OE2 3.8Å; H293-E296 PolarHBondContact O-N 2.81Å
297T73.3Confident71.4Confident133 Ų13382.2 Ų82.282%0.81642%0.415SS*.SBendtrans-82.7-16.5175.949.80000112.7H299T297-H299 PolarHBondContact O-CD2 3.24Å; T297-H299 PolarHBondContact O-N 3.37Å
298N69.6Low70.7Confident88 Ų8877.1 Ų77.147%0.47141%0.414SS..  trans-81.9102179.7-172.56.3000111.1H292 L300H292-N298 WeakPolarHBondContact CB-O 3.21Å; N298-L300 PolarHBondContact O-N 3.2Å; N298-L300 WeakPolarHBondContact OD1-CB 3.36Å; N298-L300 PolarHBondContact OD1-N 3.27Å
299H62Low70.7Confident99 Ų9971.2 Ų71.246%0.45839%0.394SS..THydrogen-bonded Turntrans-74.7-9.6177.6-61.4-73.2000113.8H292 T297H292-H299 AromaticContact CD2-ND1 3.56Å; H292-H299 AromaticContact CE1-ND1 3.62Å; H292-H299 AromaticContact NE2-CE1 3.71Å; H292-H299 AromaticContact NE2-ND1 3.13Å; H292-H299 PolarHBondContact NE2-ND1 3.39Å; H292-H299 VanDerWaalsContact NE2-ND1 3.13Å; T297-H299 PolarHBondContact O-CD2 3.24Å; T297-H299 PolarHBondContact O-N 3.37Å
300L56.8Low70.9Confident151 Ų15172.2 Ų72.279%0.79139%0.386SS*.THydrogen-bonded Turntrans-94.420.3-177.2-65.1170.4000113.2N298 G302N298-L300 PolarHBondContact O-N 3.2Å; N298-L300 WeakPolarHBondContact OD1-CB 3.36Å; N298-L300 PolarHBondContact OD1-N 3.27Å; L300-G302 PolarHBondContact O-N 3.36Å
301A54.5Low71.3Confident10 Ų1072 Ų728%0.08339%0.385CS..  trans-74.254-176.800000113W291 H292 A303 F304W291-A301 CarbonylContact O-C 3.57Å; W291-A301 WeakPolarHBondContact O-CB 3.49Å; H292-A301 HydrophobicContact CB-CB 4.12Å; A301-A303 PolarHBondContact O-N 2.55Å; A301-F304 HydrophobicContact CB-CE2 4.1Å; A301-F304 VanDerWaalsContact O-CD2 3.22Å; A301-F304 WeakPolarHBondContact O-CD2 3.27Å
302G51.6Low71.5Confident26 Ų2670.4 Ų70.427%0.26839%0.388SS..THydrogen-bonded Turntrans-60.4-3.8167.500000114.1L300 F304 R305 H306L300-G302 PolarHBondContact O-N 3.36Å; G302-F304 PolarHBondContact O-N 3.22Å; G302-R305 PolarHBondContact O-N 2.88Å; G302-H306 VanDerWaalsContact C-CD2 3.42Å; G302-H306 PolarHBondContact O-CD2 2.91Å; G302-H306 PolarHBondContact O-NE2 3.5Å
303A49.9Very low71.6Confident65 Ų6573.3 Ų73.354%0.53740%0.404SS..Hα-helixtrans-48.3-31.9176.900000113.4A301 R305 H306A301-A303 PolarHBondContact O-N 2.55Å; A303-R305 PolarHBondContact O-N 2.93Å; A303-H306 PolarHBondContact O-N 3.5Å
304F52.8Low71.7Confident100 Ų10074.1 Ų74.144%0.43941%0.406SS..Hα-helixtrans-67.9-26.8-179.2-59.3-72.8000114.5H293 A301 G302H293-F304 AromaticContact CD2-CZ 3.94Å; H293-F304 AromaticContact CE1-CE1 3.79Å; H293-F304 AromaticContact CE1-CZ 3.26Å; H293-F304 WeakPolarHBondContact CE1-CZ 3.47Å; H293-F304 AromaticContact ND1-CZ 3.85Å; H293-F304 AromaticContact NE2-CE1 3.67Å; H293-F304 AromaticContact NE2-CZ 3.3Å; H293-F304 VanDerWaalsContact NE2-CZ 3.3Å; H293-F304 WeakPolarHBondContact NE2-CZ 3.47Å; A301-F304 HydrophobicContact CB-CE2 4.1Å; A301-F304 VanDerWaalsContact O-CD2 3.22Å; A301-F304 WeakPolarHBondContact O-CD2 3.27Å; G302-F304 PolarHBondContact O-N 3.22Å
305R56.2Low71.8Confident147 Ų14774.7 Ų74.756%0.55541%0.409SS*.Hα-helixtrans-91.3-11.1177.3-68.1-175.580.3-175.74.8113.5G302 A303 D313G302-R305 PolarHBondContact O-N 2.88Å; A303-R305 PolarHBondContact O-N 2.93Å; R305-D313 IonicContact CZ-OD1 3.24Å; R305-D313 IonicContact CZ-OD2 2.65Å; R305-D313 IonicContact NE-OD1 2.7Å; R305-D313 IonicContact NE-OD2 2.82Å; R305-D313 VanDerWaalsContact NH2-CG 3.31Å; R305-D313 IonicContact NH2-OD1 3.88Å; R305-D313 PolarHBondContact NH2-OD1 2.85Å; R305-D313 IonicContact NH2-OD2 3.78Å; R305-D313 PolarHBondContact NH2-OD2 3.42Å
306H51.6Low71.8Confident157 Ų15774.6 Ų74.673%0.72741%0.409SS*.Hα-helixtrans-88-16.8-168.5-71.6-54.9000115G302 A303G302-H306 VanDerWaalsContact C-CD2 3.42Å; G302-H306 PolarHBondContact O-CD2 2.91Å; G302-H306 PolarHBondContact O-NE2 3.5Å; A303-H306 PolarHBondContact O-N 3.5Å
307T61.2Low72.4Confident97 Ų9776.2 Ų76.260%0.59542%0.42SS*.SBendtrans-83.9-22-176.264.60000113.5V309T307-V309 PolarHBondContact O-N 2.65Å
308G68.7Low73.6Confident59 Ų5970.2 Ų70.261%0.60838%0.383SS*.  trans64.712.9-177.700000114.7
309V83.6Confident74.9Confident34 Ų3466.1 Ų66.121%0.20636%0.361CS..SBendtrans-72.5-40.5-179.81760000111.2R259 Y260 T307R259-V309 WeakPolarHBondContact CA-O 3.39Å; R259-V309 VanDerWaalsContact CB-O 3.3Å; R259-V309 WeakPolarHBondContact CB-O 3.28Å; R259-V309 PolarHBondContact N-O 2.87Å; Y260-V309 HydrophobicContact CD1-CG1 4.36Å; Y260-V309 HydrophobicContact CD2-CG1 4.2Å; Y260-V309 HydrophobicContact CE1-CG1 3.74Å; Y260-V309 HydrophobicContact CE2-CG1 3.55Å; Y260-V309 PolarHBondContact N-O 3.31Å; Y260-V309 WeakPolarHBondContact OH-CG1 3.43Å; T307-V309 PolarHBondContact O-N 2.65Å
310H86.5Confident76.6Confident69 Ų6964.7 Ų64.732%0.31936%0.356SS..SBendtrans-115.6147.7178.5-47.6-64.8000109.5Y260 P261 S262 G312Y260-H310 AromaticContact CD2-CE1 3.46Å; Y260-H310 VanDerWaalsContact CD2-CE1 3.46Å; Y260-H310 WeakPolarHBondContact CD2-CE1 3.32Å; Y260-H310 AromaticContact CD2-ND1 3.84Å; Y260-H310 AromaticContact CE2-CE1 3.38Å; Y260-H310 WeakPolarHBondContact CE2-CE1 3.45Å; Y260-H310 PolarHBondContact O-ND1 2.81Å; P261-H310 PolarHBondContact O-CE1 2.83Å; S262-H310 PolarHBondContact N-ND1 3.01Å; H310-G312 PolarHBondContact O-N 2.86Å
311D88.8Confident78.5Confident49 Ų4960.3 Ų60.326%0.26233%0.334SS..  trans-92.878.8168.9-168.2-20.1000109.2H257 D313 Y314 E315H257-D311 HydrophobicContact CB-CB 3.97Å; H257-D311 IonicContact CG-OD2 3.14Å; H257-D311 IonicContact ND1-OD2 3.36Å; H257-D311 PolarHBondContact ND1-OD2 3.48Å; D311-D313 PolarHBondContact O-N 3.46Å; D311-Y314 PolarHBondContact O-N 3.02Å; D311-Y314 WeakPolarHBondContact OD1-CB 3.38Å; D311-Y314 PolarHBondContact OD1-N 2.85Å; D311-Y314 VanDerWaalsContact OD1-N 3.11Å; D311-E315 WeakPolarHBondContact O-CG 3.34Å; D311-E315 PolarHBondContact O-N 2.87Å
312G86.7Confident80.5Confident30 Ų3059.8 Ų59.831%0.30933%0.33SS..Hα-helixtrans-63.7-25.9-174.400000114.1H310 Y316H310-G312 PolarHBondContact O-N 2.86Å; G312-Y316 VanDerWaalsContact O-CB 3.27Å; G312-Y316 WeakPolarHBondContact O-CB 3.44Å; G312-Y316 PolarHBondContact O-N 3.41Å
313D88.4Confident82.7Confident69 Ų6959.6 Ų59.637%0.36933%0.325SS..Hα-helixtrans-72.7-44175.5-64.4-34.1000110.3R305 D311 Y316 N317R305-D313 IonicContact CZ-OD1 3.24Å; R305-D313 IonicContact CZ-OD2 2.65Å; R305-D313 IonicContact NE-OD1 2.7Å; R305-D313 IonicContact NE-OD2 2.82Å; R305-D313 VanDerWaalsContact NH2-CG 3.31Å; R305-D313 IonicContact NH2-OD1 3.88Å; R305-D313 PolarHBondContact NH2-OD1 2.85Å; R305-D313 IonicContact NH2-OD2 3.78Å; R305-D313 PolarHBondContact NH2-OD2 3.42Å; D311-D313 PolarHBondContact O-N 3.46Å; D313-Y316 PolarHBondContact O-N 3.38Å; D313-N317 WeakPolarHBondContact O-CB 3.44Å; D313-N317 PolarHBondContact O-N 2.73Å; D313-N317 PolarHBondContact O-ND2 3.4Å
314Y93.6Very high84.9Confident47 Ų4762.2 Ų62.218%0.18433%0.33CS..Hα-helixtrans-63.2-47.8175.7-167.8-77.6000111.4L254 E255 H257 D311 Y316 N317 V318L254-Y314 HydrophobicContact CB-CE1 4.45Å; L254-Y314 HydrophobicContact CD2-CD1 3.85Å; L254-Y314 HydrophobicContact CD2-CE1 4.13Å; E255-Y314 WeakPolarHBondContact CG-OH 3.48Å; E255-Y314 PolarHBondContact OE1-OH 3.48Å; H257-Y314 HydrophobicContact CB-CD1 4.14Å; H257-Y314 HydrophobicContact CB-CD2 4.23Å; H257-Y314 HydrophobicContact CB-CG 3.94Å; H257-Y314 AromaticContact CD2-CD2 3.71Å; H257-Y314 AromaticContact CD2-CE2 3.49Å; H257-Y314 VanDerWaalsContact CD2-CE2 3.49Å; H257-Y314 WeakPolarHBondContact CD2-CE2 3.3Å; H257-Y314 AromaticContact CD2-CZ 3.9Å; H257-Y314 AromaticContact CE1-CD2 3.62Å; H257-Y314 AromaticContact CE1-CE2 3.86Å; H257-Y314 AromaticContact CG-CD2 3.57Å; H257-Y314 AromaticContact CG-CE2 3.86Å; H257-Y314 AromaticContact CG-CG 3.8Å; H257-Y314 AromaticContact ND1-CD2 3.51Å; H257-Y314 AromaticContact ND1-CG 3.96Å; H257-Y314 AromaticContact NE2-CD2 3.77Å; H257-Y314 AromaticContact NE2-CE2 3.52Å; D311-Y314 PolarHBondContact O-N 3.02Å; D311-Y314 WeakPolarHBondContact OD1-CB 3.38Å; D311-Y314 PolarHBondContact OD1-N 2.85Å; D311-Y314 VanDerWaalsContact OD1-N 3.11Å; Y314-Y316 VanDerWaalsContact C-N 3.29Å; Y314-Y316 PolarHBondContact O-N 3.31Å; Y314-N317 PolarHBondContact O-N 3.25Å; Y314-N317 VanDerWaalsContact O-N 3.13Å; Y314-V318 HydrophobicContact CD1-CG2 3.81Å; Y314-V318 HydrophobicContact CE1-CG2 3.47Å; Y314-V318 VanDerWaalsContact CE1-CG2 3.47Å; Y314-V318 WeakPolarHBondContact O-CG2 3.43Å; Y314-V318 PolarHBondContact O-N 2.87Å
315E95.3Very high86.9Confident15 Ų1560.1 Ų60.17%0.0732%0.321CS..Hα-helixtrans-55.7-43.7175.6-73-179.6-171.300112.1L254 P261 S262 F265 D311 V318 T319L254-E315 HydrophobicContact CD1-CG 3.94Å; L254-E315 HydrophobicContact CD2-CG 3.78Å; P261-E315 WeakPolarHBondContact CA-OE1 3.24Å; S262-E315 WeakPolarHBondContact CB-OE2 3.34Å; S262-E315 PolarHBondContact N-OE1 3.29Å; S262-E315 PolarHBondContact OG-OE2 3.31Å; F265-E315 HydrophobicContact CB-CB 4.46Å; F265-E315 HydrophobicContact CB-CG 4.07Å; F265-E315 HydrophobicContact CD2-CB 3.81Å; F265-E315 HydrophobicContact CD2-CG 4.02Å; F265-E315 HydrophobicContact CE2-CB 4.36Å; F265-E315 HydrophobicContact CG-CB 4.24Å; F265-E315 HydrophobicContact CG-CG 3.95Å; D311-E315 WeakPolarHBondContact O-CG 3.34Å; D311-E315 PolarHBondContact O-N 2.87Å; E315-V318 PolarHBondContact O-N 3.38Å; E315-T319 PolarHBondContact O-N 2.85Å; E315-T319 PolarHBondContact O-OG1 3.15Å
316Y93.3Very high88.7Confident57 Ų5758.9 Ų58.922%0.22432%0.321CS..Hα-helixtrans-67-39.6178-171.7-113.4000112G284 G312 D313 Y314 T319 L320 M330G284-Y316 VanDerWaalsContact CA-CE2 3.43Å; G312-Y316 VanDerWaalsContact O-CB 3.27Å; G312-Y316 WeakPolarHBondContact O-CB 3.44Å; G312-Y316 PolarHBondContact O-N 3.41Å; D313-Y316 PolarHBondContact O-N 3.38Å; Y314-Y316 VanDerWaalsContact C-N 3.29Å; Y314-Y316 PolarHBondContact O-N 3.31Å; Y316-T319 WeakPolarHBondContact O-CB 3.43Å; Y316-T319 PolarHBondContact O-N 3.4Å; Y316-L320 HydrophobicContact CD1-CD1 3.92Å; Y316-L320 HydrophobicContact CD1-CG 4.28Å; Y316-L320 HydrophobicContact CE1-CD1 3.61Å; Y316-L320 HydrophobicContact CE1-CD2 4.27Å; Y316-L320 HydrophobicContact CE1-CG 4Å; Y316-L320 WeakPolarHBondContact O-CG 3.36Å; Y316-L320 PolarHBondContact O-N 2.88Å; Y316-M330 HydrophobicContact CD2-CE 4.3Å; Y316-M330 HydrophobicContact CE2-CE 3.51Å
317N95.8Very high90.8Very high98 Ų9852.1 Ų52.152%0.52429%0.29SS..Hα-helixtrans-63-42.2175.5-72.9-23.2000112.3D313 Y314 T319 L320 L321D313-N317 WeakPolarHBondContact O-CB 3.44Å; D313-N317 PolarHBondContact O-N 2.73Å; D313-N317 PolarHBondContact O-ND2 3.4Å; Y314-N317 PolarHBondContact O-N 3.25Å; Y314-N317 VanDerWaalsContact O-N 3.13Å; N317-T319 VanDerWaalsContact C-N 3.29Å; N317-T319 PolarHBondContact O-N 2.97Å; N317-L320 PolarHBondContact O-N 3.43Å; N317-L321 WeakPolarHBondContact O-CB 3.27Å; N317-L321 PolarHBondContact O-N 3.36Å
318V97.9Very high92.5Very high8 Ų847.9 Ų47.95%0.04826%0.263CS..Hα-helixtrans-62.4-40.1174.11770000110.8W67 W253 F265 Y314 E315 L321 L322W67-V318 HydrophobicContact CH2-CG1 4.09Å; W67-V318 HydrophobicContact CZ2-CG1 4.37Å; W253-V318 HydrophobicContact CE3-CG1 4.27Å; F265-V318 HydrophobicContact CE2-CB 3.99Å; F265-V318 HydrophobicContact CE2-CG1 3.95Å; F265-V318 HydrophobicContact CZ-CB 4.04Å; F265-V318 HydrophobicContact CZ-CG1 3.66Å; Y314-V318 HydrophobicContact CD1-CG2 3.81Å; Y314-V318 HydrophobicContact CE1-CG2 3.47Å; Y314-V318 VanDerWaalsContact CE1-CG2 3.47Å; Y314-V318 WeakPolarHBondContact O-CG2 3.43Å; Y314-V318 PolarHBondContact O-N 2.87Å; E315-V318 PolarHBondContact O-N 3.38Å; V318-L321 PolarHBondContact O-N 2.92Å; V318-L322 HydrophobicContact CG1-CD1 4.35Å; V318-L322 WeakPolarHBondContact O-CG 3.42Å; V318-L322 PolarHBondContact O-N 2.96Å
319T97.8Very high93.9Very high1 Ų149.6 Ų49.61%0.00625%0.251CS..Hα-helixtrans-62.2-43.1175.5-53.50000111.5L268 F283 E315 Y316 N317 L322 A323 I328 M330L268-T319 HydrophobicContact CD2-CG2 3.93Å; F283-T319 HydrophobicContact CD1-CG2 4.43Å; E315-T319 PolarHBondContact O-N 2.85Å; E315-T319 PolarHBondContact O-OG1 3.15Å; Y316-T319 WeakPolarHBondContact O-CB 3.43Å; Y316-T319 PolarHBondContact O-N 3.4Å; N317-T319 VanDerWaalsContact C-N 3.29Å; N317-T319 PolarHBondContact O-N 2.97Å; T319-L322 WeakPolarHBondContact O-CB 3.25Å; T319-L322 PolarHBondContact O-N 3.25Å; T319-A323 PolarHBondContact O-N 2.95Å; T319-A323 VanDerWaalsContact O-N 3.15Å; T319-I328 HydrophobicContact CG2-CD1 3.87Å; T319-I328 WeakPolarHBondContact O-CD1 3.31Å; T319-M330 HydrophobicContact CG2-CE 3.96Å; T319-M330 HydrophobicContact CG2-SD 3.59Å; T319-M330 VanDerWaalsContact CG2-SD 3.59Å
320L96.8Very high94.5Very high69 Ų6949.7 Ų49.736%0.36125%0.25SS..Hα-helixtrans-64.4-39.8174.6-69.9177.1000112.2Y316 N317 A323 D324Y316-L320 HydrophobicContact CD1-CD1 3.92Å; Y316-L320 HydrophobicContact CD1-CG 4.28Å; Y316-L320 HydrophobicContact CE1-CD1 3.61Å; Y316-L320 HydrophobicContact CE1-CD2 4.27Å; Y316-L320 HydrophobicContact CE1-CG 4Å; Y316-L320 WeakPolarHBondContact O-CG 3.36Å; Y316-L320 PolarHBondContact O-N 2.88Å; N317-L320 PolarHBondContact O-N 3.43Å; L320-A323 WeakPolarHBondContact O-CB 3.41Å; L320-A323 PolarHBondContact O-N 3.4Å; L320-A323 VanDerWaalsContact O-N 3.14Å; L320-D324 PolarHBondContact O-N 2.95Å
321L97.3Very high95Very high59 Ų5948.9 Ų48.931%0.30925%0.245SC..Hα-helixtrans-64.8-40.2177.6-176.756.3000111.8W67 N317 V318 A323 D324 K325W67-L321 HydrophobicContact CD2-CD2 3.9Å; W67-L321 HydrophobicContact CD2-CG 4.48Å; W67-L321 VanDerWaalsContact CE2-CD2 3.49Å; W67-L321 HydrophobicContact CE3-CD2 4.22Å; W67-L321 HydrophobicContact CE3-CG 4.33Å; W67-L321 HydrophobicContact CH2-CB 4.49Å; W67-L321 HydrophobicContact CH2-CD2 3.8Å; W67-L321 HydrophobicContact CH2-CG 4.05Å; W67-L321 HydrophobicContact CZ2-CD2 3.46Å; W67-L321 VanDerWaalsContact CZ2-CD2 3.46Å; W67-L321 HydrophobicContact CZ2-CG 4.23Å; W67-L321 HydrophobicContact CZ3-CD2 4.16Å; W67-L321 HydrophobicContact CZ3-CG 4.1Å; N317-L321 WeakPolarHBondContact O-CB 3.27Å; N317-L321 PolarHBondContact O-N 3.36Å; V318-L321 PolarHBondContact O-N 2.92Å; L321-A323 VanDerWaalsContact C-N 3.27Å; L321-A323 PolarHBondContact O-N 3.42Å; L321-D324 PolarHBondContact O-N 2.93Å; L321-K325 HydrophobicContact CD1-CD 3.99Å; L321-K325 HydrophobicContact CD1-CG 4.38Å; L321-K325 HydrophobicContact CG-CD 4Å; L321-K325 WeakPolarHBondContact O-CB 3.37Å; L321-K325 VanDerWaalsContact O-CG 3.3Å; L321-K325 WeakPolarHBondContact O-CG 3.15Å; L321-K325 PolarHBondContact O-N 3.45Å
322L97.6Very high95.3Very high0 Ų050.6 Ų50.60%026%0.258CS..Hα-helixtrans-58.9-39.2171.2-78.7165.1000111.9W67 F68 W253 L268 L272 V318 T319 K325 H326 K327 I328W67-L322 HydrophobicContact CH2-CG 4.4Å; W67-L322 HydrophobicContact CZ3-CD2 4.19Å; W67-L322 HydrophobicContact CZ3-CG 4.41Å; F68-L322 HydrophobicContact CD2-CD2 3.74Å; F68-L322 HydrophobicContact CE2-CD2 3.67Å; W253-L322 HydrophobicContact CH2-CD2 4.36Å; W253-L322 HydrophobicContact CZ3-CD1 4.35Å; W253-L322 HydrophobicContact CZ3-CD2 3.9Å; W253-L322 HydrophobicContact CZ3-CG 4.43Å; L268-L322 HydrophobicContact CD2-CD1 4.24Å; L272-L322 HydrophobicContact CD1-CD1 3.9Å; L272-L322 HydrophobicContact CD1-CD2 4.26Å; V318-L322 HydrophobicContact CG1-CD1 4.35Å; V318-L322 WeakPolarHBondContact O-CG 3.42Å; V318-L322 PolarHBondContact O-N 2.96Å; T319-L322 WeakPolarHBondContact O-CB 3.25Å; T319-L322 PolarHBondContact O-N 3.25Å; L322-K325 CarbonylContact O-C 3.1Å; L322-H326 PolarHBondContact O-N 3.4Å; L322-K327 HydrophobicContact CB-CB 4.47Å; L322-K327 HydrophobicContact CD2-CB 3.75Å; L322-K327 HydrophobicContact CD2-CG 4.12Å; L322-K327 PolarHBondContact O-N 2.93Å; L322-I328 HydrophobicContact CB-CD1 3.97Å; L322-I328 HydrophobicContact CB-CG1 3.95Å; L322-I328 HydrophobicContact CB-CG2 4.47Å; L322-I328 PolarHBondContact O-N 3.19Å
323A96.6Very high95.5Very high21 Ų2150 Ų5017%0.17425%0.252CS..Hα-helixtrans-71-42178.200000112.5T319 L320 L321 K325 H326 I328 M330T319-A323 PolarHBondContact O-N 2.95Å; T319-A323 VanDerWaalsContact O-N 3.15Å; L320-A323 WeakPolarHBondContact O-CB 3.41Å; L320-A323 PolarHBondContact O-N 3.4Å; L320-A323 VanDerWaalsContact O-N 3.14Å; L321-A323 VanDerWaalsContact C-N 3.27Å; L321-A323 PolarHBondContact O-N 3.42Å; A323-K325 VanDerWaalsContact C-N 3.26Å; A323-K325 PolarHBondContact O-N 2.95Å; A323-H326 WeakPolarHBondContact O-CA 3.49Å; A323-H326 PolarHBondContact O-N 2.66Å; A323-I328 HydrophobicContact CB-CD1 4.3Å; A323-I328 HydrophobicContact CB-CG1 3.9Å; A323-M330 HydrophobicContact CB-CB 3.75Å
324D96.3Very high95.4Very high120 Ų12052.9 Ų52.964%0.64226%0.258SS*.Hα-helixtrans-59.5-39174.2-177.970000111.5L320 L321 H326L320-D324 PolarHBondContact O-N 2.95Å; L321-D324 PolarHBondContact O-N 2.93Å; D324-H326 PolarHBondContact O-N 3.4Å
325K94.6Very high95.5Very high56 Ų5653.2 Ų53.224%0.24326%0.262CS..THydrogen-bonded Turntrans-79.24.5174.2-70.5170.3171-64.60114.3D65 W67 L321 L322 A323 K327D65-K325 IonicContact OD1-NZ 2.71Å; D65-K325 PolarHBondContact OD1-NZ 3.28Å; D65-K325 WeakPolarHBondContact OD2-CB 3.45Å; D65-K325 VanDerWaalsContact OD2-CD 3.29Å; D65-K325 WeakPolarHBondContact OD2-CD 3.48Å; D65-K325 WeakPolarHBondContact OD2-CG 3.27Å; D65-K325 IonicContact OD2-NZ 2.73Å; W67-K325 HydrophobicContact CD2-CD 4.26Å; W67-K325 HydrophobicContact CE3-CD 3.38Å; W67-K325 VanDerWaalsContact CE3-CE 3.42Å; W67-K325 HydrophobicContact CZ3-CD 3.8Å; L321-K325 HydrophobicContact CD1-CD 3.99Å; L321-K325 HydrophobicContact CD1-CG 4.38Å; L321-K325 HydrophobicContact CG-CD 4Å; L321-K325 WeakPolarHBondContact O-CB 3.37Å; L321-K325 VanDerWaalsContact O-CG 3.3Å; L321-K325 WeakPolarHBondContact O-CG 3.15Å; L321-K325 PolarHBondContact O-N 3.45Å; L322-K325 CarbonylContact O-C 3.1Å; A323-K325 VanDerWaalsContact C-N 3.26Å; A323-K325 PolarHBondContact O-N 2.95Å; K325-K327 HydrophobicContact CB-CG 4.16Å; K325-K327 PolarHBondContact O-N 3.04Å; K325-K327 VanDerWaalsContact O-N 3.12Å
326H94.3Very high95.5Very high121 Ų12155.2 Ų55.256%0.5627%0.272SS*.THydrogen-bonded Turntrans58.520.5-179.9-53.5-55.2000114.6Q57 L322 A323 D324 I328Q57-H326 PolarHBondContact NE2-O 3.36Å; Q57-H326 PolarHBondContact OE1-O 2.67Å; L322-H326 PolarHBondContact O-N 3.4Å; A323-H326 WeakPolarHBondContact O-CA 3.49Å; A323-H326 PolarHBondContact O-N 2.66Å; D324-H326 PolarHBondContact O-N 3.4Å; H326-I328 VanDerWaalsContact C-N 3.28Å
327K95.9Very high95.6Very high16 Ų1655.1 Ų55.17%0.0727%0.274CS..SBendtrans-74.1-24.6174.3-58.9-61.4179.6-172.10112V59 E61 D65 F68 L322 K325V59-K327 WeakPolarHBondContact CG2-O 3.37Å; E61-K327 PolarHBondContact O-NZ 2.9Å; D65-K327 VanDerWaalsContact OD2-CE 3.28Å; D65-K327 WeakPolarHBondContact OD2-CE 3.34Å; F68-K327 HydrophobicContact CD1-CD 4.04Å; F68-K327 HydrophobicContact CD2-CB 4.39Å; F68-K327 HydrophobicContact CD2-CD 4.01Å; F68-K327 HydrophobicContact CD2-CG 3.64Å; F68-K327 HydrophobicContact CE1-CD 4.06Å; F68-K327 HydrophobicContact CE2-CB 4.09Å; F68-K327 HydrophobicContact CE2-CD 4.01Å; F68-K327 HydrophobicContact CE2-CG 3.77Å; F68-K327 HydrophobicContact CG-CD 4Å; F68-K327 HydrophobicContact CG-CG 4.06Å; F68-K327 HydrophobicContact CZ-CD 4.05Å; F68-K327 HydrophobicContact CZ-CG 4.31Å; L322-K327 HydrophobicContact CB-CB 4.47Å; L322-K327 HydrophobicContact CD2-CB 3.75Å; L322-K327 HydrophobicContact CD2-CG 4.12Å; L322-K327 PolarHBondContact O-N 2.93Å; K325-K327 HydrophobicContact CB-CG 4.16Å; K325-K327 PolarHBondContact O-N 3.04Å; K325-K327 VanDerWaalsContact O-N 3.12Å
328I97.4Very high95.6Very high7 Ų752.6 Ų52.64%0.03626%0.26CS..SBendtrans-135.6160.5173.866.2173.5000110.7L268 L272 V278 V280 T319 L322 A323 H326 M330L268-I328 HydrophobicContact CD1-CG2 4.21Å; L272-I328 HydrophobicContact CD2-CG2 3.67Å; V278-I328 HydrophobicContact CB-CG2 4.04Å; V278-I328 HydrophobicContact CG1-CG2 4.01Å; V278-I328 CarbonylContact O-C 3.55Å; V278-I328 VanDerWaalsContact O-CA 3.31Å; V278-I328 WeakPolarHBondContact O-CA 3.3Å; V280-I328 HydrophobicContact CB-CD1 4.4Å; V280-I328 HydrophobicContact CG2-CB 4.24Å; V280-I328 HydrophobicContact CG2-CD1 3.77Å; V280-I328 HydrophobicContact CG2-CG2 4.48Å; T319-I328 HydrophobicContact CG2-CD1 3.87Å; T319-I328 WeakPolarHBondContact O-CD1 3.31Å; L322-I328 HydrophobicContact CB-CD1 3.97Å; L322-I328 HydrophobicContact CB-CG1 3.95Å; L322-I328 HydrophobicContact CB-CG2 4.47Å; L322-I328 PolarHBondContact O-N 3.19Å; A323-I328 HydrophobicContact CB-CD1 4.3Å; A323-I328 HydrophobicContact CB-CG1 3.9Å; H326-I328 VanDerWaalsContact C-N 3.28Å; I328-M330 HydrophobicContact CD1-SD 4.46Å
329R97.8Very high95.5Very high96 Ų9655.4 Ų55.436%0.36227%0.273SS..EExtended strand (participates in β ladder)trans-100.8113.5164.3-64.1-176.2-172.3141.513.2109.7E277 V278 S279 V280 F331E277-R329 VanDerWaalsContact CD-CZ 3.42Å; E277-R329 VanDerWaalsContact CD-NH1 3.29Å; E277-R329 IonicContact OE1-CZ 3.82Å; E277-R329 VanDerWaalsContact OE1-CZ 3.27Å; E277-R329 IonicContact OE1-NH1 3.31Å; E277-R329 PolarHBondContact OE1-NH1 2.91Å; E277-R329 IonicContact OE1-NH2 3.07Å; E277-R329 PolarHBondContact OE1-NH2 2.94Å; E277-R329 IonicContact OE2-CZ 3.24Å; E277-R329 IonicContact OE2-NH1 3.26Å; E277-R329 PolarHBondContact OE2-NH1 3Å; E277-R329 IonicContact OE2-NH2 3.47Å; E277-R329 PolarHBondContact OE2-NH2 3.39Å; V278-R329 PolarHBondContact O-N 3.47Å; S279-R329 CarbonylContact C-O 3.59Å; S279-R329 WeakPolarHBondContact CA-O 3.49Å; V280-R329 PolarHBondContact N-O 2.73Å; R329-F331 HydrophobicContact CB-CE2 3.92Å
330M96.4Very high95.3Very high36 Ų3659 Ų5918%0.17729%0.291CS..EExtended strand (participates in β ladder)trans-92.2126.3-179.7-170.880.8175.300111V280 F283 Y316 T319 A323 I328 T332V280-M330 HydrophobicContact CB-SD 4.08Å; V280-M330 HydrophobicContact CG1-SD 3.94Å; F283-M330 HydrophobicContact CB-CE 3.69Å; Y316-M330 HydrophobicContact CD2-CE 4.3Å; Y316-M330 HydrophobicContact CE2-CE 3.51Å; T319-M330 HydrophobicContact CG2-CE 3.96Å; T319-M330 HydrophobicContact CG2-SD 3.59Å; T319-M330 VanDerWaalsContact CG2-SD 3.59Å; A323-M330 HydrophobicContact CB-CB 3.75Å; I328-M330 HydrophobicContact CD1-SD 4.46Å; M330-T332 HydrophobicContact CG-CG2 4.24Å
331F97.3Very high95.2Very high51 Ų5158.3 Ų58.322%0.22429%0.286CS..EExtended strand (participates in β ladder)trans-109.6104.5173.9-66.5-94.2000109.5Y150 L153 V280 F281 R329 G333Y150-F331 HydrophobicContact CD2-CB 4.45Å; Y150-F331 HydrophobicContact CE1-CD1 4.1Å; Y150-F331 HydrophobicContact CE2-CB 3.87Å; L153-F331 HydrophobicContact CD2-CD1 4.11Å; L153-F331 HydrophobicContact CD2-CE1 3.42Å; L153-F331 VanDerWaalsContact CD2-CE1 3.42Å; L153-F331 HydrophobicContact CD2-CE2 4.29Å; L153-F331 HydrophobicContact CD2-CZ 3.53Å; V280-F331 PolarHBondContact O-N 3.41Å; F281-F331 HydrophobicContact CD1-CB 3.45Å; F281-F331 VanDerWaalsContact CD1-CB 3.45Å; F281-F331 HydrophobicContact CD1-CD1 4.42Å; F281-F331 AromaticContact CD1-CD2 3.8Å; F281-F331 HydrophobicContact CD1-CD2 3.8Å; F281-F331 AromaticContact CD1-CG 3.64Å; F281-F331 HydrophobicContact CD1-CG 3.64Å; F281-F331 HydrophobicContact CE1-CB 3.67Å; F281-F331 AromaticContact CE1-CD1 3.78Å; F281-F331 HydrophobicContact CE1-CD1 3.78Å; F281-F331 AromaticContact CE1-CD2 3.27Å; F281-F331 HydrophobicContact CE1-CD2 3.27Å; F281-F331 HydrophobicContact CE1-CE1 4.25Å; F281-F331 AromaticContact CE1-CE2 3.8Å; F281-F331 HydrophobicContact CE1-CE2 3.8Å; F281-F331 AromaticContact CE1-CG 3.26Å; F281-F331 HydrophobicContact CE1-CG 3.26Å; F281-F331 HydrophobicContact CE1-CZ 4.26Å; F281-F331 HydrophobicContact CE2-CD2 4.09Å; F281-F331 HydrophobicContact CE2-CE2 4.36Å; F281-F331 HydrophobicContact CG-CB 4.26Å; F281-F331 HydrophobicContact CG-CD2 4.4Å; F281-F331 AromaticContact CZ-CD2 3.43Å; F281-F331 HydrophobicContact CZ-CD2 3.43Å; F281-F331 VanDerWaalsContact CZ-CD2 3.43Å; F281-F331 AromaticContact CZ-CE2 3.58Å; F281-F331 HydrophobicContact CZ-CE2 3.58Å; F281-F331 AromaticContact CZ-CG 3.95Å; F281-F331 HydrophobicContact CZ-CG 3.95Å; F281-F331 HydrophobicContact CZ-CZ 4.21Å; R329-F331 HydrophobicContact CB-CE2 3.92Å; F331-G333 VanDerWaalsContact C-N 3.28Å; F331-G333 PolarHBondContact O-N 3.1Å
332T93.4Very high95.1Very high85 Ų8558.2 Ų58.252%0.52128%0.284SS..  trans-79.1-6-170.752.40000114.6N144 M330N144-T332 PolarHBondContact ND2-O 3.24Å; M330-T332 HydrophobicContact CG-CG2 4.24Å
333G92.7Very high94.9Very high19 Ų1963.1 Ų63.120%0.19631%0.308CS..  trans64.8-141.217500000113.3N144 Y150 F331N144-G333 CarbonylContact O-C 3.6Å; N144-G333 VanDerWaalsContact O-CA 3.28Å; N144-G333 WeakPolarHBondContact O-CA 3.32Å; Y150-G333 WeakPolarHBondContact OH-CA 3.33Å; Y150-G333 PolarHBondContact OH-N 3.03Å; F331-G333 VanDerWaalsContact C-N 3.28Å; F331-G333 PolarHBondContact O-N 3.1Å
334R85.8Confident94.7Very high129 Ų12966.9 Ų66.949%0.48732%0.32SS..  trans-125.90-172.9-72.4-166.3179.3-163.56115.1N144 R147 D286 R287N144-R334 WeakPolarHBondContact CA-O 3.37Å; N144-R334 WeakPolarHBondContact CB-O 3.43Å; N144-R334 PolarHBondContact O-N 2.82Å; R147-R334 PolarHBondContact O-NE 3.21Å; R147-R334 PolarHBondContact O-NH2 2.54Å; D286-R334 WeakPolarHBondContact CA-O 3.33Å; D286-R334 WeakPolarHBondContact CB-O 3.27Å; R287-R334 WeakPolarHBondContact CB-OXT 3.49Å; R287-R334 WeakPolarHBondContact CD-OXT 3.15Å; R287-R334 WeakPolarHBondContact CG-OXT 2.93Å; R287-R334 PolarHBondContact N-O 2.99Å; R287-R334 PolarHBondContact N-OXT 3.42Å; R287-R334 PolarHBondContact NE-OXT 3.25Å

Retrieved 334 of 334 residues in 389.7 ms (Link to these results)

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