A0A3Q0KS85_SCHMA Loading...

Putative fatty-acid amide hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KS85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 608 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
1M60Low70.6Confident194 Ų194141.6 Ų141.696%0.95666%0.658SS**  0-41.90-132.217379.500112.8S4 L5M1-S4 PolarHBondContact O-OG 3.41Å; M1-L5 PolarHBondContact O-N 3.18Å
2E71.9Confident71Confident156 Ų156137.1 Ų137.173%0.72964%0.641SS**Hα-helixtrans-65.9-40.4177.4-80.5-172.3141.300114.6S4 L5 R6E2-S4 VanDerWaalsContact C-N 3.33Å; E2-S4 PolarHBondContact O-N 3.39Å; E2-L5 PolarHBondContact O-N 2.86Å; E2-R6 PolarHBondContact O-N 3.44Å
3Q70Confident71.7Confident174 Ų174132.8 Ų132.881%0.81363%0.632SS**Hα-helixtrans-63.4-38.4178.5-78.5-176.2-13.500112.5R6 F7Q3-R6 PolarHBondContact O-N 3.34Å; Q3-F7 PolarHBondContact O-N 2.96Å; Q3-F7 VanDerWaalsContact O-N 3.11Å
4S67.3Low72.3Confident69 Ų69129.5 Ų129.548%0.48363%0.625SS.*Hα-helixtrans-67.3-37.9176.549.40000112M1 E2 F7 C8M1-S4 PolarHBondContact O-OG 3.41Å; E2-S4 VanDerWaalsContact C-N 3.33Å; E2-S4 PolarHBondContact O-N 3.39Å; S4-F7 PolarHBondContact O-N 3.42Å; S4-C8 PolarHBondContact O-N 3.32Å; S4-C8 PolarHBondContact O-SG 3.41Å; S4-C8 VanDerWaalsContact O-SG 3.4Å
5L67.5Low72.6Confident97 Ų97127.6 Ų127.651%0.50862%0.619SS.*Hα-helixtrans-65.9-44.6175-83.1159.4000112.2M1 E2 F7 C8 W9M1-L5 PolarHBondContact O-N 3.18Å; E2-L5 PolarHBondContact O-N 2.86Å; L5-F7 VanDerWaalsContact C-N 3.29Å; L5-F7 PolarHBondContact O-N 2.89Å; L5-C8 PolarHBondContact O-N 3.25Å; L5-W9 PolarHBondContact O-N 3.43Å
6R71.4Confident73Confident186 Ų186125.4 Ų125.470%0.70261%0.611SS**Hα-helixtrans-61-37.6176.1-77.5-172.3180-169.71.9112.5E2 Q3 W9 Y10E2-R6 PolarHBondContact O-N 3.44Å; Q3-R6 PolarHBondContact O-N 3.34Å; R6-W9 PolarHBondContact O-N 3.46Å; R6-Y10 PolarHBondContact O-N 3.22Å
7F74Confident73.3Confident137 Ų137121.4 Ų121.460%0.60160%0.602SS**Hα-helixtrans-64.6-41.5177-169-105.7000112.1Q3 S4 L5 W9 Y10 L11Q3-F7 PolarHBondContact O-N 2.96Å; Q3-F7 VanDerWaalsContact O-N 3.11Å; S4-F7 PolarHBondContact O-N 3.42Å; L5-F7 VanDerWaalsContact C-N 3.29Å; L5-F7 PolarHBondContact O-N 2.89Å; F7-W9 VanDerWaalsContact C-N 3.33Å; F7-W9 PolarHBondContact O-N 2.96Å; F7-Y10 PolarHBondContact O-N 3.1Å; F7-L11 HydrophobicContact CD1-CD1 3.65Å; F7-L11 HydrophobicContact CE1-CD1 3.25Å; F7-L11 HydrophobicContact CE1-CG 4.31Å; F7-L11 HydrophobicContact CG-CD1 4.47Å; F7-L11 HydrophobicContact CZ-CD1 3.78Å; F7-L11 HydrophobicContact CZ-CG 4.48Å; F7-L11 PolarHBondContact O-N 2.71Å
8C67.5Low73.5Confident80 Ų80118 Ų11854%0.54159%0.592SS.*Hα-helixtrans-60.4-39.6173.9-69.50000112.7S4 L5 L11 L12S4-C8 PolarHBondContact O-N 3.32Å; S4-C8 PolarHBondContact O-SG 3.41Å; S4-C8 VanDerWaalsContact O-SG 3.4Å; L5-C8 PolarHBondContact O-N 3.25Å; C8-L11 PolarHBondContact O-N 2.79Å; C8-L12 PolarHBondContact O-N 3.44Å; C8-L12 VanDerWaalsContact O-N 3.08Å
9W74.1Confident73.8Confident188 Ų188116.6 Ų116.671%0.71259%0.586SS**Hα-helixtrans-68-31.4177.9-84.893000113.9L5 R6 F7 P13L5-W9 PolarHBondContact O-N 3.43Å; R6-W9 PolarHBondContact O-N 3.46Å; F7-W9 VanDerWaalsContact C-N 3.33Å; F7-W9 PolarHBondContact O-N 2.96Å; W9-P13 WeakPolarHBondContact O-CD 3.33Å
10Y76.8Confident74Confident195 Ų195114.8 Ų114.877%0.76558%0.581SS**Hα-helixtrans-74.8-32.7175.1-98.3-84.7000113.2R6 F7R6-Y10 PolarHBondContact O-N 3.22Å; F7-Y10 PolarHBondContact O-N 3.1Å
11L76.1Confident74.1Confident82 Ų82115.2 Ų115.243%0.42958%0.579SS.*Hα-helixtrans-77.6-27.9177.4-77.3168000112.7F7 C8 T14 L15F7-L11 HydrophobicContact CD1-CD1 3.65Å; F7-L11 HydrophobicContact CE1-CD1 3.25Å; F7-L11 HydrophobicContact CE1-CG 4.31Å; F7-L11 HydrophobicContact CG-CD1 4.47Å; F7-L11 HydrophobicContact CZ-CD1 3.78Å; F7-L11 HydrophobicContact CZ-CG 4.48Å; F7-L11 PolarHBondContact O-N 2.71Å; C8-L11 PolarHBondContact O-N 2.79Å; L11-T14 PolarHBondContact O-N 3.46Å; L11-T14 PolarHBondContact O-OG1 3.24Å; L11-L15 WeakPolarHBondContact O-CB 3.38Å; L11-L15 PolarHBondContact O-N 3.11Å
12L75.9Confident75Confident87 Ų87113.3 Ų113.346%0.45556%0.562SS.*Hα-helixtrans-60.7-45.7-174.4-166.772.4000113.8C8 L15 L16C8-L12 PolarHBondContact O-N 3.44Å; C8-L12 VanDerWaalsContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 3.47Å; L12-L16 HydrophobicContact CG-CD1 4.06Å; L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 VanDerWaalsContact O-CG 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 3Å
13P79.8Confident75.3Confident81 Ų81107.5 Ų107.553%0.52654%0.541SS..Hα-helixtrans-67.2-38.4178.1-20.132000113.3W9 L16 A17W9-P13 WeakPolarHBondContact O-CD 3.33Å; P13-L16 PolarHBondContact O-N 3.11Å; P13-A17 VanDerWaalsContact O-CB 3.23Å; P13-A17 WeakPolarHBondContact O-CB 3.25Å; P13-A17 PolarHBondContact O-N 3.22Å
14T79.3Confident75.6Confident87 Ų87102.9 Ų102.953%0.53453%0.525SS..Hα-helixtrans-70.5-38.6178.150.50000111.1L11 A17 S18L11-T14 PolarHBondContact O-N 3.46Å; L11-T14 PolarHBondContact O-OG1 3.24Å; T14-A17 PolarHBondContact O-N 3.44Å; T14-S18 VanDerWaalsContact O-CB 3.28Å; T14-S18 WeakPolarHBondContact O-CB 3.34Å; T14-S18 PolarHBondContact O-N 3.11Å
15L77Confident76.2Confident101 Ų101107.2 Ų107.253%0.52953%0.53SS..Hα-helixtrans-63-47.4171.6-159.990.4000110.7L11 L12 A17 S18 I19L11-L15 WeakPolarHBondContact O-CB 3.38Å; L11-L15 PolarHBondContact O-N 3.11Å; L12-L15 PolarHBondContact O-N 3.47Å; L15-A17 PolarHBondContact O-N 3.27Å; L15-S18 PolarHBondContact O-N 3Å; L15-I19 HydrophobicContact CD2-CD1 3.87Å; L15-I19 HydrophobicContact CG-CD1 3.87Å; L15-I19 WeakPolarHBondContact O-CB 3.37Å; L15-I19 WeakPolarHBondContact O-CD1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.24Å; L15-I19 PolarHBondContact O-N 2.73Å
16L78.6Confident76.8Confident93 Ų93108.1 Ų108.149%0.48754%0.535SS..Hα-helixtrans-62.3-41.5176.3-76.2167.9000112.4L12 P13 I19 T20L12-L16 HydrophobicContact CG-CD1 4.06Å; L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 VanDerWaalsContact O-CG 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 3Å; P13-L16 PolarHBondContact O-N 3.11Å; L16-I19 PolarHBondContact O-N 3.1Å; L16-T20 WeakPolarHBondContact O-CB 3.03Å; L16-T20 WeakPolarHBondContact O-CG2 3.38Å; L16-T20 PolarHBondContact O-N 3.09Å; L16-T20 PolarHBondContact O-OG1 2.73Å
17A78.2Confident77.4Confident56 Ų56103.9 Ų103.946%0.46353%0.525SS..Hα-helixtrans-65.5-39.3175.200000111.9P13 T14 L15 T20 K21P13-A17 VanDerWaalsContact O-CB 3.23Å; P13-A17 WeakPolarHBondContact O-CB 3.25Å; P13-A17 PolarHBondContact O-N 3.22Å; T14-A17 PolarHBondContact O-N 3.44Å; L15-A17 PolarHBondContact O-N 3.27Å; A17-T20 VanDerWaalsContact CA-OG1 3.27Å; A17-T20 WeakPolarHBondContact CA-OG1 3.43Å; A17-T20 PolarHBondContact O-OG1 2.89Å; A17-K21 WeakPolarHBondContact O-CB 3.19Å; A17-K21 PolarHBondContact O-N 2.68Å
18S77.8Confident77.9Confident61 Ų61102.2 Ų102.243%0.42752%0.522SS..Hα-helixtrans-65.2-50173.6-1750000110.9T14 L15 T20 K21 Y22T14-S18 VanDerWaalsContact O-CB 3.28Å; T14-S18 WeakPolarHBondContact O-CB 3.34Å; T14-S18 PolarHBondContact O-N 3.11Å; L15-S18 PolarHBondContact O-N 3Å; S18-T20 PolarHBondContact O-N 3.01Å; S18-K21 PolarHBondContact O-N 2.75Å; S18-Y22 VanDerWaalsContact O-CB 3.26Å; S18-Y22 WeakPolarHBondContact O-CB 3.42Å; S18-Y22 PolarHBondContact O-N 3.48Å
19I78.6Confident78.8Confident91 Ų91102.6 Ų102.647%0.46752%0.518SS..Hα-helixtrans-59.3-44.5177.7-69.7164.5000110.8L15 L16 Y22 A23L15-I19 HydrophobicContact CD2-CD1 3.87Å; L15-I19 HydrophobicContact CG-CD1 3.87Å; L15-I19 WeakPolarHBondContact O-CB 3.37Å; L15-I19 WeakPolarHBondContact O-CD1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.24Å; L15-I19 PolarHBondContact O-N 2.73Å; L16-I19 PolarHBondContact O-N 3.1Å; I19-Y22 PolarHBondContact O-N 3.25Å; I19-A23 WeakPolarHBondContact O-CB 3.43Å; I19-A23 PolarHBondContact O-N 2.81Å
20T77.6Confident79.4Confident81 Ų8196 Ų9650%0.49750%0.499SS..Hα-helixtrans-67.2-43.7177.244.70000111.8L16 A17 S18 Y22 A23 V24L16-T20 WeakPolarHBondContact O-CB 3.03Å; L16-T20 WeakPolarHBondContact O-CG2 3.38Å; L16-T20 PolarHBondContact O-N 3.09Å; L16-T20 PolarHBondContact O-OG1 2.73Å; A17-T20 VanDerWaalsContact CA-OG1 3.27Å; A17-T20 WeakPolarHBondContact CA-OG1 3.43Å; A17-T20 PolarHBondContact O-OG1 2.89Å; S18-T20 PolarHBondContact O-N 3.01Å; T20-Y22 VanDerWaalsContact C-N 3.31Å; T20-Y22 PolarHBondContact O-N 3.37Å; T20-A23 PolarHBondContact O-N 3.46Å; T20-V24 WeakPolarHBondContact O-CB 3.25Å; T20-V24 WeakPolarHBondContact O-CG2 3.32Å; T20-V24 PolarHBondContact O-N 3.27Å
21K77.3Confident80.1Confident123 Ų12391.3 Ų91.354%0.53549%0.487SS..Hα-helixtrans-62.8-38.7174.1-167.9177.3-176.2178.30111.7A17 S18 R25A17-K21 WeakPolarHBondContact O-CB 3.19Å; A17-K21 PolarHBondContact O-N 2.68Å; S18-K21 PolarHBondContact O-N 2.75Å; K21-R25 WeakPolarHBondContact O-CB 3.22Å; K21-R25 WeakPolarHBondContact O-CG 3.5Å; K21-R25 PolarHBondContact O-N 3.13Å
22Y78.5Confident80.8Confident154 Ų15493.2 Ų93.260%0.60449%0.492SS*.Hα-helixtrans-64.5-50.6173.9-110.9-99.3000111.3S18 I19 T20 V24 R25 L26S18-Y22 VanDerWaalsContact O-CB 3.26Å; S18-Y22 WeakPolarHBondContact O-CB 3.42Å; S18-Y22 PolarHBondContact O-N 3.48Å; I19-Y22 PolarHBondContact O-N 3.25Å; T20-Y22 VanDerWaalsContact C-N 3.31Å; T20-Y22 PolarHBondContact O-N 3.37Å; Y22-V24 PolarHBondContact O-N 2.67Å; Y22-R25 PolarHBondContact O-N 3.37Å; Y22-L26 HydrophobicContact CD1-CD1 3.37Å; Y22-L26 HydrophobicContact CD1-CG 4.27Å; Y22-L26 HydrophobicContact CE1-CD1 3.53Å; Y22-L26 HydrophobicContact CG-CD1 4.47Å; Y22-L26 WeakPolarHBondContact O-CB 3.46Å; Y22-L26 PolarHBondContact O-N 2.9Å
23A79.2Confident81.5Confident35 Ų3592.9 Ų92.929%0.28949%0.49SS..Hα-helixtrans-63-41.617900000111.6I19 T20 I27 L28I19-A23 WeakPolarHBondContact O-CB 3.43Å; I19-A23 PolarHBondContact O-N 2.81Å; T20-A23 PolarHBondContact O-N 3.46Å; A23-I27 WeakPolarHBondContact O-CA 3.41Å; A23-I27 VanDerWaalsContact O-CB 3.23Å; A23-I27 WeakPolarHBondContact O-CB 3.49Å; A23-I27 PolarHBondContact O-N 3.09Å; A23-L28 PolarHBondContact O-N 2.98Å
24V76.2Confident82.1Confident77 Ų7794.7 Ų94.747%0.46749%0.494SS..Iπ-helixtrans-62.2-46.7175.2171.20000110.8T20 Y22 L28 L29T20-V24 WeakPolarHBondContact O-CB 3.25Å; T20-V24 WeakPolarHBondContact O-CG2 3.32Å; T20-V24 PolarHBondContact O-N 3.27Å; Y22-V24 PolarHBondContact O-N 2.67Å; V24-L28 HydrophobicContact CG2-CD1 3.95Å; V24-L28 PolarHBondContact O-N 3.14Å; V24-L29 VanDerWaalsContact O-CB 3.26Å; V24-L29 WeakPolarHBondContact O-CB 3.37Å; V24-L29 PolarHBondContact O-N 2.9Å
25R78.2Confident82.7Confident160 Ų16097.3 Ų97.360%0.60450%0.498SS*.Iπ-helixtrans-77.6-38.4-175.6-75-178.1174.8-167.3-4.6114.4K21 Y22 P30K21-R25 WeakPolarHBondContact O-CB 3.22Å; K21-R25 WeakPolarHBondContact O-CG 3.5Å; K21-R25 PolarHBondContact O-N 3.13Å; Y22-R25 PolarHBondContact O-N 3.37Å; R25-P30 VanDerWaalsContact O-CD 3.26Å; R25-P30 WeakPolarHBondContact O-CD 3.5Å
26L81.4Confident83.5Confident115 Ų11596.5 Ų96.560%0.60249%0.493SS*.Iπ-helixtrans-94.9-21-175-66.8-178.1000113.6Y22 P30Y22-L26 HydrophobicContact CD1-CD1 3.37Å; Y22-L26 HydrophobicContact CD1-CG 4.27Å; Y22-L26 HydrophobicContact CE1-CD1 3.53Å; Y22-L26 HydrophobicContact CG-CD1 4.47Å; Y22-L26 WeakPolarHBondContact O-CB 3.46Å; Y22-L26 PolarHBondContact O-N 2.9Å; L26-P30 WeakPolarHBondContact O-CG 3.47Å
27I83.4Confident84.2Confident98 Ų9897 Ų9750%0.50350%0.496SS..Iπ-helixtrans-117.6-62.8-175.9-52.6174.8000110A23 P30 I31A23-I27 WeakPolarHBondContact O-CA 3.41Å; A23-I27 VanDerWaalsContact O-CB 3.23Å; A23-I27 WeakPolarHBondContact O-CB 3.49Å; A23-I27 PolarHBondContact O-N 3.09Å; I27-P30 WeakPolarHBondContact O-CD 3.39Å; I27-I31 HydrophobicContact CG2-CD1 3.6Å; I27-I31 WeakPolarHBondContact O-CB 3.25Å; I27-I31 WeakPolarHBondContact O-CD1 3.5Å; I27-I31 WeakPolarHBondContact O-CG1 3.31Å; I27-I31 PolarHBondContact O-N 2.83Å
28L85.1Confident84.9Confident102 Ų10296.3 Ų96.353%0.53449%0.494SS..Iπ-helixtrans-68.4-42.5-172-63.3173.8000113.1A23 V24 I31 F32A23-L28 PolarHBondContact O-N 2.98Å; V24-L28 HydrophobicContact CG2-CD1 3.95Å; V24-L28 PolarHBondContact O-N 3.14Å; L28-I31 PolarHBondContact O-N 3.41Å; L28-F32 VanDerWaalsContact O-CB 3.26Å; L28-F32 WeakPolarHBondContact O-CB 3.28Å; L28-F32 PolarHBondContact O-N 3.36Å
29L85.9Confident85.6Confident87 Ų8797.9 Ų97.946%0.45550%0.495SS..Hα-helixtrans-65.4-48179.8178.269.9000111.6V24 I31 F32 I33V24-L29 VanDerWaalsContact O-CB 3.26Å; V24-L29 WeakPolarHBondContact O-CB 3.37Å; V24-L29 PolarHBondContact O-N 2.9Å; L29-I31 PolarHBondContact O-N 2.89Å; L29-F32 PolarHBondContact O-N 3.45Å; L29-I33 HydrophobicContact CD1-CD1 4.15Å; L29-I33 HydrophobicContact CD1-CG1 4.38Å; L29-I33 HydrophobicContact CG-CD1 3.92Å; L29-I33 WeakPolarHBondContact O-CB 3.45Å; L29-I33 VanDerWaalsContact O-CG1 3.26Å; L29-I33 WeakPolarHBondContact O-CG1 3.38Å; L29-I33 PolarHBondContact O-N 2.75Å
30P87.6Confident86.3Confident49 Ų4995 Ų9532%0.31849%0.485SS..Hα-helixtrans-59.7-42.3172-29.338.4000113.3R25 L26 I27 F32 I33 I34R25-P30 VanDerWaalsContact O-CD 3.26Å; R25-P30 WeakPolarHBondContact O-CD 3.5Å; L26-P30 WeakPolarHBondContact O-CG 3.47Å; I27-P30 WeakPolarHBondContact O-CD 3.39Å; P30-F32 VanDerWaalsContact C-N 3.33Å; P30-F32 PolarHBondContact O-N 3.22Å; P30-I33 PolarHBondContact O-N 3.23Å; P30-I34 WeakPolarHBondContact O-CB 3.5Å; P30-I34 WeakPolarHBondContact O-CD1 3.48Å; P30-I34 WeakPolarHBondContact O-CG1 3.28Å; P30-I34 PolarHBondContact O-N 3.34Å
31I90.5Very high87.2Confident97 Ų9795.8 Ų95.850%0.49749%0.489SS..Hα-helixtrans-60.5-44175.7-71169.3000110.8I27 L28 L29 I34 F35I27-I31 HydrophobicContact CG2-CD1 3.6Å; I27-I31 WeakPolarHBondContact O-CB 3.25Å; I27-I31 WeakPolarHBondContact O-CD1 3.5Å; I27-I31 WeakPolarHBondContact O-CG1 3.31Å; I27-I31 PolarHBondContact O-N 2.83Å; L28-I31 PolarHBondContact O-N 3.41Å; L29-I31 PolarHBondContact O-N 2.89Å; I31-I34 PolarHBondContact O-N 3.39Å; I31-F35 WeakPolarHBondContact O-CB 3.26Å; I31-F35 PolarHBondContact O-N 3.46Å
32F90.2Very high88Confident123 Ų12396.6 Ų96.654%0.53949%0.493SS..Hα-helixtrans-65.4-41.4177.6-176.7-111.1000112L28 L29 P30 F35 I36L28-F32 VanDerWaalsContact O-CB 3.26Å; L28-F32 WeakPolarHBondContact O-CB 3.28Å; L28-F32 PolarHBondContact O-N 3.36Å; L29-F32 PolarHBondContact O-N 3.45Å; P30-F32 VanDerWaalsContact C-N 3.33Å; P30-F32 PolarHBondContact O-N 3.22Å; F32-F35 WeakPolarHBondContact O-CB 3.45Å; F32-F35 PolarHBondContact O-N 3.49Å; F32-I36 HydrophobicContact CD1-CD1 3.69Å; F32-I36 HydrophobicContact CE1-CD1 3.23Å; F32-I36 HydrophobicContact CE1-CG1 4.28Å; F32-I36 HydrophobicContact CE2-CD1 4.18Å; F32-I36 HydrophobicContact CE2-CG1 4.45Å; F32-I36 HydrophobicContact CG-CD1 4.35Å; F32-I36 HydrophobicContact CZ-CD1 3.51Å; F32-I36 HydrophobicContact CZ-CG1 4.23Å; F32-I36 WeakPolarHBondContact O-CG1 3.43Å; F32-I36 PolarHBondContact O-N 3.03Å
33I91Very high88.8Confident79 Ų7992.6 Ų92.641%0.40548%0.477SS..Hα-helixtrans-62.3-47.3173.7-69.8166.9000110.3L29 P30 F35 I36 L37L29-I33 HydrophobicContact CD1-CD1 4.15Å; L29-I33 HydrophobicContact CD1-CG1 4.38Å; L29-I33 HydrophobicContact CG-CD1 3.92Å; L29-I33 WeakPolarHBondContact O-CB 3.45Å; L29-I33 VanDerWaalsContact O-CG1 3.26Å; L29-I33 WeakPolarHBondContact O-CG1 3.38Å; L29-I33 PolarHBondContact O-N 2.75Å; P30-I33 PolarHBondContact O-N 3.23Å; I33-F35 VanDerWaalsContact C-N 3.28Å; I33-F35 PolarHBondContact O-N 3.49Å; I33-I36 PolarHBondContact O-N 3.47Å; I33-L37 HydrophobicContact CG2-CD1 3.68Å; I33-L37 HydrophobicContact CG2-CG 4.18Å; I33-L37 WeakPolarHBondContact O-CB 3.39Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.31Å; I33-L37 PolarHBondContact O-N 2.93Å
34I92.8Very high89.6Confident119 Ų11997.2 Ų97.261%0.6149%0.491SS*.Hα-helixtrans-59.2-41.2176-70.2164.5000110.4P30 I31 G38P30-I34 WeakPolarHBondContact O-CB 3.5Å; P30-I34 WeakPolarHBondContact O-CD1 3.48Å; P30-I34 WeakPolarHBondContact O-CG1 3.28Å; P30-I34 PolarHBondContact O-N 3.34Å; I31-I34 PolarHBondContact O-N 3.39Å; I34-G38 PolarHBondContact O-N 2.83Å
35F92.2Very high90.6Very high143 Ų143100 Ų10063%0.62750%0.497SS*.Hα-helixtrans-63.7-47.5176.3178.6-95.4000112I31 F32 I33 G38 H39I31-F35 WeakPolarHBondContact O-CB 3.26Å; I31-F35 PolarHBondContact O-N 3.46Å; F32-F35 WeakPolarHBondContact O-CB 3.45Å; F32-F35 PolarHBondContact O-N 3.49Å; I33-F35 VanDerWaalsContact C-N 3.28Å; I33-F35 PolarHBondContact O-N 3.49Å; F35-G38 PolarHBondContact O-N 2.89Å; F35-H39 WeakPolarHBondContact O-CB 3.34Å; F35-H39 PolarHBondContact O-N 3.28Å
36I92.7Very high91.5Very high84 Ų8495.1 Ų95.143%0.43148%0.48SS..Hα-helixtrans-61.2-48176.3-71.7172.3000110.6F32 I33 H39 A40F32-I36 HydrophobicContact CD1-CD1 3.69Å; F32-I36 HydrophobicContact CE1-CD1 3.23Å; F32-I36 HydrophobicContact CE1-CG1 4.28Å; F32-I36 HydrophobicContact CE2-CD1 4.18Å; F32-I36 HydrophobicContact CE2-CG1 4.45Å; F32-I36 HydrophobicContact CG-CD1 4.35Å; F32-I36 HydrophobicContact CZ-CD1 3.51Å; F32-I36 HydrophobicContact CZ-CG1 4.23Å; F32-I36 WeakPolarHBondContact O-CG1 3.43Å; F32-I36 PolarHBondContact O-N 3.03Å; I33-I36 PolarHBondContact O-N 3.47Å; I36-H39 PolarHBondContact O-N 3.01Å; I36-A40 WeakPolarHBondContact O-CB 3.46Å; I36-A40 PolarHBondContact O-N 3.02Å
37L93.6Very high92.2Very high103 Ų10394.7 Ų94.754%0.53947%0.473SS..Hα-helixtrans-61.4-45.3178.5-72.8173.2000110.8I33 H39 A40 V41I33-L37 HydrophobicContact CG2-CD1 3.68Å; I33-L37 HydrophobicContact CG2-CG 4.18Å; I33-L37 WeakPolarHBondContact O-CB 3.39Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.31Å; I33-L37 PolarHBondContact O-N 2.93Å; L37-H39 VanDerWaalsContact C-N 3.34Å; L37-H39 PolarHBondContact O-N 2.96Å; L37-A40 PolarHBondContact O-N 3.49Å; L37-V41 WeakPolarHBondContact O-CB 3.42Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.36Å; L37-V41 PolarHBondContact O-N 2.75Å
38G93.9Very high92.9Very high42 Ų4293.3 Ų93.343%0.43347%0.472SS..Hα-helixtrans-60.1-42.7175.900000112.3I34 F35 K42I34-G38 PolarHBondContact O-N 2.83Å; F35-G38 PolarHBondContact O-N 2.89Å; G38-K42 WeakPolarHBondContact O-CB 3.43Å; G38-K42 PolarHBondContact O-N 2.96Å
39H91.6Very high93.5Very high93 Ų9394.4 Ų94.443%0.43147%0.473SS..Hα-helixtrans-65.9-42.2175.3-172.4-88.6000112F35 I36 L37 K42 Y43 F418F35-H39 WeakPolarHBondContact O-CB 3.34Å; F35-H39 PolarHBondContact O-N 3.28Å; I36-H39 PolarHBondContact O-N 3.01Å; L37-H39 VanDerWaalsContact C-N 3.34Å; L37-H39 PolarHBondContact O-N 2.96Å; H39-K42 PolarHBondContact O-N 3.26Å; H39-Y43 WeakPolarHBondContact O-CB 3.33Å; H39-Y43 PolarHBondContact O-N 2.99Å; H39-F418 AromaticContact NE2-CE2 3.77Å
40A94.3Very high94Very high32 Ų3290.4 Ų90.426%0.26445%0.452SS..Hα-helixtrans-62.6-47.4175.700000111.4I36 L37 K42 Y43 F44I36-A40 WeakPolarHBondContact O-CB 3.46Å; I36-A40 PolarHBondContact O-N 3.02Å; L37-A40 PolarHBondContact O-N 3.49Å; A40-K42 VanDerWaalsContact C-N 3.34Å; A40-K42 PolarHBondContact O-N 2.91Å; A40-Y43 WeakPolarHBondContact O-CB 3.42Å; A40-Y43 PolarHBondContact O-N 3.48Å; A40-Y43 VanDerWaalsContact O-N 3.17Å; A40-F44 HydrophobicContact CB-CD2 4.49Å; A40-F44 HydrophobicContact CB-CE2 4.44Å; A40-F44 WeakPolarHBondContact O-CD2 3.45Å; A40-F44 PolarHBondContact O-N 3.06Å
41V95.9Very high94.5Very high97 Ų9796.8 Ų96.859%0.58847%0.47SS*.Hα-helixtrans-58.6-46175.3170.50000110.6L37 Y43 F44 K45L37-V41 WeakPolarHBondContact O-CB 3.42Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.36Å; L37-V41 PolarHBondContact O-N 2.75Å; V41-Y43 VanDerWaalsContact C-N 3.33Å; V41-Y43 PolarHBondContact O-N 2.93Å; V41-F44 PolarHBondContact O-N 3.25Å; V41-K45 WeakPolarHBondContact O-CB 3.47Å; V41-K45 PolarHBondContact O-N 3.47Å
42K94.7Very high94.9Very high139 Ų13996.1 Ų96.160%0.60447%0.466SS*.Hα-helixtrans-58.5-45.1175.5-176.3-178.8178.9-178.70111.5G38 H39 A40 K46 F418G38-K42 WeakPolarHBondContact O-CB 3.43Å; G38-K42 PolarHBondContact O-N 2.96Å; H39-K42 PolarHBondContact O-N 3.26Å; A40-K42 VanDerWaalsContact C-N 3.34Å; A40-K42 PolarHBondContact O-N 2.91Å; K42-K46 WeakPolarHBondContact O-CB 3.26Å; K42-K46 PolarHBondContact O-N 3.15Å; K42-F418 HydrophobicContact CD-CZ 4.41Å; K42-F418 HydrophobicContact CG-CE1 4.26Å; K42-F418 HydrophobicContact CG-CZ 4.19Å
43Y95.2Very high95.2Very high71 Ų7192.7 Ų92.728%0.27845%0.451SS..Hα-helixtrans-62.1-52.1178.4176.2-95.7000112H39 A40 V41 K45 K46 K47 F418 A419H39-Y43 WeakPolarHBondContact O-CB 3.33Å; H39-Y43 PolarHBondContact O-N 2.99Å; A40-Y43 WeakPolarHBondContact O-CB 3.42Å; A40-Y43 PolarHBondContact O-N 3.48Å; A40-Y43 VanDerWaalsContact O-N 3.17Å; V41-Y43 VanDerWaalsContact C-N 3.33Å; V41-Y43 PolarHBondContact O-N 2.93Å; Y43-K45 PolarHBondContact O-N 2.95Å; Y43-K46 PolarHBondContact O-N 3.27Å; Y43-K47 HydrophobicContact CE1-CD 4.16Å; Y43-K47 WeakPolarHBondContact O-CB 3.15Å; Y43-K47 PolarHBondContact O-N 2.92Å; Y43-F418 HydrophobicContact CD2-CE2 4.32Å; Y43-F418 HydrophobicContact CD2-CZ 4.26Å; Y43-A419 HydrophobicContact CD2-CB 3.78Å; Y43-A419 HydrophobicContact CE2-CB 3.77Å
44F96.5Very high95.6Very high132 Ų13290.1 Ų90.158%0.57944%0.438SS*.Hα-helixtrans-66.4-38.3-179.6-73.7-66.8000112.5A40 V41 K46 K47 S48A40-F44 HydrophobicContact CB-CD2 4.49Å; A40-F44 HydrophobicContact CB-CE2 4.44Å; A40-F44 WeakPolarHBondContact O-CD2 3.45Å; A40-F44 PolarHBondContact O-N 3.06Å; V41-F44 PolarHBondContact O-N 3.25Å; F44-K46 PolarHBondContact O-N 2.96Å; F44-K47 PolarHBondContact O-N 3.46Å; F44-S48 WeakPolarHBondContact O-CB 3.47Å; F44-S48 PolarHBondContact O-N 3.3Å
45K96.7Very high95.8Very high135 Ų13589.4 Ų89.459%0.58744%0.435SS*.Hα-helixtrans-61.1-44.5173.6-175.2175.4-176.1173.80111.4V41 Y43 K49V41-K45 WeakPolarHBondContact O-CB 3.47Å; V41-K45 PolarHBondContact O-N 3.47Å; Y43-K45 PolarHBondContact O-N 2.95Å; K45-K49 WeakPolarHBondContact O-CG 3.42Å; K45-K49 PolarHBondContact O-N 3.42Å
46K96.7Very high96.1Very high58 Ų5890.4 Ų90.425%0.25243%0.434SS..Hα-helixtrans-63.9-48.4175.2-179.671.1169.8-171.70110.9K42 Y43 F44 S48 K49 L50 N178 F418 A419K42-K46 WeakPolarHBondContact O-CB 3.26Å; K42-K46 PolarHBondContact O-N 3.15Å; Y43-K46 PolarHBondContact O-N 3.27Å; F44-K46 PolarHBondContact O-N 2.96Å; K46-S48 VanDerWaalsContact C-N 3.31Å; K46-S48 PolarHBondContact O-N 3.45Å; K46-K49 WeakPolarHBondContact O-CB 3.47Å; K46-K49 PolarHBondContact O-N 3.36Å; K46-K49 VanDerWaalsContact O-N 3.12Å; K46-L50 HydrophobicContact CD-CG 4.43Å; K46-L50 HydrophobicContact CG-CD1 4.16Å; K46-L50 HydrophobicContact CG-CG 4.32Å; K46-L50 WeakPolarHBondContact O-CG 3.4Å; K46-L50 PolarHBondContact O-N 3.23Å; K46-N178 VanDerWaalsContact NZ-CG 3.25Å; K46-N178 PolarHBondContact NZ-OD1 3.04Å; K46-F418 HydrophobicContact CB-CD1 4.32Å; K46-F418 HydrophobicContact CB-CE1 3.92Å; K46-F418 HydrophobicContact CG-CD1 3.93Å; K46-F418 HydrophobicContact CG-CE1 4.05Å; K46-A419 HydrophobicContact CB-CB 4.01Å; K46-A419 HydrophobicContact CG-CB 3.7Å
47K96.7Very high96.4Very high105 Ų10586.8 Ų86.846%0.45742%0.415SS..Hα-helixtrans-56.4-42.9179.1-172.2172.1-179.5177.40112.2Y43 F44 L50 R51 A419Y43-K47 HydrophobicContact CE1-CD 4.16Å; Y43-K47 WeakPolarHBondContact O-CB 3.15Å; Y43-K47 PolarHBondContact O-N 2.92Å; F44-K47 PolarHBondContact O-N 3.46Å; K47-L50 PolarHBondContact O-N 2.95Å; K47-R51 PolarHBondContact O-N 2.72Å; K47-A419 HydrophobicContact CB-CB 4.31Å
48S97.3Very high96.5Very high70 Ų7087.2 Ų87.249%0.4941%0.41SS..Hα-helixtrans-61.9-46.5175179.80000112.3F44 K46 L50 R51 I52F44-S48 WeakPolarHBondContact O-CB 3.47Å; F44-S48 PolarHBondContact O-N 3.3Å; K46-S48 VanDerWaalsContact C-N 3.31Å; K46-S48 PolarHBondContact O-N 3.45Å; S48-L50 VanDerWaalsContact C-N 3.33Å; S48-L50 PolarHBondContact O-N 3.36Å; S48-R51 WeakPolarHBondContact O-CB 3.19Å; S48-R51 PolarHBondContact O-N 3.36Å; S48-I52 PolarHBondContact O-N 2.93Å; S48-I52 VanDerWaalsContact O-N 3.15Å
49K97.3Very high96.7Very high124 Ų12491.7 Ų91.754%0.53942%0.42SS..Hα-helixtrans-60.1-40.9174.7-72.3-177.7175.2-168.10112.6K45 K46 I52 K53K45-K49 WeakPolarHBondContact O-CG 3.42Å; K45-K49 PolarHBondContact O-N 3.42Å; K46-K49 WeakPolarHBondContact O-CB 3.47Å; K46-K49 PolarHBondContact O-N 3.36Å; K46-K49 VanDerWaalsContact O-N 3.12Å; K49-I52 PolarHBondContact O-N 2.9Å; K49-K53 PolarHBondContact O-N 3.49Å; K49-K53 VanDerWaalsContact O-N 3.08Å
50L98Very high96.9Very high4 Ų489.7 Ų89.72%0.02142%0.416CS..Hα-helixtrans-62.9-44.3176-67.3179.8000110.8K46 K47 S48 I52 K53 L54 I177 N178 A419K46-L50 HydrophobicContact CD-CG 4.43Å; K46-L50 HydrophobicContact CG-CD1 4.16Å; K46-L50 HydrophobicContact CG-CG 4.32Å; K46-L50 WeakPolarHBondContact O-CG 3.4Å; K46-L50 PolarHBondContact O-N 3.23Å; K47-L50 PolarHBondContact O-N 2.95Å; S48-L50 VanDerWaalsContact C-N 3.33Å; S48-L50 PolarHBondContact O-N 3.36Å; L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.01Å; L50-K53 WeakPolarHBondContact O-CB 3.4Å; L50-K53 PolarHBondContact O-N 3.07Å; L50-K53 VanDerWaalsContact O-N 3.09Å; L50-L54 PolarHBondContact O-N 3.28Å; L50-I177 HydrophobicContact CB-CB 4.35Å; L50-I177 HydrophobicContact CB-CG2 3.82Å; L50-I177 HydrophobicContact CD2-CB 4.24Å; L50-I177 HydrophobicContact CD2-CG2 4.08Å; L50-I177 WeakPolarHBondContact O-CG2 3.46Å; L50-N178 VanDerWaalsContact CD2-CA 3.49Å; L50-N178 HydrophobicContact CD2-CB 3.68Å; L50-A419 HydrophobicContact CD1-CB 4.12Å; L50-A419 WeakPolarHBondContact CD1-O 3.47Å
51R97.4Very high97Very high183 Ų18388.5 Ų88.569%0.69141%0.405SS*.Hα-helixtrans-55.4-45.2175.8-173.6178.9179.8-1790.4112.4K47 S48 L54 L55K47-R51 PolarHBondContact O-N 2.72Å; S48-R51 WeakPolarHBondContact O-CB 3.19Å; S48-R51 PolarHBondContact O-N 3.36Å; R51-L54 PolarHBondContact O-N 3.01Å; R51-L55 HydrophobicContact CG-CD1 4.36Å; R51-L55 WeakPolarHBondContact O-CG 3.45Å; R51-L55 PolarHBondContact O-N 2.98Å
52I97.9Very high97Very high82 Ų8287 Ų8742%0.42140%0.396SS..Hα-helixtrans-63.1-43.2177.2-64.2168.7000111S48 K49 L50 L54 L55 R56S48-I52 PolarHBondContact O-N 2.93Å; S48-I52 VanDerWaalsContact O-N 3.15Å; K49-I52 PolarHBondContact O-N 2.9Å; L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.01Å; I52-L54 PolarHBondContact O-N 3.09Å; I52-L55 PolarHBondContact O-N 3.08Å; I52-R56 WeakPolarHBondContact O-CG 3.09Å; I52-R56 PolarHBondContact O-N 3.4Å
53K98.1Very high97Very high51 Ų5185.5 Ų85.522%0.22239%0.391CS..Hα-helixtrans-60.5-43.5176-77.9-173.6168.3-158.20112.7K49 L50 R56 K57 I177 N178 N181K49-K53 PolarHBondContact O-N 3.49Å; K49-K53 VanDerWaalsContact O-N 3.08Å; L50-K53 WeakPolarHBondContact O-CB 3.4Å; L50-K53 PolarHBondContact O-N 3.07Å; L50-K53 VanDerWaalsContact O-N 3.09Å; K53-R56 PolarHBondContact O-N 3.46Å; K53-K57 PolarHBondContact O-N 3.42Å; K53-I177 HydrophobicContact CB-CG2 4.11Å; K53-N178 PolarHBondContact NZ-O 3.49Å; K53-N181 PolarHBondContact O-ND2 3.44Å
54L98.2Very high97.1Very high26 Ų2684 Ų8414%0.13639%0.385CS..Hα-helixtrans-62.7-46.3178.4-179.260.8000110.9L50 R51 I52 R56 K57 R58 I177L50-L54 PolarHBondContact O-N 3.28Å; R51-L54 PolarHBondContact O-N 3.01Å; I52-L54 PolarHBondContact O-N 3.09Å; L54-R56 PolarHBondContact O-N 3.42Å; L54-K57 PolarHBondContact O-N 2.96Å; L54-R58 HydrophobicContact CD1-CG 4.11Å; L54-R58 HydrophobicContact CG-CG 4.45Å; L54-R58 WeakPolarHBondContact O-CB 3.37Å; L54-R58 WeakPolarHBondContact O-CG 3.46Å; L54-R58 PolarHBondContact O-N 3.06Å; L54-I177 HydrophobicContact CB-CD1 4.33Å; L54-I177 HydrophobicContact CB-CG1 4.46Å; L54-I177 HydrophobicContact CB-CG2 3.78Å; L54-I177 HydrophobicContact CD1-CG1 4.27Å; L54-I177 HydrophobicContact CD2-CD1 3.91Å; L54-I177 HydrophobicContact CG-CD1 4.49Å
55L98.1Very high97Very high103 Ų10377.8 Ų77.854%0.53936%0.358SS..Hα-helixtrans-59.6-45.9178.5-71.8172.2000111.7R51 I52 K57 R58 Q59R51-L55 HydrophobicContact CG-CD1 4.36Å; R51-L55 WeakPolarHBondContact O-CG 3.45Å; R51-L55 PolarHBondContact O-N 2.98Å; I52-L55 PolarHBondContact O-N 3.08Å; L55-K57 PolarHBondContact O-N 2.96Å; L55-R58 PolarHBondContact O-N 3.41Å; L55-Q59 WeakPolarHBondContact O-CB 3.35Å; L55-Q59 PolarHBondContact O-N 3.46Å
56R98.1Very high97Very high164 Ų16475.5 Ų75.562%0.61935%0.352SS*.Hα-helixtrans-60.5-45.3176.1-71.8179-176.2177-0.9112.4I52 K53 L54 Q59 S60I52-R56 WeakPolarHBondContact O-CG 3.09Å; I52-R56 PolarHBondContact O-N 3.4Å; K53-R56 PolarHBondContact O-N 3.46Å; L54-R56 PolarHBondContact O-N 3.42Å; R56-Q59 PolarHBondContact O-N 2.89Å; R56-S60 PolarHBondContact O-N 3.47Å
57K97.9Very high97Very high8 Ų877.5 Ų77.54%0.03536%0.362CS..Hα-helixtrans-63.8-46.9178.8-179.256.1175.4-179.60111.3K53 L54 L55 Q59 S60 I61 E129 D171 C180 N181 V220K53-K57 PolarHBondContact O-N 3.42Å; L54-K57 PolarHBondContact O-N 2.96Å; L55-K57 PolarHBondContact O-N 2.96Å; K57-Q59 VanDerWaalsContact C-N 3.35Å; K57-Q59 PolarHBondContact O-N 3.28Å; K57-S60 WeakPolarHBondContact O-CB 3.26Å; K57-S60 PolarHBondContact O-N 3.47Å; K57-I61 HydrophobicContact CD-CD1 4.14Å; K57-I61 HydrophobicContact CD-CG1 4.28Å; K57-I61 HydrophobicContact CG-CD1 3.94Å; K57-I61 VanDerWaalsContact O-CG1 3.3Å; K57-I61 WeakPolarHBondContact O-CG1 3.45Å; K57-I61 PolarHBondContact O-N 3.09Å; K57-E129 IonicContact NZ-OE1 2.67Å; K57-E129 PolarHBondContact NZ-OE1 2.93Å; K57-E129 IonicContact NZ-OE2 2.73Å; K57-E129 PolarHBondContact NZ-OE2 3.26Å; K57-D171 WeakPolarHBondContact CE-OD2 3.08Å; K57-D171 IonicContact NZ-OD2 3.82Å; K57-D171 PolarHBondContact NZ-OD2 3.3Å; K57-C180 HydrophobicContact CB-CB 3.92Å; K57-C180 HydrophobicContact CG-CB 4.09Å; K57-N181 PolarHBondContact N-OD1 2.92Å; K57-V220 HydrophobicContact CG-CG1 4.23Å
58R96.5Very high97Very high112 Ų11273.4 Ų73.442%0.42335%0.346SS..Hα-helixtrans-62-41.4177.5-73.1-176.3177-179.40.8112.2L54 L55 S60 I61 T62 P219 V220L54-R58 HydrophobicContact CD1-CG 4.11Å; L54-R58 HydrophobicContact CG-CG 4.45Å; L54-R58 WeakPolarHBondContact O-CB 3.37Å; L54-R58 WeakPolarHBondContact O-CG 3.46Å; L54-R58 PolarHBondContact O-N 3.06Å; L55-R58 PolarHBondContact O-N 3.41Å; R58-S60 VanDerWaalsContact C-N 3.35Å; R58-S60 PolarHBondContact O-N 2.78Å; R58-I61 PolarHBondContact O-N 3.42Å; R58-T62 WeakPolarHBondContact O-CB 3.49Å; R58-T62 PolarHBondContact O-N 3.42Å; R58-T62 PolarHBondContact O-OG1 3.07Å; R58-T62 VanDerWaalsContact O-OG1 3.08Å; R58-P219 PolarHBondContact NH2-O 2.82Å; R58-V220 PolarHBondContact NE-O 2.81Å
59Q97.7Very high96.9Very high137 Ų13773.2 Ų73.264%0.6434%0.336SS*.Hα-helixtrans-60.2-44.4174.5-175.41791.300111.8L55 R56 K57 I61 T62 Q63L55-Q59 WeakPolarHBondContact O-CB 3.35Å; L55-Q59 PolarHBondContact O-N 3.46Å; R56-Q59 PolarHBondContact O-N 2.89Å; K57-Q59 VanDerWaalsContact C-N 3.35Å; K57-Q59 PolarHBondContact O-N 3.28Å; Q59-I61 VanDerWaalsContact C-N 3.33Å; Q59-I61 PolarHBondContact O-N 3.41Å; Q59-T62 PolarHBondContact O-N 3.06Å; Q59-Q63 WeakPolarHBondContact O-CB 3.45Å; Q59-Q63 PolarHBondContact O-N 2.93Å
60S96.6Very high96.8Very high51 Ų5174 Ų7436%0.35734%0.342SS..Hα-helixtrans-62.5-38.7176.4-178.20000112.7R56 K57 R58 R64R56-S60 PolarHBondContact O-N 3.47Å; K57-S60 WeakPolarHBondContact O-CB 3.26Å; K57-S60 PolarHBondContact O-N 3.47Å; R58-S60 VanDerWaalsContact C-N 3.35Å; R58-S60 PolarHBondContact O-N 2.78Å; S60-R64 PolarHBondContact O-N 3.17Å
61I95.8Very high96.6Very high7 Ų777.2 Ų77.24%0.03636%0.356CS..Hα-helixtrans-67.3-51.6176.3-65.6161000109.7K57 R58 Q59 Q63 R64 M65 F221K57-I61 HydrophobicContact CD-CD1 4.14Å; K57-I61 HydrophobicContact CD-CG1 4.28Å; K57-I61 HydrophobicContact CG-CD1 3.94Å; K57-I61 VanDerWaalsContact O-CG1 3.3Å; K57-I61 WeakPolarHBondContact O-CG1 3.45Å; K57-I61 PolarHBondContact O-N 3.09Å; R58-I61 PolarHBondContact O-N 3.42Å; Q59-I61 VanDerWaalsContact C-N 3.33Å; Q59-I61 PolarHBondContact O-N 3.41Å; I61-Q63 VanDerWaalsContact C-N 3.31Å; I61-Q63 PolarHBondContact O-N 3.48Å; I61-R64 WeakPolarHBondContact O-CB 3.27Å; I61-R64 PolarHBondContact O-N 3.22Å; I61-M65 HydrophobicContact CG2-CE 3.83Å; I61-M65 HydrophobicContact CG2-CG 4.14Å; I61-M65 VanDerWaalsContact O-CG 3.31Å; I61-M65 WeakPolarHBondContact O-CG 3.02Å; I61-M65 PolarHBondContact O-N 2.92Å; I61-F221 HydrophobicContact CD1-CD1 3.7Å; I61-F221 HydrophobicContact CD1-CE1 3.58Å
62T95.1Very high96.4Very high65 Ų6569.6 Ų69.640%0.39933%0.329SS..Hα-helixtrans-54.3-48.2179.1-62.50000111.3R58 Q59 R64 M65 D66R58-T62 WeakPolarHBondContact O-CB 3.49Å; R58-T62 PolarHBondContact O-N 3.42Å; R58-T62 PolarHBondContact O-OG1 3.07Å; R58-T62 VanDerWaalsContact O-OG1 3.08Å; Q59-T62 PolarHBondContact O-N 3.06Å; T62-R64 VanDerWaalsContact C-N 3.29Å; T62-R64 PolarHBondContact O-N 2.94Å; T62-M65 PolarHBondContact O-N 3.44Å; T62-M65 VanDerWaalsContact O-N 3.15Å; T62-D66 WeakPolarHBondContact CG2-OD2 3.42Å; T62-D66 VanDerWaalsContact O-CG 3.23Å; T62-D66 PolarHBondContact O-N 2.89Å
63Q96.4Very high96.1Very high107 Ų10770.5 Ų70.550%0.534%0.343SS..Hα-helixtrans-56-43.9177.3-179.3178.8-1.900112.3Q59 I61 D66 Q67Q59-Q63 WeakPolarHBondContact O-CB 3.45Å; Q59-Q63 PolarHBondContact O-N 2.93Å; I61-Q63 VanDerWaalsContact C-N 3.31Å; I61-Q63 PolarHBondContact O-N 3.48Å; Q63-D66 PolarHBondContact O-N 3.43Å; Q63-Q67 WeakPolarHBondContact O-CB 3.17Å; Q63-Q67 VanDerWaalsContact O-CG 3.24Å; Q63-Q67 WeakPolarHBondContact O-CG 3.23Å; Q63-Q67 PolarHBondContact O-N 3.11Å
64R95.4Very high95.7Very high39 Ų3972 Ų7215%0.14736%0.36CS..Hα-helixtrans-66.8-41.1178.6-177.4-177.7-67.1-94.6-25.8112.3S60 I61 T62 D66 Q67 L68 F130 D132 Y170S60-R64 PolarHBondContact O-N 3.17Å; I61-R64 WeakPolarHBondContact O-CB 3.27Å; I61-R64 PolarHBondContact O-N 3.22Å; T62-R64 VanDerWaalsContact C-N 3.29Å; T62-R64 PolarHBondContact O-N 2.94Å; R64-D66 VanDerWaalsContact C-N 3.34Å; R64-Q67 PolarHBondContact O-N 3.31Å; R64-L68 WeakPolarHBondContact O-CB 3.38Å; R64-L68 PolarHBondContact O-N 3.17Å; R64-F130 VanDerWaalsContact CD-O 3.26Å; R64-F130 WeakPolarHBondContact CD-O 2.99Å; R64-F130 PolarHBondContact NH1-O 3.04Å; R64-D132 IonicContact CZ-OD1 2.71Å; R64-D132 IonicContact CZ-OD2 3.44Å; R64-D132 IonicContact NH1-OD1 3.89Å; R64-D132 PolarHBondContact NH1-OD1 3.41Å; R64-D132 IonicContact NH1-OD2 3.92Å; R64-D132 PolarHBondContact NH1-OD2 2.9Å; R64-D132 IonicContact NH2-OD1 2.79Å; R64-D132 IonicContact NH2-OD2 2.97Å; R64-D132 PolarHBondContact NH2-OD2 3.48Å; R64-Y170 VanDerWaalsContact NH1-CE1 3.32Å; R64-Y170 PolarHBondContact NH1-OH 3.3Å; R64-Y170 VanDerWaalsContact NH1-OH 3.14Å
65M95.6Very high95Very high2 Ų273.1 Ų73.11%0.0137%0.367CS..Hα-helixtrans-61.3-44.8175.2-63-62175.300110.9I61 T62 L68 K69 L117 Y120 I127 F130I61-M65 HydrophobicContact CG2-CE 3.83Å; I61-M65 HydrophobicContact CG2-CG 4.14Å; I61-M65 VanDerWaalsContact O-CG 3.31Å; I61-M65 WeakPolarHBondContact O-CG 3.02Å; I61-M65 PolarHBondContact O-N 2.92Å; T62-M65 PolarHBondContact O-N 3.44Å; T62-M65 VanDerWaalsContact O-N 3.15Å; M65-L68 PolarHBondContact O-N 2.88Å; M65-K69 VanDerWaalsContact O-CG 3.32Å; M65-K69 WeakPolarHBondContact O-CG 3.48Å; M65-K69 PolarHBondContact O-N 3.04Å; M65-L117 HydrophobicContact CB-CD2 4.41Å; M65-L117 HydrophobicContact SD-CD2 3.86Å; M65-Y120 HydrophobicContact CE-CD2 3.92Å; M65-Y120 HydrophobicContact CE-CE2 3.84Å; M65-Y120 HydrophobicContact CE-CG 4.49Å; M65-Y120 HydrophobicContact CG-CD1 4.46Å; M65-Y120 HydrophobicContact CG-CE1 4.03Å; M65-Y120 HydrophobicContact CG-CE2 4.48Å; M65-Y120 HydrophobicContact SD-CD2 4.47Å; M65-Y120 HydrophobicContact SD-CG 4.47Å; M65-I127 HydrophobicContact CE-CG2 3.83Å; M65-F130 HydrophobicContact CE-CD2 3.92Å; M65-F130 HydrophobicContact CE-CE2 4.02Å; M65-F130 HydrophobicContact SD-CD2 3.46Å; M65-F130 WeakPolarHBondContact SD-CD2 3.34Å; M65-F130 HydrophobicContact SD-CE2 3.41Å; M65-F130 WeakPolarHBondContact SD-CE2 3.45Å
66D96Very high93.8Very high87 Ų8777.2 Ų77.247%0.46538%0.381SS..Hα-helixtrans-65.3-43.8179.8-65.3-23.1000111.4T62 Q63 R64 L68 K69 E70T62-D66 WeakPolarHBondContact CG2-OD2 3.42Å; T62-D66 VanDerWaalsContact O-CG 3.23Å; T62-D66 PolarHBondContact O-N 2.89Å; Q63-D66 PolarHBondContact O-N 3.43Å; R64-D66 VanDerWaalsContact C-N 3.34Å; D66-L68 VanDerWaalsContact C-N 3.34Å; D66-L68 PolarHBondContact O-N 3.44Å; D66-K69 PolarHBondContact O-N 3.38Å; D66-E70 PolarHBondContact O-N 3.37Å
67Q96.3Very high92.6Very high100 Ų10071.2 Ų71.247%0.46736%0.364SS..Hα-helixtrans-60-42.7174.9-76.2173.1-23.300112.2Q63 R64 E70 H71Q63-Q67 WeakPolarHBondContact O-CB 3.17Å; Q63-Q67 VanDerWaalsContact O-CG 3.24Å; Q63-Q67 WeakPolarHBondContact O-CG 3.23Å; Q63-Q67 PolarHBondContact O-N 3.11Å; R64-Q67 PolarHBondContact O-N 3.31Å; Q67-E70 PolarHBondContact O-N 3.16Å; Q67-H71 WeakPolarHBondContact O-CB 3.49Å; Q67-H71 PolarHBondContact O-N 3.33Å
68L96.4Very high91.3Very high20 Ų2076.7 Ų76.711%0.10540%0.398CS..Hα-helixtrans-66.6-41177.2-178.161.6000111.7R64 M65 D66 H71 L72 Q113 L117 F130R64-L68 WeakPolarHBondContact O-CB 3.38Å; R64-L68 PolarHBondContact O-N 3.17Å; M65-L68 PolarHBondContact O-N 2.88Å; D66-L68 VanDerWaalsContact C-N 3.34Å; D66-L68 PolarHBondContact O-N 3.44Å; L68-H71 PolarHBondContact O-N 3.1Å; L68-L72 HydrophobicContact CD1-CD1 4.09Å; L68-L72 HydrophobicContact CD1-CG 4.09Å; L68-L72 HydrophobicContact CG-CD1 3.9Å; L68-L72 HydrophobicContact CG-CG 4.34Å; L68-L72 WeakPolarHBondContact O-CB 3.44Å; L68-L72 VanDerWaalsContact O-CG 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.42Å; L68-L72 PolarHBondContact O-N 2.91Å; L68-Q113 HydrophobicContact CD2-CB 4.21Å; L68-Q113 HydrophobicContact CD2-CG 4.24Å; L68-L117 HydrophobicContact CD2-CD1 3.91Å; L68-L117 HydrophobicContact CD2-CG 4.29Å; L68-L117 HydrophobicContact CG-CD1 3.95Å; L68-F130 HydrophobicContact CD2-CB 4.03Å; L68-F130 HydrophobicContact CD2-CD1 3.77Å; L68-F130 HydrophobicContact CD2-CD2 3.38Å; L68-F130 HydrophobicContact CD2-CE1 4.01Å; L68-F130 HydrophobicContact CD2-CE2 3.65Å; L68-F130 HydrophobicContact CD2-CG 3.44Å; L68-F130 VanDerWaalsContact CD2-CG 3.44Å; L68-F130 HydrophobicContact CD2-CZ 3.95Å
69K95.5Very high90.2Very high66 Ų6672.2 Ų72.229%0.28738%0.384SS..Hα-helixtrans-60.6-46.3175.3-74.3175.2-173.7-169.20111.8M65 D66 L72 S73 L117 D121M65-K69 VanDerWaalsContact O-CG 3.32Å; M65-K69 WeakPolarHBondContact O-CG 3.48Å; M65-K69 PolarHBondContact O-N 3.04Å; D66-K69 PolarHBondContact O-N 3.38Å; K69-L72 PolarHBondContact O-N 3.29Å; K69-S73 WeakPolarHBondContact O-CB 2.98Å; K69-S73 PolarHBondContact O-N 3.35Å; K69-S73 PolarHBondContact O-OG 3.3Å; K69-L117 HydrophobicContact CG-CD1 3.81Å; K69-L117 HydrophobicContact CG-CD2 4.09Å; K69-D121 WeakPolarHBondContact CE-OD2 3.4Å; K69-D121 IonicContact NZ-OD1 3.99Å; K69-D121 PolarHBondContact NZ-OD1 3.27Å; K69-D121 IonicContact NZ-OD2 3.79Å; K69-D121 PolarHBondContact NZ-OD2 2.97Å
70E95.8Very high89.3Confident140 Ų14074.4 Ų74.465%0.65440%0.4SS*.Hα-helixtrans-59.6-49.1176.4-174.9176.8-176.300110.4D66 Q67 L72 S73 S74D66-E70 PolarHBondContact O-N 3.37Å; Q67-E70 PolarHBondContact O-N 3.16Å; E70-L72 PolarHBondContact O-N 2.89Å; E70-S73 PolarHBondContact O-N 3.32Å; E70-S73 PolarHBondContact O-OG 3.14Å; E70-S74 PolarHBondContact O-N 3.24Å; E70-S74 PolarHBondContact O-OG 3.24Å
71H94.5Very high88.6Confident72 Ų7274.5 Ų74.533%0.33340%0.396SS..Hα-helixtrans-55.7-55177.4-178.961.3000111.8Q67 L68 S73 S74 T75 E135Q67-H71 WeakPolarHBondContact O-CB 3.49Å; Q67-H71 PolarHBondContact O-N 3.33Å; L68-H71 PolarHBondContact O-N 3.1Å; H71-S73 VanDerWaalsContact C-N 3.27Å; H71-S73 PolarHBondContact O-N 2.77Å; H71-S74 PolarHBondContact O-N 3.03Å; H71-S74 PolarHBondContact O-OG 2.89Å; H71-T75 PolarHBondContact CE1-OG1 3.33Å; H71-T75 PolarHBondContact O-N 2.77Å; H71-T75 PolarHBondContact O-OG1 3.26Å; H71-E135 IonicContact NE2-OE1 3.38Å
72L93.2Very high88.3Confident23 Ų2379 Ų7912%0.1242%0.421CS..Hα-helixtrans-61.1-34179.7-68.5170.2000112.9L68 K69 E70 S74 H110 Q113 M114 L117L68-L72 HydrophobicContact CD1-CD1 4.09Å; L68-L72 HydrophobicContact CD1-CG 4.09Å; L68-L72 HydrophobicContact CG-CD1 3.9Å; L68-L72 HydrophobicContact CG-CG 4.34Å; L68-L72 WeakPolarHBondContact O-CB 3.44Å; L68-L72 VanDerWaalsContact O-CG 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.42Å; L68-L72 PolarHBondContact O-N 2.91Å; K69-L72 PolarHBondContact O-N 3.29Å; E70-L72 PolarHBondContact O-N 2.89Å; L72-S74 VanDerWaalsContact C-N 3.34Å; L72-H110 HydrophobicContact CD2-CB 3.69Å; L72-H110 VanDerWaalsContact CD2-CD2 3.5Å; L72-H110 WeakPolarHBondContact CD2-CD2 3.45Å; L72-Q113 HydrophobicContact CD1-CB 3.98Å; L72-M114 HydrophobicContact CD1-CG 3.93Å; L72-M114 HydrophobicContact CD2-CG 4.42Å; L72-L117 HydrophobicContact CD1-CD1 3.58Å
73S90.6Very high88.1Confident100 Ų10077 Ų7770%0.69941%0.407SS*.Hα-helixtrans-70.9-29.4175.874.50000113.4K69 E70 H71K69-S73 WeakPolarHBondContact O-CB 2.98Å; K69-S73 PolarHBondContact O-N 3.35Å; K69-S73 PolarHBondContact O-OG 3.3Å; E70-S73 PolarHBondContact O-N 3.32Å; E70-S73 PolarHBondContact O-OG 3.14Å; H71-S73 VanDerWaalsContact C-N 3.27Å; H71-S73 PolarHBondContact O-N 2.77Å
74S89.1Confident87.8Confident84 Ų8474 Ų7459%0.58740%0.395SS*.Hα-helixtrans-84.4-27179.574.20000112.8E70 H71 L72 K76E70-S74 PolarHBondContact O-N 3.24Å; E70-S74 PolarHBondContact O-OG 3.24Å; H71-S74 PolarHBondContact O-N 3.03Å; H71-S74 PolarHBondContact O-OG 2.89Å; L72-S74 VanDerWaalsContact C-N 3.34Å; S74-K76 PolarHBondContact O-N 3.12Å
75T84.5Confident87.8Confident48 Ų4874.4 Ų74.429%0.29440%0.403SS..  trans-81.6113.1-178.4-57.30000110.2H71H71-T75 PolarHBondContact CE1-OG1 3.33Å; H71-T75 PolarHBondContact O-N 2.77Å; H71-T75 PolarHBondContact O-OG1 3.26Å
76K73.4Confident87.7Confident190 Ų19074.4 Ų74.483%0.82640%0.403SS*.  trans-77.5124.4168-69.2-175.7178.8-179.10108.4S74 T78S74-K76 PolarHBondContact O-N 3.12Å; K76-T78 PolarHBondContact O-N 2.94Å
77S72Confident87.8Confident37 Ų3770.3 Ų70.326%0.25938%0.382SS..  trans-54.9136168.3179.50000108.9S79 D107S77-S79 PolarHBondContact O-N 2.84Å; S77-S79 PolarHBondContact OG-N 3.18Å; S77-S79 VanDerWaalsContact OG-N 3.17Å; S77-S79 PolarHBondContact OG-O 3.35Å; S77-S79 PolarHBondContact OG-OG 3.33Å; S77-D107 PolarHBondContact OG-OD1 2.83Å
78T71.2Confident87.8Confident123 Ų12369.6 Ų69.676%0.75538%0.381SS*.SBendtrans-73.8-17.3175.260.40000111.6K76K76-T78 PolarHBondContact O-N 2.94Å
79S73.7Confident87.8Confident19 Ų1970 Ų7013%0.13338%0.383CS..SBendtrans-99.2143.4178.6730000111.4S77 I81S77-S79 PolarHBondContact O-N 2.84Å; S77-S79 PolarHBondContact OG-N 3.18Å; S77-S79 VanDerWaalsContact OG-N 3.17Å; S77-S79 PolarHBondContact OG-O 3.35Å; S77-S79 PolarHBondContact OG-OG 3.33Å; S79-I81 PolarHBondContact O-N 3.01Å
80N78.5Confident87.8Confident182 Ų18269.2 Ų69.297%0.97338%0.382SS*.SBendtrans-78.846.4172.3-81.4-19.1000111.5
81I82.7Confident87.7Confident53 Ų5362.7 Ų62.727%0.27235%0.351SS..SBendtrans-113.6141.3-174.7-64.5179.7000110.1S79 L83 V86 K102 F103S79-I81 PolarHBondContact O-N 3.01Å; I81-L83 PolarHBondContact O-N 2.9Å; I81-L83 VanDerWaalsContact O-N 3.13Å; I81-V86 HydrophobicContact CG2-CG2 3.87Å; I81-K102 HydrophobicContact CD1-CB 4.27Å; I81-K102 WeakPolarHBondContact CD1-O 3.44Å; I81-F103 HydrophobicContact CD1-CB 4.12Å; I81-F103 HydrophobicContact CD1-CD1 4.01Å
82D89Confident87.8Confident103 Ų10361.3 Ų61.355%0.55135%0.346SS*.  trans-70.3101.6163.4173.915.8000109.4L84 S85D82-L84 PolarHBondContact O-N 2.9Å; D82-L84 PolarHBondContact OD1-N 3.42Å; D82-L84 VanDerWaalsContact OD1-N 3.16Å; D82-S85 WeakPolarHBondContact O-CB 3.49Å; D82-S85 PolarHBondContact O-N 3.34Å; D82-S85 VanDerWaalsContact O-N 3.16Å; D82-S85 PolarHBondContact O-OG 2.88Å
83L89.6Confident87.9Confident22 Ų2261.7 Ų61.712%0.11535%0.35CS..Hα-helixtrans-55.9-35.7-177.3-66.7174.3000112.5I81 S85 V86 D107 H110 A111 M114I81-L83 PolarHBondContact O-N 2.9Å; I81-L83 VanDerWaalsContact O-N 3.13Å; L83-S85 VanDerWaalsContact C-N 3.33Å; L83-S85 PolarHBondContact O-N 3.4Å; L83-V86 VanDerWaalsContact O-CB 3.29Å; L83-V86 WeakPolarHBondContact O-CB 3.48Å; L83-V86 PolarHBondContact O-N 3.22Å; L83-V86 VanDerWaalsContact O-N 3.17Å; L83-D107 HydrophobicContact CD2-CB 3.86Å; L83-D107 WeakPolarHBondContact CD2-O 3.5Å; L83-H110 HydrophobicContact CD1-CB 4.26Å; L83-A111 HydrophobicContact CB-CB 3.98Å; L83-A111 HydrophobicContact CD2-CB 4.49Å; L83-A111 WeakPolarHBondContact O-CB 3.26Å; L83-M114 HydrophobicContact CB-SD 4.19Å; L83-M114 HydrophobicContact CD1-SD 3.67Å
84L91.9Very high88.2Confident45 Ų4556.9 Ų56.924%0.23632%0.317CS..Hα-helixtrans-67.8-36.3-177.8-70.8171.9000111.8D82 V86 T87 M114 K115 Q118D82-L84 PolarHBondContact O-N 2.9Å; D82-L84 PolarHBondContact OD1-N 3.42Å; D82-L84 VanDerWaalsContact OD1-N 3.16Å; L84-V86 PolarHBondContact O-N 2.87Å; L84-T87 PolarHBondContact O-N 2.91Å; L84-T87 PolarHBondContact O-OG1 2.96Å; L84-M114 HydrophobicContact CD2-CB 4.13Å; L84-K115 HydrophobicContact CD2-CB 4.28Å; L84-Q118 VanDerWaalsContact CD1-NE2 3.28Å
85S94Very high88.6Confident47 Ų4753.9 Ų53.933%0.32929%0.293SS..Hα-helixtrans-60.9-23.517677.10000113.3D82 L83 T87 D88D82-S85 WeakPolarHBondContact O-CB 3.49Å; D82-S85 PolarHBondContact O-N 3.34Å; D82-S85 VanDerWaalsContact O-N 3.16Å; D82-S85 PolarHBondContact O-OG 2.88Å; L83-S85 VanDerWaalsContact C-N 3.33Å; L83-S85 PolarHBondContact O-N 3.4Å; S85-T87 VanDerWaalsContact C-N 3.27Å; S85-T87 PolarHBondContact O-N 3.2Å; S85-D88 PolarHBondContact O-N 3.17Å
86V94.7Very high89.1Confident1 Ų157 Ų571%0.00631%0.305CS..Hα-helixtrans-65.9-32.2176.6-178.40000111.2I81 L83 L84 D88 L89 F103 L108 A111I81-V86 HydrophobicContact CG2-CG2 3.87Å; L83-V86 VanDerWaalsContact O-CB 3.29Å; L83-V86 WeakPolarHBondContact O-CB 3.48Å; L83-V86 PolarHBondContact O-N 3.22Å; L83-V86 VanDerWaalsContact O-N 3.17Å; L84-V86 PolarHBondContact O-N 2.87Å; V86-D88 PolarHBondContact O-N 2.62Å; V86-L89 HydrophobicContact CG1-CD1 4.23Å; V86-L89 WeakPolarHBondContact O-CB 3.41Å; V86-L89 WeakPolarHBondContact O-CG 3.46Å; V86-L89 PolarHBondContact O-N 2.9Å; V86-L89 VanDerWaalsContact O-N 3.14Å; V86-F103 HydrophobicContact CG1-CE1 4.05Å; V86-F103 HydrophobicContact CG1-CE2 4.35Å; V86-F103 HydrophobicContact CG1-CZ 3.89Å; V86-F103 HydrophobicContact CG2-CD1 4.4Å; V86-F103 HydrophobicContact CG2-CE1 4.36Å; V86-L108 HydrophobicContact CG1-CD1 3.48Å; V86-L108 VanDerWaalsContact CG1-CD1 3.48Å; V86-A111 HydrophobicContact CB-CB 4.24Å
87T96.5Very high90.2Very high2 Ų252.2 Ų52.21%0.01228%0.281CS..THydrogen-bonded Turntrans-68.9-21-176.968.40000113.6L84 S85 L89 A111 Y112 K115 R306L84-T87 PolarHBondContact O-N 2.91Å; L84-T87 PolarHBondContact O-OG1 2.96Å; S85-T87 VanDerWaalsContact C-N 3.27Å; S85-T87 PolarHBondContact O-N 3.2Å; T87-L89 VanDerWaalsContact C-N 3.35Å; T87-A111 HydrophobicContact CG2-CB 4.2Å; T87-Y112 HydrophobicContact CG2-CD1 3.86Å; T87-Y112 HydrophobicContact CG2-CE1 3.88Å; T87-Y112 HydrophobicContact CG2-CG 4.36Å; T87-K115 HydrophobicContact CG2-CB 3.88Å; T87-K115 HydrophobicContact CG2-CG 4.31Å; T87-R306 PolarHBondContact O-NH2 3.36Å
88D96.3Very high91.3Very high84 Ų8450.7 Ų50.745%0.44927%0.27SS..THydrogen-bonded Turntrans-79.3-16.8176.2-66.3-37.5000113.4S85 V86 R248S85-D88 PolarHBondContact O-N 3.17Å; V86-D88 PolarHBondContact O-N 2.62Å; D88-R248 VanDerWaalsContact CG-NH1 3.31Å; D88-R248 WeakPolarHBondContact OD1-CD 3.46Å; D88-R248 IonicContact OD1-CZ 3.67Å; D88-R248 IonicContact OD1-NE 3.33Å; D88-R248 IonicContact OD1-NH1 3.66Å; D88-R248 PolarHBondContact OD1-NH1 2.59Å
89L96.3Very high92.5Very high29 Ų2948.6 Ų48.615%0.15226%0.257CS..SBendtrans-69.2153.2179.2-56.2176.8000111.2V86 T87 T93 I94 R306V86-L89 HydrophobicContact CG1-CD1 4.23Å; V86-L89 WeakPolarHBondContact O-CB 3.41Å; V86-L89 WeakPolarHBondContact O-CG 3.46Å; V86-L89 PolarHBondContact O-N 2.9Å; V86-L89 VanDerWaalsContact O-N 3.14Å; T87-L89 VanDerWaalsContact C-N 3.35Å; L89-T93 HydrophobicContact CD1-CG2 4.3Å; L89-T93 HydrophobicContact CD2-CG2 4.17Å; L89-I94 HydrophobicContact CB-CD1 4.27Å; L89-I94 HydrophobicContact CB-CG1 3.77Å; L89-I94 HydrophobicContact CD1-CG1 4.34Å; L89-R306 PolarHBondContact O-NH2 2.88Å
90N95.6Very high93.5Very high50 Ų5053.5 Ų53.527%0.26728%0.278SS..  trans-79.1162.3166.269.160.4000110.5D92 T93 I94 R307N90-D92 VanDerWaalsContact C-N 3.35Å; N90-D92 PolarHBondContact O-N 2.8Å; N90-D92 WeakPolarHBondContact OD1-CB 3.28Å; N90-D92 PolarHBondContact OD1-N 2.79Å; N90-T93 PolarHBondContact ND2-OG1 3.22Å; N90-T93 PolarHBondContact O-N 3.5Å; N90-T93 PolarHBondContact OD1-N 3.14Å; N90-T93 PolarHBondContact OD1-OG1 3.46Å; N90-T93 VanDerWaalsContact OD1-OG1 3.12Å; N90-I94 WeakPolarHBondContact O-CG1 3.18Å; N90-I94 PolarHBondContact O-N 2.77Å; N90-R307 PolarHBondContact ND2-NH1 3.39Å
91L95.6Very high94.2Very high2 Ų247.7 Ų47.71%0.0126%0.261CS..Hα-helixtrans-66.5-31.9-173.1-175.754.8000113.9I94 Q95 L154 I157 P251 V252 D310 K313L91-I94 PolarHBondContact O-N 2.65Å; L91-Q95 HydrophobicContact CD1-CG 4.42Å; L91-Q95 VanDerWaalsContact O-CG 3.24Å; L91-Q95 WeakPolarHBondContact O-CG 3.42Å; L91-Q95 PolarHBondContact O-N 2.89Å; L91-L154 HydrophobicContact CD1-CD2 4.44Å; L91-L154 HydrophobicContact CD2-CD2 3.74Å; L91-I157 HydrophobicContact CD1-CD1 3.93Å; L91-I157 HydrophobicContact CD1-CG1 4.08Å; L91-I157 HydrophobicContact CD1-CG2 3.76Å; L91-P251 HydrophobicContact CD1-CB 4.43Å; L91-V252 HydrophobicContact CD2-CG1 3.93Å; L91-D310 VanDerWaalsContact CB-OD1 3.27Å; L91-D310 WeakPolarHBondContact CB-OD1 3.32Å; L91-D310 HydrophobicContact CD2-CB 4.16Å; L91-K313 HydrophobicContact CD2-CB 4.46Å; L91-K313 HydrophobicContact CD2-CD 3.54Å; L91-K313 HydrophobicContact CG-CD 3.91Å
92D95.3Very high94.8Very high43 Ų4350.5 Ų50.523%0.2327%0.271CS..Hα-helixtrans-61.9-49.2174.4-64.9-58.2000110.7N90 I94 Q95 E96 R307 K313N90-D92 VanDerWaalsContact C-N 3.35Å; N90-D92 PolarHBondContact O-N 2.8Å; N90-D92 WeakPolarHBondContact OD1-CB 3.28Å; N90-D92 PolarHBondContact OD1-N 2.79Å; D92-I94 VanDerWaalsContact C-N 3.28Å; D92-I94 PolarHBondContact O-N 3.17Å; D92-Q95 WeakPolarHBondContact O-CB 3.22Å; D92-Q95 PolarHBondContact O-N 3.02Å; D92-Q95 VanDerWaalsContact O-N 3.12Å; D92-E96 WeakPolarHBondContact O-CG 3.3Å; D92-E96 PolarHBondContact O-N 3.33Å; D92-R307 IonicContact OD2-NH1 3.63Å; D92-K313 WeakPolarHBondContact OD1-CE 3.19Å; D92-K313 IonicContact OD1-NZ 3.39Å; D92-K313 PolarHBondContact OD1-NZ 3.37Å; D92-K313 IonicContact OD2-NZ 2.89Å; D92-K313 PolarHBondContact OD2-NZ 3.4Å
93T96.4Very high95Very high31 Ų3145.9 Ų45.919%0.1925%0.246CC..Hα-helixtrans-63.7-34.4177.5-56.10000112L89 N90 R97L89-T93 HydrophobicContact CD1-CG2 4.3Å; L89-T93 HydrophobicContact CD2-CG2 4.17Å; N90-T93 PolarHBondContact ND2-OG1 3.22Å; N90-T93 PolarHBondContact O-N 3.5Å; N90-T93 PolarHBondContact OD1-N 3.14Å; N90-T93 PolarHBondContact OD1-OG1 3.46Å; N90-T93 VanDerWaalsContact OD1-OG1 3.12Å; T93-R97 HydrophobicContact CG2-CG 4.42Å; T93-R97 WeakPolarHBondContact O-CB 3.31Å; T93-R97 VanDerWaalsContact O-CG 3.24Å; T93-R97 WeakPolarHBondContact O-CG 3.44Å; T93-R97 PolarHBondContact O-N 3.4Å
94I96.9Very high95.3Very high0 Ų047.2 Ų47.20%026%0.255CS..Hα-helixtrans-63.3-45.8173.5-69.8168.7000110.5L89 N90 L91 D92 R97 L98 F103 L108 Y112 I157L89-I94 HydrophobicContact CB-CD1 4.27Å; L89-I94 HydrophobicContact CB-CG1 3.77Å; L89-I94 HydrophobicContact CD1-CG1 4.34Å; N90-I94 WeakPolarHBondContact O-CG1 3.18Å; N90-I94 PolarHBondContact O-N 2.77Å; L91-I94 PolarHBondContact O-N 2.65Å; D92-I94 VanDerWaalsContact C-N 3.28Å; D92-I94 PolarHBondContact O-N 3.17Å; I94-R97 PolarHBondContact O-N 3.02Å; I94-L98 HydrophobicContact CG2-CD1 4.29Å; I94-L98 WeakPolarHBondContact O-CG 3.32Å; I94-L98 PolarHBondContact O-N 2.86Å; I94-F103 HydrophobicContact CG2-CE2 4.26Å; I94-F103 HydrophobicContact CG2-CZ 4.21Å; I94-L108 HydrophobicContact CG2-CD1 3.84Å; I94-L108 HydrophobicContact CG2-CD2 3.47Å; I94-L108 VanDerWaalsContact CG2-CD2 3.47Å; I94-L108 HydrophobicContact CG2-CG 4.33Å; I94-Y112 HydrophobicContact CD1-CE2 4.4Å; I94-Y112 VanDerWaalsContact CD1-OH 3.25Å; I94-Y112 WeakPolarHBondContact CD1-OH 3.35Å; I94-I157 HydrophobicContact CG2-CD1 3.62Å
95Q96.4Very high95.5Very high21 Ų2145.5 Ų45.510%0.09825%0.247CC..Hα-helixtrans-62.9-46.8179.1-71.5163.1-13.500111.9L91 D92 R97 L98 V99 P148 T153 I157L91-Q95 HydrophobicContact CD1-CG 4.42Å; L91-Q95 VanDerWaalsContact O-CG 3.24Å; L91-Q95 WeakPolarHBondContact O-CG 3.42Å; L91-Q95 PolarHBondContact O-N 2.89Å; D92-Q95 WeakPolarHBondContact O-CB 3.22Å; D92-Q95 PolarHBondContact O-N 3.02Å; D92-Q95 VanDerWaalsContact O-N 3.12Å; Q95-R97 VanDerWaalsContact C-N 3.33Å; Q95-R97 PolarHBondContact O-N 3.34Å; Q95-L98 PolarHBondContact O-N 3.4Å; Q95-V99 WeakPolarHBondContact O-CG2 3.46Å; Q95-V99 PolarHBondContact O-N 2.88Å; Q95-P148 HydrophobicContact CB-CB 4.17Å; Q95-P148 HydrophobicContact CB-CG 4.37Å; Q95-P148 HydrophobicContact CG-CB 4.13Å; Q95-P148 HydrophobicContact CG-CG 4.28Å; Q95-T153 PolarHBondContact NE2-O 3.1Å; Q95-I157 HydrophobicContact CG-CD1 4.39Å
96E96.1Very high95.6Very high114 Ų11444.3 Ų44.353%0.53324%0.238SC..Hα-helixtrans-56.2-48.4176.1-71.6168176.500111D92 L98 V99 E100D92-E96 WeakPolarHBondContact O-CG 3.3Å; D92-E96 PolarHBondContact O-N 3.33Å; E96-L98 PolarHBondContact O-N 2.89Å; E96-V99 PolarHBondContact O-N 3.08Å; E96-E100 WeakPolarHBondContact O-CB 3.34Å; E96-E100 WeakPolarHBondContact O-CG 3.37Å; E96-E100 PolarHBondContact O-N 2.77Å
97R95.5Very high95.6Very high88 Ų8844.5 Ų44.533%0.33224%0.238SC..Hα-helixtrans-69-31.1-178.5-72.1-177-170.9-165.66.9113.9T93 I94 Q95 G101 K102 F103T93-R97 HydrophobicContact CG2-CG 4.42Å; T93-R97 WeakPolarHBondContact O-CB 3.31Å; T93-R97 VanDerWaalsContact O-CG 3.24Å; T93-R97 WeakPolarHBondContact O-CG 3.44Å; T93-R97 PolarHBondContact O-N 3.4Å; I94-R97 PolarHBondContact O-N 3.02Å; Q95-R97 VanDerWaalsContact C-N 3.33Å; Q95-R97 PolarHBondContact O-N 3.34Å; R97-G101 PolarHBondContact O-N 2.97Å; R97-K102 HydrophobicContact CB-CB 4.09Å; R97-K102 HydrophobicContact CB-CG 4.21Å; R97-K102 HydrophobicContact CG-CG 4.27Å; R97-K102 WeakPolarHBondContact O-CB 3.42Å; R97-K102 PolarHBondContact O-N 3.37Å; R97-F103 HydrophobicContact CB-CD1 4.18Å; R97-F103 HydrophobicContact CB-CE1 3.4Å; R97-F103 VanDerWaalsContact CB-CE1 3.4Å; R97-F103 HydrophobicContact CB-CZ 3.67Å; R97-F103 HydrophobicContact CG-CE1 4.24Å
98L95.4Very high95.6Very high5 Ų544.4 Ų44.43%0.02624%0.238CC..Hα-helixtrans-63.9-47169.4-78.9171.6000110.8I94 Q95 E96 E100 G101 F103 L108 L147 P148 I157I94-L98 HydrophobicContact CG2-CD1 4.29Å; I94-L98 WeakPolarHBondContact O-CG 3.32Å; I94-L98 PolarHBondContact O-N 2.86Å; Q95-L98 PolarHBondContact O-N 3.4Å; E96-L98 PolarHBondContact O-N 2.89Å; L98-E100 VanDerWaalsContact C-N 3.31Å; L98-E100 PolarHBondContact O-N 3.35Å; L98-G101 PolarHBondContact O-N 3.31Å; L98-F103 HydrophobicContact CD2-CD2 3.61Å; L98-F103 HydrophobicContact CD2-CE2 3.62Å; L98-F103 HydrophobicContact CG-CD2 4.13Å; L98-F103 HydrophobicContact CG-CE2 3.63Å; L98-F103 HydrophobicContact CG-CZ 4.5Å; L98-L108 HydrophobicContact CD1-CD2 3.92Å; L98-L108 HydrophobicContact CG-CD2 4.49Å; L98-L147 WeakPolarHBondContact O-CD2 3.22Å; L98-P148 HydrophobicContact CB-CG 4.18Å; L98-P148 HydrophobicContact CD1-CG 3.87Å; L98-I157 HydrophobicContact CD1-CD1 3.55Å
99V96.2Very high95.7Very high80 Ų8040.4 Ų40.449%0.48522%0.217SC..Hα-helixtrans-64-38179.9172.30000111.6Q95 E96 G101 L147 P148Q95-V99 WeakPolarHBondContact O-CG2 3.46Å; Q95-V99 PolarHBondContact O-N 2.88Å; E96-V99 PolarHBondContact O-N 3.08Å; V99-G101 PolarHBondContact O-N 2.87Å; V99-L147 HydrophobicContact CG2-CB 4.4Å; V99-P148 HydrophobicContact CG2-CB 4.3Å; V99-P148 WeakPolarHBondContact CG2-O 3.35Å
100E95.4Very high95.8Very high122 Ų12239.3 Ų39.357%0.5721%0.211SC*.THydrogen-bonded Turntrans-72.2-5.9174.4-72178.4-175.400114.1E96 L98 K102E96-E100 WeakPolarHBondContact O-CB 3.34Å; E96-E100 WeakPolarHBondContact O-CG 3.37Å; E96-E100 PolarHBondContact O-N 2.77Å; L98-E100 VanDerWaalsContact C-N 3.31Å; L98-E100 PolarHBondContact O-N 3.35Å; E100-K102 VanDerWaalsContact C-N 3.26Å; E100-K102 HydrophobicContact CB-CG 3.97Å; E100-K102 PolarHBondContact O-N 2.67Å; E100-K102 WeakPolarHBondContact OE2-CE 3.06Å
101G93.2Very high95.8Very high59 Ų5936.9 Ų36.961%0.60820%0.198SC*.THydrogen-bonded Turntrans6626.1-176.800000113.6R97 L98 V99 F103R97-G101 PolarHBondContact O-N 2.97Å; L98-G101 PolarHBondContact O-N 3.31Å; V99-G101 PolarHBondContact O-N 2.87Å; G101-F103 VanDerWaalsContact C-N 3.31Å
102K94Very high95.9Very high113 Ų11336.8 Ų36.849%0.49120%0.197SC..SBendtrans-66.5-37.9175.5-60.7-59.8-179.8-173.20111I81 R97 E100I81-K102 HydrophobicContact CD1-CB 4.27Å; I81-K102 WeakPolarHBondContact CD1-O 3.44Å; R97-K102 HydrophobicContact CB-CB 4.09Å; R97-K102 HydrophobicContact CB-CG 4.21Å; R97-K102 HydrophobicContact CG-CG 4.27Å; R97-K102 WeakPolarHBondContact O-CB 3.42Å; R97-K102 PolarHBondContact O-N 3.37Å; E100-K102 VanDerWaalsContact C-N 3.26Å; E100-K102 HydrophobicContact CB-CG 3.97Å; E100-K102 PolarHBondContact O-N 2.67Å; E100-K102 WeakPolarHBondContact OE2-CE 3.06Å
103F94Very high96.1Very high6 Ų635 Ų353%0.02619%0.187CC..SBendtrans-146.2163.7171.551.4-101.9000109.2I81 V86 I94 R97 L98 G101 D107 L108I81-F103 HydrophobicContact CD1-CB 4.12Å; I81-F103 HydrophobicContact CD1-CD1 4.01Å; V86-F103 HydrophobicContact CG1-CE1 4.05Å; V86-F103 HydrophobicContact CG1-CE2 4.35Å; V86-F103 HydrophobicContact CG1-CZ 3.89Å; V86-F103 HydrophobicContact CG2-CD1 4.4Å; V86-F103 HydrophobicContact CG2-CE1 4.36Å; I94-F103 HydrophobicContact CG2-CE2 4.26Å; I94-F103 HydrophobicContact CG2-CZ 4.21Å; R97-F103 HydrophobicContact CB-CD1 4.18Å; R97-F103 HydrophobicContact CB-CE1 3.4Å; R97-F103 VanDerWaalsContact CB-CE1 3.4Å; R97-F103 HydrophobicContact CB-CZ 3.67Å; R97-F103 HydrophobicContact CG-CE1 4.24Å; L98-F103 HydrophobicContact CD2-CD2 3.61Å; L98-F103 HydrophobicContact CD2-CE2 3.62Å; L98-F103 HydrophobicContact CG-CD2 4.13Å; L98-F103 HydrophobicContact CG-CE2 3.63Å; L98-F103 HydrophobicContact CG-CZ 4.5Å; G101-F103 VanDerWaalsContact C-N 3.31Å; F103-D107 HydrophobicContact CB-CB 3.88Å; F103-L108 HydrophobicContact CD2-CB 4.16Å; F103-L108 HydrophobicContact CE2-CB 4.11Å; F103-L108 HydrophobicContact CE2-CD1 3.96Å; F103-L108 HydrophobicContact CE2-CD2 4.34Å; F103-L108 HydrophobicContact CE2-CG 4.37Å; F103-L108 HydrophobicContact CZ-CD1 4.45Å
104T95.1Very high96Very high49 Ų4936.4 Ų36.430%0.30119%0.193SC..  trans-94.5171.2178.565.70000112.1V106 D107 L108T104-V106 PolarHBondContact O-N 3.43Å; T104-V106 PolarHBondContact OG1-N 3.43Å; T104-D107 WeakPolarHBondContact CB-OD2 3.47Å; T104-D107 PolarHBondContact N-OD2 3.12Å; T104-D107 PolarHBondContact O-N 2.9Å; T104-D107 VanDerWaalsContact OG1-CG 3.31Å; T104-D107 PolarHBondContact OG1-N 2.92Å; T104-D107 VanDerWaalsContact OG1-N 3.13Å; T104-D107 PolarHBondContact OG1-OD2 3.45Å; T104-L108 PolarHBondContact O-N 3.34Å
105S96.3Very high96Very high9 Ų938.7 Ų38.76%0.06320%0.203CC..Hα-helixtrans-58.5-32.3168.441.60000112.6L109 A138S105-L109 WeakPolarHBondContact O-CB 3.18Å; S105-L109 PolarHBondContact O-N 3.27Å; S105-A138 PolarHBondContact OG-O 3.29Å
106V96.3Very high96.1Very high23 Ų2337.7 Ų37.714%0.13920%0.198CC..Hα-helixtrans-68.4-49.4176.6178.70000110.4T104 L108 L109 H110 A138 V139 A142T104-V106 PolarHBondContact O-N 3.43Å; T104-V106 PolarHBondContact OG1-N 3.43Å; V106-L108 VanDerWaalsContact C-N 3.28Å; V106-L108 PolarHBondContact O-N 3.5Å; V106-L109 PolarHBondContact O-N 3.18Å; V106-H110 WeakPolarHBondContact CG1-CE1 3.35Å; V106-H110 PolarHBondContact O-N 2.95Å; V106-A138 HydrophobicContact CG2-CB 3.95Å; V106-V139 HydrophobicContact CG2-CB 4.41Å; V106-V139 HydrophobicContact CG2-CG2 3.75Å; V106-A142 HydrophobicContact CG2-CB 4.38Å
107D95.7Very high96.1Very high4 Ų432.7 Ų32.72%0.02118%0.175CC..Hα-helixtrans-58.5-41.7175.9-62-59.9000111.3S77 L83 F103 T104 H110 A111S77-D107 PolarHBondContact OG-OD1 2.83Å; L83-D107 HydrophobicContact CD2-CB 3.86Å; L83-D107 WeakPolarHBondContact CD2-O 3.5Å; F103-D107 HydrophobicContact CB-CB 3.88Å; T104-D107 WeakPolarHBondContact CB-OD2 3.47Å; T104-D107 PolarHBondContact N-OD2 3.12Å; T104-D107 PolarHBondContact O-N 2.9Å; T104-D107 VanDerWaalsContact OG1-CG 3.31Å; T104-D107 PolarHBondContact OG1-N 2.92Å; T104-D107 VanDerWaalsContact OG1-N 3.13Å; T104-D107 PolarHBondContact OG1-OD2 3.45Å; D107-H110 PolarHBondContact O-N 3.15Å; D107-A111 WeakPolarHBondContact O-CB 3.39Å; D107-A111 PolarHBondContact O-N 3.35Å
108L97Very high96.1Very high1 Ų132.9 Ų32.91%0.00518%0.179CC..Hα-helixtrans-65.4-41.5177.6-174.963.5000112.3V86 I94 L98 F103 T104 V106 A111 Y112 I157 P158V86-L108 HydrophobicContact CG1-CD1 3.48Å; V86-L108 VanDerWaalsContact CG1-CD1 3.48Å; I94-L108 HydrophobicContact CG2-CD1 3.84Å; I94-L108 HydrophobicContact CG2-CD2 3.47Å; I94-L108 VanDerWaalsContact CG2-CD2 3.47Å; I94-L108 HydrophobicContact CG2-CG 4.33Å; L98-L108 HydrophobicContact CD1-CD2 3.92Å; L98-L108 HydrophobicContact CG-CD2 4.49Å; F103-L108 HydrophobicContact CD2-CB 4.16Å; F103-L108 HydrophobicContact CE2-CB 4.11Å; F103-L108 HydrophobicContact CE2-CD1 3.96Å; F103-L108 HydrophobicContact CE2-CD2 4.34Å; F103-L108 HydrophobicContact CE2-CG 4.37Å; F103-L108 HydrophobicContact CZ-CD1 4.45Å; T104-L108 PolarHBondContact O-N 3.34Å; V106-L108 VanDerWaalsContact C-N 3.28Å; V106-L108 PolarHBondContact O-N 3.5Å; L108-A111 WeakPolarHBondContact O-CB 3.43Å; L108-A111 PolarHBondContact O-N 3.46Å; L108-Y112 HydrophobicContact CD1-CD2 4.01Å; L108-Y112 HydrophobicContact CD1-CE2 3.64Å; L108-Y112 HydrophobicContact CG-CD2 4.23Å; L108-Y112 HydrophobicContact CG-CE2 4.18Å; L108-Y112 WeakPolarHBondContact O-CD2 3.49Å; L108-Y112 PolarHBondContact O-N 2.96Å; L108-I157 HydrophobicContact CD2-CD1 3.7Å; L108-P158 HydrophobicContact CG-CG 4.23Å
109L98Very high96.1Very high0 Ų033.5 Ų33.50%018%0.182CC..Hα-helixtrans-60.6-48.9174.2173.562.9000110.7S105 V106 A111 Y112 Q113 A134 E135 A138 P158 I200 F202S105-L109 WeakPolarHBondContact O-CB 3.18Å; S105-L109 PolarHBondContact O-N 3.27Å; V106-L109 PolarHBondContact O-N 3.18Å; L109-A111 VanDerWaalsContact C-N 3.33Å; L109-A111 PolarHBondContact O-N 3.48Å; L109-Y112 PolarHBondContact O-N 2.91Å; L109-Q113 HydrophobicContact CD1-CG 3.98Å; L109-Q113 HydrophobicContact CG-CG 4.3Å; L109-Q113 WeakPolarHBondContact O-CB 3.35Å; L109-Q113 WeakPolarHBondContact O-CG 3.42Å; L109-Q113 PolarHBondContact O-N 3.2Å; L109-A134 HydrophobicContact CD1-CB 4.12Å; L109-A134 HydrophobicContact CD2-CB 4.04Å; L109-A134 WeakPolarHBondContact CD2-O 3.33Å; L109-E135 HydrophobicContact CD2-CB 4.44Å; L109-E135 WeakPolarHBondContact CD2-OE2 3.36Å; L109-A138 HydrophobicContact CB-CB 4.26Å; L109-A138 HydrophobicContact CD2-CB 3.71Å; L109-P158 HydrophobicContact CB-CG 4.34Å; L109-P158 HydrophobicContact CD1-CG 4.31Å; L109-I200 HydrophobicContact CD1-CG2 4.34Å; L109-F202 HydrophobicContact CD1-CB 3.52Å; L109-F202 HydrophobicContact CD1-CD2 4.27Å; L109-F202 HydrophobicContact CD1-CG 4.09Å
110H97.3Very high96.1Very high5 Ų532.9 Ų32.92%0.02317%0.172CC..Hα-helixtrans-60.7-41.9178.9-68.1169.7000111.6L72 L83 V106 D107 Y112 Q113 M114 E135L72-H110 HydrophobicContact CD2-CB 3.69Å; L72-H110 VanDerWaalsContact CD2-CD2 3.5Å; L72-H110 WeakPolarHBondContact CD2-CD2 3.45Å; L83-H110 HydrophobicContact CD1-CB 4.26Å; V106-H110 WeakPolarHBondContact CG1-CE1 3.35Å; V106-H110 PolarHBondContact O-N 2.95Å; D107-H110 PolarHBondContact O-N 3.15Å; H110-Y112 VanDerWaalsContact C-N 3.35Å; H110-Y112 PolarHBondContact O-N 2.97Å; H110-Q113 PolarHBondContact CD2-OE1 2.85Å; H110-Q113 PolarHBondContact O-N 3.49Å; H110-M114 WeakPolarHBondContact O-CB 3.45Å; H110-M114 WeakPolarHBondContact O-CG 3.27Å; H110-M114 PolarHBondContact O-N 3.13Å; H110-E135 IonicContact CD2-OE2 2.82Å; H110-E135 PolarHBondContact CD2-OE2 3.04Å; H110-E135 IonicContact CE1-OE1 2.69Å; H110-E135 PolarHBondContact CE1-OE1 3.23Å; H110-E135 IonicContact CE1-OE2 3.61Å; H110-E135 IonicContact NE2-OE1 3.76Å; H110-E135 PolarHBondContact NE2-OE1 3.38Å; H110-E135 IonicContact NE2-OE2 2.69Å; H110-E135 PolarHBondContact NE2-OE2 3.46Å
111A96.7Very high96Very high0 Ų031.7 Ų31.70%017%0.17CC..Hα-helixtrans-53.9-49.5174.500000112.4L83 V86 T87 D107 L108 L109 K115L83-A111 HydrophobicContact CB-CB 3.98Å; L83-A111 HydrophobicContact CD2-CB 4.49Å; L83-A111 WeakPolarHBondContact O-CB 3.26Å; V86-A111 HydrophobicContact CB-CB 4.24Å; T87-A111 HydrophobicContact CG2-CB 4.2Å; D107-A111 WeakPolarHBondContact O-CB 3.39Å; D107-A111 PolarHBondContact O-N 3.35Å; L108-A111 WeakPolarHBondContact O-CB 3.43Å; L108-A111 PolarHBondContact O-N 3.46Å; L109-A111 VanDerWaalsContact C-N 3.33Å; L109-A111 PolarHBondContact O-N 3.48Å; A111-K115 WeakPolarHBondContact O-CB 3.44Å; A111-K115 PolarHBondContact O-N 3.37Å
112Y98.1Very high96.1Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-72.7-36179.4-79.1-66000113.2T87 I94 L108 L109 H110 K115 A116 P158 R248 G249 P251T87-Y112 HydrophobicContact CG2-CD1 3.86Å; T87-Y112 HydrophobicContact CG2-CE1 3.88Å; T87-Y112 HydrophobicContact CG2-CG 4.36Å; I94-Y112 HydrophobicContact CD1-CE2 4.4Å; I94-Y112 VanDerWaalsContact CD1-OH 3.25Å; I94-Y112 WeakPolarHBondContact CD1-OH 3.35Å; L108-Y112 HydrophobicContact CD1-CD2 4.01Å; L108-Y112 HydrophobicContact CD1-CE2 3.64Å; L108-Y112 HydrophobicContact CG-CD2 4.23Å; L108-Y112 HydrophobicContact CG-CE2 4.18Å; L108-Y112 WeakPolarHBondContact O-CD2 3.49Å; L108-Y112 PolarHBondContact O-N 2.96Å; L109-Y112 PolarHBondContact O-N 2.91Å; H110-Y112 VanDerWaalsContact C-N 3.35Å; H110-Y112 PolarHBondContact O-N 2.97Å; Y112-K115 PolarHBondContact O-N 3.33Å; Y112-A116 WeakPolarHBondContact O-CB 3.44Å; Y112-A116 PolarHBondContact O-N 3.3Å; Y112-P158 HydrophobicContact CD2-CB 4.22Å; Y112-P158 HydrophobicContact CD2-CG 3.93Å; Y112-R248 WeakPolarHBondContact CE1-O 3.19Å; Y112-G249 WeakPolarHBondContact CD1-O 3.26Å; Y112-P251 HydrophobicContact CD2-CG 4.46Å; Y112-P251 HydrophobicContact CE1-CG 4.41Å; Y112-P251 HydrophobicContact CE2-CB 4.31Å; Y112-P251 HydrophobicContact CE2-CG 3.77Å; Y112-P251 VanDerWaalsContact CZ-CD 3.43Å; Y112-P251 WeakPolarHBondContact OH-CB 3.47Å
113Q97.9Very high95.9Very high5 Ų530.2 Ų30.22%0.02317%0.173CC..Hα-helixtrans-63.7-43.2173.2-74.8174.3-29.800111.9L68 L72 L109 H110 A116 L117 F130 F202L68-Q113 HydrophobicContact CD2-CB 4.21Å; L68-Q113 HydrophobicContact CD2-CG 4.24Å; L72-Q113 HydrophobicContact CD1-CB 3.98Å; L109-Q113 HydrophobicContact CD1-CG 3.98Å; L109-Q113 HydrophobicContact CG-CG 4.3Å; L109-Q113 WeakPolarHBondContact O-CB 3.35Å; L109-Q113 WeakPolarHBondContact O-CG 3.42Å; L109-Q113 PolarHBondContact O-N 3.2Å; H110-Q113 PolarHBondContact CD2-OE1 2.85Å; H110-Q113 PolarHBondContact O-N 3.49Å; Q113-A116 PolarHBondContact O-N 3.06Å; Q113-L117 WeakPolarHBondContact O-CB 3.17Å; Q113-L117 WeakPolarHBondContact O-CG 3.45Å; Q113-L117 PolarHBondContact O-N 3.14Å; Q113-F130 HydrophobicContact CB-CE1 4.28Å; Q113-F130 HydrophobicContact CG-CD1 4.12Å; Q113-F130 HydrophobicContact CG-CE1 4.03Å; Q113-F202 HydrophobicContact CG-CD2 4.07Å
114M96Very high95.8Very high61 Ų6131.4 Ų31.430%0.318%0.18SC..Hα-helixtrans-60.2-48.8175.1-73.4174.869.800111.2L72 L83 L84 H110 A116 L117 Q118L72-M114 HydrophobicContact CD1-CG 3.93Å; L72-M114 HydrophobicContact CD2-CG 4.42Å; L83-M114 HydrophobicContact CB-SD 4.19Å; L83-M114 HydrophobicContact CD1-SD 3.67Å; L84-M114 HydrophobicContact CD2-CB 4.13Å; H110-M114 WeakPolarHBondContact O-CB 3.45Å; H110-M114 WeakPolarHBondContact O-CG 3.27Å; H110-M114 PolarHBondContact O-N 3.13Å; M114-A116 PolarHBondContact O-N 2.67Å; M114-L117 PolarHBondContact O-N 2.56Å; M114-Q118 WeakPolarHBondContact O-CG 3.16Å; M114-Q118 PolarHBondContact O-N 3.46Å
115K96.7Very high95.3Very high48 Ų4829.6 Ų29.621%0.20917%0.169CC..Hα-helixtrans-61.3-46.4177.5-177.864.4175.8-170.30111.5L84 T87 A111 Y112 L117 Q118 L119 L247L84-K115 HydrophobicContact CD2-CB 4.28Å; T87-K115 HydrophobicContact CG2-CB 3.88Å; T87-K115 HydrophobicContact CG2-CG 4.31Å; A111-K115 WeakPolarHBondContact O-CB 3.44Å; A111-K115 PolarHBondContact O-N 3.37Å; Y112-K115 PolarHBondContact O-N 3.33Å; K115-L117 VanDerWaalsContact C-N 3.32Å; K115-L117 PolarHBondContact O-N 2.98Å; K115-Q118 WeakPolarHBondContact O-CB 3.34Å; K115-Q118 PolarHBondContact O-N 3.04Å; K115-L119 WeakPolarHBondContact O-CG 3.4Å; K115-L119 PolarHBondContact O-N 2.84Å; K115-L247 WeakPolarHBondContact CE-O 3.47Å
116A97.5Very high95Very high0 Ų029.4 Ų29.40%017%0.168CC..Hα-helixtrans-60.5-39.8177.800000112.2Y112 Q113 M114 L119 Y120 I127 F130 F202 L244Y112-A116 WeakPolarHBondContact O-CB 3.44Å; Y112-A116 PolarHBondContact O-N 3.3Å; Q113-A116 PolarHBondContact O-N 3.06Å; M114-A116 PolarHBondContact O-N 2.67Å; A116-L119 PolarHBondContact O-N 3.04Å; A116-Y120 PolarHBondContact O-N 3.18Å; A116-I127 HydrophobicContact CB-CD1 3.6Å; A116-I127 VanDerWaalsContact O-CD1 3.27Å; A116-I127 WeakPolarHBondContact O-CD1 3.35Å; A116-F130 HydrophobicContact CB-CE1 3.75Å; A116-F130 HydrophobicContact CB-CZ 3.57Å; A116-F202 HydrophobicContact CB-CE2 4.48Å; A116-L244 HydrophobicContact CB-CD1 4.24Å
117L96.4Very high95Very high9 Ų928.4 Ų28.45%0.04716%0.162CC..Hα-helixtrans-66.6-41.2173.8-78.6168.9000112.8M65 L68 K69 L72 Q113 M114 K115 L119 Y120 D121 F130M65-L117 HydrophobicContact CB-CD2 4.41Å; M65-L117 HydrophobicContact SD-CD2 3.86Å; L68-L117 HydrophobicContact CD2-CD1 3.91Å; L68-L117 HydrophobicContact CD2-CG 4.29Å; L68-L117 HydrophobicContact CG-CD1 3.95Å; K69-L117 HydrophobicContact CG-CD1 3.81Å; K69-L117 HydrophobicContact CG-CD2 4.09Å; L72-L117 HydrophobicContact CD1-CD1 3.58Å; Q113-L117 WeakPolarHBondContact O-CB 3.17Å; Q113-L117 WeakPolarHBondContact O-CG 3.45Å; Q113-L117 PolarHBondContact O-N 3.14Å; M114-L117 PolarHBondContact O-N 2.56Å; K115-L117 VanDerWaalsContact C-N 3.32Å; K115-L117 PolarHBondContact O-N 2.98Å; L117-L119 VanDerWaalsContact C-N 3.26Å; L117-L119 PolarHBondContact O-N 3.33Å; L117-Y120 WeakPolarHBondContact O-CB 3.45Å; L117-Y120 PolarHBondContact O-N 3.45Å; L117-Y120 VanDerWaalsContact O-N 3.09Å; L117-D121 PolarHBondContact O-N 2.9Å; L117-F130 HydrophobicContact CD2-CE2 3.67Å; L117-F130 HydrophobicContact CD2-CZ 4.26Å; L117-F130 HydrophobicContact CG-CE2 3.86Å; L117-F130 HydrophobicContact CG-CZ 3.94Å
118Q95.3Very high95.1Very high92 Ų9228.3 Ų28.343%0.4316%0.162SC..Hα-helixtrans-58.5-40.1173.7-74.4179.9-12.400111.8L84 M114 K115 S122L84-Q118 VanDerWaalsContact CD1-NE2 3.28Å; M114-Q118 WeakPolarHBondContact O-CG 3.16Å; M114-Q118 PolarHBondContact O-N 3.46Å; K115-Q118 WeakPolarHBondContact O-CB 3.34Å; K115-Q118 PolarHBondContact O-N 3.04Å; Q118-S122 PolarHBondContact O-N 3.45Å
119L96.2Very high95Very high17 Ų1728.6 Ų28.69%0.08916%0.163CC..Hα-helixtrans-69.7-34.3175.3-62.4176.8000112.4K115 A116 L117 S122 G123 N124 S125 L244 L247K115-L119 WeakPolarHBondContact O-CG 3.4Å; K115-L119 PolarHBondContact O-N 2.84Å; A116-L119 PolarHBondContact O-N 3.04Å; L117-L119 VanDerWaalsContact C-N 3.26Å; L117-L119 PolarHBondContact O-N 3.33Å; L119-S122 PolarHBondContact O-N 3.09Å; L119-S122 PolarHBondContact O-OG 3.39Å; L119-G123 PolarHBondContact O-N 3.06Å; L119-N124 CarbonylContact O-C 3.6Å; L119-N124 PolarHBondContact O-N 2.88Å; L119-S125 PolarHBondContact O-N 2.95Å; L119-L244 HydrophobicContact CD1-CD1 4.21Å; L119-L247 HydrophobicContact CD1-CB 3.64Å; L119-L247 HydrophobicContact CD1-CD1 4.42Å; L119-L247 HydrophobicContact CD2-CB 3.89Å; L119-L247 HydrophobicContact CD2-CD1 3.87Å; L119-L247 HydrophobicContact CD2-CG 4.44Å; L119-L247 HydrophobicContact CG-CB 4.43Å
120Y94.9Very high95Very high67 Ų6728.8 Ų28.826%0.26316%0.164SC..Hα-helixtrans-66.1-44.1176.6179.4-89.4000110.4M65 A116 L117 S122 G123M65-Y120 HydrophobicContact CE-CD2 3.92Å; M65-Y120 HydrophobicContact CE-CE2 3.84Å; M65-Y120 HydrophobicContact CE-CG 4.49Å; M65-Y120 HydrophobicContact CG-CD1 4.46Å; M65-Y120 HydrophobicContact CG-CE1 4.03Å; M65-Y120 HydrophobicContact CG-CE2 4.48Å; M65-Y120 HydrophobicContact SD-CD2 4.47Å; M65-Y120 HydrophobicContact SD-CG 4.47Å; A116-Y120 PolarHBondContact O-N 3.18Å; L117-Y120 WeakPolarHBondContact O-CB 3.45Å; L117-Y120 PolarHBondContact O-N 3.45Å; L117-Y120 VanDerWaalsContact O-N 3.09Å; Y120-S122 VanDerWaalsContact C-N 3.31Å; Y120-S122 PolarHBondContact O-N 2.98Å; Y120-G123 PolarHBondContact O-N 3.04Å
121D94.6Very high95Very high98 Ų9828.7 Ų28.752%0.52416%0.164SC..Hα-helixtrans-69-28.3178.5-70.7-14000112.8K69 L117 G123K69-D121 WeakPolarHBondContact CE-OD2 3.4Å; K69-D121 IonicContact NZ-OD1 3.99Å; K69-D121 PolarHBondContact NZ-OD1 3.27Å; K69-D121 IonicContact NZ-OD2 3.79Å; K69-D121 PolarHBondContact NZ-OD2 2.97Å; L117-D121 PolarHBondContact O-N 2.9Å; D121-G123 PolarHBondContact O-N 2.82Å
122S93.8Very high95Very high85 Ų8533 Ų3359%0.59419%0.187SC*.THydrogen-bonded Turntrans-75.1-10.7172.177.80000113.6Q118 L119 Y120Q118-S122 PolarHBondContact O-N 3.45Å; L119-S122 PolarHBondContact O-N 3.09Å; L119-S122 PolarHBondContact O-OG 3.39Å; Y120-S122 VanDerWaalsContact C-N 3.31Å; Y120-S122 PolarHBondContact O-N 2.98Å
123G91.5Very high94.9Very high56 Ų5636 Ų3658%0.57720%0.2SC*.THydrogen-bonded Turntrans84.27.3178.600000115.3L119 Y120 D121L119-G123 PolarHBondContact O-N 3.06Å; Y120-G123 PolarHBondContact O-N 3.04Å; D121-G123 PolarHBondContact O-N 2.82Å
124N90.4Very high94.9Very high30 Ų3035.7 Ų35.716%0.1620%0.199CC..  trans-135.570176.9-168.736.3000112.2L119 S225 V243 L247L119-N124 CarbonylContact O-C 3.6Å; L119-N124 PolarHBondContact O-N 2.88Å; N124-S225 PolarHBondContact ND2-O 3.3Å; N124-S225 PolarHBondContact OD1-N 2.9Å; N124-S225 PolarHBondContact OD1-O 2.99Å; N124-V243 WeakPolarHBondContact O-CG1 3.26Å; N124-L247 WeakPolarHBondContact O-CD1 3.37Å
125S84.9Confident95Very high11 Ų1134.7 Ų34.78%0.07719%0.194CC..  trans-105.9-32.1-179.762.20000115L119 I127L119-S125 PolarHBondContact O-N 2.95Å; S125-I127 PolarHBondContact O-N 3.1Å; S125-I127 PolarHBondContact OG-N 3.48Å; S125-I127 VanDerWaalsContact OG-N 3.14Å
126G90.4Very high95Very high5 Ų538.4 Ų38.45%0.05221%0.212CC..  trans66.417.7-16700000114.6T205 A206 M224 G240G126-T205 CarbonylContact O-C 3.47Å; G126-T205 VanDerWaalsContact O-CA 3.24Å; G126-T205 WeakPolarHBondContact O-CA 3.26Å; G126-T205 WeakPolarHBondContact O-CB 3.4Å; G126-A206 PolarHBondContact O-N 3.49Å; G126-M224 WeakPolarHBondContact CA-SD 3.46Å; G126-G240 WeakPolarHBondContact O-CA 3.24Å
127I96.7Very high95Very high3 Ų340.3 Ų40.32%0.01522%0.222CC..EExtended strand (participates in β ladder)trans-87.4138-179.8-64.9166.2000110.6M65 A116 S125 F130 V203 L244M65-I127 HydrophobicContact CE-CG2 3.83Å; A116-I127 HydrophobicContact CB-CD1 3.6Å; A116-I127 VanDerWaalsContact O-CD1 3.27Å; A116-I127 WeakPolarHBondContact O-CD1 3.35Å; S125-I127 PolarHBondContact O-N 3.1Å; S125-I127 PolarHBondContact OG-N 3.48Å; S125-I127 VanDerWaalsContact OG-N 3.14Å; I127-F130 HydrophobicContact CD1-CZ 4.18Å; I127-V203 HydrophobicContact CB-CG2 4.32Å; I127-V203 HydrophobicContact CD1-CG2 4.44Å; I127-V203 HydrophobicContact CG1-CG2 4.01Å; I127-V203 HydrophobicContact CG2-CG2 3.54Å; I127-L244 HydrophobicContact CD1-CD1 4.04Å; I127-L244 HydrophobicContact CG1-CD1 4Å
128C97.1Very high95.1Very high1 Ų139.9 Ų39.91%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-84.8-62.3165.1-64.90000111.1L204 T205 A206 F221C128-L204 HydrophobicContact CB-CB 3.89Å; C128-L204 WeakPolarHBondContact CB-O 3.46Å; C128-L204 PolarHBondContact N-O 2.97Å; C128-T205 PolarHBondContact SG-O 2.64Å; C128-A206 WeakPolarHBondContact SG-CA 3.42Å; C128-A206 PolarHBondContact SG-N 2.68Å; C128-F221 VanDerWaalsContact CA-CD1 3.48Å; C128-F221 HydrophobicContact CB-CD1 3.86Å; C128-F221 HydrophobicContact CB-CD2 4.25Å; C128-F221 HydrophobicContact CB-CE1 3.54Å; C128-F221 HydrophobicContact CB-CE2 3.99Å; C128-F221 HydrophobicContact CB-CG 4.2Å; C128-F221 HydrophobicContact CB-CZ 3.62Å; C128-F221 WeakPolarHBondContact SG-CD2 3.28Å; C128-F221 WeakPolarHBondContact SG-CE2 3.41Å; C128-F221 VanDerWaalsContact SG-CZ 3.58Å
129E95.2Very high95.2Very high7 Ų738 Ų383%0.03321%0.214CC..EExtended strand (participates in β ladder)trans-166.9154.4-176.859.8-156125.900110.7K57 Y170 L204K57-E129 IonicContact NZ-OE1 2.67Å; K57-E129 PolarHBondContact NZ-OE1 2.93Å; K57-E129 IonicContact NZ-OE2 2.73Å; K57-E129 PolarHBondContact NZ-OE2 3.26Å; E129-Y170 HydrophobicContact CG-CD1 3.93Å; E129-Y170 HydrophobicContact CG-CE1 4.35Å; E129-L204 HydrophobicContact CG-CD1 4.21Å; E129-L204 PolarHBondContact O-N 2.66Å
130F97.9Very high95.3Very high4 Ų440.6 Ų40.62%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-81.1154172.8-69.3-82.6000111.7R64 M65 L68 Q113 A116 L117 I127 F202 V203R64-F130 VanDerWaalsContact CD-O 3.26Å; R64-F130 WeakPolarHBondContact CD-O 2.99Å; R64-F130 PolarHBondContact NH1-O 3.04Å; M65-F130 HydrophobicContact CE-CD2 3.92Å; M65-F130 HydrophobicContact CE-CE2 4.02Å; M65-F130 HydrophobicContact SD-CD2 3.46Å; M65-F130 WeakPolarHBondContact SD-CD2 3.34Å; M65-F130 HydrophobicContact SD-CE2 3.41Å; M65-F130 WeakPolarHBondContact SD-CE2 3.45Å; L68-F130 HydrophobicContact CD2-CB 4.03Å; L68-F130 HydrophobicContact CD2-CD1 3.77Å; L68-F130 HydrophobicContact CD2-CD2 3.38Å; L68-F130 HydrophobicContact CD2-CE1 4.01Å; L68-F130 HydrophobicContact CD2-CE2 3.65Å; L68-F130 HydrophobicContact CD2-CG 3.44Å; L68-F130 VanDerWaalsContact CD2-CG 3.44Å; L68-F130 HydrophobicContact CD2-CZ 3.95Å; Q113-F130 HydrophobicContact CB-CE1 4.28Å; Q113-F130 HydrophobicContact CG-CD1 4.12Å; Q113-F130 HydrophobicContact CG-CE1 4.03Å; A116-F130 HydrophobicContact CB-CE1 3.75Å; A116-F130 HydrophobicContact CB-CZ 3.57Å; L117-F130 HydrophobicContact CD2-CE2 3.67Å; L117-F130 HydrophobicContact CD2-CZ 4.26Å; L117-F130 HydrophobicContact CG-CE2 3.86Å; L117-F130 HydrophobicContact CG-CZ 3.94Å; I127-F130 HydrophobicContact CD1-CZ 4.18Å; F130-F202 WeakPolarHBondContact CA-O 3.18Å; F130-F202 HydrophobicContact CD1-CD2 4.18Å; F130-F202 HydrophobicContact CE1-CD2 4.19Å; F130-F202 HydrophobicContact CE1-CE2 4.15Å; F130-V203 HydrophobicContact CD1-CB 4.07Å; F130-V203 HydrophobicContact CD1-CG2 3.97Å; F130-V203 HydrophobicContact CE1-CB 4.32Å; F130-V203 HydrophobicContact CE1-CG2 4.08Å; F130-V203 HydrophobicContact CG-CG2 4.45Å
131L97.9Very high95.4Very high3 Ų337.9 Ų37.92%0.01622%0.218CC..  trans-92120.7175.7-55.6-177.4000109.7E133 A134 I167 Y170 P201 F202 L204L131-E133 PolarHBondContact O-N 2.76Å; L131-A134 HydrophobicContact CB-CB 4.49Å; L131-A134 VanDerWaalsContact O-CB 3.28Å; L131-A134 WeakPolarHBondContact O-CB 3.3Å; L131-A134 PolarHBondContact O-N 2.91Å; L131-I167 HydrophobicContact CD1-CD1 3.51Å; L131-I167 HydrophobicContact CD2-CD1 3.9Å; L131-I167 HydrophobicContact CG-CD1 4.38Å; L131-Y170 VanDerWaalsContact CA-OH 3.31Å; L131-Y170 WeakPolarHBondContact CA-OH 3.27Å; L131-Y170 HydrophobicContact CD2-CD1 3.78Å; L131-Y170 HydrophobicContact CD2-CD2 3.96Å; L131-Y170 HydrophobicContact CD2-CE1 3.46Å; L131-Y170 VanDerWaalsContact CD2-CE1 3.46Å; L131-Y170 HydrophobicContact CD2-CE2 3.68Å; L131-Y170 HydrophobicContact CD2-CG 4.02Å; L131-Y170 VanDerWaalsContact CD2-CZ 3.43Å; L131-P201 HydrophobicContact CD1-CB 3.75Å; L131-F202 PolarHBondContact N-O 3.39Å; L131-L204 HydrophobicContact CD2-CD1 4.33Å; L131-L204 HydrophobicContact CD2-CG 4.03Å
132D95.1Very high95.4Very high91 Ų9134.6 Ų34.649%0.48721%0.205SC..THydrogen-bonded Turntrans-62.7-34.2-179-64.5-30.9000111.3R64 A134 Y170R64-D132 IonicContact CZ-OD1 2.71Å; R64-D132 IonicContact CZ-OD2 3.44Å; R64-D132 IonicContact NH1-OD1 3.89Å; R64-D132 PolarHBondContact NH1-OD1 3.41Å; R64-D132 IonicContact NH1-OD2 3.92Å; R64-D132 PolarHBondContact NH1-OD2 2.9Å; R64-D132 IonicContact NH2-OD1 2.79Å; R64-D132 IonicContact NH2-OD2 2.97Å; R64-D132 PolarHBondContact NH2-OD2 3.48Å; D132-A134 PolarHBondContact O-N 3.04Å; D132-Y170 PolarHBondContact N-OH 3.45Å
133E96.6Very high95.5Very high62 Ų6236.3 Ų36.329%0.2921%0.207SC..Hα-helixtrans-73.5-7.3-177.1-53.590158.300113.1L131 E135 L137 Y170 R195L131-E133 PolarHBondContact O-N 2.76Å; E133-E135 PolarHBondContact O-N 3.37Å; E133-L137 VanDerWaalsContact O-CG 3.32Å; E133-L137 WeakPolarHBondContact O-CG 3.43Å; E133-L137 PolarHBondContact O-N 2.83Å; E133-Y170 WeakPolarHBondContact OE2-CE2 3.38Å; E133-Y170 PolarHBondContact OE2-OH 2.8Å; E133-R195 IonicContact OE2-NH2 3.09Å
134A98.3Very high95.7Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-64.8-39.2-177.500000112.5L109 L131 D132 L137 A138 I200 F202L109-A134 HydrophobicContact CD1-CB 4.12Å; L109-A134 HydrophobicContact CD2-CB 4.04Å; L109-A134 WeakPolarHBondContact CD2-O 3.33Å; L131-A134 HydrophobicContact CB-CB 4.49Å; L131-A134 VanDerWaalsContact O-CB 3.28Å; L131-A134 WeakPolarHBondContact O-CB 3.3Å; L131-A134 PolarHBondContact O-N 2.91Å; D132-A134 PolarHBondContact O-N 3.04Å; A134-L137 PolarHBondContact O-N 3.13Å; A134-A138 PolarHBondContact O-N 3.21Å; A134-I200 HydrophobicContact CB-CG2 3.98Å; A134-I200 WeakPolarHBondContact O-CG2 3.35Å; A134-F202 HydrophobicContact CB-CB 3.87Å
135E97.2Very high95.8Very high39 Ų3944.4 Ų44.418%0.18224%0.235CC..Hα-helixtrans-65.5-47.1-179.6-172.669.4-169.600111.2H71 L109 H110 E133 L137 A138 V139H71-E135 IonicContact NE2-OE1 3.38Å; L109-E135 HydrophobicContact CD2-CB 4.44Å; L109-E135 WeakPolarHBondContact CD2-OE2 3.36Å; H110-E135 IonicContact CD2-OE2 2.82Å; H110-E135 PolarHBondContact CD2-OE2 3.04Å; H110-E135 IonicContact CE1-OE1 2.69Å; H110-E135 PolarHBondContact CE1-OE1 3.23Å; H110-E135 IonicContact CE1-OE2 3.61Å; H110-E135 IonicContact NE2-OE1 3.76Å; H110-E135 PolarHBondContact NE2-OE1 3.38Å; H110-E135 IonicContact NE2-OE2 2.69Å; H110-E135 PolarHBondContact NE2-OE2 3.46Å; E133-E135 PolarHBondContact O-N 3.37Å; E135-L137 VanDerWaalsContact C-N 3.31Å; E135-L137 PolarHBondContact O-N 2.65Å; E135-A138 WeakPolarHBondContact O-CB 3.1Å; E135-A138 PolarHBondContact O-N 3Å; E135-A138 VanDerWaalsContact O-N 3.09Å; E135-V139 HydrophobicContact CG-CG2 4.47Å; E135-V139 WeakPolarHBondContact O-CG2 3.4Å; E135-V139 PolarHBondContact O-N 3.29Å
136E97.6Very high96.2Very high127 Ų12747.5 Ų47.559%0.59325%0.245SC*.Hα-helixtrans-56.7-46.1177.5-175179.3-176.200110.8A138 V139 D140E136-A138 PolarHBondContact O-N 3.17Å; E136-V139 PolarHBondContact O-N 3.42Å; E136-D140 WeakPolarHBondContact O-CB 3.45Å; E136-D140 PolarHBondContact O-N 2.93Å
137L98Very high96.5Very high40 Ų4050.8 Ų50.821%0.20926%0.261CS..Hα-helixtrans-61.5-42.2175.6-67.8170000112.5E133 A134 E135 L141 R195 I200E133-L137 VanDerWaalsContact O-CG 3.32Å; E133-L137 WeakPolarHBondContact O-CG 3.43Å; E133-L137 PolarHBondContact O-N 2.83Å; A134-L137 PolarHBondContact O-N 3.13Å; E135-L137 VanDerWaalsContact C-N 3.31Å; E135-L137 PolarHBondContact O-N 2.65Å; L137-L141 WeakPolarHBondContact O-CB 3.5Å; L137-L141 WeakPolarHBondContact O-CD1 3.35Å; L137-L141 WeakPolarHBondContact O-CG 3.45Å; L137-L141 PolarHBondContact O-N 3.16Å; L137-L141 VanDerWaalsContact O-N 3.11Å; L137-R195 HydrophobicContact CD1-CG 3.85Å; L137-I200 HydrophobicContact CB-CG2 4.43Å
138A97.8Very high96.4Very high0 Ų051.3 Ų51.30%026%0.264CS..Hα-helixtrans-64-43.3178.800000111.8S105 V106 L109 A134 E135 E136 A142 I200S105-A138 PolarHBondContact OG-O 3.29Å; V106-A138 HydrophobicContact CG2-CB 3.95Å; L109-A138 HydrophobicContact CB-CB 4.26Å; L109-A138 HydrophobicContact CD2-CB 3.71Å; A134-A138 PolarHBondContact O-N 3.21Å; E135-A138 WeakPolarHBondContact O-CB 3.1Å; E135-A138 PolarHBondContact O-N 3Å; E135-A138 VanDerWaalsContact O-N 3.09Å; E136-A138 PolarHBondContact O-N 3.17Å; A138-A142 PolarHBondContact O-N 3.11Å; A138-A142 VanDerWaalsContact O-N 3.1Å; A138-I200 HydrophobicContact CB-CD1 3.79Å
139V97.2Very high96.2Very high51 Ų5154.6 Ų54.631%0.30929%0.285SS..Hα-helixtrans-65.6-45.2178.1169.30000110.9V106 E135 E136 L141 A142 N143V106-V139 HydrophobicContact CG2-CB 4.41Å; V106-V139 HydrophobicContact CG2-CG2 3.75Å; E135-V139 HydrophobicContact CG-CG2 4.47Å; E135-V139 WeakPolarHBondContact O-CG2 3.4Å; E135-V139 PolarHBondContact O-N 3.29Å; E136-V139 PolarHBondContact O-N 3.42Å; V139-L141 VanDerWaalsContact C-N 3.34Å; V139-L141 PolarHBondContact O-N 3.11Å; V139-A142 PolarHBondContact O-N 2.58Å; V139-N143 WeakPolarHBondContact CG1-ND2 3.48Å; V139-N143 WeakPolarHBondContact O-CB 3.42Å; V139-N143 VanDerWaalsContact O-CG 3.26Å; V139-N143 PolarHBondContact O-N 3.32Å; V139-N143 PolarHBondContact O-ND2 2.87Å
140D97.9Very high95.7Very high72 Ų7259.1 Ų59.139%0.38532%0.317SS..Hα-helixtrans-59.7-44.6178.2-81-8.4000111.8E136 N143 M144E136-D140 WeakPolarHBondContact O-CB 3.45Å; E136-D140 PolarHBondContact O-N 2.93Å; D140-N143 PolarHBondContact O-N 2.78Å; D140-M144 HydrophobicContact CB-CE 4.05Å; D140-M144 WeakPolarHBondContact O-CB 3.25Å; D140-M144 VanDerWaalsContact O-CE 3.25Å; D140-M144 WeakPolarHBondContact O-CE 3.37Å; D140-M144 WeakPolarHBondContact O-CG 3.39Å; D140-M144 PolarHBondContact O-N 3.5Å
141L96.8Very high95.1Very high10 Ų1067.2 Ų67.25%0.05235%0.352CS..Hα-helixtrans-63.9-41.3177.2-70.1168.1000112.2L137 V139 N145 R146 V155 G198 I200L137-L141 WeakPolarHBondContact O-CB 3.5Å; L137-L141 WeakPolarHBondContact O-CD1 3.35Å; L137-L141 WeakPolarHBondContact O-CG 3.45Å; L137-L141 PolarHBondContact O-N 3.16Å; L137-L141 VanDerWaalsContact O-N 3.11Å; V139-L141 VanDerWaalsContact C-N 3.34Å; V139-L141 PolarHBondContact O-N 3.11Å; L141-N145 PolarHBondContact O-N 2.89Å; L141-R146 HydrophobicContact CD2-CB 3.99Å; L141-R146 HydrophobicContact CD2-CG 4.28Å; L141-R146 PolarHBondContact O-N 3.14Å; L141-V155 HydrophobicContact CD2-CG1 4.21Å; L141-G198 WeakPolarHBondContact CD1-O 3.31Å; L141-I200 HydrophobicContact CD1-CD1 4.01Å; L141-I200 HydrophobicContact CD1-CG1 3.87Å
142A94.7Very high94.7Very high29 Ų2970.2 Ų70.224%0.2437%0.366CS..Hα-helixtrans-63.6-47.6175.600000111.4V106 A138 V139 M144 N145V106-A142 HydrophobicContact CG2-CB 4.38Å; A138-A142 PolarHBondContact O-N 3.11Å; A138-A142 VanDerWaalsContact O-N 3.1Å; V139-A142 PolarHBondContact O-N 2.58Å; A142-M144 VanDerWaalsContact C-N 3.31Å; A142-M144 PolarHBondContact O-N 2.86Å; A142-N145 PolarHBondContact O-N 2.95Å; A142-N145 PolarHBondContact O-OD1 3.16Å
143N96.1Very high94.6Very high121 Ų12166.2 Ų66.265%0.64735%0.345SS*.Hα-helixtrans-63.4-36.4179.6-72.7-25.1000112.7V139 D140 N145V139-N143 WeakPolarHBondContact CG1-ND2 3.48Å; V139-N143 WeakPolarHBondContact O-CB 3.42Å; V139-N143 VanDerWaalsContact O-CG 3.26Å; V139-N143 PolarHBondContact O-N 3.32Å; V139-N143 PolarHBondContact O-ND2 2.87Å; D140-N143 PolarHBondContact O-N 2.78Å; N143-N145 PolarHBondContact O-N 3.39Å
144M95.7Very high94.6Very high124 Ų12463.3 Ų63.361%0.61133%0.331SS*.THydrogen-bonded Turntrans-76.8-5.5174.9-71.9-173.6-77.500113.5D140 A142 R146D140-M144 HydrophobicContact CB-CE 4.05Å; D140-M144 WeakPolarHBondContact O-CB 3.25Å; D140-M144 VanDerWaalsContact O-CE 3.25Å; D140-M144 WeakPolarHBondContact O-CE 3.37Å; D140-M144 WeakPolarHBondContact O-CG 3.39Å; D140-M144 PolarHBondContact O-N 3.5Å; A142-M144 VanDerWaalsContact C-N 3.31Å; A142-M144 PolarHBondContact O-N 2.86Å; M144-R146 HydrophobicContact CB-CB 4.33Å; M144-R146 PolarHBondContact O-N 3.46Å
145N92Very high94.6Very high132 Ų13263.3 Ų63.371%0.70633%0.331SS*.THydrogen-bonded Turntrans49.235-168.3-67-51.8000112.5L141 A142 N143 L147L141-N145 PolarHBondContact O-N 2.89Å; A142-N145 PolarHBondContact O-N 2.95Å; A142-N145 PolarHBondContact O-OD1 3.16Å; N143-N145 PolarHBondContact O-N 3.39Å; N145-L147 PolarHBondContact O-N 3.32Å
146R95.1Very high94.7Very high77 Ų7761.6 Ų61.629%0.29132%0.324SS..  trans-81.5107.3178.4-165.2-174.8169.1-173.1-3.2107.6L141 M144 V155 H196 E197L141-R146 HydrophobicContact CD2-CB 3.99Å; L141-R146 HydrophobicContact CD2-CG 4.28Å; L141-R146 PolarHBondContact O-N 3.14Å; M144-R146 HydrophobicContact CB-CB 4.33Å; M144-R146 PolarHBondContact O-N 3.46Å; R146-V155 HydrophobicContact CB-CG1 4.22Å; R146-V155 HydrophobicContact CG-CG1 3.8Å; R146-V155 WeakPolarHBondContact O-CG1 3.5Å; R146-H196 PolarHBondContact NH1-O 3.23Å; R146-H196 VanDerWaalsContact NH1-O 3.1Å; R146-H196 PolarHBondContact NH2-O 3.28Å; R146-E197 PolarHBondContact NH2-O 2.82Å
147L95.1Very high94.7Very high74 Ų7455.6 Ų55.639%0.38730%0.296SS..  trans-109.2159.7-174.9-67.4168.7000111.9L98 V99 N145L98-L147 WeakPolarHBondContact O-CD2 3.22Å; V99-L147 HydrophobicContact CG2-CB 4.4Å; N145-L147 PolarHBondContact O-N 3.32Å
148P95.1Very high94.7Very high14 Ų1453.7 Ų53.79%0.09129%0.286CS..  trans-51.7141171-25.131000112.9Q95 L98 V99 Q152 V155Q95-P148 HydrophobicContact CB-CB 4.17Å; Q95-P148 HydrophobicContact CB-CG 4.37Å; Q95-P148 HydrophobicContact CG-CB 4.13Å; Q95-P148 HydrophobicContact CG-CG 4.28Å; L98-P148 HydrophobicContact CB-CG 4.18Å; L98-P148 HydrophobicContact CD1-CG 3.87Å; V99-P148 HydrophobicContact CG2-CB 4.3Å; V99-P148 WeakPolarHBondContact CG2-O 3.35Å; P148-Q152 WeakPolarHBondContact CA-O 3.22Å; P148-V155 WeakPolarHBondContact CG-O 3.49Å
149T93Very high94.8Very high70 Ų7053.7 Ų53.743%0.42929%0.286SS..  trans-127.9170.6169.966.80000110.1K151 Q152 T153T149-K151 PolarHBondContact O-N 3.25Å; T149-K151 VanDerWaalsContact O-N 3.14Å; T149-K151 PolarHBondContact OG1-N 3.2Å; T149-Q152 PolarHBondContact N-O 3.47Å; T149-Q152 CarbonylContact O-C 3.34Å; T149-Q152 VanDerWaalsContact O-C 3.27Å; T149-Q152 PolarHBondContact O-N 2.95Å; T149-Q152 PolarHBondContact OG1-N 3.11Å; T149-T153 WeakPolarHBondContact O-CA 3.48Å; T149-T153 WeakPolarHBondContact O-CG2 3.38Å; T149-T153 PolarHBondContact O-N 2.91Å
150S84.9Confident94.9Very high102 Ų10251.2 Ų51.271%0.71327%0.271SS*.SBendtrans-58-27.3175.5590000113.6
151K84.1Confident94.9Very high174 Ų17447.8 Ų47.876%0.75725%0.253SS*.SBendtrans-95-36177.9-66.2-174.1178.9-179.10113.2T149T149-K151 PolarHBondContact O-N 3.25Å; T149-K151 VanDerWaalsContact O-N 3.14Å; T149-K151 PolarHBondContact OG1-N 3.2Å
152Q90.7Very high95Very high66 Ų6647.3 Ų47.331%0.30825%0.25SS..  trans-113.476.9178.4-63.1-175.6-63.400109P148 T149 V155 E197P148-Q152 WeakPolarHBondContact CA-O 3.22Å; T149-Q152 PolarHBondContact N-O 3.47Å; T149-Q152 CarbonylContact O-C 3.34Å; T149-Q152 VanDerWaalsContact O-C 3.27Å; T149-Q152 PolarHBondContact O-N 2.95Å; T149-Q152 PolarHBondContact OG1-N 3.11Å; Q152-V155 HydrophobicContact CB-CG2 3.68Å; Q152-V155 WeakPolarHBondContact O-CG2 3.45Å; Q152-E197 PolarHBondContact NE2-OE2 2.96Å
153T92.2Very high95.1Very high7 Ų746 Ų464%0.04324%0.239CC..THydrogen-bonded Turntrans-76.2-27.3-169.153.40000112.3Q95 T149 K313Q95-T153 PolarHBondContact NE2-O 3.1Å; T149-T153 WeakPolarHBondContact O-CA 3.48Å; T149-T153 WeakPolarHBondContact O-CG2 3.38Å; T149-T153 PolarHBondContact O-N 2.91Å; T153-K313 HydrophobicContact CG2-CG 4.23Å; T153-K313 WeakPolarHBondContact OG1-CB 3.45Å
154L97.8Very high95.2Very high1 Ų140.5 Ų40.51%0.00521%0.21CC..THydrogen-bonded Turntrans-95.212.3-175.8-60.8-170000115.2L91 G156 I157 A199 K313 L314 T317L91-L154 HydrophobicContact CD1-CD2 4.44Å; L91-L154 HydrophobicContact CD2-CD2 3.74Å; L154-G156 PolarHBondContact O-N 3.36Å; L154-I157 HydrophobicContact CB-CB 4.34Å; L154-I157 HydrophobicContact CB-CG1 4.49Å; L154-I157 HydrophobicContact CD2-CB 4.3Å; L154-I157 HydrophobicContact CD2-CG1 4.27Å; L154-I157 HydrophobicContact CD2-CG2 4.25Å; L154-I157 WeakPolarHBondContact O-CB 3.15Å; L154-I157 PolarHBondContact O-N 2.89Å; L154-A199 HydrophobicContact CB-CB 4.03Å; L154-A199 VanDerWaalsContact O-CA 3.27Å; L154-A199 WeakPolarHBondContact O-CA 3.44Å; L154-K313 HydrophobicContact CD2-CB 4.15Å; L154-L314 HydrophobicContact CD1-CB 4.05Å; L154-L314 HydrophobicContact CD1-CD1 3.42Å; L154-L314 VanDerWaalsContact CD1-CD1 3.42Å; L154-L314 HydrophobicContact CD1-CG 4.32Å; L154-T317 HydrophobicContact CB-CG2 4.14Å; L154-T317 HydrophobicContact CD1-CG2 4.17Å; L154-T317 WeakPolarHBondContact CD1-OG1 3.1Å; L154-T317 HydrophobicContact CG-CG2 4.47Å; L154-T317 VanDerWaalsContact CG-OG1 3.3Å; L154-T317 WeakPolarHBondContact CG-OG1 3.37Å
155V98.3Very high95.2Very high0 Ų034.7 Ų34.70%018%0.181CC..THydrogen-bonded Turntrans-59.8126175.2177.10000110.1L141 R146 P148 Q152 I157 E197 G198L141-V155 HydrophobicContact CD2-CG1 4.21Å; R146-V155 HydrophobicContact CB-CG1 4.22Å; R146-V155 HydrophobicContact CG-CG1 3.8Å; R146-V155 WeakPolarHBondContact O-CG1 3.5Å; P148-V155 WeakPolarHBondContact CG-O 3.49Å; Q152-V155 HydrophobicContact CB-CG2 3.68Å; Q152-V155 WeakPolarHBondContact O-CG2 3.45Å; V155-I157 PolarHBondContact O-N 3.09Å; V155-E197 WeakPolarHBondContact CG2-O 3.36Å; V155-G198 CarbonylContact C-O 3.47Å; V155-G198 WeakPolarHBondContact CA-O 3.5Å
156G98.1Very high95.5Very high3 Ų328.9 Ų28.93%0.03115%0.151CC..THydrogen-bonded Turntrans75.53.8-179.300000114.5L154 G198L154-G156 PolarHBondContact O-N 3.36Å; G156-G198 PolarHBondContact N-O 2.95Å
157I98.5Very high95.7Very high0 Ų025.3 Ų25.30%014%0.138CC..  trans-93.8126.4-176.5-55.3-59.7000110.6L91 I94 Q95 L98 L108 L154 V155 I200 P251 V252L91-I157 HydrophobicContact CD1-CD1 3.93Å; L91-I157 HydrophobicContact CD1-CG1 4.08Å; L91-I157 HydrophobicContact CD1-CG2 3.76Å; I94-I157 HydrophobicContact CG2-CD1 3.62Å; Q95-I157 HydrophobicContact CG-CD1 4.39Å; L98-I157 HydrophobicContact CD1-CD1 3.55Å; L108-I157 HydrophobicContact CD2-CD1 3.7Å; L154-I157 HydrophobicContact CB-CB 4.34Å; L154-I157 HydrophobicContact CB-CG1 4.49Å; L154-I157 HydrophobicContact CD2-CB 4.3Å; L154-I157 HydrophobicContact CD2-CG1 4.27Å; L154-I157 HydrophobicContact CD2-CG2 4.25Å; L154-I157 WeakPolarHBondContact O-CB 3.15Å; L154-I157 PolarHBondContact O-N 2.89Å; V155-I157 PolarHBondContact O-N 3.09Å; I157-I200 PolarHBondContact O-N 3.39Å; I157-P251 HydrophobicContact CG2-CG 3.81Å; I157-V252 HydrophobicContact CG2-CG2 4.48Å
158P98.6Very high95.8Very high0 Ų028 Ų280%015%0.147CC..EExtended strand (participates in β ladder)trans-64.4135.5171.4-25.337.1000113L108 L109 Y112 I200 F202 P251L108-P158 HydrophobicContact CG-CG 4.23Å; L109-P158 HydrophobicContact CB-CG 4.34Å; L109-P158 HydrophobicContact CD1-CG 4.31Å; Y112-P158 HydrophobicContact CD2-CB 4.22Å; Y112-P158 HydrophobicContact CD2-CG 3.93Å; P158-I200 CarbonylContact C-O 3.5Å; P158-I200 VanDerWaalsContact CA-O 3.23Å; P158-I200 WeakPolarHBondContact CA-O 3.38Å; P158-F202 HydrophobicContact CB-CB 4.49Å; P158-F202 HydrophobicContact CB-CD1 3.51Å; P158-F202 HydrophobicContact CB-CE1 3.84Å; P158-F202 HydrophobicContact CB-CG 4.02Å; P158-P251 WeakPolarHBondContact O-CD 3.47Å; P158-P251 WeakPolarHBondContact O-CG 3.29Å
159V98.8Very high95.9Very high0 Ų029.9 Ų29.90%017%0.168CC..EExtended strand (participates in β ladder)trans-126.8127.2179.4-175.20000110.3L161 L194 A199 I200 P201 F202 V252 I254V159-L161 HydrophobicContact CG1-CD2 4.22Å; V159-L194 HydrophobicContact CG1-CD1 4.34Å; V159-A199 HydrophobicContact CG2-CB 3.95Å; V159-I200 PolarHBondContact N-O 3.25Å; V159-P201 WeakPolarHBondContact O-CA 3.43Å; V159-F202 WeakPolarHBondContact O-CD1 3.12Å; V159-F202 PolarHBondContact O-N 3.14Å; V159-V252 HydrophobicContact CG1-CG2 4.48Å; V159-V252 HydrophobicContact CG2-CG2 4.03Å; V159-I254 HydrophobicContact CG1-CG1 4.36Å
160S98.8Very high96.2Very high0 Ų026.9 Ų26.90%015%0.149CC..EExtended strand (participates in β ladder)trans-81.1146.1171.554.20000111.3E241 S250 V252 G253 I254S160-E241 WeakPolarHBondContact CB-OE2 3.46Å; S160-E241 PolarHBondContact OG-OE2 3.21Å; S160-S250 PolarHBondContact N-OG 2.94Å; S160-S250 PolarHBondContact OG-OG 2.78Å; S160-V252 PolarHBondContact N-O 3.36Å; S160-V252 VanDerWaalsContact N-O 3.1Å; S160-V252 PolarHBondContact OG-O 3.34Å; S160-G253 CarbonylContact O-C 3.5Å; S160-G253 VanDerWaalsContact O-CA 3.25Å; S160-G253 WeakPolarHBondContact O-CA 3.43Å; S160-G253 VanDerWaalsContact OG-CA 3.27Å; S160-G253 WeakPolarHBondContact OG-CA 3.38Å; S160-I254 PolarHBondContact O-N 3.16Å
161L98.8Very high96.8Very high0 Ų022.4 Ų22.40%012%0.117CC..EExtended strand (participates in β ladder)trans-129.6128.3-179.5-59177.4000110.4V159 E163 C165 I167 V191 L194 P201 V203 L204 T205 E241 I254V159-L161 HydrophobicContact CG1-CD2 4.22Å; L161-E163 PolarHBondContact O-N 3.44Å; L161-C165 HydrophobicContact CB-CB 4.3Å; L161-C165 HydrophobicContact CD1-CB 4.5Å; L161-I167 HydrophobicContact CD1-CD1 3.79Å; L161-V191 HydrophobicContact CD1-CG2 3.63Å; L161-L194 HydrophobicContact CD2-CD1 3.8Å; L161-P201 HydrophobicContact CD1-CB 3.75Å; L161-P201 HydrophobicContact CD1-CG 4.25Å; L161-P201 HydrophobicContact CG-CB 4.46Å; L161-V203 PolarHBondContact N-O 3.33Å; L161-L204 HydrophobicContact CB-CD2 4.13Å; L161-L204 CarbonylContact O-C 3.23Å; L161-L204 VanDerWaalsContact O-CA 3.22Å; L161-L204 WeakPolarHBondContact O-CA 3.32Å; L161-T205 PolarHBondContact O-N 2.87Å; L161-E241 WeakPolarHBondContact CA-OE1 3.31Å; L161-E241 PolarHBondContact N-OE1 3.33Å; L161-I254 HydrophobicContact CD2-CB 3.67Å; L161-I254 HydrophobicContact CD2-CG1 3.63Å; L161-I254 HydrophobicContact CD2-CG2 4.48Å
162K98.4Very high97.4Very high0 Ų015.5 Ų15.50%09%0.088CC..EExtended strand (participates in β ladder)trans-54136.6166.6-173.9-176.9-170.3169.40109.9L164 C165 T205 T207 S237 S238 E241 I254 T256K162-L164 HydrophobicContact CD-CB 4.49Å; K162-L164 HydrophobicContact CD-CD1 4.2Å; K162-L164 HydrophobicContact CD-CG 4.19Å; K162-L164 HydrophobicContact CG-CB 4.48Å; K162-L164 HydrophobicContact CG-CG 4.24Å; K162-L164 PolarHBondContact O-N 2.87Å; K162-C165 PolarHBondContact O-N 2.88Å; K162-T205 WeakPolarHBondContact CA-OG1 3.27Å; K162-T207 WeakPolarHBondContact CE-OG1 3.44Å; K162-S237 PolarHBondContact NZ-OG 3.39Å; K162-S238 WeakPolarHBondContact CD-OG 3.32Å; K162-S238 PolarHBondContact NZ-OG 2.87Å; K162-E241 HydrophobicContact CB-CG 4.36Å; K162-E241 PolarHBondContact N-OE1 2.98Å; K162-I254 VanDerWaalsContact CB-O 3.27Å; K162-I254 WeakPolarHBondContact CB-O 3.26Å; K162-I254 PolarHBondContact N-O 3.13Å; K162-T256 HydrophobicContact CD-CG2 4.09Å; K162-T256 PolarHBondContact NZ-O 3.02Å; K162-T256 PolarHBondContact NZ-OG1 2.63Å
163E97.6Very high97.7Very high1 Ų112.4 Ų12.41%0.0057%0.073CC..THydrogen-bonded Turntrans-54.9-8.4-177.866.6164.4124.700115.7L161 C165 T173 F174 T205 T207L161-E163 PolarHBondContact O-N 3.44Å; E163-C165 VanDerWaalsContact C-N 3.3Å; E163-T173 WeakPolarHBondContact OE2-CA 3.38Å; E163-T173 WeakPolarHBondContact OE2-CB 3.34Å; E163-T173 PolarHBondContact OE2-N 3.26Å; E163-T173 PolarHBondContact OE2-OG1 3.24Å; E163-F174 PolarHBondContact OE2-N 2.82Å; E163-F174 VanDerWaalsContact OE2-N 3.11Å; E163-T205 WeakPolarHBondContact CB-O 3.06Å; E163-T205 PolarHBondContact N-O 2.58Å; E163-T207 HydrophobicContact CG-CG2 3.98Å; E163-T207 VanDerWaalsContact OE1-CG2 3.3Å; E163-T207 WeakPolarHBondContact OE1-CG2 3.36Å; E163-T207 PolarHBondContact OE1-N 3.28Å; E163-T207 VanDerWaalsContact OE1-N 3.11Å
164L97Very high97.8Very high5 Ų512.3 Ų12.33%0.0267%0.073CC..THydrogen-bonded Turntrans-79.3-12.9174-55.3-170.1000113K162 S166 I172 F174 T207 A211 T256 V286 G287K162-L164 HydrophobicContact CD-CB 4.49Å; K162-L164 HydrophobicContact CD-CD1 4.2Å; K162-L164 HydrophobicContact CD-CG 4.19Å; K162-L164 HydrophobicContact CG-CB 4.48Å; K162-L164 HydrophobicContact CG-CG 4.24Å; K162-L164 PolarHBondContact O-N 2.87Å; L164-S166 PolarHBondContact O-N 3.17Å; L164-I172 HydrophobicContact CD2-CG2 3.76Å; L164-F174 HydrophobicContact CD1-CE1 3.95Å; L164-F174 HydrophobicContact CD1-CZ 4.25Å; L164-F174 HydrophobicContact CD2-CD1 3.81Å; L164-F174 HydrophobicContact CD2-CD2 3.76Å; L164-F174 HydrophobicContact CD2-CE1 3.6Å; L164-F174 HydrophobicContact CD2-CE2 3.55Å; L164-F174 HydrophobicContact CD2-CG 3.88Å; L164-F174 HydrophobicContact CD2-CZ 3.44Å; L164-F174 VanDerWaalsContact CD2-CZ 3.44Å; L164-F174 HydrophobicContact CG-CE1 4.44Å; L164-F174 HydrophobicContact CG-CZ 4.42Å; L164-T207 HydrophobicContact CD2-CG2 4.34Å; L164-A211 HydrophobicContact CD1-CB 4.02Å; L164-T256 HydrophobicContact CB-CG2 4.35Å; L164-V286 HydrophobicContact CB-CG1 4.35Å; L164-V286 CarbonylContact O-C 3.33Å; L164-V286 WeakPolarHBondContact O-CA 2.99Å; L164-G287 PolarHBondContact O-N 2.83Å
165C97.3Very high97.7Very high2 Ų212.3 Ų12.31%0.0147%0.072CC..BIsolated β-bridgetrans-73.1111.3166.7-63.40000108.6L161 K162 E163 I167 V191L161-C165 HydrophobicContact CB-CB 4.3Å; L161-C165 HydrophobicContact CD1-CB 4.5Å; K162-C165 PolarHBondContact O-N 2.88Å; E163-C165 VanDerWaalsContact C-N 3.3Å; C165-I167 PolarHBondContact O-N 3.37Å; C165-V191 HydrophobicContact CB-CG2 4.3Å
166S97.5Very high97.6Very high11 Ų1112.3 Ų12.38%0.0777%0.073CC..  trans-63.8127.9176-168.30000110.2L164 S184 K186 D187 C188 G285L164-S166 PolarHBondContact O-N 3.17Å; S166-S184 WeakPolarHBondContact OG-CB 3.29Å; S166-S184 PolarHBondContact OG-OG 2.83Å; S166-K186 PolarHBondContact OG-O 2.85Å; S166-K186 VanDerWaalsContact OG-O 3.11Å; S166-D187 CarbonylContact O-C 3.35Å; S166-D187 WeakPolarHBondContact O-CA 3.35Å; S166-C188 PolarHBondContact O-N 3.08Å; S166-G285 WeakPolarHBondContact CB-O 3.3Å
167I98.3Very high97.6Very high1 Ų112.6 Ų12.61%0.0057%0.073CC..  trans-129.2130.4173-54.5-178.1000106.8L131 L161 C165 G169 Y170 S184 D187 V191 L204L131-I167 HydrophobicContact CD1-CD1 3.51Å; L131-I167 HydrophobicContact CD2-CD1 3.9Å; L131-I167 HydrophobicContact CG-CD1 4.38Å; L161-I167 HydrophobicContact CD1-CD1 3.79Å; C165-I167 PolarHBondContact O-N 3.37Å; I167-G169 PolarHBondContact O-N 3.48Å; I167-Y170 HydrophobicContact CB-CD2 3.77Å; I167-Y170 HydrophobicContact CB-CG 4.36Å; I167-Y170 HydrophobicContact CG2-CD2 3.49Å; I167-Y170 VanDerWaalsContact CG2-CD2 3.49Å; I167-Y170 HydrophobicContact CG2-CE2 3.84Å; I167-Y170 HydrophobicContact CG2-CG 4.49Å; I167-Y170 PolarHBondContact O-N 3.4Å; I167-S184 WeakPolarHBondContact O-CB 3.35Å; I167-D187 WeakPolarHBondContact CA-OD1 3.44Å; I167-V191 HydrophobicContact CD1-CG2 4.06Å; I167-V191 HydrophobicContact CG1-CG1 4.23Å; I167-V191 HydrophobicContact CG1-CG2 3.71Å; I167-L204 HydrophobicContact CD1-CD2 3.63Å; I167-L204 HydrophobicContact CD1-CG 4.37Å; I167-L204 HydrophobicContact CG1-CD2 4.41Å
168K98.2Very high97.5Very high132 Ų13214.6 Ų14.657%0.5748%0.084SC*.BIsolated β-bridgetrans-53.1127.5178.3-179.3-176.2173.5-1680109.6Y170 S184 D187K168-Y170 VanDerWaalsContact O-CD2 3.25Å; K168-Y170 WeakPolarHBondContact O-CD2 3.37Å; K168-Y170 WeakPolarHBondContact O-CE2 3.42Å; K168-S184 WeakPolarHBondContact CA-O 3.3Å; K168-D187 WeakPolarHBondContact CB-OD1 3.36Å; K168-D187 PolarHBondContact N-OD1 3.47Å
169G97.7Very high97.4Very high52 Ų5217 Ų1754%0.5369%0.093SC..THydrogen-bonded Turntrans92-11.3-178.300000115.1I167 P183 S184I167-G169 PolarHBondContact O-N 3.48Å; G169-P183 VanDerWaalsContact C-CB 3.43Å; G169-P183 VanDerWaalsContact O-CB 3.28Å; G169-P183 WeakPolarHBondContact O-CB 3.49Å; G169-S184 PolarHBondContact N-O 3.3Å
170Y98Very high97.3Very high7 Ų717 Ų173%0.0279%0.093CC..  trans-116.1148.9-175.7-57.6-93.7000112.8R64 E129 L131 D132 E133 I167 K168 P183 S184 L204R64-Y170 VanDerWaalsContact NH1-CE1 3.32Å; R64-Y170 PolarHBondContact NH1-OH 3.3Å; R64-Y170 VanDerWaalsContact NH1-OH 3.14Å; E129-Y170 HydrophobicContact CG-CD1 3.93Å; E129-Y170 HydrophobicContact CG-CE1 4.35Å; L131-Y170 VanDerWaalsContact CA-OH 3.31Å; L131-Y170 WeakPolarHBondContact CA-OH 3.27Å; L131-Y170 HydrophobicContact CD2-CD1 3.78Å; L131-Y170 HydrophobicContact CD2-CD2 3.96Å; L131-Y170 HydrophobicContact CD2-CE1 3.46Å; L131-Y170 VanDerWaalsContact CD2-CE1 3.46Å; L131-Y170 HydrophobicContact CD2-CE2 3.68Å; L131-Y170 HydrophobicContact CD2-CG 4.02Å; L131-Y170 VanDerWaalsContact CD2-CZ 3.43Å; D132-Y170 PolarHBondContact N-OH 3.45Å; E133-Y170 WeakPolarHBondContact OE2-CE2 3.38Å; E133-Y170 PolarHBondContact OE2-OH 2.8Å; I167-Y170 HydrophobicContact CB-CD2 3.77Å; I167-Y170 HydrophobicContact CB-CG 4.36Å; I167-Y170 HydrophobicContact CG2-CD2 3.49Å; I167-Y170 VanDerWaalsContact CG2-CD2 3.49Å; I167-Y170 HydrophobicContact CG2-CE2 3.84Å; I167-Y170 HydrophobicContact CG2-CG 4.49Å; I167-Y170 PolarHBondContact O-N 3.4Å; K168-Y170 VanDerWaalsContact O-CD2 3.25Å; K168-Y170 WeakPolarHBondContact O-CD2 3.37Å; K168-Y170 WeakPolarHBondContact O-CE2 3.42Å; Y170-P183 WeakPolarHBondContact O-CA 3.24Å; Y170-S184 PolarHBondContact O-N 3.39Å; Y170-S184 PolarHBondContact O-OG 3Å; Y170-S184 VanDerWaalsContact O-OG 3.09Å; Y170-L204 HydrophobicContact CD1-CD1 4.12Å; Y170-L204 HydrophobicContact CG-CD1 4.11Å
171D97.6Very high97.3Very high9 Ų920.1 Ų20.15%0.04811%0.11CC..BIsolated β-bridgetrans-78.9147.6-178-67.4-25.3000111.7K57 T173 N181 K182 P183K57-D171 WeakPolarHBondContact CE-OD2 3.08Å; K57-D171 IonicContact NZ-OD2 3.82Å; K57-D171 PolarHBondContact NZ-OD2 3.3Å; D171-T173 HydrophobicContact CB-CG2 3.75Å; D171-N181 PolarHBondContact OD1-N 3.38Å; D171-N181 PolarHBondContact OD2-N 2.78Å; D171-K182 WeakPolarHBondContact OD1-CA 3.36Å; D171-K182 PolarHBondContact OD1-N 2.73Å; D171-P183 VanDerWaalsContact OD1-N 3.11Å
172I96.9Very high97.2Very high29 Ų2925.6 Ų25.615%0.14913%0.133CC..  trans-107.2101.9161.2-55177000108.2L164 F174L164-I172 HydrophobicContact CD2-CG2 3.76Å; I172-F174 HydrophobicContact CG2-CD2 3.76Å; I172-F174 HydrophobicContact CG2-CE2 3.43Å; I172-F174 VanDerWaalsContact CG2-CE2 3.43Å; I172-F174 HydrophobicContact CG2-CZ 4.41Å
173T96.6Very high97.1Very high0 Ų028.5 Ų28.50%015%0.152CC..  trans-95.7-30.7-166.780.60000113.9E163 D171 G175 L176 R179 F221E163-T173 WeakPolarHBondContact OE2-CA 3.38Å; E163-T173 WeakPolarHBondContact OE2-CB 3.34Å; E163-T173 PolarHBondContact OE2-N 3.26Å; E163-T173 PolarHBondContact OE2-OG1 3.24Å; D171-T173 HydrophobicContact CB-CG2 3.75Å; T173-G175 PolarHBondContact O-N 2.74Å; T173-G175 PolarHBondContact OG1-N 3.47Å; T173-L176 VanDerWaalsContact O-CB 3.27Å; T173-L176 WeakPolarHBondContact O-CB 3.44Å; T173-L176 PolarHBondContact O-N 2.81Å; T173-R179 WeakPolarHBondContact O-CB 3.32Å; T173-R179 WeakPolarHBondContact O-CD 3.4Å; T173-F221 HydrophobicContact CG2-CE2 4.04Å; T173-F221 HydrophobicContact CG2-CZ 3.83Å; T173-F221 VanDerWaalsContact OG1-CE2 3.31Å; T173-F221 WeakPolarHBondContact OG1-CE2 3.28Å
174F95.5Very high97.1Very high6 Ų629.3 Ų29.33%0.02616%0.158CC..THydrogen-bonded Turntrans57.524.5-167.6-69.6-103.7000113E163 L164 I172 L176 T210 A211 V288 I289E163-F174 PolarHBondContact OE2-N 2.82Å; E163-F174 VanDerWaalsContact OE2-N 3.11Å; L164-F174 HydrophobicContact CD1-CE1 3.95Å; L164-F174 HydrophobicContact CD1-CZ 4.25Å; L164-F174 HydrophobicContact CD2-CD1 3.81Å; L164-F174 HydrophobicContact CD2-CD2 3.76Å; L164-F174 HydrophobicContact CD2-CE1 3.6Å; L164-F174 HydrophobicContact CD2-CE2 3.55Å; L164-F174 HydrophobicContact CD2-CG 3.88Å; L164-F174 HydrophobicContact CD2-CZ 3.44Å; L164-F174 VanDerWaalsContact CD2-CZ 3.44Å; L164-F174 HydrophobicContact CG-CE1 4.44Å; L164-F174 HydrophobicContact CG-CZ 4.42Å; I172-F174 HydrophobicContact CG2-CD2 3.76Å; I172-F174 HydrophobicContact CG2-CE2 3.43Å; I172-F174 VanDerWaalsContact CG2-CE2 3.43Å; I172-F174 HydrophobicContact CG2-CZ 4.41Å; F174-L176 HydrophobicContact CB-CD1 4.08Å; F174-L176 HydrophobicContact CB-CG 4.2Å; F174-L176 PolarHBondContact O-N 2.82Å; F174-T210 PolarHBondContact O-N 3.42Å; F174-A211 HydrophobicContact CD1-CB 3.76Å; F174-A211 HydrophobicContact CE1-CB 4.01Å; F174-V288 WeakPolarHBondContact CZ-O 3.41Å; F174-I289 HydrophobicContact CD1-CB 4.05Å; F174-I289 HydrophobicContact CD1-CD1 4.25Å; F174-I289 HydrophobicContact CD1-CG1 4.49Å; F174-I289 HydrophobicContact CE1-CB 3.92Å; F174-I289 HydrophobicContact CZ-CB 4.44Å
175G96Very high97.1Very high0 Ų037.4 Ų37.40%020%0.195CC..THydrogen-bonded Turntrans62.224.6-168.800000113.9T173 N218T173-G175 PolarHBondContact O-N 2.74Å; T173-G175 PolarHBondContact OG1-N 3.47Å; G175-N218 WeakPolarHBondContact CA-ND2 3.38Å; G175-N218 WeakPolarHBondContact CA-OD1 3.4Å
176L96.2Very high97.1Very high1 Ų143.6 Ų43.61%0.00522%0.222CC..  trans-110123.9179-57.4170000110.9T173 F174 N178 R179 Q209 T210 I289 A416 L417 E420T173-L176 VanDerWaalsContact O-CB 3.27Å; T173-L176 WeakPolarHBondContact O-CB 3.44Å; T173-L176 PolarHBondContact O-N 2.81Å; F174-L176 HydrophobicContact CB-CD1 4.08Å; F174-L176 HydrophobicContact CB-CG 4.2Å; F174-L176 PolarHBondContact O-N 2.82Å; L176-N178 PolarHBondContact O-N 3.22Å; L176-R179 HydrophobicContact CB-CG 4.36Å; L176-R179 PolarHBondContact O-N 3.14Å; L176-Q209 HydrophobicContact CD2-CG 4.22Å; L176-T210 HydrophobicContact CD2-CG2 4.12Å; L176-I289 HydrophobicContact CD1-CD1 4.21Å; L176-A416 HydrophobicContact CD1-CB 3.86Å; L176-L417 HydrophobicContact CD2-CD2 3.92Å; L176-E420 HydrophobicContact CD2-CG 4.11Å
177I97.8Very high97.2Very high8 Ų844.4 Ų44.44%0.04123%0.225CC..G310 helixtrans-62.7-32.5-177.8-58.5172.2000111.1L50 K53 L54 R179 C180 V220 E420 P421L50-I177 HydrophobicContact CB-CB 4.35Å; L50-I177 HydrophobicContact CB-CG2 3.82Å; L50-I177 HydrophobicContact CD2-CB 4.24Å; L50-I177 HydrophobicContact CD2-CG2 4.08Å; L50-I177 WeakPolarHBondContact O-CG2 3.46Å; K53-I177 HydrophobicContact CB-CG2 4.11Å; L54-I177 HydrophobicContact CB-CD1 4.33Å; L54-I177 HydrophobicContact CB-CG1 4.46Å; L54-I177 HydrophobicContact CB-CG2 3.78Å; L54-I177 HydrophobicContact CD1-CG1 4.27Å; L54-I177 HydrophobicContact CD2-CD1 3.91Å; L54-I177 HydrophobicContact CG-CD1 4.49Å; I177-R179 PolarHBondContact O-N 3.36Å; I177-C180 WeakPolarHBondContact O-CB 3.49Å; I177-C180 PolarHBondContact O-N 3.05Å; I177-C180 VanDerWaalsContact O-N 3.14Å; I177-V220 HydrophobicContact CG1-CG2 4.2Å; I177-E420 VanDerWaalsContact CB-OE2 3.32Å; I177-E420 WeakPolarHBondContact CB-OE2 3.44Å; I177-E420 WeakPolarHBondContact CG1-OE2 3.23Å; I177-E420 PolarHBondContact N-OE1 3.4Å; I177-E420 PolarHBondContact N-OE2 3.16Å; I177-P421 HydrophobicContact CD1-CG 3.77Å
178N95.6Very high97.1Very high42 Ų4244.4 Ų44.423%0.22523%0.225CC..G310 helixtrans-62.7-22.9178.9-171.343.1000113.4K46 L50 K53 L176 K182 E420K46-N178 VanDerWaalsContact NZ-CG 3.25Å; K46-N178 PolarHBondContact NZ-OD1 3.04Å; L50-N178 VanDerWaalsContact CD2-CA 3.49Å; L50-N178 HydrophobicContact CD2-CB 3.68Å; K53-N178 PolarHBondContact NZ-O 3.49Å; L176-N178 PolarHBondContact O-N 3.22Å; N178-K182 PolarHBondContact O-NZ 3.33Å; N178-E420 WeakPolarHBondContact CB-OE1 3.4Å; N178-E420 PolarHBondContact N-OE1 3.18Å
179R95.8Very high97.1Very high52 Ų5238.3 Ų38.320%0.19620%0.199CC..G310 helixtrans-92.9-9.4178.4-67.6-167.6173.7-150.2-6.1113.8T173 L176 I177 V288 I289T173-R179 WeakPolarHBondContact O-CB 3.32Å; T173-R179 WeakPolarHBondContact O-CD 3.4Å; L176-R179 HydrophobicContact CB-CG 4.36Å; L176-R179 PolarHBondContact O-N 3.14Å; I177-R179 PolarHBondContact O-N 3.36Å; R179-V288 PolarHBondContact NH1-O 3.18Å; R179-I289 PolarHBondContact NH2-O 3.25Å
180C97.9Very high97.1Very high0 Ų035.8 Ų35.80%017%0.174CC..SBendtrans-66.2151.9172.5-57.50000112.7K57 I177 V220K57-C180 HydrophobicContact CB-CB 3.92Å; K57-C180 HydrophobicContact CG-CB 4.09Å; I177-C180 WeakPolarHBondContact O-CB 3.49Å; I177-C180 PolarHBondContact O-N 3.05Å; I177-C180 VanDerWaalsContact O-N 3.14Å; C180-V220 VanDerWaalsContact SG-CG1 3.6Å
181N97.8Very high97.2Very high65 Ų6535.5 Ų35.535%0.34817%0.172SC..SBendtrans61.244.4179.9-38.1-89.3000111.8K53 K57 D171K53-N181 PolarHBondContact O-ND2 3.44Å; K57-N181 PolarHBondContact N-OD1 2.92Å; D171-N181 PolarHBondContact OD1-N 3.38Å; D171-N181 PolarHBondContact OD2-N 2.78Å
182K96.5Very high97.2Very high114 Ų11438.6 Ų38.650%0.49619%0.187SC..  trans-140.670178.5-66.6-175.4176.8-179.50108.4D171 N178D171-K182 WeakPolarHBondContact OD1-CA 3.36Å; D171-K182 PolarHBondContact OD1-N 2.73Å; N178-K182 PolarHBondContact O-NZ 3.33Å
183P97.3Very high97.3Very high61 Ų6137.2 Ų37.240%0.39618%0.18SC..BIsolated β-bridgetrans-64.2145.6-173.627.1-35.8000110.8G169 Y170 D171G169-P183 VanDerWaalsContact C-CB 3.43Å; G169-P183 VanDerWaalsContact O-CB 3.28Å; G169-P183 WeakPolarHBondContact O-CB 3.49Å; Y170-P183 WeakPolarHBondContact O-CA 3.24Å; D171-P183 VanDerWaalsContact OD1-N 3.11Å
184S97.6Very high97.4Very high18 Ų1837.2 Ų37.213%0.12618%0.18CC..BIsolated β-bridgetrans-67148.5174.5-53.70000110.4S166 I167 K168 G169 Y170S166-S184 WeakPolarHBondContact OG-CB 3.29Å; S166-S184 PolarHBondContact OG-OG 2.83Å; I167-S184 WeakPolarHBondContact O-CB 3.35Å; K168-S184 WeakPolarHBondContact CA-O 3.3Å; G169-S184 PolarHBondContact N-O 3.3Å; Y170-S184 PolarHBondContact O-N 3.39Å; Y170-S184 PolarHBondContact O-OG 3Å; Y170-S184 VanDerWaalsContact O-OG 3.09Å
185H97Very high97.5Very high176 Ų17639.3 Ų39.382%0.81519%0.187SC*.SBendtrans-91.2-11.2-179.9-61-61000113.9
186K97.4Very high97.6Very high132 Ų13243.9 Ų43.957%0.57421%0.208SC*.SBendtrans-152.1158.9-176.563.7179.5-177.7-1790110.5S166S166-K186 PolarHBondContact OG-O 2.85Å; S166-K186 VanDerWaalsContact OG-O 3.11Å
187D98.4Very high97.6Very high27 Ų2744.7 Ų44.714%0.14421%0.212CC..  trans-74.4155.6171.1-66.8-10.4000110.7S166 I167 K168 V191 E192 R195S166-D187 CarbonylContact O-C 3.35Å; S166-D187 WeakPolarHBondContact O-CA 3.35Å; I167-D187 WeakPolarHBondContact CA-OD1 3.44Å; K168-D187 WeakPolarHBondContact CB-OD1 3.36Å; K168-D187 PolarHBondContact N-OD1 3.47Å; D187-V191 HydrophobicContact CB-CB 4.19Å; D187-V191 HydrophobicContact CB-CG1 4.04Å; D187-E192 HydrophobicContact CB-CG 3.67Å; D187-R195 IonicContact OD1-NH1 2.71Å; D187-R195 IonicContact OD2-CZ 3.85Å; D187-R195 IonicContact OD2-NH1 3.92Å; D187-R195 PolarHBondContact OD2-NH1 3.25Å
188C97.7Very high97.6Very high1 Ų144.4 Ų44.41%0.00721%0.211CC..  trans-80.3160.9165.775.70000110.2S166 I190 V191 E192 K284S166-C188 PolarHBondContact O-N 3.08Å; C188-I190 PolarHBondContact O-N 2.92Å; C188-I190 VanDerWaalsContact O-N 3.14Å; C188-V191 PolarHBondContact O-N 3.48Å; C188-V191 VanDerWaalsContact O-N 3.1Å; C188-V191 WeakPolarHBondContact SG-CG2 3.23Å; C188-E192 PolarHBondContact O-N 3.42Å; C188-K284 WeakPolarHBondContact CA-O 3.23Å; C188-K284 WeakPolarHBondContact CB-O 3.18Å
189C98Very high97.8Very high4 Ų442.4 Ų42.43%0.02720%0.201CC..Hα-helixtrans-56.2-36-177.5-170.40000112.5V193 K284 M326C189-V193 WeakPolarHBondContact O-CB 3.42Å; C189-V193 WeakPolarHBondContact O-CG2 3.14Å; C189-V193 PolarHBondContact O-N 3.03Å; C189-K284 HydrophobicContact CB-CB 4.11Å; C189-K284 PolarHBondContact N-O 2.8Å; C189-M326 HydrophobicContact CB-CE 4.43Å
190I98.4Very high97.9Very high0 Ų040 Ų400%019%0.191CC..Hα-helixtrans-63.3-46179.4-63.1133.2000111.2C188 V193 L194 I254 I281 S282 V286 V301 L318C188-I190 PolarHBondContact O-N 2.92Å; C188-I190 VanDerWaalsContact O-N 3.14Å; I190-V193 PolarHBondContact O-N 2.84Å; I190-L194 HydrophobicContact CG2-CD1 3.89Å; I190-L194 HydrophobicContact CG2-CG 4.4Å; I190-L194 WeakPolarHBondContact O-CB 3.39Å; I190-L194 VanDerWaalsContact O-CG 3.26Å; I190-L194 WeakPolarHBondContact O-CG 3.49Å; I190-L194 PolarHBondContact O-N 3.38Å; I190-I254 HydrophobicContact CG2-CG1 4.45Å; I190-I254 HydrophobicContact CG2-CG2 4.46Å; I190-I281 HydrophobicContact CG1-CG2 4.19Å; I190-S282 VanDerWaalsContact CD1-O 3.28Å; I190-S282 WeakPolarHBondContact CD1-O 3.27Å; I190-V286 HydrophobicContact CD1-CG2 3.66Å; I190-V301 HydrophobicContact CD1-CB 3.99Å; I190-V301 HydrophobicContact CD1-CG1 3.62Å; I190-V301 HydrophobicContact CD1-CG2 3.7Å; I190-V301 HydrophobicContact CG1-CG1 4.19Å; I190-L318 HydrophobicContact CG2-CD2 3.98Å
191V98.4Very high98Very high0 Ų040 Ų400%019%0.191CC..Hα-helixtrans-65-44.7-177.5170.80000110.7L161 C165 I167 D187 C188 L194 R195L161-V191 HydrophobicContact CD1-CG2 3.63Å; C165-V191 HydrophobicContact CB-CG2 4.3Å; I167-V191 HydrophobicContact CD1-CG2 4.06Å; I167-V191 HydrophobicContact CG1-CG1 4.23Å; I167-V191 HydrophobicContact CG1-CG2 3.71Å; D187-V191 HydrophobicContact CB-CB 4.19Å; D187-V191 HydrophobicContact CB-CG1 4.04Å; C188-V191 PolarHBondContact O-N 3.48Å; C188-V191 VanDerWaalsContact O-N 3.1Å; C188-V191 WeakPolarHBondContact SG-CG2 3.23Å; V191-L194 PolarHBondContact O-N 3.17Å; V191-R195 WeakPolarHBondContact O-CG 3.26Å; V191-R195 PolarHBondContact O-N 3.12Å
192E98.4Very high98Very high74 Ų7436.9 Ų36.935%0.34618%0.175SC..Hα-helixtrans-63.9-41177.3-69.1-172.9-12900112.3D187 C188 H196 M326D187-E192 HydrophobicContact CB-CG 3.67Å; C188-E192 PolarHBondContact O-N 3.42Å; E192-H196 VanDerWaalsContact O-CB 3.25Å; E192-H196 WeakPolarHBondContact O-CB 3.33Å; E192-H196 PolarHBondContact O-N 3.35Å; E192-M326 HydrophobicContact CB-CE 3.56Å; E192-M326 HydrophobicContact CB-SD 3.95Å; E192-M326 HydrophobicContact CG-CE 3.96Å; E192-M326 WeakPolarHBondContact OE2-CE 3.46Å
193V98.4Very high98.1Very high0 Ų031.4 Ų31.40%015%0.151CC..Hα-helixtrans-65.2-46.1176.3171.80000110.8C189 I190 R195 H196 E197 L318 K322 M323 M326C189-V193 WeakPolarHBondContact O-CB 3.42Å; C189-V193 WeakPolarHBondContact O-CG2 3.14Å; C189-V193 PolarHBondContact O-N 3.03Å; I190-V193 PolarHBondContact O-N 2.84Å; V193-R195 PolarHBondContact O-N 3.22Å; V193-H196 PolarHBondContact O-N 3.28Å; V193-E197 HydrophobicContact CG1-CG 4.25Å; V193-E197 WeakPolarHBondContact O-CG 3.19Å; V193-E197 PolarHBondContact O-N 2.99Å; V193-L318 HydrophobicContact CG1-CD2 4.29Å; V193-K322 HydrophobicContact CG2-CG 4.04Å; V193-M323 HydrophobicContact CB-CE 4.24Å; V193-M323 HydrophobicContact CG1-CE 4.23Å; V193-M323 HydrophobicContact CG2-CB 4.01Å; V193-M323 HydrophobicContact CG2-CE 3.97Å; V193-M323 HydrophobicContact CG2-SD 4.2Å; V193-M326 HydrophobicContact CG2-SD 4.01Å
194L98.6Very high98.2Very high0 Ų028.6 Ų28.60%013%0.133CC..Hα-helixtrans-56.8-50.3177.8-74.2171.5000111.4V159 L161 I190 V191 H196 E197 G198 A199 P201 I254 L314 T317 L318V159-L194 HydrophobicContact CG1-CD1 4.34Å; L161-L194 HydrophobicContact CD2-CD1 3.8Å; I190-L194 HydrophobicContact CG2-CD1 3.89Å; I190-L194 HydrophobicContact CG2-CG 4.4Å; I190-L194 WeakPolarHBondContact O-CB 3.39Å; I190-L194 VanDerWaalsContact O-CG 3.26Å; I190-L194 WeakPolarHBondContact O-CG 3.49Å; I190-L194 PolarHBondContact O-N 3.38Å; V191-L194 PolarHBondContact O-N 3.17Å; L194-H196 PolarHBondContact O-N 2.91Å; L194-E197 PolarHBondContact O-N 3.39Å; L194-G198 PolarHBondContact O-N 2.9Å; L194-G198 VanDerWaalsContact O-N 3.16Å; L194-A199 HydrophobicContact CB-CB 4.14Å; L194-A199 HydrophobicContact CD2-CB 3.96Å; L194-A199 WeakPolarHBondContact O-CB 3.36Å; L194-A199 PolarHBondContact O-N 2.98Å; L194-P201 HydrophobicContact CB-CG 4.06Å; L194-P201 HydrophobicContact CD1-CG 4.34Å; L194-I254 HydrophobicContact CD1-CG1 4.48Å; L194-L314 HydrophobicContact CD2-CD1 3.77Å; L194-T317 HydrophobicContact CD2-CG2 4.05Å; L194-L318 HydrophobicContact CD2-CD2 3.91Å; L194-L318 HydrophobicContact CG-CD2 3.96Å
195R98.1Very high98.2Very high51 Ų5127.7 Ų27.719%0.19213%0.127CC..Hα-helixtrans-59.9-44.8177.3-71.6176167.7171.1-10111.8E133 L137 D187 V191 V193 E197 G198 P201E133-R195 IonicContact OE2-NH2 3.09Å; L137-R195 HydrophobicContact CD1-CG 3.85Å; D187-R195 IonicContact OD1-NH1 2.71Å; D187-R195 IonicContact OD2-CZ 3.85Å; D187-R195 IonicContact OD2-NH1 3.92Å; D187-R195 PolarHBondContact OD2-NH1 3.25Å; V191-R195 WeakPolarHBondContact O-CG 3.26Å; V191-R195 PolarHBondContact O-N 3.12Å; V193-R195 PolarHBondContact O-N 3.22Å; R195-E197 PolarHBondContact O-N 3.34Å; R195-G198 PolarHBondContact O-N 3.01Å; R195-G198 VanDerWaalsContact O-N 3.11Å; R195-P201 HydrophobicContact CG-CG 4.14Å
196H97.4Very high98.3Very high95 Ų9519.4 Ų19.444%0.449%0.088SC..Hα-helixtrans-60.1-45.2177.9178.6-89.7000112.6R146 E192 V193 L194 G198 K322R146-H196 PolarHBondContact NH1-O 3.23Å; R146-H196 VanDerWaalsContact NH1-O 3.1Å; R146-H196 PolarHBondContact NH2-O 3.28Å; E192-H196 VanDerWaalsContact O-CB 3.25Å; E192-H196 WeakPolarHBondContact O-CB 3.33Å; E192-H196 PolarHBondContact O-N 3.35Å; V193-H196 PolarHBondContact O-N 3.28Å; L194-H196 PolarHBondContact O-N 2.91Å; H196-G198 PolarHBondContact O-N 2.86Å; H196-K322 HydrophobicContact CB-CG 4.11Å
197E97.7Very high98.3Very high19 Ų1913.1 Ų13.19%0.0896%0.061CC..THydrogen-bonded Turntrans-75.2-0178.1-63.2-50.4139.600113.6R146 Q152 V155 V193 L194 R195 T317 T320R146-E197 PolarHBondContact NH2-O 2.82Å; Q152-E197 PolarHBondContact NE2-OE2 2.96Å; V155-E197 WeakPolarHBondContact CG2-O 3.36Å; V193-E197 HydrophobicContact CG1-CG 4.25Å; V193-E197 WeakPolarHBondContact O-CG 3.19Å; V193-E197 PolarHBondContact O-N 2.99Å; L194-E197 PolarHBondContact O-N 3.39Å; R195-E197 PolarHBondContact O-N 3.34Å; E197-T317 HydrophobicContact CB-CG2 3.69Å; E197-T317 HydrophobicContact CG-CG2 4.27Å; E197-T317 WeakPolarHBondContact CG-O 3.11Å; E197-T320 HydrophobicContact CG-CG2 4.1Å; E197-T320 PolarHBondContact OE1-OG1 3.42Å
198G98Very high98.1Very high1 Ų111.8 Ų11.81%0.015%0.054CC..THydrogen-bonded Turntrans88.56.9174.400000114.5L141 V155 G156 L194 R195 H196L141-G198 WeakPolarHBondContact CD1-O 3.31Å; V155-G198 CarbonylContact C-O 3.47Å; V155-G198 WeakPolarHBondContact CA-O 3.5Å; G156-G198 PolarHBondContact N-O 2.95Å; L194-G198 PolarHBondContact O-N 2.9Å; L194-G198 VanDerWaalsContact O-N 3.16Å; R195-G198 PolarHBondContact O-N 3.01Å; R195-G198 VanDerWaalsContact O-N 3.11Å; H196-G198 PolarHBondContact O-N 2.86Å
199A98.6Very high98Very high1 Ų111.8 Ų11.81%0.0085%0.054CC..  trans-73.4152.8168.200000110.5L154 V159 L194 P201L154-A199 HydrophobicContact CB-CB 4.03Å; L154-A199 VanDerWaalsContact O-CA 3.27Å; L154-A199 WeakPolarHBondContact O-CA 3.44Å; V159-A199 HydrophobicContact CG2-CB 3.95Å; L194-A199 HydrophobicContact CB-CB 4.14Å; L194-A199 HydrophobicContact CD2-CB 3.96Å; L194-A199 WeakPolarHBondContact O-CB 3.36Å; L194-A199 PolarHBondContact O-N 2.98Å; A199-P201 WeakPolarHBondContact O-CD 3.47Å
200I98.7Very high97.7Very high0 Ų011.6 Ų11.60%05%0.052CC..EExtended strand (participates in β ladder)trans-113.888.8-174.3-54.5169.2000109.2L109 A134 L137 A138 L141 I157 P158 V159 F202L109-I200 HydrophobicContact CD1-CG2 4.34Å; A134-I200 HydrophobicContact CB-CG2 3.98Å; A134-I200 WeakPolarHBondContact O-CG2 3.35Å; L137-I200 HydrophobicContact CB-CG2 4.43Å; A138-I200 HydrophobicContact CB-CD1 3.79Å; L141-I200 HydrophobicContact CD1-CD1 4.01Å; L141-I200 HydrophobicContact CD1-CG1 3.87Å; I157-I200 PolarHBondContact O-N 3.39Å; P158-I200 CarbonylContact C-O 3.5Å; P158-I200 VanDerWaalsContact CA-O 3.23Å; P158-I200 WeakPolarHBondContact CA-O 3.38Å; V159-I200 PolarHBondContact N-O 3.25Å; I200-F202 PolarHBondContact O-N 3.25Å; I200-F202 VanDerWaalsContact O-N 3.12Å
201P98.8Very high97.5Very high0 Ų012.2 Ų12.20%06%0.058CC..EExtended strand (participates in β ladder)trans-52.2121162.6-27.336.6000109.9L131 V159 L161 L194 R195 A199L131-P201 HydrophobicContact CD1-CB 3.75Å; V159-P201 WeakPolarHBondContact O-CA 3.43Å; L161-P201 HydrophobicContact CD1-CB 3.75Å; L161-P201 HydrophobicContact CD1-CG 4.25Å; L161-P201 HydrophobicContact CG-CB 4.46Å; L194-P201 HydrophobicContact CB-CG 4.06Å; L194-P201 HydrophobicContact CD1-CG 4.34Å; R195-P201 HydrophobicContact CG-CG 4.14Å; A199-P201 WeakPolarHBondContact O-CD 3.47Å
202F98.7Very high97.1Very high0 Ų014.8 Ų14.80%07%0.071CC..EExtended strand (participates in β ladder)trans-126.1-20.7-174.482.3-75.3000115L109 Q113 A116 F130 L131 A134 P158 V159 I200 G249L109-F202 HydrophobicContact CD1-CB 3.52Å; L109-F202 HydrophobicContact CD1-CD2 4.27Å; L109-F202 HydrophobicContact CD1-CG 4.09Å; Q113-F202 HydrophobicContact CG-CD2 4.07Å; A116-F202 HydrophobicContact CB-CE2 4.48Å; F130-F202 WeakPolarHBondContact CA-O 3.18Å; F130-F202 HydrophobicContact CD1-CD2 4.18Å; F130-F202 HydrophobicContact CE1-CD2 4.19Å; F130-F202 HydrophobicContact CE1-CE2 4.15Å; L131-F202 PolarHBondContact N-O 3.39Å; A134-F202 HydrophobicContact CB-CB 3.87Å; P158-F202 HydrophobicContact CB-CB 4.49Å; P158-F202 HydrophobicContact CB-CD1 3.51Å; P158-F202 HydrophobicContact CB-CE1 3.84Å; P158-F202 HydrophobicContact CB-CG 4.02Å; V159-F202 WeakPolarHBondContact O-CD1 3.12Å; V159-F202 PolarHBondContact O-N 3.14Å; I200-F202 PolarHBondContact O-N 3.25Å; I200-F202 VanDerWaalsContact O-N 3.12Å; F202-G249 WeakPolarHBondContact CZ-O 3.29Å
203V98.6Very high96.7Very high0 Ų011.6 Ų11.60%06%0.057CC..EExtended strand (participates in β ladder)trans-150.7140.2-175.471.30000111.5I127 F130 L161 L244I127-V203 HydrophobicContact CB-CG2 4.32Å; I127-V203 HydrophobicContact CD1-CG2 4.44Å; I127-V203 HydrophobicContact CG1-CG2 4.01Å; I127-V203 HydrophobicContact CG2-CG2 3.54Å; F130-V203 HydrophobicContact CD1-CB 4.07Å; F130-V203 HydrophobicContact CD1-CG2 3.97Å; F130-V203 HydrophobicContact CE1-CB 4.32Å; F130-V203 HydrophobicContact CE1-CG2 4.08Å; F130-V203 HydrophobicContact CG-CG2 4.45Å; L161-V203 PolarHBondContact N-O 3.33Å; V203-L244 HydrophobicContact CG1-CD2 3.66Å
204L98.7Very high96.5Very high1 Ų112.2 Ų12.21%0.0056%0.06CC..EExtended strand (participates in β ladder)trans-90.6135.2167.6-68.6178.4000110.1C128 E129 L131 L161 I167 Y170C128-L204 HydrophobicContact CB-CB 3.89Å; C128-L204 WeakPolarHBondContact CB-O 3.46Å; C128-L204 PolarHBondContact N-O 2.97Å; E129-L204 HydrophobicContact CG-CD1 4.21Å; E129-L204 PolarHBondContact O-N 2.66Å; L131-L204 HydrophobicContact CD2-CD1 4.33Å; L131-L204 HydrophobicContact CD2-CG 4.03Å; L161-L204 HydrophobicContact CB-CD2 4.13Å; L161-L204 CarbonylContact O-C 3.23Å; L161-L204 VanDerWaalsContact O-CA 3.22Å; L161-L204 WeakPolarHBondContact O-CA 3.32Å; I167-L204 HydrophobicContact CD1-CD2 3.63Å; I167-L204 HydrophobicContact CD1-CG 4.37Å; I167-L204 HydrophobicContact CG1-CD2 4.41Å; Y170-L204 HydrophobicContact CD1-CD1 4.12Å; Y170-L204 HydrophobicContact CG-CD1 4.11Å
205T98.6Very high96.3Very high0 Ų012.2 Ų12.20%06%0.06CC..EExtended strand (participates in β ladder)trans-108.4148.317768.30000112.5G126 C128 L161 K162 E163 E241 L244G126-T205 CarbonylContact O-C 3.47Å; G126-T205 VanDerWaalsContact O-CA 3.24Å; G126-T205 WeakPolarHBondContact O-CA 3.26Å; G126-T205 WeakPolarHBondContact O-CB 3.4Å; C128-T205 PolarHBondContact SG-O 2.64Å; L161-T205 PolarHBondContact O-N 2.87Å; K162-T205 WeakPolarHBondContact CA-OG1 3.27Å; E163-T205 WeakPolarHBondContact CB-O 3.06Å; E163-T205 PolarHBondContact N-O 2.58Å; T205-E241 WeakPolarHBondContact CB-OE1 3.34Å; T205-E241 WeakPolarHBondContact CG2-OE1 3.38Å; T205-E241 VanDerWaalsContact OG1-CD 3.23Å; T205-E241 WeakPolarHBondContact OG1-CG 3.17Å; T205-E241 PolarHBondContact OG1-N 2.83Å; T205-E241 PolarHBondContact OG1-OE1 2.8Å; T205-L244 HydrophobicContact CG2-CB 4.38Å; T205-L244 HydrophobicContact CG2-CD2 3.68Å
206A98Very high96.1Very high1 Ų19.8 Ų9.81%0.0085%0.051CC..PPolyproline II helixtrans-73.4135.6-174.100000111.6G126 C128 F221 M224 G240G126-A206 PolarHBondContact O-N 3.49Å; C128-A206 WeakPolarHBondContact SG-CA 3.42Å; C128-A206 PolarHBondContact SG-N 2.68Å; A206-F221 HydrophobicContact CB-CB 4.18Å; A206-F221 HydrophobicContact CB-CD2 4.15Å; A206-F221 HydrophobicContact CB-CG 4.5Å; A206-M224 HydrophobicContact CB-CE 3.92Å; A206-M224 HydrophobicContact CB-SD 3.98Å; A206-G240 WeakPolarHBondContact O-CA 3.24Å; A206-G240 PolarHBondContact O-N 3.27Å
207T97.5Very high95.9Very high0 Ų07.4 Ų7.40%04%0.041CC..PPolyproline II helixtrans-91.7153.8169.9-162.80000110.9K162 E163 L164 A211 N218 S237K162-T207 WeakPolarHBondContact CE-OG1 3.44Å; E163-T207 HydrophobicContact CG-CG2 3.98Å; E163-T207 VanDerWaalsContact OE1-CG2 3.3Å; E163-T207 WeakPolarHBondContact OE1-CG2 3.36Å; E163-T207 PolarHBondContact OE1-N 3.28Å; E163-T207 VanDerWaalsContact OE1-N 3.11Å; L164-T207 HydrophobicContact CD2-CG2 4.34Å; T207-A211 HydrophobicContact CG2-CB 4.45Å; T207-N218 PolarHBondContact O-ND2 3.18Å; T207-S237 CarbonylContact C-O 3.59Å; T207-S237 WeakPolarHBondContact CA-O 3.35Å; T207-S237 WeakPolarHBondContact CB-O 3.31Å; T207-S237 WeakPolarHBondContact OG1-CB 3.36Å; T207-S237 PolarHBondContact OG1-O 3.35Å
208S95.4Very high95.9Very high0 Ų06.5 Ų6.50%04%0.037CC..PPolyproline II helixtrans-55.8145.7165.8-46.40000110.1T210 A211 S213 S215 S237 S239S208-T210 PolarHBondContact O-N 3.41Å; S208-A211 WeakPolarHBondContact O-CA 3.27Å; S208-A211 PolarHBondContact O-N 3.17Å; S208-S213 WeakPolarHBondContact CB-O 3.24Å; S208-S213 PolarHBondContact OG-O 2.77Å; S208-S215 WeakPolarHBondContact CB-O 3.36Å; S208-S215 PolarHBondContact OG-O 2.98Å; S208-S237 PolarHBondContact N-O 3.29Å; S208-S237 WeakPolarHBondContact OG-CA 3.42Å; S208-S239 PolarHBondContact OG-OG 2.96Å
209Q94.8Very high95.7Very high0 Ų07.4 Ų7.40%04%0.043CC..G310 helixtrans-48.8131.7179.9-168.3178.132.300111.8L176 A211 I217 P421 N423 T426L176-Q209 HydrophobicContact CD2-CG 4.22Å; Q209-A211 PolarHBondContact O-N 3.49Å; Q209-I217 PolarHBondContact N-O 3.22Å; Q209-P421 PolarHBondContact NE2-O 2.72Å; Q209-N423 PolarHBondContact OE1-ND2 2.85Å; Q209-T426 PolarHBondContact OE1-OG1 2.95Å
210T92.4Very high95.6Very high0 Ų07.4 Ų7.40%04%0.043CC..G310 helixtrans66.2-3.3-173.467.20000117.2F174 L176 S208 L212 I289 V413 L417 T426F174-T210 PolarHBondContact O-N 3.42Å; L176-T210 HydrophobicContact CD2-CG2 4.12Å; S208-T210 PolarHBondContact O-N 3.41Å; T210-L212 PolarHBondContact O-N 3.06Å; T210-L212 PolarHBondContact OG1-N 3.23Å; T210-I289 HydrophobicContact CG2-CD1 3.91Å; T210-I289 WeakPolarHBondContact O-CD1 3.36Å; T210-V413 HydrophobicContact CG2-CG1 4.4Å; T210-L417 HydrophobicContact CG2-CD2 3.51Å; T210-L417 HydrophobicContact CG2-CG 4.23Å; T210-T426 HydrophobicContact CG2-CG2 4.45Å
211A93.6Very high95.5Very high14 Ų149 Ų912%0.1165%0.05CC..G310 helixtrans57.715.9-167.500000115L164 F174 T207 S208 Q209 S237L164-A211 HydrophobicContact CD1-CB 4.02Å; F174-A211 HydrophobicContact CD1-CB 3.76Å; F174-A211 HydrophobicContact CE1-CB 4.01Å; T207-A211 HydrophobicContact CG2-CB 4.45Å; S208-A211 WeakPolarHBondContact O-CA 3.27Å; S208-A211 PolarHBondContact O-N 3.17Å; Q209-A211 PolarHBondContact O-N 3.49Å; A211-S237 WeakPolarHBondContact O-CB 3.48Å; A211-S237 PolarHBondContact O-OG 3.44Å; A211-S237 VanDerWaalsContact O-OG 3.14Å
212L89.8Confident95.3Very high54 Ų5410.5 Ų10.528%0.2837%0.065SC..  trans-122.419.7-179.6-60170.7000112.4T210 L258 T409 V413 L429T210-L212 PolarHBondContact O-N 3.06Å; T210-L212 PolarHBondContact OG1-N 3.23Å; L212-L258 HydrophobicContact CD2-CD2 4.45Å; L212-T409 HydrophobicContact CD1-CG2 3.52Å; L212-V413 HydrophobicContact CD1-CG2 3.77Å; L212-L429 HydrophobicContact CB-CD2 3.95Å; L212-L429 HydrophobicContact CD1-CD2 4.38Å
213S91.3Very high95.1Very high7 Ų715 Ų155%0.0499%0.088CC..  trans-117.5150.5177.6179.90000109.9S208 S215S208-S213 WeakPolarHBondContact CB-O 3.24Å; S208-S213 PolarHBondContact OG-O 2.77Å; S213-S215 PolarHBondContact OG-N 3.45Å; S213-S215 VanDerWaalsContact OG-N 3.15Å
214L93.7Very high95Very high13 Ų1315.2 Ų15.27%0.0689%0.09CC..SBendtrans-93.3-1.4173.3-58.1-176.6000112.5G235 I264 F502 F507 V520L214-G235 CarbonylContact O-C 3.6Å; L214-G235 VanDerWaalsContact O-CA 3.28Å; L214-G235 WeakPolarHBondContact O-CA 3.46Å; L214-G235 PolarHBondContact O-N 3.36Å; L214-I264 HydrophobicContact CD2-CD1 3.66Å; L214-I264 HydrophobicContact CD2-CG2 4.46Å; L214-F502 HydrophobicContact CD1-CE2 4.46Å; L214-F502 HydrophobicContact CD1-CZ 3.85Å; L214-F507 HydrophobicContact CB-CE1 4.19Å; L214-F507 HydrophobicContact CB-CZ 3.87Å; L214-F507 HydrophobicContact CD1-CE1 4.39Å; L214-V520 HydrophobicContact CD1-CG1 4.15Å; L214-V520 HydrophobicContact CD2-CG1 4.25Å
215S93.5Very high94.9Very high0 Ų016.2 Ų16.20%010%0.097CC..SBendtrans-92.8146.8-178.2174.60000112S208 S213 I217 E233 H425S208-S215 WeakPolarHBondContact CB-O 3.36Å; S208-S215 PolarHBondContact OG-O 2.98Å; S213-S215 PolarHBondContact OG-N 3.45Å; S213-S215 VanDerWaalsContact OG-N 3.15Å; S215-I217 PolarHBondContact O-N 3.27Å; S215-I217 WeakPolarHBondContact OG-CD1 3.27Å; S215-I217 WeakPolarHBondContact OG-CG1 3.24Å; S215-I217 PolarHBondContact OG-N 3.08Å; S215-E233 VanDerWaalsContact CA-OE2 3.23Å; S215-E233 WeakPolarHBondContact CA-OE2 3.33Å; S215-E233 VanDerWaalsContact CB-OE1 3.26Å; S215-E233 WeakPolarHBondContact CB-OE1 3.38Å; S215-E233 PolarHBondContact OG-OE1 3.22Å; S215-E233 PolarHBondContact OG-OE2 2.93Å; S215-H425 VanDerWaalsContact CB-CD2 3.49Å; S215-H425 WeakPolarHBondContact CB-CD2 3.39Å
216G94.3Very high94.9Very high0 Ų016.3 Ų16.30%010%0.097CC..  trans-72.36.3173.700000114.8M224 E233 T234G216-M224 WeakPolarHBondContact O-CB 3.27Å; G216-M224 WeakPolarHBondContact O-CE 3.44Å; G216-M224 PolarHBondContact O-N 3.42Å; G216-E233 PolarHBondContact N-OE2 3.49Å; G216-T234 VanDerWaalsContact CA-OG1 3.3Å; G216-T234 WeakPolarHBondContact CA-OG1 3.25Å
217I94.3Very high94.8Very high44 Ų4417.8 Ų17.823%0.22611%0.107CC..  trans-75.9125.4-178.1-66.4166000111.6Q209 S215 D223 N423Q209-I217 PolarHBondContact N-O 3.22Å; S215-I217 PolarHBondContact O-N 3.27Å; S215-I217 WeakPolarHBondContact OG-CD1 3.27Å; S215-I217 WeakPolarHBondContact OG-CG1 3.24Å; S215-I217 PolarHBondContact OG-N 3.08Å; I217-D223 WeakPolarHBondContact CA-OD1 3.34Å; I217-D223 WeakPolarHBondContact CG2-OD1 3.45Å; I217-N423 HydrophobicContact CB-CB 4.21Å; I217-N423 HydrophobicContact CD1-CB 3.61Å; I217-N423 HydrophobicContact CG2-CB 3.76Å; I217-N423 WeakPolarHBondContact CG2-ND2 3.26Å
218N96Very high94.8Very high0 Ų021.5 Ų21.50%012%0.124CC..  trans-136.4107.7174.5-173.7-47.6000110.8G175 T207 V220 F221 G222 D223 M224G175-N218 WeakPolarHBondContact CA-ND2 3.38Å; G175-N218 WeakPolarHBondContact CA-OD1 3.4Å; T207-N218 PolarHBondContact O-ND2 3.18Å; N218-V220 PolarHBondContact O-N 3.21Å; N218-V220 VanDerWaalsContact O-N 3.1Å; N218-V220 WeakPolarHBondContact OD1-CA 3.41Å; N218-V220 WeakPolarHBondContact OD1-CB 3.34Å; N218-V220 PolarHBondContact OD1-N 3.26Å; N218-F221 PolarHBondContact O-N 3.31Å; N218-F221 PolarHBondContact OD1-N 2.77Å; N218-F221 VanDerWaalsContact OD1-N 3.11Å; N218-G222 WeakPolarHBondContact CB-O 3.05Å; N218-G222 CarbonylContact O-C 3.27Å; N218-G222 WeakPolarHBondContact O-CA 3.25Å; N218-G222 PolarHBondContact O-N 3.2Å; N218-D223 PolarHBondContact N-OD1 2.97Å; N218-M224 HydrophobicContact CB-CE 4.35Å
219P95.2Very high94.9Very high20 Ų2023 Ų2313%0.1314%0.135CC..THydrogen-bonded Turntrans-63.7-18.8-177.5-26.936.1000116.2R58 P421R58-P219 PolarHBondContact NH2-O 2.82Å; P219-P421 HydrophobicContact CB-CB 4.49Å; P219-P421 HydrophobicContact CB-CG 3.54Å; P219-P421 HydrophobicContact CG-CG 3.95Å
220V96.5Very high95Very high2 Ų226.4 Ų26.41%0.01216%0.158CC..THydrogen-bonded Turntrans-83-54.5-179.6-179.50000109.8K57 R58 I177 C180 N218K57-V220 HydrophobicContact CG-CG1 4.23Å; R58-V220 PolarHBondContact NE-O 2.81Å; I177-V220 HydrophobicContact CG1-CG2 4.2Å; C180-V220 VanDerWaalsContact SG-CG1 3.6Å; N218-V220 PolarHBondContact O-N 3.21Å; N218-V220 VanDerWaalsContact O-N 3.1Å; N218-V220 WeakPolarHBondContact OD1-CA 3.41Å; N218-V220 WeakPolarHBondContact OD1-CB 3.34Å; N218-V220 PolarHBondContact OD1-N 3.26Å
221F95.9Very high95.2Very high34 Ų3432.1 Ų32.115%0.14919%0.185CC..THydrogen-bonded Turntrans-102-10.2-167.9-56.2-69000114.8I61 C128 T173 A206 N218I61-F221 HydrophobicContact CD1-CD1 3.7Å; I61-F221 HydrophobicContact CD1-CE1 3.58Å; C128-F221 VanDerWaalsContact CA-CD1 3.48Å; C128-F221 HydrophobicContact CB-CD1 3.86Å; C128-F221 HydrophobicContact CB-CD2 4.25Å; C128-F221 HydrophobicContact CB-CE1 3.54Å; C128-F221 HydrophobicContact CB-CE2 3.99Å; C128-F221 HydrophobicContact CB-CG 4.2Å; C128-F221 HydrophobicContact CB-CZ 3.62Å; C128-F221 WeakPolarHBondContact SG-CD2 3.28Å; C128-F221 WeakPolarHBondContact SG-CE2 3.41Å; C128-F221 VanDerWaalsContact SG-CZ 3.58Å; T173-F221 HydrophobicContact CG2-CE2 4.04Å; T173-F221 HydrophobicContact CG2-CZ 3.83Å; T173-F221 VanDerWaalsContact OG1-CE2 3.31Å; T173-F221 WeakPolarHBondContact OG1-CE2 3.28Å; A206-F221 HydrophobicContact CB-CB 4.18Å; A206-F221 HydrophobicContact CB-CD2 4.15Å; A206-F221 HydrophobicContact CB-CG 4.5Å; N218-F221 PolarHBondContact O-N 3.31Å; N218-F221 PolarHBondContact OD1-N 2.77Å; N218-F221 VanDerWaalsContact OD1-N 3.11Å
222G94.1Very high95.4Very high30 Ų3031.6 Ų31.631%0.30918%0.18SC..  trans107.1164.3-178.300000112.7N218N218-G222 WeakPolarHBondContact CB-O 3.05Å; N218-G222 CarbonylContact O-C 3.27Å; N218-G222 WeakPolarHBondContact O-CA 3.25Å; N218-G222 PolarHBondContact O-N 3.2Å
223D94.8Very high95.8Very high94 Ų9429.2 Ų29.250%0.50317%0.168SC..  trans-85.5141.3-176.5-63.9-13.8000110.5I217 N218I217-D223 WeakPolarHBondContact CA-OD1 3.34Å; I217-D223 WeakPolarHBondContact CG2-OD1 3.45Å; N218-D223 PolarHBondContact N-OD1 2.97Å
224M96Very high96.1Very high5 Ų528.9 Ų28.93%0.02517%0.165CC..  trans-108.9146-178-64.4168.8-78.400110.7G126 A206 G216 N218 T234 S239 G240 V243G126-M224 WeakPolarHBondContact CA-SD 3.46Å; A206-M224 HydrophobicContact CB-CE 3.92Å; A206-M224 HydrophobicContact CB-SD 3.98Å; G216-M224 WeakPolarHBondContact O-CB 3.27Å; G216-M224 WeakPolarHBondContact O-CE 3.44Å; G216-M224 PolarHBondContact O-N 3.42Å; N218-M224 HydrophobicContact CB-CE 4.35Å; M224-T234 HydrophobicContact CB-CG2 4.03Å; M224-S239 VanDerWaalsContact CE-CB 3.41Å; M224-G240 WeakPolarHBondContact SD-CA 3.43Å; M224-G240 PolarHBondContact SD-N 3.48Å; M224-G240 VanDerWaalsContact SD-N 3.39Å; M224-V243 HydrophobicContact CB-CG2 4.06Å
225S96.9Very high96.3Very high22 Ų2228.2 Ų28.215%0.15416%0.162CC..  trans-122.3149.4178.9-46.60000110.8N124 T234 V243 K509N124-S225 PolarHBondContact ND2-O 3.3Å; N124-S225 PolarHBondContact OD1-N 2.9Å; N124-S225 PolarHBondContact OD1-O 2.99Å; S225-T234 WeakPolarHBondContact O-CG2 3.41Å; S225-V243 WeakPolarHBondContact O-CG2 3.47Å; S225-K509 PolarHBondContact OG-NZ 3.14Å
226N98.3Very high96.3Very high3 Ų328.2 Ų28.22%0.01616%0.162CC..BIsolated β-bridgetrans-57.4134.1179.3-168.6-63.4000111H228 S229 H232 E233 F268 A506N226-H228 PolarHBondContact O-N 2.77Å; N226-H228 VanDerWaalsContact O-N 3.12Å; N226-H228 WeakPolarHBondContact OD1-CB 3.13Å; N226-H228 PolarHBondContact OD1-CD2 3.38Å; N226-H228 PolarHBondContact OD1-N 3.14Å; N226-S229 WeakPolarHBondContact CB-O 3.37Å; N226-S229 CarbonylContact O-C 3.47Å; N226-S229 PolarHBondContact O-N 2.86Å; N226-S229 VanDerWaalsContact O-N 3.07Å; N226-S229 VanDerWaalsContact O-O 3.11Å; N226-H232 HydrophobicContact CB-CB 4.12Å; N226-H232 WeakPolarHBondContact CB-O 3.5Å; N226-H232 PolarHBondContact N-O 2.94Å; N226-E233 PolarHBondContact ND2-O 3.44Å; N226-F268 PolarHBondContact ND2-O 3.37Å; N226-A506 WeakPolarHBondContact ND2-CB 3.36Å
227P97.3Very high96.4Very high31 Ų3128.3 Ų28.320%0.20116%0.163CC..THydrogen-bonded Turntrans-54.9-27.8177.4-29.838.2000114.6L247 C269P227-L247 HydrophobicContact CB-CD2 3.82Å; P227-L247 HydrophobicContact CB-CG 4.01Å; P227-L247 HydrophobicContact CG-CG 4.22Å; P227-C269 HydrophobicContact CG-CB 4.17Å
228H97.4Very high96.6Very high78 Ų7826.2 Ų26.236%0.36115%0.152SC..THydrogen-bonded Turntrans-93-14.1-178.2-56.4-84.9000112.9N226 C269 L577N226-H228 PolarHBondContact O-N 2.77Å; N226-H228 VanDerWaalsContact O-N 3.12Å; N226-H228 WeakPolarHBondContact OD1-CB 3.13Å; N226-H228 PolarHBondContact OD1-CD2 3.38Å; N226-H228 PolarHBondContact OD1-N 3.14Å; H228-C269 VanDerWaalsContact NE2-C 3.33Å; H228-C269 PolarHBondContact NE2-O 3.1Å; H228-L577 HydrophobicContact CB-CD2 4.02Å
229S97.3Very high96.7Very high32 Ų3226.2 Ų26.222%0.22415%0.152CC..BIsolated β-bridgetrans-166125.8178.3-177.10000113N226 E231 H232N226-S229 WeakPolarHBondContact CB-O 3.37Å; N226-S229 CarbonylContact O-C 3.47Å; N226-S229 PolarHBondContact O-N 2.86Å; N226-S229 VanDerWaalsContact O-N 3.07Å; N226-S229 VanDerWaalsContact O-O 3.11Å; S229-E231 PolarHBondContact O-N 3.07Å; S229-E231 VanDerWaalsContact O-N 3.16Å; S229-E231 PolarHBondContact OG-N 3.23Å; S229-H232 VanDerWaalsContact CB-ND1 3.31Å; S229-H232 WeakPolarHBondContact CB-ND1 3.41Å; S229-H232 PolarHBondContact O-N 3.42Å; S229-H232 PolarHBondContact OG-ND1 2.85Å
230S96.4Very high96.9Very high72 Ų7225.3 Ų25.350%0.50315%0.146SC..THydrogen-bonded Turntrans-61.7-23.8176.660.60000113.9K509S230-K509 WeakPolarHBondContact O-CE 3.4Å; S230-K509 PolarHBondContact O-NZ 2.81Å
231E96.8Very high97Very high119 Ų11925.2 Ų25.256%0.55615%0.145SC*.THydrogen-bonded Turntrans-87.4-5.8-176.3-58.4-47.6116.200113.4S229 P508 K509S229-E231 PolarHBondContact O-N 3.07Å; S229-E231 VanDerWaalsContact O-N 3.16Å; S229-E231 PolarHBondContact OG-N 3.23Å; E231-P508 CarbonylContact O-C 3.56Å; E231-P508 WeakPolarHBondContact O-CA 3.3Å; E231-K509 PolarHBondContact O-N 3.2Å
232H98.2Very high97.1Very high3 Ų323.6 Ų23.61%0.01414%0.138CC..BIsolated β-bridgetrans-113.6155.2-174.7-65.681.5000112.5N226 S229 A506 F507 T573 L577N226-H232 HydrophobicContact CB-CB 4.12Å; N226-H232 WeakPolarHBondContact CB-O 3.5Å; N226-H232 PolarHBondContact N-O 2.94Å; S229-H232 VanDerWaalsContact CB-ND1 3.31Å; S229-H232 WeakPolarHBondContact CB-ND1 3.41Å; S229-H232 PolarHBondContact O-N 3.42Å; S229-H232 PolarHBondContact OG-ND1 2.85Å; H232-A506 HydrophobicContact CB-CB 4.1Å; H232-A506 PolarHBondContact CD2-O 2.83Å; H232-F507 WeakPolarHBondContact CA-O 3.25Å; H232-F507 VanDerWaalsContact CD2-C 3.49Å; H232-T573 PolarHBondContact CE1-O 2.88Å; H232-T573 PolarHBondContact CE1-OG1 2.83Å; H232-T573 PolarHBondContact NE2-O 3.36Å; H232-T573 PolarHBondContact NE2-OG1 3.12Å; H232-L577 HydrophobicContact CB-CD1 4.42Å; H232-L577 VanDerWaalsContact CD2-CD1 3.49Å; H232-L577 WeakPolarHBondContact CD2-CD1 3.41Å
233E97.5Very high97.3Very high4 Ų422.1 Ų22.12%0.01912%0.123CC..  trans-76.5149179.8-72.6-72.8-166.600112S215 G216 N226 G235 A506 F507 K509S215-E233 VanDerWaalsContact CA-OE2 3.23Å; S215-E233 WeakPolarHBondContact CA-OE2 3.33Å; S215-E233 VanDerWaalsContact CB-OE1 3.26Å; S215-E233 WeakPolarHBondContact CB-OE1 3.38Å; S215-E233 PolarHBondContact OG-OE1 3.22Å; S215-E233 PolarHBondContact OG-OE2 2.93Å; G216-E233 PolarHBondContact N-OE2 3.49Å; N226-E233 PolarHBondContact ND2-O 3.44Å; E233-G235 VanDerWaalsContact C-N 3.26Å; E233-G235 PolarHBondContact O-N 3.05Å; E233-A506 WeakPolarHBondContact O-CB 3.45Å; E233-F507 HydrophobicContact CB-CD2 4.15Å; E233-F507 HydrophobicContact CB-CE1 4.47Å; E233-F507 HydrophobicContact CB-CE2 3.89Å; E233-F507 HydrophobicContact CB-CZ 4.06Å; E233-F507 HydrophobicContact CG-CD2 3.86Å; E233-F507 HydrophobicContact CG-CE2 3.5Å; E233-F507 HydrophobicContact CG-CZ 4.09Å; E233-F507 PolarHBondContact N-O 3.17Å; E233-K509 HydrophobicContact CG-CG 4.09Å
234T97.6Very high97.5Very high0 Ų017.7 Ų17.70%010%0.099CC..  trans-78.9-14.4179.450.60000112.5G216 M224 S225 S239 V243 P265 C269G216-T234 VanDerWaalsContact CA-OG1 3.3Å; G216-T234 WeakPolarHBondContact CA-OG1 3.25Å; M224-T234 HydrophobicContact CB-CG2 4.03Å; S225-T234 WeakPolarHBondContact O-CG2 3.41Å; T234-S239 VanDerWaalsContact OG1-CB 3.26Å; T234-S239 WeakPolarHBondContact OG1-CB 3.26Å; T234-S239 PolarHBondContact OG1-OG 2.97Å; T234-V243 HydrophobicContact CG2-CG2 3.4Å; T234-P265 VanDerWaalsContact O-CA 3.28Å; T234-P265 WeakPolarHBondContact O-CA 3.42Å; T234-C269 PolarHBondContact O-SG 3.05Å; T234-C269 VanDerWaalsContact O-SG 3.37Å
235G97.3Very high97.6Very high0 Ų017.4 Ų17.40%010%0.098CC..  trans77172.9-16500000110.2L214 E233 S239 F268L214-G235 CarbonylContact O-C 3.6Å; L214-G235 VanDerWaalsContact O-CA 3.28Å; L214-G235 WeakPolarHBondContact O-CA 3.46Å; L214-G235 PolarHBondContact O-N 3.36Å; E233-G235 VanDerWaalsContact C-N 3.26Å; E233-G235 PolarHBondContact O-N 3.05Å; G235-S239 PolarHBondContact O-OG 2.81Å; G235-F268 VanDerWaalsContact CA-CD2 3.49Å
236G95.3Very high97.6Very high0 Ų017.5 Ų17.50%010%0.102CC..SBendtrans-163165.4-173.300000114.4S261G236-S261 VanDerWaalsContact O-CA 3.3Å; G236-S261 WeakPolarHBondContact O-CA 3.49Å; G236-S261 PolarHBondContact O-OG 2.92Å
237S95.9Very high97.6Very high2 Ų219.4 Ų19.41%0.01411%0.112CC..SBendcis-96.90.711.560.70000116.6K162 T207 S208 A211 S239 S261K162-S237 PolarHBondContact NZ-OG 3.39Å; T207-S237 CarbonylContact C-O 3.59Å; T207-S237 WeakPolarHBondContact CA-O 3.35Å; T207-S237 WeakPolarHBondContact CB-O 3.31Å; T207-S237 WeakPolarHBondContact OG1-CB 3.36Å; T207-S237 PolarHBondContact OG1-O 3.35Å; S208-S237 PolarHBondContact N-O 3.29Å; S208-S237 WeakPolarHBondContact OG-CA 3.42Å; A211-S237 WeakPolarHBondContact O-CB 3.48Å; A211-S237 PolarHBondContact O-OG 3.44Å; A211-S237 VanDerWaalsContact O-OG 3.14Å; S237-S239 PolarHBondContact O-N 3.42Å; S237-S239 VanDerWaalsContact O-N 3.1Å; S237-S261 PolarHBondContact N-OG 2.84Å; S237-S261 WeakPolarHBondContact OG-CB 3.36Å; S237-S261 PolarHBondContact OG-OG 3.01Å
238S98.5Very high97.5Very high0 Ų022.8 Ų22.80%012%0.121CC..SBendtrans-84.845.1175.2-42.70000111.5K162 G240 E241 G242 T256 S261K162-S238 WeakPolarHBondContact CD-OG 3.32Å; K162-S238 PolarHBondContact NZ-OG 2.87Å; S238-G240 VanDerWaalsContact C-N 3.32Å; S238-G240 PolarHBondContact O-N 3.07Å; S238-E241 PolarHBondContact O-N 2.88Å; S238-G242 PolarHBondContact O-N 3.05Å; S238-T256 PolarHBondContact OG-N 3.27Å; S238-T256 PolarHBondContact OG-O 3.29Å; S238-S261 WeakPolarHBondContact CB-O 3.21Å; S238-S261 PolarHBondContact N-O 3.3Å; S238-S261 PolarHBondContact OG-O 3.43Å
239S98.1Very high97.6Very high0 Ų019 Ų190%010%0.104CC..Hα-helixtrans-56.6-43-176-57.40000112.7S208 M224 T234 G235 S237 G242 V243S208-S239 PolarHBondContact OG-OG 2.96Å; M224-S239 VanDerWaalsContact CE-CB 3.41Å; T234-S239 VanDerWaalsContact OG1-CB 3.26Å; T234-S239 WeakPolarHBondContact OG1-CB 3.26Å; T234-S239 PolarHBondContact OG1-OG 2.97Å; G235-S239 PolarHBondContact O-OG 2.81Å; S237-S239 PolarHBondContact O-N 3.42Å; S237-S239 VanDerWaalsContact O-N 3.1Å; S239-G242 WeakPolarHBondContact O-CA 3.44Å; S239-G242 PolarHBondContact O-N 3.23Å; S239-G242 VanDerWaalsContact O-N 3.15Å; S239-V243 PolarHBondContact O-N 3.44Å
240G98.3Very high97.6Very high0 Ų017.5 Ų17.50%09%0.093CC..Hα-helixtrans-66.4-38.4-179.600000113.1G126 A206 M224 S238 G242 V243 L244G126-G240 WeakPolarHBondContact O-CA 3.24Å; A206-G240 WeakPolarHBondContact O-CA 3.24Å; A206-G240 PolarHBondContact O-N 3.27Å; M224-G240 WeakPolarHBondContact SD-CA 3.43Å; M224-G240 PolarHBondContact SD-N 3.48Å; M224-G240 VanDerWaalsContact SD-N 3.39Å; S238-G240 VanDerWaalsContact C-N 3.32Å; S238-G240 PolarHBondContact O-N 3.07Å; G240-G242 VanDerWaalsContact C-N 3.33Å; G240-V243 PolarHBondContact O-N 2.85Å; G240-L244 VanDerWaalsContact O-CB 3.25Å; G240-L244 WeakPolarHBondContact O-CB 3.41Å; G240-L244 PolarHBondContact O-N 3.27Å
241E98.8Very high97.7Very high0 Ų014.2 Ų14.20%07%0.07CC..Hα-helixtrans-60.4-44.8169.7-68.3-57.9142.900110.9S160 L161 K162 T205 S238 V243 L244 L245 G253 M304S160-E241 WeakPolarHBondContact CB-OE2 3.46Å; S160-E241 PolarHBondContact OG-OE2 3.21Å; L161-E241 WeakPolarHBondContact CA-OE1 3.31Å; L161-E241 PolarHBondContact N-OE1 3.33Å; K162-E241 HydrophobicContact CB-CG 4.36Å; K162-E241 PolarHBondContact N-OE1 2.98Å; T205-E241 WeakPolarHBondContact CB-OE1 3.34Å; T205-E241 WeakPolarHBondContact CG2-OE1 3.38Å; T205-E241 VanDerWaalsContact OG1-CD 3.23Å; T205-E241 WeakPolarHBondContact OG1-CG 3.17Å; T205-E241 PolarHBondContact OG1-N 2.83Å; T205-E241 PolarHBondContact OG1-OE1 2.8Å; S238-E241 PolarHBondContact O-N 2.88Å; E241-V243 VanDerWaalsContact C-N 3.32Å; E241-V243 PolarHBondContact O-N 2.74Å; E241-L244 PolarHBondContact O-N 3.28Å; E241-L245 HydrophobicContact CB-CD1 4.33Å; E241-L245 VanDerWaalsContact O-CB 3.23Å; E241-L245 WeakPolarHBondContact O-CB 3.48Å; E241-L245 WeakPolarHBondContact O-CD1 3.49Å; E241-L245 VanDerWaalsContact O-CG 3.28Å; E241-L245 WeakPolarHBondContact O-CG 3.41Å; E241-L245 PolarHBondContact O-N 3.29Å; E241-G253 WeakPolarHBondContact OE2-CA 3.17Å; E241-M304 HydrophobicContact CB-CE 3.8Å; E241-M304 HydrophobicContact CB-SD 3.67Å; E241-M304 HydrophobicContact CG-SD 4.18Å
242G98.6Very high97.7Very high0 Ų08.5 Ų8.50%04%0.043CC..Hα-helixtrans-56.1-45.117700000112.9S238 S239 G240 G246 C269 L271S238-G242 PolarHBondContact O-N 3.05Å; S239-G242 WeakPolarHBondContact O-CA 3.44Å; S239-G242 PolarHBondContact O-N 3.23Å; S239-G242 VanDerWaalsContact O-N 3.15Å; G240-G242 VanDerWaalsContact C-N 3.33Å; G242-G246 PolarHBondContact O-N 2.95Å; G242-G246 VanDerWaalsContact O-N 3.12Å; G242-C269 WeakPolarHBondContact O-CB 3.41Å; G242-L271 WeakPolarHBondContact O-CD1 3.35Å
243V98.4Very high97.8Very high0 Ų08.4 Ų8.40%04%0.043CC..Hα-helixtrans-71.3-52.3178.4176.10000112N124 M224 S225 T234 S239 G240 E241 L245 G246 L247N124-V243 WeakPolarHBondContact O-CG1 3.26Å; M224-V243 HydrophobicContact CB-CG2 4.06Å; S225-V243 WeakPolarHBondContact O-CG2 3.47Å; T234-V243 HydrophobicContact CG2-CG2 3.4Å; S239-V243 PolarHBondContact O-N 3.44Å; G240-V243 PolarHBondContact O-N 2.85Å; E241-V243 VanDerWaalsContact C-N 3.32Å; E241-V243 PolarHBondContact O-N 2.74Å; V243-L245 PolarHBondContact O-N 2.62Å; V243-G246 PolarHBondContact O-N 3.07Å; V243-L247 HydrophobicContact CG1-CD1 3.73Å; V243-L247 HydrophobicContact CG1-CG 4.47Å; V243-L247 WeakPolarHBondContact O-CB 3.48Å; V243-L247 WeakPolarHBondContact O-CG 3.14Å; V243-L247 PolarHBondContact O-N 2.7Å
244L98.5Very high97.8Very high0 Ų08.2 Ų8.20%04%0.042CC..Hα-helixtrans-62.9-43.8-173.7-172.170.2000111.4A116 L119 I127 V203 T205 G240 E241 R248 G249A116-L244 HydrophobicContact CB-CD1 4.24Å; L119-L244 HydrophobicContact CD1-CD1 4.21Å; I127-L244 HydrophobicContact CD1-CD1 4.04Å; I127-L244 HydrophobicContact CG1-CD1 4Å; V203-L244 HydrophobicContact CG1-CD2 3.66Å; T205-L244 HydrophobicContact CG2-CB 4.38Å; T205-L244 HydrophobicContact CG2-CD2 3.68Å; G240-L244 VanDerWaalsContact O-CB 3.25Å; G240-L244 WeakPolarHBondContact O-CB 3.41Å; G240-L244 PolarHBondContact O-N 3.27Å; E241-L244 PolarHBondContact O-N 3.28Å; L244-R248 PolarHBondContact O-N 3.28Å; L244-G249 WeakPolarHBondContact O-CA 3.26Å; L244-G249 PolarHBondContact O-N 2.72Å
245L98.4Very high97.9Very high0 Ų08.2 Ų8.20%04%0.042CC..Hα-helixtrans-69.4-43176.8-66.5167.4000111.4E241 V243 L247 R248 L271 M304E241-L245 HydrophobicContact CB-CD1 4.33Å; E241-L245 VanDerWaalsContact O-CB 3.23Å; E241-L245 WeakPolarHBondContact O-CB 3.48Å; E241-L245 WeakPolarHBondContact O-CD1 3.49Å; E241-L245 VanDerWaalsContact O-CG 3.28Å; E241-L245 WeakPolarHBondContact O-CG 3.41Å; E241-L245 PolarHBondContact O-N 3.29Å; V243-L245 PolarHBondContact O-N 2.62Å; L245-L247 VanDerWaalsContact C-N 3.26Å; L245-L247 PolarHBondContact O-N 2.84Å; L245-R248 PolarHBondContact O-N 2.89Å; L245-R248 VanDerWaalsContact O-N 3.08Å; L245-L271 HydrophobicContact CB-CD1 3.65Å; L245-L271 HydrophobicContact CB-CD2 3.9Å; L245-L271 HydrophobicContact CB-CG 4.44Å; L245-L271 HydrophobicContact CD1-CD1 4.29Å; L245-M304 HydrophobicContact CD1-CB 3.51Å
246G97.3Very high97.9Very high23 Ų238.4 Ų8.424%0.2374%0.043CC..Hα-helixtrans-62.4-32.6179.500000113.2G242 V243G242-G246 PolarHBondContact O-N 2.95Å; G242-G246 VanDerWaalsContact O-N 3.12Å; V243-G246 PolarHBondContact O-N 3.07Å
247L97.1Very high98Very high44 Ų448.4 Ų8.423%0.234%0.043CC..THydrogen-bonded Turntrans-95.914.9176.5-62.6176.4000113.6K115 L119 N124 P227 V243 L245 G249K115-L247 WeakPolarHBondContact CE-O 3.47Å; L119-L247 HydrophobicContact CD1-CB 3.64Å; L119-L247 HydrophobicContact CD1-CD1 4.42Å; L119-L247 HydrophobicContact CD2-CB 3.89Å; L119-L247 HydrophobicContact CD2-CD1 3.87Å; L119-L247 HydrophobicContact CD2-CG 4.44Å; L119-L247 HydrophobicContact CG-CB 4.43Å; N124-L247 WeakPolarHBondContact O-CD1 3.37Å; P227-L247 HydrophobicContact CB-CD2 3.82Å; P227-L247 HydrophobicContact CB-CG 4.01Å; P227-L247 HydrophobicContact CG-CG 4.22Å; V243-L247 HydrophobicContact CG1-CD1 3.73Å; V243-L247 HydrophobicContact CG1-CG 4.47Å; V243-L247 WeakPolarHBondContact O-CB 3.48Å; V243-L247 WeakPolarHBondContact O-CG 3.14Å; V243-L247 PolarHBondContact O-N 2.7Å; L245-L247 VanDerWaalsContact C-N 3.26Å; L245-L247 PolarHBondContact O-N 2.84Å; L247-G249 PolarHBondContact O-N 3.31Å
248R96.9Very high97.9Very high101 Ų10110 Ų1038%0.3815%0.051SC..THydrogen-bonded Turntrans62.719.9175.7-49.8179.2179.6-174.9-4.1115.4D88 Y112 L244 L245 S250 R306D88-R248 VanDerWaalsContact CG-NH1 3.31Å; D88-R248 WeakPolarHBondContact OD1-CD 3.46Å; D88-R248 IonicContact OD1-CZ 3.67Å; D88-R248 IonicContact OD1-NE 3.33Å; D88-R248 IonicContact OD1-NH1 3.66Å; D88-R248 PolarHBondContact OD1-NH1 2.59Å; Y112-R248 WeakPolarHBondContact CE1-O 3.19Å; L244-R248 PolarHBondContact O-N 3.28Å; L245-R248 PolarHBondContact O-N 2.89Å; L245-R248 VanDerWaalsContact O-N 3.08Å; R248-S250 PolarHBondContact O-N 2.88Å; R248-R306 VanDerWaalsContact CA-NH1 3.34Å
249G97.6Very high97.6Very high0 Ų010.9 Ų10.90%06%0.059CC..SBendtrans-74.7-5.8174.500000114.5Y112 F202 L244 L247Y112-G249 WeakPolarHBondContact CD1-O 3.26Å; F202-G249 WeakPolarHBondContact CZ-O 3.29Å; L244-G249 WeakPolarHBondContact O-CA 3.26Å; L244-G249 PolarHBondContact O-N 2.72Å; L247-G249 PolarHBondContact O-N 3.31Å
250S98.4Very high97.6Very high0 Ų010.9 Ų10.90%06%0.059CC..  trans-151.3150.8170.3-1790000110.1S160 R248 V252 R306S160-S250 PolarHBondContact N-OG 2.94Å; S160-S250 PolarHBondContact OG-OG 2.78Å; R248-S250 PolarHBondContact O-N 2.88Å; S250-V252 PolarHBondContact OG-O 3.19Å; S250-R306 PolarHBondContact O-NH1 2.63Å
251P97.6Very high97.6Very high2 Ų211.5 Ų11.51%0.0136%0.063CC..SBendtrans-78.3-36.7173.826.7-26.4000112.3L91 Y112 I157 P158L91-P251 HydrophobicContact CD1-CB 4.43Å; Y112-P251 HydrophobicContact CD2-CG 4.46Å; Y112-P251 HydrophobicContact CE1-CG 4.41Å; Y112-P251 HydrophobicContact CE2-CB 4.31Å; Y112-P251 HydrophobicContact CE2-CG 3.77Å; Y112-P251 VanDerWaalsContact CZ-CD 3.43Å; Y112-P251 WeakPolarHBondContact OH-CB 3.47Å; I157-P251 HydrophobicContact CG2-CG 3.81Å; P158-P251 WeakPolarHBondContact O-CD 3.47Å; P158-P251 WeakPolarHBondContact O-CG 3.29Å
252V98.6Very high97.6Very high0 Ų011.5 Ų11.50%06%0.063CC..EExtended strand (participates in β ladder)trans-150.8149.5-177.1-77.20000111L91 I157 V159 S160 S250 D310 L314L91-V252 HydrophobicContact CD2-CG1 3.93Å; I157-V252 HydrophobicContact CG2-CG2 4.48Å; V159-V252 HydrophobicContact CG1-CG2 4.48Å; V159-V252 HydrophobicContact CG2-CG2 4.03Å; S160-V252 PolarHBondContact N-O 3.36Å; S160-V252 VanDerWaalsContact N-O 3.1Å; S160-V252 PolarHBondContact OG-O 3.34Å; S250-V252 PolarHBondContact OG-O 3.19Å; V252-D310 HydrophobicContact CG1-CB 3.56Å; V252-L314 HydrophobicContact CB-CD2 4.31Å
253G98.7Very high97.6Very high0 Ų011.5 Ų11.50%06%0.063CC..EExtended strand (participates in β ladder)trans-140.3165.1-176.400000114.3S160 E241 M304 L314S160-G253 CarbonylContact O-C 3.5Å; S160-G253 VanDerWaalsContact O-CA 3.25Å; S160-G253 WeakPolarHBondContact O-CA 3.43Å; S160-G253 VanDerWaalsContact OG-CA 3.27Å; S160-G253 WeakPolarHBondContact OG-CA 3.38Å; E241-G253 WeakPolarHBondContact OE2-CA 3.17Å; G253-M304 PolarHBondContact N-O 3.4Å; G253-M304 PolarHBondContact O-N 2.79Å; G253-L314 WeakPolarHBondContact O-CD2 3.32Å
254I98.8Very high97.6Very high0 Ų011.5 Ų11.50%06%0.063CC..EExtended strand (participates in β ladder)trans-115.8118.7175.6-63.7-71.1000110.2V159 S160 L161 K162 I190 L194 V301 L314 L318V159-I254 HydrophobicContact CG1-CG1 4.36Å; S160-I254 PolarHBondContact O-N 3.16Å; L161-I254 HydrophobicContact CD2-CB 3.67Å; L161-I254 HydrophobicContact CD2-CG1 3.63Å; L161-I254 HydrophobicContact CD2-CG2 4.48Å; K162-I254 VanDerWaalsContact CB-O 3.27Å; K162-I254 WeakPolarHBondContact CB-O 3.26Å; K162-I254 PolarHBondContact N-O 3.13Å; I190-I254 HydrophobicContact CG2-CG1 4.45Å; I190-I254 HydrophobicContact CG2-CG2 4.46Å; L194-I254 HydrophobicContact CD1-CG1 4.48Å; I254-V301 HydrophobicContact CG2-CG1 3.31Å; I254-L314 HydrophobicContact CD1-CD1 4.15Å; I254-L314 HydrophobicContact CD1-CD2 3.44Å; I254-L314 VanDerWaalsContact CD1-CD2 3.44Å; I254-L314 HydrophobicContact CD1-CG 3.88Å; I254-L314 HydrophobicContact CG1-CD2 4.11Å; I254-L318 HydrophobicContact CD1-CD1 3.82Å
255G98.5Very high97.6Very high0 Ų011.5 Ų11.50%06%0.063CC..EExtended strand (participates in β ladder)trans-103.9178.1172.600000112.9G302G255-G302 PolarHBondContact N-O 3.32Å; G255-G302 PolarHBondContact O-N 2.81Å
256T97.5Very high97.6Very high5 Ų511.5 Ų11.53%0.0316%0.063CC..EExtended strand (participates in β ladder)trans-130.9146.1168.771.30000110.8K162 L164 S238 S261 V286 V299 C300 V301K162-T256 HydrophobicContact CD-CG2 4.09Å; K162-T256 PolarHBondContact NZ-O 3.02Å; K162-T256 PolarHBondContact NZ-OG1 2.63Å; L164-T256 HydrophobicContact CB-CG2 4.35Å; S238-T256 PolarHBondContact OG-N 3.27Å; S238-T256 PolarHBondContact OG-O 3.29Å; T256-S261 CarbonylContact O-C 3.57Å; T256-S261 VanDerWaalsContact O-C 3.23Å; T256-S261 WeakPolarHBondContact O-CB 3.33Å; T256-V286 HydrophobicContact CG2-CG1 4.03Å; T256-V299 HydrophobicContact CG2-CG1 4.39Å; T256-C300 CarbonylContact C-O 3.49Å; T256-C300 VanDerWaalsContact CA-O 3.24Å; T256-C300 WeakPolarHBondContact CA-O 3.4Å; T256-V301 HydrophobicContact CG2-CG2 4.23Å
257D97.2Very high97.7Very high0 Ų010.8 Ų10.80%05%0.054CC..EExtended strand (participates in β ladder)trans-136.6113.6-173.3-169.2-46000111.2A259 G260 S261 I262 R263 K275 C300 N527D257-A259 PolarHBondContact OD1-N 3.49Å; D257-G260 WeakPolarHBondContact OD1-CA 3.26Å; D257-G260 PolarHBondContact OD1-N 3.2Å; D257-G260 WeakPolarHBondContact OD2-CA 3.26Å; D257-S261 VanDerWaalsContact CG-N 3.32Å; D257-S261 PolarHBondContact OD2-N 2.74Å; D257-I262 HydrophobicContact CB-CB 4Å; D257-I262 HydrophobicContact CB-CD1 3.81Å; D257-I262 HydrophobicContact CB-CG1 3.88Å; D257-I262 PolarHBondContact OD2-N 2.96Å; D257-R263 IonicContact OD1-CZ 3.39Å; D257-R263 IonicContact OD1-NE 3.91Å; D257-R263 IonicContact OD1-NH2 2.89Å; D257-R263 PolarHBondContact OD1-NH2 2.63Å; D257-R263 IonicContact OD2-CZ 2.65Å; D257-R263 IonicContact OD2-NE 2.67Å; D257-R263 PolarHBondContact OD2-NE 3.37Å; D257-R263 IonicContact OD2-NH2 2.77Å; D257-R263 PolarHBondContact OD2-NH2 3.13Å; D257-K275 HydrophobicContact CB-CB 4.22Å; D257-K275 HydrophobicContact CB-CG 3.88Å; D257-C300 PolarHBondContact N-O 2.87Å; D257-C300 PolarHBondContact O-N 3.12Å; D257-N527 PolarHBondContact OD1-ND2 2.84Å
258L93.5Very high97.8Very high36 Ų368.8 Ų8.819%0.1884%0.043CC..SBendtrans-105.7-31.7169.3-177.960.7000112.4L212 L297 V299 I405 N527L212-L258 HydrophobicContact CD2-CD2 4.45Å; L258-L297 HydrophobicContact CD1-CB 4.18Å; L258-V299 HydrophobicContact CB-CG2 4.21Å; L258-V299 HydrophobicContact CD1-CG2 4.1Å; L258-I405 HydrophobicContact CD2-CG2 4.49Å; L258-N527 VanDerWaalsContact C-ND2 3.26Å; L258-N527 WeakPolarHBondContact O-CB 3.35Å; L258-N527 PolarHBondContact O-ND2 3.23Å; L258-N527 VanDerWaalsContact O-ND2 3.1Å; L258-N527 PolarHBondContact O-OD1 2.97Å
259A94.1Very high97.8Very high18 Ų184 Ų415%0.1493%0.025CC..SBendtrans-153.238.2-17300000111.1D257 I405 T523 N527D257-A259 PolarHBondContact OD1-N 3.49Å; A259-I405 HydrophobicContact CB-CD1 3.62Å; A259-T523 PolarHBondContact O-OG1 3.11Å; A259-T523 VanDerWaalsContact O-OG1 3.05Å; A259-N527 WeakPolarHBondContact CA-OD1 3.27Å
260G97.3Very high97.9Very high0 Ų05.1 Ų5.10%04%0.037CC..SBendtrans1049.4-17800000115.1D257 I262 R263 I264D257-G260 WeakPolarHBondContact OD1-CA 3.26Å; D257-G260 PolarHBondContact OD1-N 3.2Å; D257-G260 WeakPolarHBondContact OD2-CA 3.26Å; G260-I262 PolarHBondContact O-N 3.12Å; G260-I262 VanDerWaalsContact O-N 3.13Å; G260-R263 VanDerWaalsContact N-NH2 3.15Å; G260-R263 PolarHBondContact O-N 3.37Å; G260-R263 VanDerWaalsContact O-N 3.07Å; G260-I264 WeakPolarHBondContact O-CB 3.29Å; G260-I264 VanDerWaalsContact O-CG1 3.26Å; G260-I264 WeakPolarHBondContact O-CG1 3.37Å; G260-I264 PolarHBondContact O-N 2.66Å
261S97.7Very high97.9Very high12 Ų125.3 Ų5.38%0.0844%0.038CC..THydrogen-bonded Turntrans-72.4-5.2-169.8-630000117G236 S237 S238 T256 D257 P265G236-S261 VanDerWaalsContact O-CA 3.3Å; G236-S261 WeakPolarHBondContact O-CA 3.49Å; G236-S261 PolarHBondContact O-OG 2.92Å; S237-S261 PolarHBondContact N-OG 2.84Å; S237-S261 WeakPolarHBondContact OG-CB 3.36Å; S237-S261 PolarHBondContact OG-OG 3.01Å; S238-S261 WeakPolarHBondContact CB-O 3.21Å; S238-S261 PolarHBondContact N-O 3.3Å; S238-S261 PolarHBondContact OG-O 3.43Å; T256-S261 CarbonylContact O-C 3.57Å; T256-S261 VanDerWaalsContact O-C 3.23Å; T256-S261 WeakPolarHBondContact O-CB 3.33Å; D257-S261 VanDerWaalsContact CG-N 3.32Å; D257-S261 PolarHBondContact OD2-N 2.74Å; S261-P265 VanDerWaalsContact O-CG 3.23Å; S261-P265 WeakPolarHBondContact O-CG 3.46Å
262I98.9Very high97.9Very high0 Ų05.2 Ų5.20%04%0.037CC..THydrogen-bonded Turntrans-96.4-48.7161.5-74.4165.5000109.2D257 G260 I264 P265 S266 M304D257-I262 HydrophobicContact CB-CB 4Å; D257-I262 HydrophobicContact CB-CD1 3.81Å; D257-I262 HydrophobicContact CB-CG1 3.88Å; D257-I262 PolarHBondContact OD2-N 2.96Å; G260-I262 PolarHBondContact O-N 3.12Å; G260-I262 VanDerWaalsContact O-N 3.13Å; I262-I264 PolarHBondContact O-N 3.21Å; I262-P265 WeakPolarHBondContact O-CD 3.43Å; I262-P265 WeakPolarHBondContact O-CG 3.13Å; I262-S266 WeakPolarHBondContact O-CB 3.34Å; I262-S266 PolarHBondContact O-N 3.32Å; I262-S266 PolarHBondContact O-OG 3.36Å; I262-S266 VanDerWaalsContact O-OG 3.07Å; I262-M304 HydrophobicContact CG1-CG 4.49Å; I262-M304 HydrophobicContact CG1-SD 4.36Å; I262-M304 HydrophobicContact CG2-CG 3.78Å; I262-M304 HydrophobicContact CG2-SD 4.34Å
263R98.8Very high97.9Very high0 Ų05.2 Ų5.20%04%0.037CC..Hα-helixtrans-66-42.3-169.7-65173.8-78.1162.8-1.7114D257 G260 S266 V267 K275 V501 T523 N527 T535D257-R263 IonicContact OD1-CZ 3.39Å; D257-R263 IonicContact OD1-NE 3.91Å; D257-R263 IonicContact OD1-NH2 2.89Å; D257-R263 PolarHBondContact OD1-NH2 2.63Å; D257-R263 IonicContact OD2-CZ 2.65Å; D257-R263 IonicContact OD2-NE 2.67Å; D257-R263 PolarHBondContact OD2-NE 3.37Å; D257-R263 IonicContact OD2-NH2 2.77Å; D257-R263 PolarHBondContact OD2-NH2 3.13Å; G260-R263 VanDerWaalsContact N-NH2 3.15Å; G260-R263 PolarHBondContact O-N 3.37Å; G260-R263 VanDerWaalsContact O-N 3.07Å; R263-S266 PolarHBondContact O-N 3.32Å; R263-V267 WeakPolarHBondContact O-CG1 3.49Å; R263-V267 PolarHBondContact O-N 3.2Å; R263-K275 HydrophobicContact CG-CB 4.45Å; R263-V501 HydrophobicContact CB-CG1 3.88Å; R263-T523 HydrophobicContact CB-CG2 4.41Å; R263-T523 VanDerWaalsContact NH1-CA 3.31Å; R263-T523 PolarHBondContact NH1-O 3.07Å; R263-T523 PolarHBondContact NH2-O 3.18Å; R263-T523 VanDerWaalsContact NH2-O 3.14Å; R263-N527 PolarHBondContact NH2-OD1 3.35Å; R263-T535 HydrophobicContact CB-CG2 3.53Å; R263-T535 HydrophobicContact CG-CG2 3.7Å
264I98.7Very high97.9Very high0 Ų05.2 Ų5.20%04%0.037CC..Hα-helixtrans-67.1-53.8-178.9-59.4167.6000111.1L214 G260 I262 S266 V267 F268 F502 V520 T523L214-I264 HydrophobicContact CD2-CD1 3.66Å; L214-I264 HydrophobicContact CD2-CG2 4.46Å; G260-I264 WeakPolarHBondContact O-CB 3.29Å; G260-I264 VanDerWaalsContact O-CG1 3.26Å; G260-I264 WeakPolarHBondContact O-CG1 3.37Å; G260-I264 PolarHBondContact O-N 2.66Å; I262-I264 PolarHBondContact O-N 3.21Å; I264-S266 VanDerWaalsContact C-N 3.26Å; I264-S266 PolarHBondContact O-N 3.16Å; I264-V267 WeakPolarHBondContact O-CG1 3.26Å; I264-V267 PolarHBondContact O-N 3.38Å; I264-F268 HydrophobicContact CG2-CD2 4.12Å; I264-F268 HydrophobicContact CG2-CE1 4.39Å; I264-F268 HydrophobicContact CG2-CE2 3.91Å; I264-F268 HydrophobicContact CG2-CG 4.43Å; I264-F268 HydrophobicContact CG2-CZ 4.05Å; I264-F268 WeakPolarHBondContact O-CB 3.34Å; I264-F268 WeakPolarHBondContact O-CG 3.4Å; I264-F268 PolarHBondContact O-N 3.39Å; I264-F502 HydrophobicContact CD1-CD2 4.36Å; I264-F502 HydrophobicContact CD1-CE2 4.05Å; I264-F502 HydrophobicContact CG1-CD2 4.2Å; I264-F502 HydrophobicContact CG1-CE2 4.36Å; I264-V520 HydrophobicContact CD1-CG1 4.42Å; I264-T523 HydrophobicContact CD1-CG2 4.47Å; I264-T523 HydrophobicContact CG1-CG2 4.12Å
265P98.7Very high97.9Very high0 Ų05.3 Ų5.30%04%0.038CC..Hα-helixtrans-64.8-31.7176.424.2-31.9000112.7T234 S261 I262 C269 M304T234-P265 VanDerWaalsContact O-CA 3.28Å; T234-P265 WeakPolarHBondContact O-CA 3.42Å; S261-P265 VanDerWaalsContact O-CG 3.23Å; S261-P265 WeakPolarHBondContact O-CG 3.46Å; I262-P265 WeakPolarHBondContact O-CD 3.43Å; I262-P265 WeakPolarHBondContact O-CG 3.13Å; P265-C269 VanDerWaalsContact O-CB 3.22Å; P265-C269 WeakPolarHBondContact O-CB 3.16Å; P265-C269 PolarHBondContact O-N 3.32Å; P265-C269 PolarHBondContact O-SG 2.98Å; P265-C269 VanDerWaalsContact O-SG 3.35Å; P265-M304 HydrophobicContact CB-CE 4.27Å; P265-M304 HydrophobicContact CG-CE 4.06Å
266S98.8Very high97.9Very high0 Ų05.3 Ų5.30%04%0.038CC..Hα-helixtrans-60.5-55.2173.4-74.10000111.8I262 R263 I264 F268 C269 G270 L271 V272 G273 T535I262-S266 WeakPolarHBondContact O-CB 3.34Å; I262-S266 PolarHBondContact O-N 3.32Å; I262-S266 PolarHBondContact O-OG 3.36Å; I262-S266 VanDerWaalsContact O-OG 3.07Å; R263-S266 PolarHBondContact O-N 3.32Å; I264-S266 VanDerWaalsContact C-N 3.26Å; I264-S266 PolarHBondContact O-N 3.16Å; S266-F268 PolarHBondContact O-N 2.89Å; S266-C269 PolarHBondContact O-N 3.14Å; S266-G270 PolarHBondContact O-N 3.01Å; S266-G270 VanDerWaalsContact O-N 3.11Å; S266-L271 CarbonylContact C-O 3.53Å; S266-L271 PolarHBondContact O-N 3.06Å; S266-V272 PolarHBondContact OG-O 3.23Å; S266-V272 VanDerWaalsContact OG-O 3.12Å; S266-G273 WeakPolarHBondContact OG-CA 3.28Å; S266-T535 WeakPolarHBondContact CB-OG1 3.42Å
267V98.3Very high98Very high9 Ų95.1 Ų5.16%0.0554%0.037CC..Hα-helixtrans-67.2-36.3-177.373.90000112.6R263 I264 G270 V501R263-V267 WeakPolarHBondContact O-CG1 3.49Å; R263-V267 PolarHBondContact O-N 3.2Å; I264-V267 WeakPolarHBondContact O-CG1 3.26Å; I264-V267 PolarHBondContact O-N 3.38Å; V267-G270 PolarHBondContact O-N 2.99Å; V267-V501 HydrophobicContact CB-CB 4.11Å; V267-V501 HydrophobicContact CB-CG1 4.14Å; V267-V501 HydrophobicContact CB-CG2 4Å; V267-V501 HydrophobicContact CG1-CB 3.89Å; V267-V501 HydrophobicContact CG1-CG1 3.77Å; V267-V501 HydrophobicContact CG1-CG2 4.34Å; V267-V501 HydrophobicContact CG2-CB 4.18Å; V267-V501 HydrophobicContact CG2-CG2 3.83Å
268F98.7Very high97.8Very high1 Ų16 Ų60%0.0044%0.042CC..Hα-helixtrans-69.9-33.6178.5-78.710.2000113N226 G235 I264 S266 F502 A506 F507 P578N226-F268 PolarHBondContact ND2-O 3.37Å; G235-F268 VanDerWaalsContact CA-CD2 3.49Å; I264-F268 HydrophobicContact CG2-CD2 4.12Å; I264-F268 HydrophobicContact CG2-CE1 4.39Å; I264-F268 HydrophobicContact CG2-CE2 3.91Å; I264-F268 HydrophobicContact CG2-CG 4.43Å; I264-F268 HydrophobicContact CG2-CZ 4.05Å; I264-F268 WeakPolarHBondContact O-CB 3.34Å; I264-F268 WeakPolarHBondContact O-CG 3.4Å; I264-F268 PolarHBondContact O-N 3.39Å; S266-F268 PolarHBondContact O-N 2.89Å; F268-F502 HydrophobicContact CE1-CB 4.2Å; F268-F502 AromaticContact CE1-CD1 3.77Å; F268-F502 HydrophobicContact CE1-CD1 3.77Å; F268-F502 HydrophobicContact CE1-CE1 4.43Å; F268-F502 HydrophobicContact CE1-CG 4.17Å; F268-F502 AromaticContact CZ-CD1 3.54Å; F268-F502 HydrophobicContact CZ-CD1 3.54Å; F268-F502 AromaticContact CZ-CE1 3.74Å; F268-F502 HydrophobicContact CZ-CE1 3.74Å; F268-F502 HydrophobicContact CZ-CG 4.23Å; F268-A506 HydrophobicContact CB-CB 3.91Å; F268-A506 HydrophobicContact CD1-CB 4.22Å; F268-A506 HydrophobicContact CD2-CB 3.82Å; F268-A506 HydrophobicContact CE2-CB 4.41Å; F268-A506 HydrophobicContact CG-CB 3.74Å; F268-F507 AromaticContact CE2-CD1 3.61Å; F268-F507 HydrophobicContact CE2-CD1 3.61Å; F268-F507 AromaticContact CE2-CE1 3.61Å; F268-F507 HydrophobicContact CE2-CE1 3.61Å; F268-F507 AromaticContact CZ-CD1 3.83Å; F268-F507 HydrophobicContact CZ-CD1 3.83Å; F268-F507 HydrophobicContact CZ-CE1 4.06Å; F268-P578 WeakPolarHBondContact O-CG 3.48Å
269C98.5Very high97.9Very high1 Ų15.9 Ų5.91%0.0074%0.041CC..THydrogen-bonded Turntrans-95.47.2-179.6-59.50000113P227 H228 T234 G242 P265 S266 L271P227-C269 HydrophobicContact CG-CB 4.17Å; H228-C269 VanDerWaalsContact NE2-C 3.33Å; H228-C269 PolarHBondContact NE2-O 3.1Å; T234-C269 PolarHBondContact O-SG 3.05Å; T234-C269 VanDerWaalsContact O-SG 3.37Å; G242-C269 WeakPolarHBondContact O-CB 3.41Å; P265-C269 VanDerWaalsContact O-CB 3.22Å; P265-C269 WeakPolarHBondContact O-CB 3.16Å; P265-C269 PolarHBondContact O-N 3.32Å; P265-C269 PolarHBondContact O-SG 2.98Å; P265-C269 VanDerWaalsContact O-SG 3.35Å; S266-C269 PolarHBondContact O-N 3.14Å; C269-L271 HydrophobicContact CB-CD1 4.01Å; C269-L271 HydrophobicContact CB-CG 4.25Å
270G98Very high98Very high24 Ų245.4 Ų5.425%0.2474%0.036CC..THydrogen-bonded Turntrans7135177.800000113.6S266 V267S266-G270 PolarHBondContact O-N 3.01Å; S266-G270 VanDerWaalsContact O-N 3.11Å; V267-G270 PolarHBondContact O-N 2.99Å
271L98.6Very high98Very high4 Ų45.7 Ų5.72%0.0214%0.037CC..  trans-115.7164.3-176.7-63170.2000111.5G242 L245 S266 C269 G305 R306 P537G242-L271 WeakPolarHBondContact O-CD1 3.35Å; L245-L271 HydrophobicContact CB-CD1 3.65Å; L245-L271 HydrophobicContact CB-CD2 3.9Å; L245-L271 HydrophobicContact CB-CG 4.44Å; L245-L271 HydrophobicContact CD1-CD1 4.29Å; S266-L271 CarbonylContact C-O 3.53Å; S266-L271 PolarHBondContact O-N 3.06Å; C269-L271 HydrophobicContact CB-CD1 4.01Å; C269-L271 HydrophobicContact CB-CG 4.25Å; L271-G305 WeakPolarHBondContact CB-O 3.15Å; L271-R306 HydrophobicContact CD2-CG 3.94Å; L271-P537 WeakPolarHBondContact O-CD 3.37Å
272V98.8Very high98Very high0 Ų05.1 Ų5.10%03%0.033CC..EExtended strand (participates in β ladder)trans-89.6154.5165.6-60.50000110.5S266 G305 R307 V308 L311 T535 V536 M597S266-V272 PolarHBondContact OG-O 3.23Å; S266-V272 VanDerWaalsContact OG-O 3.12Å; V272-G305 VanDerWaalsContact CG2-O 3.23Å; V272-G305 WeakPolarHBondContact CG2-O 3.47Å; V272-G305 PolarHBondContact N-O 3.43Å; V272-G305 PolarHBondContact O-N 3.19Å; V272-G305 VanDerWaalsContact O-N 3.16Å; V272-R307 VanDerWaalsContact CG2-C 3.44Å; V272-R307 VanDerWaalsContact CG2-O 3.31Å; V272-R307 WeakPolarHBondContact CG2-O 3.42Å; V272-V308 HydrophobicContact CG1-CG2 3.99Å; V272-L311 HydrophobicContact CB-CD1 3.89Å; V272-L311 HydrophobicContact CB-CG 4.41Å; V272-L311 HydrophobicContact CG2-CD1 3.71Å; V272-L311 HydrophobicContact CG2-CD2 3.91Å; V272-L311 HydrophobicContact CG2-CG 3.67Å; V272-T535 VanDerWaalsContact CA-O 3.27Å; V272-T535 WeakPolarHBondContact CA-O 3.44Å; V272-V536 HydrophobicContact CG1-CG2 4.44Å; V272-M597 HydrophobicContact CB-CE 4.29Å
273G98.8Very high97.8Very high0 Ų05.9 Ų5.90%04%0.039CC..EExtended strand (participates in β ladder)trans-159.5151.6176.600000111S266 G534 T535S266-G273 WeakPolarHBondContact OG-CA 3.28Å; G273-G534 CarbonylContact O-C 3.54Å; G273-G534 WeakPolarHBondContact O-CA 3.49Å; G273-T535 PolarHBondContact N-O 3.15Å; G273-T535 PolarHBondContact N-OG1 3.37Å; G273-T535 PolarHBondContact O-N 3.12Å; G273-T535 PolarHBondContact O-OG1 3.28Å
274L98.9Very high97.6Very high0 Ų010.7 Ų10.70%06%0.06CC..EExtended strand (participates in β ladder)trans-130.1124.7177.1177.269.2000109.5P276 G302 P303 L311 M315 E590 V593 L594L274-P276 HydrophobicContact CD2-CG 4.49Å; L274-P276 HydrophobicContact CG-CG 4.4Å; L274-P276 WeakPolarHBondContact O-CD 3.49Å; L274-G302 WeakPolarHBondContact O-CA 3.41Å; L274-P303 HydrophobicContact CB-CG 3.92Å; L274-P303 HydrophobicContact CD2-CG 4.29Å; L274-P303 PolarHBondContact N-O 3.23Å; L274-L311 HydrophobicContact CB-CD1 4.15Å; L274-M315 HydrophobicContact CD2-CE 4.11Å; L274-M315 HydrophobicContact CD2-CG 4.09Å; L274-M315 HydrophobicContact CD2-SD 3.94Å; L274-E590 HydrophobicContact CD2-CB 4.21Å; L274-E590 HydrophobicContact CD2-CG 4.3Å; L274-V593 HydrophobicContact CD1-CG1 3.92Å; L274-L594 HydrophobicContact CD2-CD1 4.12Å; L274-L594 HydrophobicContact CD2-CD2 4.24Å; L274-L594 HydrophobicContact CD2-CG 4.19Å
275K98.7Very high97.4Very high1 Ų112 Ų120%0.0047%0.073CC..EExtended strand (participates in β ladder)trans-94.1106.7160.6178.8-148.171.571.60108.1D257 R263 C300 N527 Y531 P532 A533D257-K275 HydrophobicContact CB-CB 4.22Å; D257-K275 HydrophobicContact CB-CG 3.88Å; R263-K275 HydrophobicContact CG-CB 4.45Å; K275-C300 HydrophobicContact CG-CB 3.94Å; K275-N527 WeakPolarHBondContact CD-ND2 3.44Å; K275-Y531 WeakPolarHBondContact CE-O 3.15Å; K275-Y531 PolarHBondContact NZ-O 3.18Å; K275-P532 CarbonylContact O-C 3.46Å; K275-P532 VanDerWaalsContact O-CA 3.25Å; K275-P532 WeakPolarHBondContact O-CA 3.35Å; K275-A533 PolarHBondContact N-O 3.31Å; K275-A533 PolarHBondContact O-N 2.9Å
276P98.4Very high97.2Very high1 Ų112.6 Ų12.61%0.0068%0.076CC..PPolyproline II helixtrans-67.5171174.8-20.334.8000112.7L274 R280 I281 C300 V301 M315 E590L274-P276 HydrophobicContact CD2-CG 4.49Å; L274-P276 HydrophobicContact CG-CG 4.4Å; L274-P276 WeakPolarHBondContact O-CD 3.49Å; P276-R280 HydrophobicContact CB-CB 3.73Å; P276-R280 HydrophobicContact CB-CG 4.04Å; P276-I281 HydrophobicContact CG-CD1 3.93Å; P276-I281 HydrophobicContact CG-CG1 4.38Å; P276-C300 PolarHBondContact O-SG 2.97Å; P276-C300 VanDerWaalsContact O-SG 3.34Å; P276-V301 WeakPolarHBondContact CD-O 3.43Å; P276-V301 WeakPolarHBondContact CG-O 3.4Å; P276-M315 HydrophobicContact CG-CE 4.43Å; P276-M315 HydrophobicContact CG-SD 4.42Å; P276-E590 HydrophobicContact CB-CG 3.96Å
277T97.6Very high96.9Very high1 Ų113.1 Ų13.11%0.0068%0.082CC..PPolyproline II helixtrans-54.9144159.1-480000109N279 R280 P532 P587 W588 E590T277-N279 PolarHBondContact O-N 3.38Å; T277-R280 VanDerWaalsContact O-CB 3.26Å; T277-R280 WeakPolarHBondContact O-CB 3.42Å; T277-R280 PolarHBondContact O-N 3.29Å; T277-P532 WeakPolarHBondContact OG1-CD 3.37Å; T277-P587 HydrophobicContact CG2-CB 4.04Å; T277-W588 HydrophobicContact CG2-CD2 4.12Å; T277-W588 HydrophobicContact CG2-CH2 4.43Å; T277-W588 HydrophobicContact CG2-CZ2 4.04Å; T277-W588 PolarHBondContact OG1-N 3.42Å; T277-E590 WeakPolarHBondContact CA-OE1 3.42Å; T277-E590 WeakPolarHBondContact CB-OE1 3.46Å; T277-E590 PolarHBondContact N-OE1 3.04Å; T277-E590 PolarHBondContact OG1-OE1 3.48Å
278T94.7Very high96.4Very high17 Ų1715 Ų1510%0.1049%0.094CC..THydrogen-bonded Turntrans-55.8136.1175.4-60.10000110.1R280 R298 D530T278-R280 PolarHBondContact O-N 3.34Å; T278-R298 HydrophobicContact CG2-CB 3.59Å; T278-R298 HydrophobicContact CG2-CG 4.23Å; T278-D530 WeakPolarHBondContact CB-OD1 3.48Å; T278-D530 PolarHBondContact N-OD1 3.06Å; T278-D530 PolarHBondContact OG1-OD1 3.36Å
279N94Very high95.6Very high34 Ų3416.1 Ų16.118%0.18210%0.099CC..THydrogen-bonded Turntrans63.58.6-175.4-50.1-43.1000116T277 R298 V330 P331 W588T277-N279 PolarHBondContact O-N 3.38Å; N279-R298 PolarHBondContact ND2-NH1 3.08Å; N279-R298 PolarHBondContact OD1-NH1 2.91Å; N279-R298 PolarHBondContact OD1-NH2 3Å; N279-V330 WeakPolarHBondContact O-CG1 3.35Å; N279-P331 WeakPolarHBondContact O-CD 3.36Å; N279-W588 HydrophobicContact CB-CH2 4.47Å
280R97.4Very high94.5Very high9 Ų916.4 Ų16.43%0.03410%0.102CC..SBendtrans-59.8-40.8162.6-177.368.2178176.54.4110.9P276 T277 T278 M315 L319 L334 W588 E590 E591P276-R280 HydrophobicContact CB-CB 3.73Å; P276-R280 HydrophobicContact CB-CG 4.04Å; T277-R280 VanDerWaalsContact O-CB 3.26Å; T277-R280 WeakPolarHBondContact O-CB 3.42Å; T277-R280 PolarHBondContact O-N 3.29Å; T278-R280 PolarHBondContact O-N 3.34Å; R280-M315 HydrophobicContact CG-CE 4.1Å; R280-L319 HydrophobicContact CG-CD2 4.36Å; R280-L319 WeakPolarHBondContact O-CD2 3.46Å; R280-L334 PolarHBondContact NH2-O 3.04Å; R280-L334 VanDerWaalsContact NH2-O 3.16Å; R280-W588 HydrophobicContact CB-CZ3 4.09Å; R280-E590 HydrophobicContact CG-CG 4.22Å; R280-E590 IonicContact NE-OE2 3.57Å; R280-E591 IonicContact CZ-OE1 3.41Å; R280-E591 IonicContact NH2-OE1 3.99Å; R280-E591 PolarHBondContact NH2-OE1 2.7Å; R280-E591 IonicContact NH2-OE2 2.83Å
281I97.9Very high93Very high5 Ų523 Ų233%0.02613%0.126CC..SBendtrans-118.6140.9172-55.6176.6000107.6I190 P276 S283 V301 M315 L318 M323I190-I281 HydrophobicContact CG1-CG2 4.19Å; P276-I281 HydrophobicContact CG-CD1 3.93Å; P276-I281 HydrophobicContact CG-CG1 4.38Å; I281-S283 PolarHBondContact O-N 3.24Å; I281-V301 HydrophobicContact CG2-CB 4.44Å; I281-M315 HydrophobicContact CD1-CE 4.35Å; I281-M315 HydrophobicContact CD1-SD 3.61Å; I281-M315 HydrophobicContact CG1-SD 4.42Å; I281-L318 HydrophobicContact CD1-CD1 3.89Å; I281-L318 HydrophobicContact CG2-CD1 4.27Å; I281-M323 HydrophobicContact CG2-CE 3.99Å
282S97.2Very high91.6Very high0 Ų029.7 Ų29.70%016%0.155CC..  trans-59.7137.8177.9-178.20000111.4I190 K284 M323 D327I190-S282 VanDerWaalsContact CD1-O 3.28Å; I190-S282 WeakPolarHBondContact CD1-O 3.27Å; S282-K284 WeakPolarHBondContact OG-CB 3.32Å; S282-K284 PolarHBondContact OG-N 3.45Å; S282-M323 WeakPolarHBondContact CB-SD 3.35Å; S282-D327 WeakPolarHBondContact CB-OD2 3.23Å; S282-D327 PolarHBondContact OG-OD2 3.39Å
283S94.7Very high90Very high17 Ų1736 Ų3612%0.11918%0.182CC..  trans-104.313.3166.953.40000112.1I281 G285 V286I281-S283 PolarHBondContact O-N 3.24Å; S283-G285 PolarHBondContact O-N 2.61Å; S283-V286 WeakPolarHBondContact O-CB 3.31Å; S283-V286 PolarHBondContact O-N 3.3Å; S283-V286 VanDerWaalsContact O-N 3.09Å
284K94.4Very high88.7Confident101 Ų10137.2 Ų37.244%0.43919%0.191SC..THydrogen-bonded Turntrans-67.8119.2-178.1-177.5177.7173.9-178.90110.2C188 C189 S282 V286 M326 D327C188-K284 WeakPolarHBondContact CA-O 3.23Å; C188-K284 WeakPolarHBondContact CB-O 3.18Å; C189-K284 HydrophobicContact CB-CB 4.11Å; C189-K284 PolarHBondContact N-O 2.8Å; S282-K284 WeakPolarHBondContact OG-CB 3.32Å; S282-K284 PolarHBondContact OG-N 3.45Å; K284-V286 VanDerWaalsContact C-N 3.34Å; K284-M326 PolarHBondContact NZ-O 2.77Å; K284-D327 HydrophobicContact CD-CB 4.4Å
285G94.2Very high87.2Confident26 Ų2643.8 Ų43.827%0.26823%0.225SC..THydrogen-bonded Turntrans86.6-3.5-175.900000114.3S166 S283S166-G285 WeakPolarHBondContact CB-O 3.3Å; S283-G285 PolarHBondContact O-N 2.61Å
286V94.6Very high86.1Confident13 Ų1344.5 Ų44.58%0.07923%0.228CC..BIsolated β-bridgetrans-71133.1172.7-179.50000109.3L164 I190 T256 S283 K284 V301L164-V286 HydrophobicContact CB-CG1 4.35Å; L164-V286 CarbonylContact O-C 3.33Å; L164-V286 WeakPolarHBondContact O-CA 2.99Å; I190-V286 HydrophobicContact CD1-CG2 3.66Å; T256-V286 HydrophobicContact CG2-CG1 4.03Å; S283-V286 WeakPolarHBondContact O-CB 3.31Å; S283-V286 PolarHBondContact O-N 3.3Å; S283-V286 VanDerWaalsContact O-N 3.09Å; K284-V286 VanDerWaalsContact C-N 3.34Å; V286-V301 HydrophobicContact CG1-CG2 4.42Å; V286-V301 HydrophobicContact CG2-CG2 3.64Å
287G92.1Very high85.5Confident12 Ų1244.9 Ų44.912%0.12423%0.231CC..  trans-63.3145.5-178.700000112.7L164L164-G287 PolarHBondContact O-N 2.83Å
288V88Confident85.1Confident49 Ų4949.3 Ų49.330%0.29725%0.247SC..  trans-124151.7169.4-71.40000110.3F174 R179 G290F174-V288 WeakPolarHBondContact CZ-O 3.41Å; R179-V288 PolarHBondContact NH1-O 3.18Å; V288-G290 VanDerWaalsContact CG2-O 3.31Å; V288-G290 WeakPolarHBondContact CG2-O 3.48Å
289I83Confident84.9Confident24 Ų2450.3 Ų50.312%0.12325%0.253CS..SBendtrans-75.1-31.6178.2-167.3149.5000111.9F174 L176 R179 T210 V413F174-I289 HydrophobicContact CD1-CB 4.05Å; F174-I289 HydrophobicContact CD1-CD1 4.25Å; F174-I289 HydrophobicContact CD1-CG1 4.49Å; F174-I289 HydrophobicContact CE1-CB 3.92Å; F174-I289 HydrophobicContact CZ-CB 4.44Å; L176-I289 HydrophobicContact CD1-CD1 4.21Å; R179-I289 PolarHBondContact NH2-O 3.25Å; T210-I289 HydrophobicContact CG2-CD1 3.91Å; T210-I289 WeakPolarHBondContact O-CD1 3.36Å; I289-V413 HydrophobicContact CD1-CG2 4.07Å; I289-V413 HydrophobicContact CG1-CG2 4.26Å; I289-V413 HydrophobicContact CG2-CG2 4.15Å
290G74.2Confident84.9Confident6 Ų649 Ų496%0.06225%0.246CC..SBendtrans-81.3174.7170.600000113.2V288 K292 H412V288-G290 VanDerWaalsContact CG2-O 3.31Å; V288-G290 WeakPolarHBondContact CG2-O 3.48Å; G290-K292 VanDerWaalsContact C-N 3.35Å; G290-H412 VanDerWaalsContact CA-CD2 3.49Å; G290-H412 WeakPolarHBondContact CA-CD2 3.29Å
291H67.3Low84.9Confident163 Ų16348.6 Ų48.676%0.75525%0.245SC*.SBendtrans-88-12.8164.2-67.8-67.8000112H412H291-H412 AromaticContact CD2-CE1 3.71Å; H291-H412 AromaticContact CD2-ND1 3.88Å
292K69.4Low84.9Confident145 Ų14548.4 Ų48.463%0.6324%0.244SC*.SBendtrans-110.7160.5-178.1-62.4-178.5178.4-176.50109.6G290G290-K292 VanDerWaalsContact C-N 3.35Å
293K65Low85Confident131 Ų13148.4 Ų48.457%0.5724%0.244SC*.  trans-106.3133.6170.5-66.5-175.6178-172.90107.1
294S70Confident85.2Confident26 Ų2647.6 Ų47.618%0.18224%0.238CC..  trans-72.4132.9167.4-175.50000108.9L296S294-L296 PolarHBondContact OG-N 3.39Å
295I68.4Low85.4Confident138 Ų13842.8 Ų42.871%0.70822%0.217SC*.SBendtrans-82.4-19.6170.558.8169.1000111.9I474I295-I474 HydrophobicContact CD1-CD1 4.13Å
296L76.1Confident85.5Confident16 Ų1643.7 Ų43.78%0.08421%0.213CC..SBendtrans-73.9-43.5-175.4-74.4158.8000112.3S294 A404 V407 T470 L473 I474 I477S294-L296 PolarHBondContact OG-N 3.39Å; L296-A404 HydrophobicContact CB-CB 3.87Å; L296-V407 HydrophobicContact CD1-CB 4.31Å; L296-V407 HydrophobicContact CD1-CG1 4.41Å; L296-V407 HydrophobicContact CD1-CG2 3.32Å; L296-T470 HydrophobicContact CD1-CG2 4.46Å; L296-L473 HydrophobicContact CD1-CD2 3.77Å; L296-L473 HydrophobicContact CD1-CG 4.36Å; L296-L473 HydrophobicContact CD2-CD2 4.37Å; L296-L473 HydrophobicContact CD2-CG 4.08Å; L296-I474 HydrophobicContact CD2-CB 4.17Å; L296-I474 HydrophobicContact CD2-CG1 3.35Å; L296-I474 HydrophobicContact CG-CG1 4.2Å; L296-I477 HydrophobicContact CD2-CD1 3.88Å
297L85.9Confident85.7Confident10 Ų1047.1 Ų47.15%0.05222%0.224CC..SBendtrans-139.4123.4177.7-81.6178.1000108.8L258 G401 A404 I405 N527 M528L258-L297 HydrophobicContact CD1-CB 4.18Å; L297-G401 WeakPolarHBondContact CD1-O 3.32Å; L297-A404 HydrophobicContact CB-CB 4.41Å; L297-A404 HydrophobicContact CD1-CB 3.49Å; L297-A404 VanDerWaalsContact CD1-CB 3.49Å; L297-A404 HydrophobicContact CG-CB 3.72Å; L297-I405 HydrophobicContact CD1-CD1 4.49Å; L297-I405 HydrophobicContact CD1-CG1 3.7Å; L297-N527 VanDerWaalsContact CD2-C 3.46Å; L297-N527 HydrophobicContact CD2-CB 4Å; L297-N527 WeakPolarHBondContact CD2-O 3.22Å; L297-M528 HydrophobicContact CD2-CB 4.3Å
298R88.1Confident86Confident93 Ų9346.5 Ų46.535%0.35122%0.218SC..  trans-108.8144.9-176.8-66.2-179.661.3-178.5-3.1109.8T278 N279 C300T278-R298 HydrophobicContact CG2-CB 3.59Å; T278-R298 HydrophobicContact CG2-CG 4.23Å; N279-R298 PolarHBondContact ND2-NH1 3.08Å; N279-R298 PolarHBondContact OD1-NH1 2.91Å; N279-R298 PolarHBondContact OD1-NH2 3Å; R298-C300 PolarHBondContact O-N 2.97Å
299V90.5Very high86.4Confident38 Ų3845.5 Ų45.523%0.2321%0.211CC..PPolyproline II helixtrans-69.7125.91741800000108.5T256 L258T256-V299 HydrophobicContact CG2-CG1 4.39Å; L258-V299 HydrophobicContact CB-CG2 4.21Å; L258-V299 HydrophobicContact CD1-CG2 4.1Å
300C94.8Very high87.1Confident6 Ų644.5 Ų44.54%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-90.1143.5168.8-62.90000110T256 D257 K275 P276 R298T256-C300 CarbonylContact C-O 3.49Å; T256-C300 VanDerWaalsContact CA-O 3.24Å; T256-C300 WeakPolarHBondContact CA-O 3.4Å; D257-C300 PolarHBondContact N-O 2.87Å; D257-C300 PolarHBondContact O-N 3.12Å; K275-C300 HydrophobicContact CG-CB 3.94Å; P276-C300 PolarHBondContact O-SG 2.97Å; P276-C300 VanDerWaalsContact O-SG 3.34Å; R298-C300 PolarHBondContact O-N 2.97Å
301V97.4Very high88.3Confident2 Ų244.2 Ų44.21%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-99.5139.8163.4-177.20000107.5I190 I254 T256 P276 I281 V286I190-V301 HydrophobicContact CD1-CB 3.99Å; I190-V301 HydrophobicContact CD1-CG1 3.62Å; I190-V301 HydrophobicContact CD1-CG2 3.7Å; I190-V301 HydrophobicContact CG1-CG1 4.19Å; I254-V301 HydrophobicContact CG2-CG1 3.31Å; T256-V301 HydrophobicContact CG2-CG2 4.23Å; P276-V301 WeakPolarHBondContact CD-O 3.43Å; P276-V301 WeakPolarHBondContact CG-O 3.4Å; I281-V301 HydrophobicContact CG2-CB 4.44Å; V286-V301 HydrophobicContact CG1-CG2 4.42Å; V286-V301 HydrophobicContact CG2-CG2 3.64Å
302G98.5Very high89.7Confident0 Ų036.6 Ų36.60%017%0.168CC..EExtended strand (participates in β ladder)trans-159.2163.4-179.300000113.5G255 L274G255-G302 PolarHBondContact N-O 3.32Å; G255-G302 PolarHBondContact O-N 2.81Å; L274-G302 WeakPolarHBondContact O-CA 3.41Å
303P98.8Very high91.1Very high0 Ų030.3 Ų30.30%014%0.141CC..EExtended strand (participates in β ladder)trans-77.5148.7-176.635-38.7000111.9L274 L311 L314 M315L274-P303 HydrophobicContact CB-CG 3.92Å; L274-P303 HydrophobicContact CD2-CG 4.29Å; L274-P303 PolarHBondContact N-O 3.23Å; P303-L311 HydrophobicContact CB-CB 4.29Å; P303-L311 HydrophobicContact CB-CD2 3.77Å; P303-L311 HydrophobicContact CG-CB 3.96Å; P303-L311 HydrophobicContact CG-CD2 4.04Å; P303-L311 HydrophobicContact CG-CG 4.47Å; P303-L314 HydrophobicContact CB-CB 4.01Å; P303-L314 HydrophobicContact CB-CD2 3.51Å; P303-L314 HydrophobicContact CB-CG 3.95Å; P303-M315 HydrophobicContact CG-CG 4.08Å; P303-M315 HydrophobicContact CG-SD 4.08Å
304M98.8Very high92.7Very high0 Ų024 Ų240%011%0.114CC..EExtended strand (participates in β ladder)trans-128.1147.4168.4-67.5176.470.300108.3E241 L245 G253 I262 P265 L311E241-M304 HydrophobicContact CB-CE 3.8Å; E241-M304 HydrophobicContact CB-SD 3.67Å; E241-M304 HydrophobicContact CG-SD 4.18Å; L245-M304 HydrophobicContact CD1-CB 3.51Å; G253-M304 PolarHBondContact N-O 3.4Å; G253-M304 PolarHBondContact O-N 2.79Å; I262-M304 HydrophobicContact CG1-CG 4.49Å; I262-M304 HydrophobicContact CG1-SD 4.36Å; I262-M304 HydrophobicContact CG2-CG 3.78Å; I262-M304 HydrophobicContact CG2-SD 4.34Å; P265-M304 HydrophobicContact CB-CE 4.27Å; P265-M304 HydrophobicContact CG-CE 4.06Å; M304-L311 VanDerWaalsContact C-CD2 3.48Å
305G98.3Very high94Very high0 Ų022.8 Ų22.80%011%0.105CC..EExtended strand (participates in β ladder)trans-172.8-174.8-17600000112.8L271 V272L271-G305 WeakPolarHBondContact CB-O 3.15Å; V272-G305 VanDerWaalsContact CG2-O 3.23Å; V272-G305 WeakPolarHBondContact CG2-O 3.47Å; V272-G305 PolarHBondContact N-O 3.43Å; V272-G305 PolarHBondContact O-N 3.19Å; V272-G305 VanDerWaalsContact O-N 3.16Å
306R97.1Very high95.4Very high46 Ų4619.2 Ų19.217%0.1748%0.083CC..SBendtrans-95.9-27-179.9-59.7-166.2-63-122.317.9112.9T87 L89 R248 S250 L271T87-R306 PolarHBondContact O-NH2 3.36Å; L89-R306 PolarHBondContact O-NH2 2.88Å; R248-R306 VanDerWaalsContact CA-NH1 3.34Å; S250-R306 PolarHBondContact O-NH1 2.63Å; L271-R306 HydrophobicContact CD2-CG 3.94Å
307R97.5Very high96.5Very high84 Ų8418.7 Ų18.732%0.3178%0.08SC..SBendtrans-129.4151.7178.7-54.3176.766.2-176-0.2112.1N90 D92 V272 D309 D310 E601N90-R307 PolarHBondContact ND2-NH1 3.39Å; D92-R307 IonicContact OD2-NH1 3.63Å; V272-R307 VanDerWaalsContact CG2-C 3.44Å; V272-R307 VanDerWaalsContact CG2-O 3.31Å; V272-R307 WeakPolarHBondContact CG2-O 3.42Å; R307-D309 PolarHBondContact O-N 3.04Å; R307-D310 WeakPolarHBondContact CB-OD2 3.28Å; R307-D310 PolarHBondContact N-OD2 3.45Å; R307-D310 VanDerWaalsContact O-CB 3.27Å; R307-D310 WeakPolarHBondContact O-CB 3.49Å; R307-D310 PolarHBondContact O-N 2.81Å; R307-E601 VanDerWaalsContact CA-OE1 3.31Å; R307-E601 WeakPolarHBondContact CA-OE1 3.5Å
308V98.3Very high97Very high0 Ų018.2 Ų18.20%08%0.078CC..Hα-helixtrans-59.5-38.6-179.8179.10000111.4V272 D310 L311 A312 L594 M597 K598 E601V272-V308 HydrophobicContact CG1-CG2 3.99Å; V308-D310 PolarHBondContact O-N 2.83Å; V308-L311 WeakPolarHBondContact O-CB 3.23Å; V308-L311 PolarHBondContact O-N 3.34Å; V308-L311 VanDerWaalsContact O-N 3.13Å; V308-A312 PolarHBondContact O-N 2.69Å; V308-L594 HydrophobicContact CG1-CB 4.43Å; V308-L594 HydrophobicContact CG1-CD2 4Å; V308-L594 WeakPolarHBondContact CG1-O 3.41Å; V308-M597 HydrophobicContact CG1-CB 3.93Å; V308-M597 HydrophobicContact CG2-CB 3.79Å; V308-M597 HydrophobicContact CG2-CE 4.12Å; V308-K598 HydrophobicContact CB-CB 4.42Å; V308-K598 HydrophobicContact CG1-CB 3.99Å; V308-E601 HydrophobicContact CG2-CB 3.95Å; V308-E601 HydrophobicContact CG2-CG 4.41Å; V308-E601 PolarHBondContact N-OE1 3.19Å; V308-E601 PolarHBondContact N-OE2 3.18Å
309D97.2Very high97.5Very high28 Ų2814 Ų1415%0.156%0.062CC..Hα-helixtrans-62.4-28.4177.6-73.620.9000112.6R307 A312 K313 Y340 K598R307-D309 PolarHBondContact O-N 3.04Å; D309-A312 PolarHBondContact O-N 3.46Å; D309-K313 VanDerWaalsContact O-CG 3.26Å; D309-K313 WeakPolarHBondContact O-CG 3.38Å; D309-K313 PolarHBondContact O-N 2.81Å; D309-Y340 VanDerWaalsContact CG-OH 3.31Å; D309-Y340 PolarHBondContact OD1-OH 3.37Å; D309-K598 WeakPolarHBondContact OD1-CD 3.43Å; D309-K598 VanDerWaalsContact OD1-CE 3.25Å; D309-K598 WeakPolarHBondContact OD1-CE 3.35Å; D309-K598 IonicContact OD1-NZ 3.67Å; D309-K598 PolarHBondContact OD1-NZ 3.45Å; D309-K598 IonicContact OD2-NZ 2.83Å; D309-K598 PolarHBondContact OD2-NZ 3.44Å
310D97.9Very high97.8Very high3 Ų313.2 Ų13.22%0.0166%0.057CC..Hα-helixtrans-69.3-38.2177.2-52.6-25.9000110.7L91 V252 R307 V308 K313 L314L91-D310 VanDerWaalsContact CB-OD1 3.27Å; L91-D310 WeakPolarHBondContact CB-OD1 3.32Å; L91-D310 HydrophobicContact CD2-CB 4.16Å; V252-D310 HydrophobicContact CG1-CB 3.56Å; R307-D310 WeakPolarHBondContact CB-OD2 3.28Å; R307-D310 PolarHBondContact N-OD2 3.45Å; R307-D310 VanDerWaalsContact O-CB 3.27Å; R307-D310 WeakPolarHBondContact O-CB 3.49Å; R307-D310 PolarHBondContact O-N 2.81Å; V308-D310 PolarHBondContact O-N 2.83Å; D310-K313 PolarHBondContact O-N 3.48Å; D310-L314 PolarHBondContact O-N 3.46Å; D310-L314 VanDerWaalsContact O-N 3.08Å
311L98.7Very high97.9Very high0 Ų017.1 Ų17.10%08%0.081CC..Hα-helixtrans-64.2-43.9174-53.1-173.7000111.1V272 L274 P303 M304 V308 K313 L314 M315 L594 M597V272-L311 HydrophobicContact CB-CD1 3.89Å; V272-L311 HydrophobicContact CB-CG 4.41Å; V272-L311 HydrophobicContact CG2-CD1 3.71Å; V272-L311 HydrophobicContact CG2-CD2 3.91Å; V272-L311 HydrophobicContact CG2-CG 3.67Å; L274-L311 HydrophobicContact CB-CD1 4.15Å; P303-L311 HydrophobicContact CB-CB 4.29Å; P303-L311 HydrophobicContact CB-CD2 3.77Å; P303-L311 HydrophobicContact CG-CB 3.96Å; P303-L311 HydrophobicContact CG-CD2 4.04Å; P303-L311 HydrophobicContact CG-CG 4.47Å; M304-L311 VanDerWaalsContact C-CD2 3.48Å; V308-L311 WeakPolarHBondContact O-CB 3.23Å; V308-L311 PolarHBondContact O-N 3.34Å; V308-L311 VanDerWaalsContact O-N 3.13Å; L311-K313 VanDerWaalsContact C-N 3.35Å; L311-K313 PolarHBondContact O-N 3.44Å; L311-L314 PolarHBondContact O-N 3.49Å; L311-M315 VanDerWaalsContact O-CG 3.28Å; L311-M315 WeakPolarHBondContact O-CG 3.31Å; L311-M315 PolarHBondContact O-N 3.27Å; L311-L594 HydrophobicContact CB-CD2 3.9Å; L311-L594 HydrophobicContact CD1-CD2 4.09Å; L311-M597 HydrophobicContact CD1-CE 3.89Å
312A98.1Very high97.9Very high2 Ų219.6 Ų19.62%0.0179%0.092CC..Hα-helixtrans-61.6-42.217800000111.7V308 D309 L314 M315 R316 F335 Y340 L594V308-A312 PolarHBondContact O-N 2.69Å; D309-A312 PolarHBondContact O-N 3.46Å; A312-L314 PolarHBondContact O-N 2.78Å; A312-M315 PolarHBondContact O-N 3.38Å; A312-R316 WeakPolarHBondContact O-CG 3.44Å; A312-R316 PolarHBondContact O-N 2.87Å; A312-F335 HydrophobicContact CB-CE2 4.43Å; A312-F335 HydrophobicContact CB-CZ 3.84Å; A312-Y340 HydrophobicContact CB-CE1 3.95Å; A312-Y340 HydrophobicContact CB-CE2 4.04Å; A312-L594 HydrophobicContact CB-CD1 4.38Å
313K98.1Very high97.9Very high13 Ų1319.6 Ų19.66%0.0579%0.092CC..Hα-helixtrans-59.7-43.9174.3-72.4169.5178.995.20112L91 D92 T153 L154 D309 D310 L311 R316 T317L91-K313 HydrophobicContact CD2-CB 4.46Å; L91-K313 HydrophobicContact CD2-CD 3.54Å; L91-K313 HydrophobicContact CG-CD 3.91Å; D92-K313 WeakPolarHBondContact OD1-CE 3.19Å; D92-K313 IonicContact OD1-NZ 3.39Å; D92-K313 PolarHBondContact OD1-NZ 3.37Å; D92-K313 IonicContact OD2-NZ 2.89Å; D92-K313 PolarHBondContact OD2-NZ 3.4Å; T153-K313 HydrophobicContact CG2-CG 4.23Å; T153-K313 WeakPolarHBondContact OG1-CB 3.45Å; L154-K313 HydrophobicContact CD2-CB 4.15Å; D309-K313 VanDerWaalsContact O-CG 3.26Å; D309-K313 WeakPolarHBondContact O-CG 3.38Å; D309-K313 PolarHBondContact O-N 2.81Å; D310-K313 PolarHBondContact O-N 3.48Å; L311-K313 VanDerWaalsContact C-N 3.35Å; L311-K313 PolarHBondContact O-N 3.44Å; K313-R316 PolarHBondContact O-N 3.04Å; K313-T317 PolarHBondContact O-N 2.72Å; K313-T317 PolarHBondContact O-OG1 2.95Å
314L98.3Very high97.8Very high0 Ų020.8 Ų20.80%010%0.097CC..Hα-helixtrans-68.6-38177.7-170.652.4000112.1L154 L194 V252 G253 I254 P303 D310 L311 A312 T317 L318L154-L314 HydrophobicContact CD1-CB 4.05Å; L154-L314 HydrophobicContact CD1-CD1 3.42Å; L154-L314 VanDerWaalsContact CD1-CD1 3.42Å; L154-L314 HydrophobicContact CD1-CG 4.32Å; L194-L314 HydrophobicContact CD2-CD1 3.77Å; V252-L314 HydrophobicContact CB-CD2 4.31Å; G253-L314 WeakPolarHBondContact O-CD2 3.32Å; I254-L314 HydrophobicContact CD1-CD1 4.15Å; I254-L314 HydrophobicContact CD1-CD2 3.44Å; I254-L314 VanDerWaalsContact CD1-CD2 3.44Å; I254-L314 HydrophobicContact CD1-CG 3.88Å; I254-L314 HydrophobicContact CG1-CD2 4.11Å; P303-L314 HydrophobicContact CB-CB 4.01Å; P303-L314 HydrophobicContact CB-CD2 3.51Å; P303-L314 HydrophobicContact CB-CG 3.95Å; D310-L314 PolarHBondContact O-N 3.46Å; D310-L314 VanDerWaalsContact O-N 3.08Å; L311-L314 PolarHBondContact O-N 3.49Å; A312-L314 PolarHBondContact O-N 2.78Å; L314-T317 PolarHBondContact O-N 3.42Å; L314-L318 HydrophobicContact CD1-CD1 4.39Å; L314-L318 HydrophobicContact CD1-CG 4.5Å; L314-L318 HydrophobicContact CG-CD1 4.28Å; L314-L318 WeakPolarHBondContact O-CG 3.12Å; L314-L318 PolarHBondContact O-N 3.27Å
315M98.3Very high97.8Very high0 Ų027.4 Ų27.40%013%0.128CC..Hα-helixtrans-60.8-47.6172.3-71.4-65.5-74.300112L274 P276 R280 I281 P303 L311 A312 T317 L318 L319 F335 E590 L594L274-M315 HydrophobicContact CD2-CE 4.11Å; L274-M315 HydrophobicContact CD2-CG 4.09Å; L274-M315 HydrophobicContact CD2-SD 3.94Å; P276-M315 HydrophobicContact CG-CE 4.43Å; P276-M315 HydrophobicContact CG-SD 4.42Å; R280-M315 HydrophobicContact CG-CE 4.1Å; I281-M315 HydrophobicContact CD1-CE 4.35Å; I281-M315 HydrophobicContact CD1-SD 3.61Å; I281-M315 HydrophobicContact CG1-SD 4.42Å; P303-M315 HydrophobicContact CG-CG 4.08Å; P303-M315 HydrophobicContact CG-SD 4.08Å; L311-M315 VanDerWaalsContact O-CG 3.28Å; L311-M315 WeakPolarHBondContact O-CG 3.31Å; L311-M315 PolarHBondContact O-N 3.27Å; A312-M315 PolarHBondContact O-N 3.38Å; M315-T317 VanDerWaalsContact C-N 3.27Å; M315-T317 PolarHBondContact O-N 2.76Å; M315-L318 PolarHBondContact O-N 3.29Å; M315-L318 VanDerWaalsContact O-N 3.14Å; M315-L319 HydrophobicContact CE-CD1 3.86Å; M315-L319 VanDerWaalsContact O-CB 3.32Å; M315-L319 WeakPolarHBondContact O-CB 3.37Å; M315-L319 VanDerWaalsContact O-CG 3.29Å; M315-L319 WeakPolarHBondContact O-CG 3.43Å; M315-L319 PolarHBondContact O-N 3.35Å; M315-F335 HydrophobicContact CB-CD2 3.62Å; M315-F335 HydrophobicContact CB-CE2 3.71Å; M315-F335 HydrophobicContact CG-CE2 4.36Å; M315-E590 HydrophobicContact CE-CB 4.15Å; M315-E590 HydrophobicContact CE-CG 4.12Å; M315-L594 HydrophobicContact CG-CD1 4.42Å
316R97.4Very high97.8Very high63 Ų6329 Ų2924%0.23814%0.135CC..Hα-helixtrans-58.2-40.1175.4-73-175.3-170.6152.68.2112.3A312 K313 L318 T320 F335 D337A312-R316 WeakPolarHBondContact O-CG 3.44Å; A312-R316 PolarHBondContact O-N 2.87Å; K313-R316 PolarHBondContact O-N 3.04Å; R316-L318 VanDerWaalsContact C-N 3.3Å; R316-L318 PolarHBondContact O-N 2.94Å; R316-T320 WeakPolarHBondContact O-CG2 3.41Å; R316-F335 HydrophobicContact CG-CB 3.79Å; R316-F335 HydrophobicContact CG-CD1 3.61Å; R316-F335 HydrophobicContact CG-CD2 4.38Å; R316-F335 HydrophobicContact CG-CE1 4.27Å; R316-F335 HydrophobicContact CG-CG 3.66Å; R316-D337 IonicContact CZ-OD1 3.31Å; R316-D337 IonicContact NE-OD1 2.77Å; R316-D337 PolarHBondContact NE-OD1 2.84Å; R316-D337 IonicContact NE-OD2 3.91Å; R316-D337 IonicContact NH2-OD1 3.96Å; R316-D337 PolarHBondContact NH2-OD1 3.35Å
317T98Very high97.8Very high5 Ų527.4 Ų27.43%0.03113%0.13CC..Hα-helixtrans-66.7-31.9178.5-56.60000112L154 L194 E197 K313 L314 M315L154-T317 HydrophobicContact CB-CG2 4.14Å; L154-T317 HydrophobicContact CD1-CG2 4.17Å; L154-T317 WeakPolarHBondContact CD1-OG1 3.1Å; L154-T317 HydrophobicContact CG-CG2 4.47Å; L154-T317 VanDerWaalsContact CG-OG1 3.3Å; L154-T317 WeakPolarHBondContact CG-OG1 3.37Å; L194-T317 HydrophobicContact CD2-CG2 4.05Å; E197-T317 HydrophobicContact CB-CG2 3.69Å; E197-T317 HydrophobicContact CG-CG2 4.27Å; E197-T317 WeakPolarHBondContact CG-O 3.11Å; K313-T317 PolarHBondContact O-N 2.72Å; K313-T317 PolarHBondContact O-OG1 2.95Å; L314-T317 PolarHBondContact O-N 3.42Å; M315-T317 VanDerWaalsContact C-N 3.27Å; M315-T317 PolarHBondContact O-N 2.76Å
318L98.1Very high97.7Very high0 Ų028.3 Ų28.30%015%0.147CC..Hα-helixtrans-88.2-31.8179.5-67.4171.9000113.2I190 V193 L194 I254 I281 L314 M315 R316 T320 M323I190-L318 HydrophobicContact CG2-CD2 3.98Å; V193-L318 HydrophobicContact CG1-CD2 4.29Å; L194-L318 HydrophobicContact CD2-CD2 3.91Å; L194-L318 HydrophobicContact CG-CD2 3.96Å; I254-L318 HydrophobicContact CD1-CD1 3.82Å; I281-L318 HydrophobicContact CD1-CD1 3.89Å; I281-L318 HydrophobicContact CG2-CD1 4.27Å; L314-L318 HydrophobicContact CD1-CD1 4.39Å; L314-L318 HydrophobicContact CD1-CG 4.5Å; L314-L318 HydrophobicContact CG-CD1 4.28Å; L314-L318 WeakPolarHBondContact O-CG 3.12Å; L314-L318 PolarHBondContact O-N 3.27Å; M315-L318 PolarHBondContact O-N 3.29Å; M315-L318 VanDerWaalsContact O-N 3.14Å; R316-L318 VanDerWaalsContact C-N 3.3Å; R316-L318 PolarHBondContact O-N 2.94Å; L318-T320 VanDerWaalsContact C-N 3.3Å; L318-T320 PolarHBondContact O-N 2.91Å; L318-T320 VanDerWaalsContact O-N 3.13Å; L318-M323 HydrophobicContact CB-CE 4.04Å; L318-M323 HydrophobicContact CD2-CE 4.07Å; L318-M323 WeakPolarHBondContact O-CB 3.37Å; L318-M323 VanDerWaalsContact O-CE 3.27Å; L318-M323 WeakPolarHBondContact O-CE 3.26Å
319L97.7Very high97.5Very high4 Ų437.4 Ų37.42%0.02118%0.183CC..SBendtrans-89.963.8-177.1-63.1176.1000111.1R280 M315 L334 F335R280-L319 HydrophobicContact CG-CD2 4.36Å; R280-L319 WeakPolarHBondContact O-CD2 3.46Å; M315-L319 HydrophobicContact CE-CD1 3.86Å; M315-L319 VanDerWaalsContact O-CB 3.32Å; M315-L319 WeakPolarHBondContact O-CB 3.37Å; M315-L319 VanDerWaalsContact O-CG 3.29Å; M315-L319 WeakPolarHBondContact O-CG 3.43Å; M315-L319 PolarHBondContact O-N 3.35Å; L319-L334 WeakPolarHBondContact O-CD2 3.36Å; L319-F335 HydrophobicContact CD1-CB 4.18Å; L319-F335 HydrophobicContact CD1-CD2 4.26Å
320T96.9Very high97.5Very high22 Ų2236.2 Ų36.214%0.13518%0.177CC..SBendtrans-119.5167.4178.3730000111.5E197 R316 L318 K322 M323 F324E197-T320 HydrophobicContact CG-CG2 4.1Å; E197-T320 PolarHBondContact OE1-OG1 3.42Å; R316-T320 WeakPolarHBondContact O-CG2 3.41Å; L318-T320 VanDerWaalsContact C-N 3.3Å; L318-T320 PolarHBondContact O-N 2.91Å; L318-T320 VanDerWaalsContact O-N 3.13Å; T320-K322 PolarHBondContact O-N 3.14Å; T320-K322 VanDerWaalsContact O-N 3.11Å; T320-K322 PolarHBondContact OG1-N 3.43Å; T320-M323 WeakPolarHBondContact O-CB 3.41Å; T320-M323 PolarHBondContact O-N 2.89Å; T320-F324 WeakPolarHBondContact O-CD2 3.26Å; T320-F324 WeakPolarHBondContact O-CE2 3.37Å; T320-F324 PolarHBondContact O-N 3.19Å
321T96.6Very high97.4Very high87 Ų8738 Ų3853%0.53419%0.189SC..Hα-helixtrans-54.2-31.8175.3-49.40000112.5M323 F324 Q325T321-M323 PolarHBondContact O-N 3.12Å; T321-F324 PolarHBondContact O-N 3.13Å; T321-Q325 HydrophobicContact CG2-CG 4.25Å; T321-Q325 VanDerWaalsContact O-CG 3.29Å; T321-Q325 WeakPolarHBondContact O-CG 3.35Å; T321-Q325 PolarHBondContact O-N 3.31Å
322K97.6Very high97.3Very high54 Ų5442.9 Ų42.924%0.23522%0.22CC..Hα-helixtrans-59.6-45.7177.2-179.460.6172.7172.30111.9V193 H196 T320 F324 Q325 M326V193-K322 HydrophobicContact CG2-CG 4.04Å; H196-K322 HydrophobicContact CB-CG 4.11Å; T320-K322 PolarHBondContact O-N 3.14Å; T320-K322 VanDerWaalsContact O-N 3.11Å; T320-K322 PolarHBondContact OG1-N 3.43Å; K322-F324 PolarHBondContact O-N 3.43Å; K322-Q325 PolarHBondContact O-N 2.85Å; K322-M326 HydrophobicContact CD-CG 4.27Å; K322-M326 HydrophobicContact CD-SD 4.08Å; K322-M326 VanDerWaalsContact CE-SD 3.51Å; K322-M326 HydrophobicContact CG-SD 4.16Å; K322-M326 WeakPolarHBondContact O-CB 3.45Å; K322-M326 VanDerWaalsContact O-CG 3.26Å; K322-M326 WeakPolarHBondContact O-CG 3.45Å; K322-M326 PolarHBondContact O-N 3.42Å; K322-M326 VanDerWaalsContact O-N 3.09Å
323M98.1Very high97.2Very high0 Ų046.3 Ų46.30%024%0.238CC..Hα-helixtrans-58.6-48176.4178.272.571.600111.1V193 I281 S282 L318 T320 T321 Q325 M326 D327 V330V193-M323 HydrophobicContact CB-CE 4.24Å; V193-M323 HydrophobicContact CG1-CE 4.23Å; V193-M323 HydrophobicContact CG2-CB 4.01Å; V193-M323 HydrophobicContact CG2-CE 3.97Å; V193-M323 HydrophobicContact CG2-SD 4.2Å; I281-M323 HydrophobicContact CG2-CE 3.99Å; S282-M323 WeakPolarHBondContact CB-SD 3.35Å; L318-M323 HydrophobicContact CB-CE 4.04Å; L318-M323 HydrophobicContact CD2-CE 4.07Å; L318-M323 WeakPolarHBondContact O-CB 3.37Å; L318-M323 VanDerWaalsContact O-CE 3.27Å; L318-M323 WeakPolarHBondContact O-CE 3.26Å; T320-M323 WeakPolarHBondContact O-CB 3.41Å; T320-M323 PolarHBondContact O-N 2.89Å; T321-M323 PolarHBondContact O-N 3.12Å; M323-Q325 VanDerWaalsContact C-N 3.33Å; M323-Q325 PolarHBondContact O-N 3.36Å; M323-M326 PolarHBondContact O-N 3.35Å; M323-M326 VanDerWaalsContact O-N 3.17Å; M323-D327 PolarHBondContact O-N 2.77Å; M323-V330 HydrophobicContact CG-CG1 4.31Å
324F97.8Very high97.2Very high25 Ų2550.9 Ų50.911%0.1126%0.262CS..Hα-helixtrans-68.5-32.1-176.1-46.6-36000112.7T320 T321 K322 D327 V330 P331 P332 L333 L334T320-F324 WeakPolarHBondContact O-CD2 3.26Å; T320-F324 WeakPolarHBondContact O-CE2 3.37Å; T320-F324 PolarHBondContact O-N 3.19Å; T321-F324 PolarHBondContact O-N 3.13Å; K322-F324 PolarHBondContact O-N 3.43Å; F324-D327 CarbonylContact O-C 3.45Å; F324-V330 HydrophobicContact CD1-CG1 3.85Å; F324-V330 HydrophobicContact CE1-CG1 3.95Å; F324-P331 WeakPolarHBondContact CE1-O 3.23Å; F324-P332 HydrophobicContact CB-CB 4.22Å; F324-P332 HydrophobicContact CD2-CB 3.79Å; F324-P332 HydrophobicContact CE2-CB 4.3Å; F324-P332 HydrophobicContact CG-CB 3.95Å; F324-L333 WeakPolarHBondContact CZ-O 3.49Å; F324-L334 HydrophobicContact CE2-CD2 3.74Å; F324-L334 HydrophobicContact CE2-CG 4.36Å; F324-L334 HydrophobicContact CZ-CD2 4.26Å
325Q97.9Very high97.1Very high140 Ų14051.7 Ų51.765%0.65427%0.266SS*.Hα-helixtrans-68.3-38.7172.2-73.7172.2-300112.1T321 K322 M323T321-Q325 HydrophobicContact CG2-CG 4.25Å; T321-Q325 VanDerWaalsContact O-CG 3.29Å; T321-Q325 WeakPolarHBondContact O-CG 3.35Å; T321-Q325 PolarHBondContact O-N 3.31Å; K322-Q325 PolarHBondContact O-N 2.85Å; M323-Q325 VanDerWaalsContact C-N 3.33Å; M323-Q325 PolarHBondContact O-N 3.36Å
326M97.7Very high97.1Very high32 Ų3254.8 Ų54.816%0.15828%0.282CS..Hα-helixtrans-78.3-30.5-177.1-73.9-174.365.600113.9C189 E192 V193 K284 K322 M323C189-M326 HydrophobicContact CB-CE 4.43Å; E192-M326 HydrophobicContact CB-CE 3.56Å; E192-M326 HydrophobicContact CB-SD 3.95Å; E192-M326 HydrophobicContact CG-CE 3.96Å; E192-M326 WeakPolarHBondContact OE2-CE 3.46Å; V193-M326 HydrophobicContact CG2-SD 4.01Å; K284-M326 PolarHBondContact NZ-O 2.77Å; K322-M326 HydrophobicContact CD-CG 4.27Å; K322-M326 HydrophobicContact CD-SD 4.08Å; K322-M326 VanDerWaalsContact CE-SD 3.51Å; K322-M326 HydrophobicContact CG-SD 4.16Å; K322-M326 WeakPolarHBondContact O-CB 3.45Å; K322-M326 VanDerWaalsContact O-CG 3.26Å; K322-M326 WeakPolarHBondContact O-CG 3.45Å; K322-M326 PolarHBondContact O-N 3.42Å; K322-M326 VanDerWaalsContact O-N 3.09Å; M323-M326 PolarHBondContact O-N 3.35Å; M323-M326 VanDerWaalsContact O-N 3.17Å
327D97.4Very high97.1Very high13 Ų1355.5 Ų55.57%0.0729%0.291CS..  trans-134.692.5176.8-166.6-3.4000110.9S282 K284 M323 F324 Y329 V330S282-D327 WeakPolarHBondContact CB-OD2 3.23Å; S282-D327 PolarHBondContact OG-OD2 3.39Å; K284-D327 HydrophobicContact CD-CB 4.4Å; M323-D327 PolarHBondContact O-N 2.77Å; F324-D327 CarbonylContact O-C 3.45Å; D327-Y329 PolarHBondContact O-N 2.65Å; D327-Y329 PolarHBondContact OD1-N 3.17Å; D327-V330 HydrophobicContact CB-CG2 4.07Å; D327-V330 PolarHBondContact O-N 2.8Å
328P95.7Very high97Very high103 Ų10360.1 Ų60.167%0.66931%0.313SS*.THydrogen-bonded Turntrans-68.8-4.6-178.729.6-36.4000113.6
329Y94.2Very high97.1Very high192 Ų19261.1 Ų61.175%0.75332%0.318SS*.THydrogen-bonded Turntrans-88.9-6.7173.3-62.3-76.7000113.3D327D327-Y329 PolarHBondContact O-N 2.65Å; D327-Y329 PolarHBondContact OD1-N 3.17Å
330V96.3Very high97.1Very high2 Ų261.7 Ų61.71%0.01232%0.32CS..SBendtrans-84.2122.8166.6172.70000107.6N279 M323 F324 D327N279-V330 WeakPolarHBondContact O-CG1 3.35Å; M323-V330 HydrophobicContact CG-CG1 4.31Å; F324-V330 HydrophobicContact CD1-CG1 3.85Å; F324-V330 HydrophobicContact CE1-CG1 3.95Å; D327-V330 HydrophobicContact CB-CG2 4.07Å; D327-V330 PolarHBondContact O-N 2.8Å
331P96.2Very high97.1Very high42 Ų4263.4 Ų63.427%0.27334%0.337SS..  trans-56.6136.7175.5-28.338.8000110.7N279 F324 L333 W588N279-P331 WeakPolarHBondContact O-CD 3.36Å; F324-P331 WeakPolarHBondContact CE1-O 3.23Å; P331-L333 HydrophobicContact CB-CD1 3.95Å; P331-L333 HydrophobicContact CB-CG 3.92Å; P331-L333 PolarHBondContact O-N 2.92Å; P331-W588 HydrophobicContact CB-CH2 4.47Å; P331-W588 HydrophobicContact CB-CZ3 4.35Å; P331-W588 HydrophobicContact CG-CH2 3.47Å; P331-W588 VanDerWaalsContact CG-CH2 3.47Å; P331-W588 HydrophobicContact CG-CZ2 4.11Å; P331-W588 HydrophobicContact CG-CZ3 3.79Å
332P96.6Very high97.2Very high101 Ų10159.3 Ų59.366%0.65631%0.312SS*.  trans-76.558.4-176.633.2-37.2000111.7F324F324-P332 HydrophobicContact CB-CB 4.22Å; F324-P332 HydrophobicContact CD2-CB 3.79Å; F324-P332 HydrophobicContact CE2-CB 4.3Å; F324-P332 HydrophobicContact CG-CB 3.95Å
333L96.7Very high97.2Very high74 Ų7461.8 Ų61.839%0.38733%0.327SS..  trans-104.4107.6-177.3-62.5176.5000108.9F324 P331 W588F324-L333 WeakPolarHBondContact CZ-O 3.49Å; P331-L333 HydrophobicContact CB-CD1 3.95Å; P331-L333 HydrophobicContact CB-CG 3.92Å; P331-L333 PolarHBondContact O-N 2.92Å; L333-W588 HydrophobicContact CD1-CD2 4.38Å; L333-W588 HydrophobicContact CD1-CE3 3.87Å; L333-W588 HydrophobicContact CD1-CZ3 4.41Å
334L97.3Very high97.1Very high109 Ų10965.7 Ų65.757%0.57135%0.348SS*.  trans-65.4162.1172.4-62.7173.7000110.8R280 L319 F324 N336R280-L334 PolarHBondContact NH2-O 3.04Å; R280-L334 VanDerWaalsContact NH2-O 3.16Å; L319-L334 WeakPolarHBondContact O-CD2 3.36Å; F324-L334 HydrophobicContact CE2-CD2 3.74Å; F324-L334 HydrophobicContact CE2-CG 4.36Å; F324-L334 HydrophobicContact CZ-CD2 4.26Å; L334-N336 PolarHBondContact O-N 3.32Å
335F97.5Very high97.1Very high18 Ų1868 Ų688%0.07936%0.358CS..  trans-62.9132.2171.4-170.2-92.7000110.5A312 M315 R316 L319 D337 Y340 E591 L594A312-F335 HydrophobicContact CB-CE2 4.43Å; A312-F335 HydrophobicContact CB-CZ 3.84Å; M315-F335 HydrophobicContact CB-CD2 3.62Å; M315-F335 HydrophobicContact CB-CE2 3.71Å; M315-F335 HydrophobicContact CG-CE2 4.36Å; R316-F335 HydrophobicContact CG-CB 3.79Å; R316-F335 HydrophobicContact CG-CD1 3.61Å; R316-F335 HydrophobicContact CG-CD2 4.38Å; R316-F335 HydrophobicContact CG-CE1 4.27Å; R316-F335 HydrophobicContact CG-CG 3.66Å; L319-F335 HydrophobicContact CD1-CB 4.18Å; L319-F335 HydrophobicContact CD1-CD2 4.26Å; F335-D337 WeakPolarHBondContact CD1-OD1 3.2Å; F335-D337 WeakPolarHBondContact CE1-OD1 3.28Å; F335-Y340 AromaticContact CE1-CD1 3.97Å; F335-Y340 HydrophobicContact CE1-CD1 3.97Å; F335-Y340 AromaticContact CE1-CG 3.92Å; F335-Y340 HydrophobicContact CE1-CG 3.92Å; F335-Y340 HydrophobicContact CZ-CD1 4.21Å; F335-Y340 HydrophobicContact CZ-CD2 4.26Å; F335-Y340 AromaticContact CZ-CG 3.86Å; F335-Y340 HydrophobicContact CZ-CG 3.86Å; F335-E591 WeakPolarHBondContact CA-OE1 3.15Å; F335-E591 HydrophobicContact CD1-CG 4.31Å; F335-E591 HydrophobicContact CD2-CG 3.87Å; F335-E591 WeakPolarHBondContact CD2-OE1 3.36Å; F335-E591 HydrophobicContact CE1-CG 4.09Å; F335-E591 HydrophobicContact CE2-CG 3.65Å; F335-E591 HydrophobicContact CG-CG 4.22Å; F335-E591 HydrophobicContact CZ-CG 3.77Å; F335-L594 HydrophobicContact CE2-CD1 3.75Å; F335-L594 HydrophobicContact CZ-CD1 4.01Å
336N97.4Very high96.9Very high65 Ų6565.4 Ų65.435%0.34835%0.353SS..  trans-98.496.6-176.7-169.1-28.4000112.4L334 M338 I339 Y340 E591L334-N336 PolarHBondContact O-N 3.32Å; N336-M338 VanDerWaalsContact C-N 3.27Å; N336-M338 PolarHBondContact O-N 3.1Å; N336-M338 WeakPolarHBondContact OD1-CB 3.48Å; N336-M338 PolarHBondContact OD1-N 3.08Å; N336-I339 HydrophobicContact CB-CB 4.31Å; N336-I339 HydrophobicContact CB-CD1 4.06Å; N336-I339 HydrophobicContact CB-CG1 4.23Å; N336-I339 VanDerWaalsContact ND2-CD1 3.29Å; N336-I339 WeakPolarHBondContact ND2-CD1 3.32Å; N336-I339 PolarHBondContact O-N 3.23Å; N336-I339 PolarHBondContact OD1-N 3.11Å; N336-Y340 PolarHBondContact O-N 3.41Å; N336-Y340 VanDerWaalsContact O-N 3.07Å; N336-E591 HydrophobicContact CB-CG 4.14Å; N336-E591 PolarHBondContact N-OE1 3.03Å
337D96.6Very high96.9Very high77 Ų7771 Ų7141%0.41238%0.376SS..Hα-helixtrans-63.5-28.6-179.8-69-46.3000114.1R316 F335 A341R316-D337 IonicContact CZ-OD1 3.31Å; R316-D337 IonicContact NE-OD1 2.77Å; R316-D337 PolarHBondContact NE-OD1 2.84Å; R316-D337 IonicContact NE-OD2 3.91Å; R316-D337 IonicContact NH2-OD1 3.96Å; R316-D337 PolarHBondContact NH2-OD1 3.35Å; F335-D337 WeakPolarHBondContact CD1-OD1 3.2Å; F335-D337 WeakPolarHBondContact CE1-OD1 3.28Å; D337-A341 WeakPolarHBondContact O-CB 3.35Å; D337-A341 PolarHBondContact O-N 2.8Å
338M97.9Very high96.9Very high103 Ų10370.4 Ų70.451%0.50737%0.373SS..Hα-helixtrans-68-42.5178-66.9-81.6-69.100111.4N336 G342 I343N336-M338 VanDerWaalsContact C-N 3.27Å; N336-M338 PolarHBondContact O-N 3.1Å; N336-M338 WeakPolarHBondContact OD1-CB 3.48Å; N336-M338 PolarHBondContact OD1-N 3.08Å; M338-G342 PolarHBondContact O-N 3.49Å; M338-I343 HydrophobicContact CE-CB 4.12Å; M338-I343 HydrophobicContact CE-CG2 3.48Å; M338-I343 VanDerWaalsContact CE-CG2 3.48Å; M338-I343 PolarHBondContact O-N 3.46Å; M338-I343 HydrophobicContact SD-CB 4.32Å; M338-I343 HydrophobicContact SD-CD1 3.84Å; M338-I343 HydrophobicContact SD-CG2 4.1Å
339I98.4Very high97.1Very high20 Ų2066.6 Ų66.610%0.10335%0.348CS..Hα-helixtrans-70-43.6177.3-62.6176.1000110.1N336 A341 G342 E591 R592N336-I339 HydrophobicContact CB-CB 4.31Å; N336-I339 HydrophobicContact CB-CD1 4.06Å; N336-I339 HydrophobicContact CB-CG1 4.23Å; N336-I339 VanDerWaalsContact ND2-CD1 3.29Å; N336-I339 WeakPolarHBondContact ND2-CD1 3.32Å; N336-I339 PolarHBondContact O-N 3.23Å; N336-I339 PolarHBondContact OD1-N 3.11Å; I339-A341 VanDerWaalsContact C-N 3.25Å; I339-A341 PolarHBondContact O-N 3.43Å; I339-G342 PolarHBondContact O-N 2.71Å; I339-E591 HydrophobicContact CB-CB 3.88Å; I339-E591 HydrophobicContact CG2-CB 3.73Å; I339-R592 HydrophobicContact CG2-CB 4.01Å
340Y98.1Very high97.3Very high16 Ų1657.4 Ų57.46%0.06331%0.312CS..Hα-helixtrans-63.4-32.4178.8173-118.7000112.7D309 A312 F335 N336 G342 L594 Y595 K598D309-Y340 VanDerWaalsContact CG-OH 3.31Å; D309-Y340 PolarHBondContact OD1-OH 3.37Å; A312-Y340 HydrophobicContact CB-CE1 3.95Å; A312-Y340 HydrophobicContact CB-CE2 4.04Å; F335-Y340 AromaticContact CE1-CD1 3.97Å; F335-Y340 HydrophobicContact CE1-CD1 3.97Å; F335-Y340 AromaticContact CE1-CG 3.92Å; F335-Y340 HydrophobicContact CE1-CG 3.92Å; F335-Y340 HydrophobicContact CZ-CD1 4.21Å; F335-Y340 HydrophobicContact CZ-CD2 4.26Å; F335-Y340 AromaticContact CZ-CG 3.86Å; F335-Y340 HydrophobicContact CZ-CG 3.86Å; N336-Y340 PolarHBondContact O-N 3.41Å; N336-Y340 VanDerWaalsContact O-N 3.07Å; Y340-G342 VanDerWaalsContact C-N 3.27Å; Y340-L594 HydrophobicContact CD2-CB 3.68Å; Y340-L594 HydrophobicContact CE2-CB 3.81Å; Y340-Y595 WeakPolarHBondContact O-CB 3.36Å; Y340-Y595 VanDerWaalsContact O-CD2 3.3Å; Y340-Y595 WeakPolarHBondContact O-CD2 3.35Å; Y340-K598 HydrophobicContact CE2-CD 4.17Å; Y340-K598 PolarHBondContact OH-NZ 3.44Å
341A97.5Very high97.4Very high58 Ų5857.3 Ų57.348%0.47931%0.311SS..THydrogen-bonded Turntrans-80.5-4172.900000113.8D337 I339 I343D337-A341 WeakPolarHBondContact O-CB 3.35Å; D337-A341 PolarHBondContact O-N 2.8Å; I339-A341 VanDerWaalsContact C-N 3.25Å; I339-A341 PolarHBondContact O-N 3.43Å; A341-I343 HydrophobicContact CB-CD1 3.82Å; A341-I343 HydrophobicContact CB-CG1 3.83Å; A341-I343 PolarHBondContact O-N 3.18Å
342G97.6Very high97.6Very high2 Ų257.7 Ų57.72%0.02131%0.308CS..THydrogen-bonded Turntrans70.613.1-177.600000114.8M338 I339 Y340 D344 K345 P346 Y595M338-G342 PolarHBondContact O-N 3.49Å; I339-G342 PolarHBondContact O-N 2.71Å; Y340-G342 VanDerWaalsContact C-N 3.27Å; G342-D344 VanDerWaalsContact C-N 3.35Å; G342-D344 PolarHBondContact O-N 2.91Å; G342-K345 CarbonylContact O-C 3.49Å; G342-K345 VanDerWaalsContact O-C 3.23Å; G342-K345 PolarHBondContact O-N 3.44Å; G342-P346 VanDerWaalsContact O-CA 3.31Å; G342-P346 WeakPolarHBondContact O-CA 3.2Å; G342-P346 VanDerWaalsContact O-N 3.11Å; G342-Y595 VanDerWaalsContact CA-CE2 3.49Å
343I97.7Very high97.7Very high105 Ų10553.5 Ų53.554%0.53828%0.279SS..  trans-67.4-38.1-174.1-64.8170.6000111.1M338 A341 K345M338-I343 HydrophobicContact CE-CB 4.12Å; M338-I343 HydrophobicContact CE-CG2 3.48Å; M338-I343 VanDerWaalsContact CE-CG2 3.48Å; M338-I343 PolarHBondContact O-N 3.46Å; M338-I343 HydrophobicContact SD-CB 4.32Å; M338-I343 HydrophobicContact SD-CD1 3.84Å; M338-I343 HydrophobicContact SD-CG2 4.1Å; A341-I343 HydrophobicContact CB-CD1 3.82Å; A341-I343 HydrophobicContact CB-CG1 3.83Å; A341-I343 PolarHBondContact O-N 3.18Å; I343-K345 VanDerWaalsContact C-N 3.34Å
344D97.1Very high97.7Very high83 Ų8351.6 Ų51.644%0.44427%0.27SS..SBendtrans-69.4-33.3-177.774.8-43.7000112.6G342 R592G342-D344 VanDerWaalsContact C-N 3.35Å; G342-D344 PolarHBondContact O-N 2.91Å; D344-R592 IonicContact OD1-CZ 3.27Å; D344-R592 IonicContact OD1-NH1 2.67Å; D344-R592 IonicContact OD1-NH2 3.59Å; D344-R592 PolarHBondContact OD1-NH2 2.91Å; D344-R592 IonicContact OD2-CZ 2.73Å; D344-R592 IonicContact OD2-NH2 2.93Å; D344-R592 PolarHBondContact OD2-NH2 2.89Å
345K97.1Very high97.8Very high74 Ų7447.3 Ų47.332%0.32225%0.248SC..  trans-153.992.4178.5-167.9175.9-176.7176.90110.1G342 I343 K347 L348 D495 R592G342-K345 CarbonylContact O-C 3.49Å; G342-K345 VanDerWaalsContact O-C 3.23Å; G342-K345 PolarHBondContact O-N 3.44Å; I343-K345 VanDerWaalsContact C-N 3.34Å; K345-K347 WeakPolarHBondContact CE-O 3.38Å; K345-K347 WeakPolarHBondContact CG-O 3.49Å; K345-L348 HydrophobicContact CB-CD2 4.19Å; K345-L348 HydrophobicContact CD-CD2 3.72Å; K345-L348 HydrophobicContact CG-CD2 3.81Å; K345-D495 WeakPolarHBondContact CE-OD2 3.23Å; K345-D495 IonicContact NZ-OD1 2.62Å; K345-D495 PolarHBondContact NZ-OD1 3.29Å; K345-D495 IonicContact NZ-OD2 2.7Å; K345-D495 PolarHBondContact NZ-OD2 3.49Å; K345-R592 PolarHBondContact O-NH1 2.81Å
346P93.7Very high97.8Very high84 Ų8446.6 Ų46.655%0.54525%0.245SC..SBendtrans-76.6-21.5-178.127.4-34.8000113.3G342 H384G342-P346 VanDerWaalsContact O-CA 3.31Å; G342-P346 WeakPolarHBondContact O-CA 3.2Å; G342-P346 VanDerWaalsContact O-N 3.11Å; P346-H384 PolarHBondContact O-CE1 3.36Å
347K97.7Very high97.5Very high150 Ų15050.2 Ų50.265%0.65226%0.26SS*.SBendtrans-113.5115176.3-66.8-175.8-179.4-179.50110K345K345-K347 WeakPolarHBondContact CE-O 3.38Å; K345-K347 WeakPolarHBondContact CG-O 3.49Å
348L98.6Very high97.3Very high1 Ų148.3 Ų48.31%0.00525%0.25CS..  trans-104.6153.9-177.6-60.9174000111.6K345 I350 H384 I385 D495 Y595 V596K345-L348 HydrophobicContact CB-CD2 4.19Å; K345-L348 HydrophobicContact CD-CD2 3.72Å; K345-L348 HydrophobicContact CG-CD2 3.81Å; L348-I350 HydrophobicContact CB-CD1 4.05Å; L348-I350 HydrophobicContact CB-CG1 3.78Å; L348-I350 HydrophobicContact CD1-CD1 4.31Å; L348-H384 PolarHBondContact N-ND1 2.86Å; L348-H384 WeakPolarHBondContact O-CB 3.14Å; L348-I385 PolarHBondContact O-N 3.42Å; L348-D495 WeakPolarHBondContact CA-OD2 3.32Å; L348-D495 HydrophobicContact CB-CB 4.25Å; L348-D495 HydrophobicContact CD2-CB 3.84Å; L348-Y595 HydrophobicContact CD1-CD1 3.97Å; L348-Y595 HydrophobicContact CD1-CE1 3.86Å; L348-V596 HydrophobicContact CD1-CG2 3.57Å
349T98.8Very high96.8Very high22 Ų2247.5 Ų47.514%0.13525%0.252CS..EExtended strand (participates in β ladder)trans-100.3113.1163.1-51.50000108I385 L387 L494 D495T349-I385 CarbonylContact C-O 3.43Å; T349-I385 WeakPolarHBondContact CA-O 3.2Å; T349-I385 HydrophobicContact CG2-CB 4.31Å; T349-I385 HydrophobicContact CG2-CG2 4.14Å; T349-L387 HydrophobicContact CG2-CD1 3.51Å; T349-L387 HydrophobicContact CG2-CG 4.12Å; T349-L494 HydrophobicContact CG2-CD2 3.86Å; T349-L494 WeakPolarHBondContact O-CA 3.47Å; T349-D495 PolarHBondContact N-OD2 3.14Å; T349-D495 PolarHBondContact O-N 2.93Å
350I98.9Very high96.2Very high0 Ų048.2 Ų48.20%026%0.256CS..EExtended strand (participates in β ladder)trans-116.9122.5-171.7-59176.7000108.5L348 L379 H384 I385 L386 L387 A496 I498 V596L348-I350 HydrophobicContact CB-CD1 4.05Å; L348-I350 HydrophobicContact CB-CG1 3.78Å; L348-I350 HydrophobicContact CD1-CD1 4.31Å; I350-L379 HydrophobicContact CD1-CD1 4.05Å; I350-H384 HydrophobicContact CD1-CB 4.18Å; I350-I385 PolarHBondContact N-O 3.17Å; I350-L386 HydrophobicContact CB-CD1 3.87Å; I350-L386 HydrophobicContact CG2-CD1 3.94Å; I350-L386 WeakPolarHBondContact O-CA 3.26Å; I350-L387 PolarHBondContact O-N 3.35Å; I350-A496 CarbonylContact C-O 3.46Å; I350-A496 WeakPolarHBondContact CA-O 3.17Å; I350-A496 HydrophobicContact CG1-CB 4.39Å; I350-I498 HydrophobicContact CG2-CB 4.32Å; I350-I498 HydrophobicContact CG2-CG2 3.91Å; I350-V596 HydrophobicContact CD1-CG1 4.12Å; I350-V596 HydrophobicContact CD1-CG2 4.2Å
351G98.8Very high95.9Very high0 Ų047.9 Ų47.90%026%0.255CS..EExtended strand (participates in β ladder)trans-75.4148.4172.500000110.7L387 A496 I497 I498G351-L387 CarbonylContact C-O 3.45Å; G351-L387 VanDerWaalsContact CA-O 3.22Å; G351-L387 WeakPolarHBondContact CA-O 3.36Å; G351-A496 PolarHBondContact N-O 3.17Å; G351-I497 CarbonylContact O-C 3.5Å; G351-I497 VanDerWaalsContact O-CA 3.23Å; G351-I497 WeakPolarHBondContact O-CA 3.43Å; G351-I498 PolarHBondContact O-N 2.9Å
352Y98.8Very high95.7Very high50 Ų5045.2 Ų45.220%0.19623%0.233CC..EExtended strand (participates in β ladder)trans-140.3148.9172.676.5-84.8000113.5V376 L386 L387 P388 F389 I498Y352-V376 HydrophobicContact CD1-CG1 4.11Å; Y352-V376 HydrophobicContact CD1-CG2 4.35Å; Y352-V376 HydrophobicContact CD2-CG1 4.32Å; Y352-V376 HydrophobicContact CD2-CG2 3.78Å; Y352-V376 HydrophobicContact CE1-CG1 4.24Å; Y352-V376 HydrophobicContact CE2-CG1 4.43Å; Y352-V376 HydrophobicContact CG-CG1 4.16Å; Y352-V376 HydrophobicContact CG-CG2 3.65Å; Y352-L386 HydrophobicContact CD1-CB 4.18Å; Y352-L386 HydrophobicContact CE1-CB 4.34Å; Y352-L387 VanDerWaalsContact CD1-O 3.23Å; Y352-L387 WeakPolarHBondContact CD1-O 3.23Å; Y352-L387 PolarHBondContact N-O 2.89Å; Y352-P388 HydrophobicContact CE1-CG 4.15Å; Y352-F389 PolarHBondContact O-N 3.3Å; Y352-I498 VanDerWaalsContact CA-O 3.29Å; Y352-I498 WeakPolarHBondContact CA-O 3.47Å; Y352-I498 VanDerWaalsContact CB-CG2 3.46Å
353Y98.7Very high95.6Very high13 Ų1346 Ų465%0.05124%0.238CC..  trans-147.8147.5165.659.3-93000110.2T355 L356 F389 P391 I497 I498 C499 P500 F526Y353-T355 VanDerWaalsContact CD2-O 3.31Å; Y353-T355 WeakPolarHBondContact CD2-O 3.3Å; Y353-L356 HydrophobicContact CD2-CD2 4.28Å; Y353-L356 HydrophobicContact CE2-CD2 3.51Å; Y353-L356 HydrophobicContact CE2-CG 4.1Å; Y353-F389 WeakPolarHBondContact CB-O 3.31Å; Y353-F389 HydrophobicContact CD1-CD1 4.13Å; Y353-F389 HydrophobicContact CE1-CD1 4.27Å; Y353-P391 HydrophobicContact CD1-CG 3.8Å; Y353-P391 HydrophobicContact CE1-CG 3.42Å; Y353-P391 VanDerWaalsContact CE1-CG 3.42Å; Y353-I497 HydrophobicContact CD1-CG2 4.12Å; Y353-I497 HydrophobicContact CE1-CG2 3.79Å; Y353-I498 PolarHBondContact N-O 3.19Å; Y353-C499 HydrophobicContact CD1-CB 3.97Å; Y353-C499 HydrophobicContact CD2-CB 3.81Å; Y353-C499 HydrophobicContact CE1-CB 3.53Å; Y353-C499 HydrophobicContact CE2-CB 3.37Å; Y353-C499 HydrophobicContact CG-CB 4.1Å; Y353-C499 PolarHBondContact OH-SG 2.99Å; Y353-C499 VanDerWaalsContact OH-SG 3.32Å; Y353-P500 WeakPolarHBondContact O-CD 3.31Å; Y353-F526 VanDerWaalsContact OH-CZ 3.31Å; Y353-F526 WeakPolarHBondContact OH-CZ 3.24Å
354V98.5Very high95.6Very high34 Ų3441 Ų4121%0.20621%0.212CC..SBendtrans-94.9-13.9-178.9-60.50000113.2S364 R369 V372 N373 P500V354-S364 WeakPolarHBondContact O-CB 3.48Å; V354-S364 PolarHBondContact O-OG 3.1Å; V354-R369 HydrophobicContact CB-CB 4.32Å; V354-R369 HydrophobicContact CB-CG 4.22Å; V354-R369 HydrophobicContact CG2-CG 4.32Å; V354-V372 HydrophobicContact CG1-CB 4.19Å; V354-V372 HydrophobicContact CG1-CG1 3.89Å; V354-N373 VanDerWaalsContact CG1-OD1 3.23Å; V354-N373 WeakPolarHBondContact CG1-OD1 3.39Å; V354-P500 WeakPolarHBondContact O-CG 3.39Å
355T98.2Very high95.7Very high18 Ų1837.1 Ų37.111%0.1119%0.191CC..SBendtrans-157.8157.3178.9-1660000110.4Y353 E357 T363 S364 Y522Y353-T355 VanDerWaalsContact CD2-O 3.31Å; Y353-T355 WeakPolarHBondContact CD2-O 3.3Å; T355-E357 HydrophobicContact CG2-CG 4.06Å; T355-T363 WeakPolarHBondContact OG1-CA 3.49Å; T355-T363 PolarHBondContact OG1-OG1 3.44Å; T355-S364 WeakPolarHBondContact CA-OG 3.37Å; T355-S364 PolarHBondContact OG1-N 2.93Å; T355-S364 PolarHBondContact OG1-OG 3.36Å; T355-Y522 PolarHBondContact OG1-OH 3.28Å
356L97Very high95.7Very high3 Ų334.3 Ų34.32%0.01618%0.181CC..  trans-82115.1167.2-67.6176.7000108.7Y353 D358 I361 P391 I394 A521 Y522Y353-L356 HydrophobicContact CD2-CD2 4.28Å; Y353-L356 HydrophobicContact CE2-CD2 3.51Å; Y353-L356 HydrophobicContact CE2-CG 4.1Å; L356-D358 PolarHBondContact O-N 3.28Å; L356-I361 HydrophobicContact CB-CG2 3.79Å; L356-I361 HydrophobicContact CD1-CG2 4.08Å; L356-P391 HydrophobicContact CD2-CG 4.15Å; L356-I394 HydrophobicContact CB-CG2 4.18Å; L356-I394 HydrophobicContact CD1-CG2 3.97Å; L356-I394 HydrophobicContact CD2-CD1 4.05Å; L356-I394 HydrophobicContact CD2-CG1 4.07Å; L356-I394 HydrophobicContact CD2-CG2 4.32Å; L356-I394 HydrophobicContact CG-CG2 4.39Å; L356-A521 HydrophobicContact CD1-CB 4.43Å; L356-Y522 HydrophobicContact CB-CE1 4.49Å; L356-Y522 HydrophobicContact CB-CE2 4.39Å; L356-Y522 HydrophobicContact CD1-CD1 4.11Å; L356-Y522 HydrophobicContact CD1-CD2 3.85Å; L356-Y522 HydrophobicContact CD1-CE1 4.26Å; L356-Y522 HydrophobicContact CD1-CE2 3.96Å; L356-Y522 HydrophobicContact CD1-CG 3.94Å; L356-Y522 HydrophobicContact CG-CD1 4.14Å; L356-Y522 HydrophobicContact CG-CD2 4.49Å; L356-Y522 HydrophobicContact CG-CE1 3.9Å; L356-Y522 HydrophobicContact CG-CE2 4.22Å; L356-Y522 HydrophobicContact CG-CG 4.46Å; L356-Y522 PolarHBondContact N-OH 3.5Å
357E92.2Very high96Very high141 Ų14130.4 Ų30.466%0.65916%0.156SC*.  trans-83.688.6-176.5-65-175.1172.200111.2T355 H390T355-E357 HydrophobicContact CG2-CG 4.06Å; E357-H390 IonicContact OE2-CD2 2.77Å
358D92.4Very high96Very high38 Ų3823.4 Ų23.420%0.20313%0.125CC..  trans-155.9134.7170.3-171.7-63.9000110L356 L360 I361 K395L356-D358 PolarHBondContact O-N 3.28Å; D358-L360 PolarHBondContact O-N 2.91Å; D358-L360 VanDerWaalsContact O-N 3.13Å; D358-L360 WeakPolarHBondContact OD1-CB 3.25Å; D358-L360 PolarHBondContact OD1-N 2.96Å; D358-I361 HydrophobicContact CB-CB 4.09Å; D358-I361 HydrophobicContact CB-CG1 3.72Å; D358-I361 PolarHBondContact O-N 2.63Å; D358-I361 VanDerWaalsContact O-O 3.06Å; D358-K395 WeakPolarHBondContact OD2-CB 3.21Å
359P86.4Confident96Very high85 Ų8526.6 Ų26.655%0.55214%0.137SC*.THydrogen-bonded Turntrans-60.2-21.1179.2-24.834.4000115.7R453 P454P359-R453 VanDerWaalsContact O-CB 3.27Å; P359-R453 WeakPolarHBondContact O-CB 3.14Å; P359-P454 WeakPolarHBondContact O-CD 3.37Å
360L86.4Confident96Very high35 Ų3528.3 Ų28.318%0.18314%0.141CC..THydrogen-bonded Turntrans-88.2-7.6174.9-75.2153.8000112.8D358 K395 R453 P454D358-L360 PolarHBondContact O-N 2.91Å; D358-L360 VanDerWaalsContact O-N 3.13Å; D358-L360 WeakPolarHBondContact OD1-CB 3.25Å; D358-L360 PolarHBondContact OD1-N 2.96Å; L360-K395 HydrophobicContact CD1-CD 3.4Å; L360-K395 HydrophobicContact CD1-CG 3.69Å; L360-R453 HydrophobicContact CD2-CB 3.72Å; L360-R453 HydrophobicContact CD2-CG 4.22Å; L360-R453 HydrophobicContact CG-CB 4.09Å; L360-P454 WeakPolarHBondContact O-CA 3.38Å
361I91.2Very high96Very high9 Ų928.3 Ų28.35%0.04614%0.141CC..SBendtrans-107.2140.1179.9-54.3-66.8000108.4L356 D358 T363 I394 Y398 A521 Y522L356-I361 HydrophobicContact CB-CG2 3.79Å; L356-I361 HydrophobicContact CD1-CG2 4.08Å; D358-I361 HydrophobicContact CB-CB 4.09Å; D358-I361 HydrophobicContact CB-CG1 3.72Å; D358-I361 PolarHBondContact O-N 2.63Å; D358-I361 VanDerWaalsContact O-O 3.06Å; I361-T363 PolarHBondContact O-N 3.48Å; I361-I394 HydrophobicContact CD1-CG2 4.2Å; I361-I394 HydrophobicContact CG1-CG2 3.81Å; I361-Y398 HydrophobicContact CD1-CD1 3.49Å; I361-Y398 VanDerWaalsContact CD1-CD1 3.49Å; I361-Y398 HydrophobicContact CD1-CE1 4.28Å; I361-Y398 HydrophobicContact CD1-CG 3.97Å; I361-A521 HydrophobicContact CD1-CB 4.05Å; I361-A521 HydrophobicContact CG2-CB 4.15Å; I361-Y522 HydrophobicContact CG2-CE2 4.29Å
362I93.1Very high96Very high2 Ų228.3 Ų28.31%0.0114%0.141CC..PPolyproline II helixtrans-63.7133.1174.6-177.7173.7000110.1P503 F504 A519 Y522 Y563 L564 V567I362-P503 HydrophobicContact CD1-CG 4.05Å; I362-P503 HydrophobicContact CG1-CB 4.45Å; I362-P503 HydrophobicContact CG1-CG 4.25Å; I362-P503 HydrophobicContact CG2-CB 4.48Å; I362-P503 HydrophobicContact CG2-CG 3.82Å; I362-F504 HydrophobicContact CD1-CD1 4.06Å; I362-F504 HydrophobicContact CD1-CE1 3.48Å; I362-F504 VanDerWaalsContact CD1-CE1 3.48Å; I362-A519 HydrophobicContact CD1-CB 4.32Å; I362-A519 HydrophobicContact CG2-CB 3.9Å; I362-Y522 HydrophobicContact CG2-CE2 4.13Å; I362-Y522 WeakPolarHBondContact O-CE2 3.25Å; I362-Y522 PolarHBondContact O-OH 3.12Å; I362-Y522 VanDerWaalsContact O-OH 3.13Å; I362-Y563 HydrophobicContact CB-CE1 4.16Å; I362-Y563 HydrophobicContact CD1-CE1 3.9Å; I362-Y563 HydrophobicContact CG1-CE1 4.08Å; I362-L564 HydrophobicContact CG1-CD2 4.13Å; I362-V567 HydrophobicContact CD1-CB 4.31Å; I362-V567 HydrophobicContact CD1-CG1 3.74Å; I362-V567 HydrophobicContact CD1-CG2 3.61Å; I362-V567 HydrophobicContact CG1-CG1 4.27Å; I362-V567 HydrophobicContact CG1-CG2 4.39Å
363T95.7Very high96Very high20 Ų2029.2 Ų29.212%0.12315%0.149CC..PPolyproline II helixtrans-84.3151.4175.8174.70000111.5T355 I361 R369 L564 F568T355-T363 WeakPolarHBondContact OG1-CA 3.49Å; T355-T363 PolarHBondContact OG1-OG1 3.44Å; I361-T363 PolarHBondContact O-N 3.48Å; T363-R369 PolarHBondContact OG1-NH2 2.89Å; T363-L564 HydrophobicContact CG2-CD1 3.97Å; T363-L564 HydrophobicContact CG2-CD2 3.97Å; T363-F568 HydrophobicContact CG2-CE2 3.81Å; T363-F568 HydrophobicContact CG2-CZ 3.81Å
364S98.2Very high95.9Very high0 Ų032.4 Ų32.40%017%0.165CC..PPolyproline II helixtrans-64.1144171.5-49.20000112.5V354 T355 R369 P503 Y522V354-S364 WeakPolarHBondContact O-CB 3.48Å; V354-S364 PolarHBondContact O-OG 3.1Å; T355-S364 WeakPolarHBondContact CA-OG 3.37Å; T355-S364 PolarHBondContact OG1-N 2.93Å; T355-S364 PolarHBondContact OG1-OG 3.36Å; S364-R369 PolarHBondContact O-NE 2.79Å; S364-R369 PolarHBondContact O-NH2 3.42Å; S364-R369 VanDerWaalsContact O-NH2 3.12Å; S364-P503 CarbonylContact C-O 3.57Å; S364-P503 VanDerWaalsContact CA-O 3.27Å; S364-P503 WeakPolarHBondContact CA-O 3.47Å; S364-Y522 PolarHBondContact N-OH 2.67Å; S364-Y522 PolarHBondContact OG-OH 2.86Å
365V98.6Very high95.9Very high0 Ų030.8 Ų30.80%016%0.155CC..PPolyproline II helixtrans-79.7165.9174.1-56.60000111.6S367 V368 R369 P503 F504 V567 F568 Q571V365-S367 WeakPolarHBondContact CG2-OG 3.02Å; V365-S367 PolarHBondContact O-N 3.44Å; V365-V368 HydrophobicContact CG2-CB 4.36Å; V365-V368 HydrophobicContact CG2-CG2 3.96Å; V365-V368 PolarHBondContact O-N 3.09Å; V365-R369 WeakPolarHBondContact O-CG 3.33Å; V365-R369 PolarHBondContact O-N 2.84Å; V365-R369 VanDerWaalsContact O-N 3.11Å; V365-P503 WeakPolarHBondContact CG2-O 3.5Å; V365-P503 PolarHBondContact N-O 3.22Å; V365-F504 HydrophobicContact CG1-CB 3.95Å; V365-F504 HydrophobicContact CG2-CB 3.93Å; V365-V567 HydrophobicContact CG1-CG1 4.35Å; V365-F568 HydrophobicContact CB-CE1 4.44Å; V365-F568 HydrophobicContact CG1-CD1 4.41Å; V365-F568 HydrophobicContact CG1-CD2 4.32Å; V365-F568 HydrophobicContact CG1-CE1 4.28Å; V365-F568 HydrophobicContact CG1-CE2 4.18Å; V365-F568 HydrophobicContact CG1-CG 4.44Å; V365-F568 HydrophobicContact CG1-CZ 4.16Å; V365-Q571 HydrophobicContact CB-CG 4.28Å; V365-Q571 HydrophobicContact CG1-CG 3.95Å; V365-Q571 HydrophobicContact CG2-CG 4.44Å
366P98.7Very high95.9Very high16 Ų1630 Ų3010%0.10415%0.151CC..Hα-helixtrans-54.3-45.7-175.7-30.739000115.1V368 R369 R370 N548 L552P366-V368 VanDerWaalsContact C-N 3.3Å; P366-V368 PolarHBondContact O-N 3.14Å; P366-R369 PolarHBondContact O-N 2.97Å; P366-R369 VanDerWaalsContact O-N 3.15Å; P366-R370 WeakPolarHBondContact O-CB 3.44Å; P366-R370 PolarHBondContact O-N 3.2Å; P366-N548 HydrophobicContact CB-CB 4.02Å; P366-N548 HydrophobicContact CG-CB 3.88Å; P366-L552 HydrophobicContact CG-CD1 3.86Å
367S98.7Very high96Very high2 Ų233.2 Ų33.21%0.01417%0.167CC..Hα-helixtrans-57.2-43.4179.654.70000112.4V365 I371 D545V365-S367 WeakPolarHBondContact CG2-OG 3.02Å; V365-S367 PolarHBondContact O-N 3.44Å; S367-I371 WeakPolarHBondContact O-CB 3.4Å; S367-I371 WeakPolarHBondContact O-CG1 3.37Å; S367-I371 PolarHBondContact O-N 2.98Å; S367-D545 VanDerWaalsContact CA-CG 3.49Å; S367-D545 WeakPolarHBondContact CA-OD1 3.26Å; S367-D545 WeakPolarHBondContact CB-OD2 3.37Å
368V98.8Very high96.3Very high3 Ų327.9 Ų27.92%0.01814%0.143CC..Hα-helixtrans-65.9-45.3177.5172.80000111.4V365 P366 R370 I371 V372 P500 V579V365-V368 HydrophobicContact CG2-CB 4.36Å; V365-V368 HydrophobicContact CG2-CG2 3.96Å; V365-V368 PolarHBondContact O-N 3.09Å; P366-V368 VanDerWaalsContact C-N 3.3Å; P366-V368 PolarHBondContact O-N 3.14Å; V368-R370 VanDerWaalsContact C-N 3.35Å; V368-R370 PolarHBondContact O-N 2.99Å; V368-I371 PolarHBondContact O-N 3.44Å; V368-V372 VanDerWaalsContact O-CG2 3.28Å; V368-V372 WeakPolarHBondContact O-CG2 3.35Å; V368-V372 PolarHBondContact O-N 3.19Å; V368-P500 HydrophobicContact CG1-CB 3.56Å; V368-P500 HydrophobicContact CG1-CG 3.71Å; V368-V579 HydrophobicContact CG2-CG1 3.98Å
369R98.7Very high96.6Very high68 Ų6826.1 Ų26.126%0.25713%0.134SC..Hα-helixtrans-61.8-44.6179-65.6173.4-177.1166.1-1.5111.3V354 T363 S364 V365 P366 V372 N373V354-R369 HydrophobicContact CB-CB 4.32Å; V354-R369 HydrophobicContact CB-CG 4.22Å; V354-R369 HydrophobicContact CG2-CG 4.32Å; T363-R369 PolarHBondContact OG1-NH2 2.89Å; S364-R369 PolarHBondContact O-NE 2.79Å; S364-R369 PolarHBondContact O-NH2 3.42Å; S364-R369 VanDerWaalsContact O-NH2 3.12Å; V365-R369 WeakPolarHBondContact O-CG 3.33Å; V365-R369 PolarHBondContact O-N 2.84Å; V365-R369 VanDerWaalsContact O-N 3.11Å; P366-R369 PolarHBondContact O-N 2.97Å; P366-R369 VanDerWaalsContact O-N 3.15Å; R369-V372 PolarHBondContact O-N 2.76Å; R369-N373 PolarHBondContact O-N 3.47Å; R369-N373 PolarHBondContact O-ND2 3.3Å
370R98.4Very high97.1Very high57 Ų5727.2 Ų27.222%0.21513%0.127CC..Hα-helixtrans-59.1-53.3177.2179.3179.559.571.30.7110.9P366 V368 V372 N373 E374 Y540 D545P366-R370 WeakPolarHBondContact O-CB 3.44Å; P366-R370 PolarHBondContact O-N 3.2Å; V368-R370 VanDerWaalsContact C-N 3.35Å; V368-R370 PolarHBondContact O-N 2.99Å; R370-V372 VanDerWaalsContact C-N 3.31Å; R370-V372 PolarHBondContact O-N 3.31Å; R370-N373 PolarHBondContact O-N 2.98Å; R370-N373 VanDerWaalsContact O-N 3.09Å; R370-E374 WeakPolarHBondContact CD-OE1 3.48Å; R370-E374 HydrophobicContact CG-CG 4.37Å; R370-E374 WeakPolarHBondContact CG-OE1 3.25Å; R370-E374 IonicContact CZ-OE1 3.05Å; R370-E374 IonicContact NH1-OE1 3.83Å; R370-E374 PolarHBondContact NH1-OE1 3.28Å; R370-E374 IonicContact NH1-OE2 3.62Å; R370-E374 PolarHBondContact NH1-OE2 3.44Å; R370-E374 VanDerWaalsContact NH1-OE2 3.13Å; R370-E374 WeakPolarHBondContact O-CG 3.37Å; R370-E374 PolarHBondContact O-N 3.04Å; R370-Y540 PolarHBondContact NH2-O 2.96Å; R370-D545 IonicContact CZ-OD1 3.65Å; R370-D545 IonicContact CZ-OD2 2.67Å; R370-D545 IonicContact NE-OD1 3.63Å; R370-D545 PolarHBondContact NE-OD1 3Å; R370-D545 IonicContact NE-OD2 2.88Å; R370-D545 PolarHBondContact NE-OD2 3.31Å; R370-D545 IonicContact NH2-OD1 3.95Å; R370-D545 IonicContact NH2-OD2 3.86Å; R370-D545 PolarHBondContact NH2-OD2 3.13Å
371I98.1Very high97.6Very high1 Ų133.2 Ų33.21%0.00515%0.154CC..Hα-helixtrans-62.4-36.8-177.8-69.3-77.4000112.2S367 V368 S375 M538 V579 V581S367-I371 WeakPolarHBondContact O-CB 3.4Å; S367-I371 WeakPolarHBondContact O-CG1 3.37Å; S367-I371 PolarHBondContact O-N 2.98Å; V368-I371 PolarHBondContact O-N 3.44Å; I371-S375 WeakPolarHBondContact O-CB 3.35Å; I371-S375 PolarHBondContact O-N 3.04Å; I371-S375 PolarHBondContact O-OG 3.19Å; I371-M538 HydrophobicContact CG2-CB 3.65Å; I371-V579 HydrophobicContact CB-CB 4.41Å; I371-V579 HydrophobicContact CB-CG1 3.78Å; I371-V579 HydrophobicContact CG1-CB 3.91Å; I371-V579 HydrophobicContact CG1-CG1 3.75Å; I371-V579 HydrophobicContact CG2-CB 4.4Å; I371-V579 HydrophobicContact CG2-CG1 3.91Å; I371-V581 HydrophobicContact CG2-CG1 4.21Å
372V98.7Very high97.9Very high0 Ų038.5 Ų38.50%017%0.173CC..Hα-helixtrans-64.8-46.6173.4173.60000111V354 V368 R369 R370 S375 V376 P500 V581V354-V372 HydrophobicContact CG1-CB 4.19Å; V354-V372 HydrophobicContact CG1-CG1 3.89Å; V368-V372 VanDerWaalsContact O-CG2 3.28Å; V368-V372 WeakPolarHBondContact O-CG2 3.35Å; V368-V372 PolarHBondContact O-N 3.19Å; R369-V372 PolarHBondContact O-N 2.76Å; R370-V372 VanDerWaalsContact C-N 3.31Å; R370-V372 PolarHBondContact O-N 3.31Å; V372-S375 PolarHBondContact O-N 3.01Å; V372-V376 HydrophobicContact CG1-CG2 4.4Å; V372-V376 VanDerWaalsContact O-CG2 3.3Å; V372-V376 WeakPolarHBondContact O-CG2 3.5Å; V372-V376 PolarHBondContact O-N 2.8Å; V372-P500 HydrophobicContact CG2-CG 3.95Å; V372-V581 HydrophobicContact CB-CG1 4.42Å; V372-V581 HydrophobicContact CG2-CG1 3.83Å
373N98.6Very high98.1Very high68 Ų6840.1 Ų40.136%0.36419%0.19SC..Hα-helixtrans-62.9-44.9178.9-75.6-31000112.3V354 R369 R370 S375 V376 D377V354-N373 VanDerWaalsContact CG1-OD1 3.23Å; V354-N373 WeakPolarHBondContact CG1-OD1 3.39Å; R369-N373 PolarHBondContact O-N 3.47Å; R369-N373 PolarHBondContact O-ND2 3.3Å; R370-N373 PolarHBondContact O-N 2.98Å; R370-N373 VanDerWaalsContact O-N 3.09Å; N373-S375 VanDerWaalsContact C-N 3.27Å; N373-S375 PolarHBondContact O-N 2.73Å; N373-V376 WeakPolarHBondContact O-CB 3.42Å; N373-V376 PolarHBondContact O-N 3.05Å; N373-V376 VanDerWaalsContact O-N 3.16Å; N373-D377 PolarHBondContact O-N 3.38Å
374E97.8Very high98.2Very high80 Ų8039.5 Ų39.537%0.37419%0.186SC..Hα-helixtrans-58-41.7174.7-71.5169.3-173.800111.1R370 D377 I378R370-E374 WeakPolarHBondContact CD-OE1 3.48Å; R370-E374 HydrophobicContact CG-CG 4.37Å; R370-E374 WeakPolarHBondContact CG-OE1 3.25Å; R370-E374 IonicContact CZ-OE1 3.05Å; R370-E374 IonicContact NH1-OE1 3.83Å; R370-E374 PolarHBondContact NH1-OE1 3.28Å; R370-E374 IonicContact NH1-OE2 3.62Å; R370-E374 PolarHBondContact NH1-OE2 3.44Å; R370-E374 VanDerWaalsContact NH1-OE2 3.13Å; R370-E374 WeakPolarHBondContact O-CG 3.37Å; R370-E374 PolarHBondContact O-N 3.04Å; E374-D377 PolarHBondContact O-N 2.81Å; E374-I378 WeakPolarHBondContact O-CG1 3.43Å; E374-I378 PolarHBondContact O-N 3.49Å
375S98.3Very high98.2Very high1 Ų144 Ų441%0.00721%0.209CC..Hα-helixtrans-67.4-37.1177.1-56.90000112.8I371 V372 N373 D377 I378 L379 I498 M538 L600I371-S375 WeakPolarHBondContact O-CB 3.35Å; I371-S375 PolarHBondContact O-N 3.04Å; I371-S375 PolarHBondContact O-OG 3.19Å; V372-S375 PolarHBondContact O-N 3.01Å; N373-S375 VanDerWaalsContact C-N 3.27Å; N373-S375 PolarHBondContact O-N 2.73Å; S375-D377 VanDerWaalsContact C-N 3.33Å; S375-I378 PolarHBondContact O-N 3.07Å; S375-L379 WeakPolarHBondContact O-CG 3.43Å; S375-L379 PolarHBondContact O-N 3.12Å; S375-L379 VanDerWaalsContact O-N 3.11Å; S375-I498 VanDerWaalsContact CB-CD1 3.5Å; S375-M538 WeakPolarHBondContact OG-CG 3.45Å; S375-L600 WeakPolarHBondContact O-CD2 3.45Å
376V98.7Very high98.2Very high2 Ų244.7 Ų44.71%0.01221%0.213CC..Hα-helixtrans-62-43172.41650000110.5Y352 V372 N373 L379 R380 L386 I498Y352-V376 HydrophobicContact CD1-CG1 4.11Å; Y352-V376 HydrophobicContact CD1-CG2 4.35Å; Y352-V376 HydrophobicContact CD2-CG1 4.32Å; Y352-V376 HydrophobicContact CD2-CG2 3.78Å; Y352-V376 HydrophobicContact CE1-CG1 4.24Å; Y352-V376 HydrophobicContact CE2-CG1 4.43Å; Y352-V376 HydrophobicContact CG-CG1 4.16Å; Y352-V376 HydrophobicContact CG-CG2 3.65Å; V372-V376 HydrophobicContact CG1-CG2 4.4Å; V372-V376 VanDerWaalsContact O-CG2 3.3Å; V372-V376 WeakPolarHBondContact O-CG2 3.5Å; V372-V376 PolarHBondContact O-N 2.8Å; N373-V376 WeakPolarHBondContact O-CB 3.42Å; N373-V376 PolarHBondContact O-N 3.05Å; N373-V376 VanDerWaalsContact O-N 3.16Å; V376-L379 PolarHBondContact O-N 2.98Å; V376-R380 PolarHBondContact O-N 2.8Å; V376-L386 HydrophobicContact CG1-CB 4.06Å; V376-L386 HydrophobicContact CG1-CD1 4.06Å; V376-L386 HydrophobicContact CG1-CG 3.89Å; V376-L386 HydrophobicContact CG2-CD1 4.44Å; V376-I498 HydrophobicContact CG2-CD1 4.47Å; V376-I498 HydrophobicContact CG2-CG2 3.71Å
377D98.3Very high98.2Very high69 Ų6946.6 Ų46.637%0.36922%0.222SC..Hα-helixtrans-66.4-40.6178.8-69.1-22.8000111.9N373 E374 S375 L379 R380 Q381N373-D377 PolarHBondContact O-N 3.38Å; E374-D377 PolarHBondContact O-N 2.81Å; S375-D377 VanDerWaalsContact C-N 3.33Å; D377-L379 PolarHBondContact O-N 3.5Å; D377-R380 PolarHBondContact O-N 3.28Å; D377-R380 IonicContact OD1-CZ 2.72Å; D377-R380 IonicContact OD1-NH1 2.77Å; D377-R380 PolarHBondContact OD1-NH1 3.29Å; D377-Q381 VanDerWaalsContact O-CG 3.25Å; D377-Q381 WeakPolarHBondContact O-CG 3.21Å; D377-Q381 PolarHBondContact O-N 2.71Å
378I97.8Very high98.2Very high30 Ų3050.1 Ų50.115%0.15425%0.245CC..Hα-helixtrans-55-51.2171.5-72.8168.3000110.5E374 S375 R380 Q381 R382 M538 L600 S603E374-I378 WeakPolarHBondContact O-CG1 3.43Å; E374-I378 PolarHBondContact O-N 3.49Å; S375-I378 PolarHBondContact O-N 3.07Å; I378-R380 VanDerWaalsContact C-N 3.31Å; I378-R380 PolarHBondContact O-N 2.99Å; I378-Q381 WeakPolarHBondContact O-CB 3.47Å; I378-Q381 PolarHBondContact O-N 3.07Å; I378-R382 WeakPolarHBondContact O-CG 3.44Å; I378-R382 PolarHBondContact O-N 3.33Å; I378-M538 HydrophobicContact CD1-CE 3.77Å; I378-L600 HydrophobicContact CB-CD2 4.28Å; I378-L600 HydrophobicContact CG2-CD2 4Å; I378-S603 VanDerWaalsContact CG2-CB 3.47Å
379L98.4Very high98.2Very high0 Ų050.1 Ų50.10%024%0.244CC..Hα-helixtrans-64.5-35.3-179.4-70.9174.2000112.4I350 S375 V376 D377 R382 G383 H384 L386 I498 V596 E599 L600I350-L379 HydrophobicContact CD1-CD1 4.05Å; S375-L379 WeakPolarHBondContact O-CG 3.43Å; S375-L379 PolarHBondContact O-N 3.12Å; S375-L379 VanDerWaalsContact O-N 3.11Å; V376-L379 PolarHBondContact O-N 2.98Å; D377-L379 PolarHBondContact O-N 3.5Å; L379-R382 PolarHBondContact O-N 3.06Å; L379-G383 PolarHBondContact O-N 3.49Å; L379-H384 PolarHBondContact O-CD2 3.01Å; L379-H384 VanDerWaalsContact O-CD2 3.25Å; L379-H384 PolarHBondContact O-N 3.01Å; L379-L386 HydrophobicContact CB-CD1 4.27Å; L379-L386 HydrophobicContact CB-CD2 3.98Å; L379-L386 HydrophobicContact CB-CG 4.44Å; L379-I498 HydrophobicContact CD1-CD1 3.91Å; L379-V596 HydrophobicContact CD1-CG1 3.89Å; L379-V596 HydrophobicContact CD2-CG1 3.88Å; L379-E599 HydrophobicContact CD2-CB 4.33Å; L379-L600 HydrophobicContact CD1-CD1 4.46Å; L379-L600 HydrophobicContact CD1-CD2 4.18Å; L379-L600 HydrophobicContact CD1-CG 4.39Å; L379-L600 HydrophobicContact CD2-CD2 4.09Å; L379-L600 HydrophobicContact CD2-CG 4.07Å; L379-L600 HydrophobicContact CG-CD2 3.78Å; L379-L600 HydrophobicContact CG-CG 4.21Å
380R98.1Very high98.1Very high109 Ų10952.4 Ų52.441%0.41126%0.258SS..Hα-helixtrans-65.2-42.3174.2-168.3-177.8-64114.92.3111.3V376 D377 I378 R382 G383 L386V376-R380 PolarHBondContact O-N 2.8Å; D377-R380 PolarHBondContact O-N 3.28Å; D377-R380 IonicContact OD1-CZ 2.72Å; D377-R380 IonicContact OD1-NH1 2.77Å; D377-R380 PolarHBondContact OD1-NH1 3.29Å; I378-R380 VanDerWaalsContact C-N 3.31Å; I378-R380 PolarHBondContact O-N 2.99Å; R380-R382 PolarHBondContact O-N 3.02Å; R380-G383 PolarHBondContact O-N 3.38Å; R380-L386 HydrophobicContact CB-CD2 4.09Å; R380-L386 HydrophobicContact CB-CG 4.41Å
381Q97.4Very high98.1Very high160 Ų16050.6 Ų50.675%0.74825%0.253SS*.Hα-helixtrans-63.9-29.8176.7-71168.816.600112.4D377 I378 G383D377-Q381 VanDerWaalsContact O-CG 3.25Å; D377-Q381 WeakPolarHBondContact O-CG 3.21Å; D377-Q381 PolarHBondContact O-N 2.71Å; I378-Q381 WeakPolarHBondContact O-CB 3.47Å; I378-Q381 PolarHBondContact O-N 3.07Å; Q381-G383 PolarHBondContact O-N 3.35Å
382R96.3Very high98.1Very high120 Ų12052 Ų5245%0.45326%0.262SS..THydrogen-bonded Turntrans-76.9-0.3172-63.1-167.777.682.99.1114.3I378 L379 R380 E599 S603I378-R382 WeakPolarHBondContact O-CG 3.44Å; I378-R382 PolarHBondContact O-N 3.33Å; L379-R382 PolarHBondContact O-N 3.06Å; R380-R382 PolarHBondContact O-N 3.02Å; R382-E599 WeakPolarHBondContact CD-OE1 3.44Å; R382-E599 IonicContact CZ-OE1 3.32Å; R382-E599 IonicContact NE-OE1 3.75Å; R382-E599 PolarHBondContact NE-OE1 3.02Å; R382-E599 IonicContact NH2-OE1 3.76Å; R382-S603 WeakPolarHBondContact CD-OG 3.23Å; R382-S603 PolarHBondContact NH1-OG 3.48Å
383G97.4Very high97.9Very high36 Ų3656.4 Ų56.437%0.37129%0.286SS..THydrogen-bonded Turntrans91.712.717200000115L379 R380 Q381L379-G383 PolarHBondContact O-N 3.49Å; R380-G383 PolarHBondContact O-N 3.38Å; Q381-G383 PolarHBondContact O-N 3.35Å
384H98.5Very high97.8Very high7 Ų753.7 Ų53.73%0.03227%0.272CS..  trans-77.5158.3168.2-52.1-50.1000111.6P346 L348 I350 L379 L386 E599P346-H384 PolarHBondContact O-CE1 3.36Å; L348-H384 PolarHBondContact N-ND1 2.86Å; L348-H384 WeakPolarHBondContact O-CB 3.14Å; I350-H384 HydrophobicContact CD1-CB 4.18Å; L379-H384 PolarHBondContact O-CD2 3.01Å; L379-H384 VanDerWaalsContact O-CD2 3.25Å; L379-H384 PolarHBondContact O-N 3.01Å; H384-L386 HydrophobicContact CB-CD2 3.78Å; H384-L386 WeakPolarHBondContact O-CD2 3.27Å; H384-E599 IonicContact CE1-OE1 2.84Å; H384-E599 IonicContact CE1-OE2 3.05Å; H384-E599 PolarHBondContact CE1-OE2 3.11Å; H384-E599 IonicContact NE2-OE1 3.5Å; H384-E599 IonicContact NE2-OE2 2.68Å; H384-E599 PolarHBondContact NE2-OE2 3.36Å
385I98.7Very high97.6Very high95 Ų9553 Ų5349%0.48727%0.268SS..EExtended strand (participates in β ladder)trans-92.3122.5173.4-59170.9000107.5L348 T349 I350 L387L348-I385 PolarHBondContact O-N 3.42Å; T349-I385 CarbonylContact C-O 3.43Å; T349-I385 WeakPolarHBondContact CA-O 3.2Å; T349-I385 HydrophobicContact CG2-CB 4.31Å; T349-I385 HydrophobicContact CG2-CG2 4.14Å; I350-I385 PolarHBondContact N-O 3.17Å; I385-L387 HydrophobicContact CG2-CD1 4.35Å; I385-L387 HydrophobicContact CG2-CD2 3.97Å; I385-L387 HydrophobicContact CG2-CG 3.99Å
386L98.8Very high97.4Very high15 Ų1555.8 Ų55.88%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-112117.7-178.4-77.7-70000109.1I350 Y352 V376 L379 R380 H384 I498I350-L386 HydrophobicContact CB-CD1 3.87Å; I350-L386 HydrophobicContact CG2-CD1 3.94Å; I350-L386 WeakPolarHBondContact O-CA 3.26Å; Y352-L386 HydrophobicContact CD1-CB 4.18Å; Y352-L386 HydrophobicContact CE1-CB 4.34Å; V376-L386 HydrophobicContact CG1-CB 4.06Å; V376-L386 HydrophobicContact CG1-CD1 4.06Å; V376-L386 HydrophobicContact CG1-CG 3.89Å; V376-L386 HydrophobicContact CG2-CD1 4.44Å; L379-L386 HydrophobicContact CB-CD1 4.27Å; L379-L386 HydrophobicContact CB-CD2 3.98Å; L379-L386 HydrophobicContact CB-CG 4.44Å; R380-L386 HydrophobicContact CB-CD2 4.09Å; R380-L386 HydrophobicContact CB-CG 4.41Å; H384-L386 HydrophobicContact CB-CD2 3.78Å; H384-L386 WeakPolarHBondContact O-CD2 3.27Å; L386-I498 HydrophobicContact CD1-CG2 4.34Å
387L98.7Very high97.3Very high55 Ų5555.7 Ų55.729%0.28828%0.278SS..EExtended strand (participates in β ladder)trans-119.2137.2-176.5-59.1178.1000110.6T349 I350 G351 Y352 I385 F389 A491 L494T349-L387 HydrophobicContact CG2-CD1 3.51Å; T349-L387 HydrophobicContact CG2-CG 4.12Å; I350-L387 PolarHBondContact O-N 3.35Å; G351-L387 CarbonylContact C-O 3.45Å; G351-L387 VanDerWaalsContact CA-O 3.22Å; G351-L387 WeakPolarHBondContact CA-O 3.36Å; Y352-L387 VanDerWaalsContact CD1-O 3.23Å; Y352-L387 WeakPolarHBondContact CD1-O 3.23Å; Y352-L387 PolarHBondContact N-O 2.89Å; I385-L387 HydrophobicContact CG2-CD1 4.35Å; I385-L387 HydrophobicContact CG2-CD2 3.97Å; I385-L387 HydrophobicContact CG2-CG 3.99Å; L387-F389 PolarHBondContact O-N 3.34Å; L387-A491 WeakPolarHBondContact CD1-O 3.23Å; L387-L494 HydrophobicContact CB-CD2 4.42Å; L387-L494 HydrophobicContact CD1-CD2 4.37Å
388P98.3Very high97.1Very high76 Ų7652.9 Ų52.949%0.49426%0.262SS..EExtended strand (participates in β ladder)trans-57.1133.2171.2-22.232.8000110.7Y352Y352-P388 HydrophobicContact CE1-CG 4.15Å
389F98.5Very high96.8Very high3 Ų353.2 Ų53.21%0.01326%0.263CS..  trans-126.9130.1178.2178.2-115.4000110.3Y352 Y353 L387 P391 F484 A487 M488 A491 L494 I497Y352-F389 PolarHBondContact O-N 3.3Å; Y353-F389 WeakPolarHBondContact CB-O 3.31Å; Y353-F389 HydrophobicContact CD1-CD1 4.13Å; Y353-F389 HydrophobicContact CE1-CD1 4.27Å; L387-F389 PolarHBondContact O-N 3.34Å; F389-P391 HydrophobicContact CD1-CG 4Å; F389-P391 HydrophobicContact CE1-CB 4.29Å; F389-P391 HydrophobicContact CE1-CG 3.74Å; F389-P391 WeakPolarHBondContact O-CD 3.43Å; F389-F484 HydrophobicContact CE1-CE1 4.36Å; F389-F484 AromaticContact CE1-CE2 4Å; F389-F484 HydrophobicContact CE1-CE2 4Å; F389-F484 AromaticContact CE1-CZ 3.67Å; F389-F484 HydrophobicContact CE1-CZ 3.67Å; F389-F484 HydrophobicContact CZ-CE1 4.28Å; F389-F484 HydrophobicContact CZ-CE2 4.11Å; F389-F484 AromaticContact CZ-CZ 3.91Å; F389-F484 HydrophobicContact CZ-CZ 3.91Å; F389-A487 HydrophobicContact CE2-CB 3.93Å; F389-A487 HydrophobicContact CZ-CB 4.31Å; F389-M488 HydrophobicContact CE2-CG 4Å; F389-M488 HydrophobicContact CZ-CG 3.83Å; F389-A491 HydrophobicContact CD2-CB 3.86Å; F389-A491 HydrophobicContact CE2-CB 4.48Å; F389-L494 HydrophobicContact CB-CD1 4.03Å; F389-L494 HydrophobicContact CD2-CD1 3.59Å; F389-L494 HydrophobicContact CE2-CD1 4.19Å; F389-L494 HydrophobicContact CG-CD1 3.79Å; F389-I497 HydrophobicContact CD1-CD1 3.74Å; F389-I497 HydrophobicContact CD1-CG1 4.06Å; F389-I497 HydrophobicContact CD1-CG2 4.17Å; F389-I497 HydrophobicContact CE1-CD1 3.46Å; F389-I497 VanDerWaalsContact CE1-CD1 3.46Å; F389-I497 HydrophobicContact CE1-CG1 4.28Å; F389-I497 HydrophobicContact CZ-CD1 4.18Å
390H96.9Very high96.6Very high116 Ų11653.4 Ų53.454%0.53726%0.263SS..  trans-114.8100.5178.5-57.885.8000108.1E357E357-H390 IonicContact OE2-CD2 2.77Å
391P97.8Very high96.4Very high19 Ų1948.2 Ų48.212%0.12324%0.244CC..  trans-50.2128.1174.9-32.238.3000111.9Y353 L356 F389 I394 F484Y353-P391 HydrophobicContact CD1-CG 3.8Å; Y353-P391 HydrophobicContact CE1-CG 3.42Å; Y353-P391 VanDerWaalsContact CE1-CG 3.42Å; L356-P391 HydrophobicContact CD2-CG 4.15Å; F389-P391 HydrophobicContact CD1-CG 4Å; F389-P391 HydrophobicContact CE1-CB 4.29Å; F389-P391 HydrophobicContact CE1-CG 3.74Å; F389-P391 WeakPolarHBondContact O-CD 3.43Å; P391-I394 HydrophobicContact CB-CD1 3.14Å; P391-I394 HydrophobicContact CB-CG1 3.7Å; P391-I394 HydrophobicContact CG-CD1 4.22Å; P391-I394 WeakPolarHBondContact O-CG1 3.42Å; P391-F484 HydrophobicContact CB-CE2 4.07Å
392P97.3Very high96.1Very high30 Ų3041.4 Ų41.420%0.19521%0.212CC..THydrogen-bonded Turntrans-69.8142.1-174.927.2-34.4000111.2I394 Y480 F484 A487P392-I394 PolarHBondContact O-N 3.3Å; P392-Y480 WeakPolarHBondContact O-CE2 3.31Å; P392-Y480 VanDerWaalsContact O-CZ 3.27Å; P392-Y480 PolarHBondContact O-OH 3.2Å; P392-F484 HydrophobicContact CG-CB 4.49Å; P392-F484 HydrophobicContact CG-CD2 4.34Å; P392-A487 HydrophobicContact CG-CB 3.95Å
393N95.7Very high95.8Very high94 Ų9438.5 Ų38.550%0.50320%0.203SC..THydrogen-bonded Turntrans41.556.8168.2-163.6-7000114.9K395 W396 A397 Y480N393-K395 VanDerWaalsContact C-N 3.33Å; N393-K395 PolarHBondContact O-N 3.15Å; N393-W396 HydrophobicContact CB-CB 4.37Å; N393-W396 WeakPolarHBondContact ND2-CB 3.35Å; N393-W396 PolarHBondContact O-N 3.5Å; N393-W396 VanDerWaalsContact O-N 3.08Å; N393-W396 WeakPolarHBondContact OD1-CB 3.26Å; N393-W396 PolarHBondContact OD1-N 3.49Å; N393-A397 PolarHBondContact O-N 3.12Å; N393-A397 VanDerWaalsContact O-N 3.08Å; N393-Y480 HydrophobicContact CB-CE2 4.45Å
394I95.8Very high95.4Very high11 Ų1136.8 Ų36.86%0.05619%0.185CC..Hα-helixtrans-62.7-36.2-172.1-69.3-58.7000113.5L356 I361 P391 P392 W396 A397 Y398 L525L356-I394 HydrophobicContact CB-CG2 4.18Å; L356-I394 HydrophobicContact CD1-CG2 3.97Å; L356-I394 HydrophobicContact CD2-CD1 4.05Å; L356-I394 HydrophobicContact CD2-CG1 4.07Å; L356-I394 HydrophobicContact CD2-CG2 4.32Å; L356-I394 HydrophobicContact CG-CG2 4.39Å; I361-I394 HydrophobicContact CD1-CG2 4.2Å; I361-I394 HydrophobicContact CG1-CG2 3.81Å; P391-I394 HydrophobicContact CB-CD1 3.14Å; P391-I394 HydrophobicContact CB-CG1 3.7Å; P391-I394 HydrophobicContact CG-CD1 4.22Å; P391-I394 WeakPolarHBondContact O-CG1 3.42Å; P392-I394 PolarHBondContact O-N 3.3Å; I394-W396 VanDerWaalsContact C-N 3.26Å; I394-W396 PolarHBondContact O-N 3.37Å; I394-A397 WeakPolarHBondContact O-CB 3.32Å; I394-A397 PolarHBondContact O-N 3.18Å; I394-Y398 WeakPolarHBondContact O-CB 3.43Å; I394-Y398 PolarHBondContact O-N 2.68Å; I394-L525 HydrophobicContact CD1-CD1 4.41Å; I394-L525 HydrophobicContact CD1-CD2 3.85Å
395K93.3Very high94.8Very high66 Ų6637.4 Ų37.429%0.28719%0.189SC..Hα-helixtrans-53.6-48.1173.2177.9-156.5172.9-74.30111D358 L360 N393 Y398 E399 F460D358-K395 WeakPolarHBondContact OD2-CB 3.21Å; L360-K395 HydrophobicContact CD1-CD 3.4Å; L360-K395 HydrophobicContact CD1-CG 3.69Å; N393-K395 VanDerWaalsContact C-N 3.33Å; N393-K395 PolarHBondContact O-N 3.15Å; K395-Y398 PolarHBondContact O-N 3.34Å; K395-E399 IonicContact NZ-OE2 3.13Å; K395-E399 PolarHBondContact NZ-OE2 3.2Å; K395-E399 WeakPolarHBondContact O-CB 3.47Å; K395-E399 PolarHBondContact O-N 2.99Å; K395-F460 HydrophobicContact CG-CZ 4.42Å
396W95.1Very high94.1Very high58 Ų5833.2 Ų33.222%0.2217%0.168CC..Hα-helixtrans-66.6-43.5-179-174.939000111.3N393 I394 Y398 E399 L400 D476 F479 Y480N393-W396 HydrophobicContact CB-CB 4.37Å; N393-W396 WeakPolarHBondContact ND2-CB 3.35Å; N393-W396 PolarHBondContact O-N 3.5Å; N393-W396 VanDerWaalsContact O-N 3.08Å; N393-W396 WeakPolarHBondContact OD1-CB 3.26Å; N393-W396 PolarHBondContact OD1-N 3.49Å; I394-W396 VanDerWaalsContact C-N 3.26Å; I394-W396 PolarHBondContact O-N 3.37Å; W396-Y398 VanDerWaalsContact C-N 3.28Å; W396-Y398 PolarHBondContact O-N 3.25Å; W396-E399 WeakPolarHBondContact O-CB 3.38Å; W396-E399 PolarHBondContact O-N 2.88Å; W396-E399 VanDerWaalsContact O-N 3.15Å; W396-L400 HydrophobicContact CD2-CD1 3.98Å; W396-L400 HydrophobicContact CG-CD1 4.26Å; W396-L400 HydrophobicContact CG-CG 4.39Å; W396-L400 HydrophobicContact CZ2-CD1 4.12Å; W396-L400 VanDerWaalsContact O-CG 3.29Å; W396-L400 WeakPolarHBondContact O-CG 3.39Å; W396-L400 PolarHBondContact O-N 2.89Å; W396-D476 HydrophobicContact CZ2-CB 3.8Å; W396-F479 AromaticContact CH2-CD1 3.43Å; W396-F479 HydrophobicContact CH2-CD1 3.43Å; W396-F479 VanDerWaalsContact CH2-CD1 3.43Å; W396-F479 AromaticContact CH2-CE1 3.94Å; W396-F479 HydrophobicContact CH2-CE1 3.94Å; W396-F479 HydrophobicContact CH2-CG 4.39Å; W396-F479 AromaticContact CZ3-CD1 3.68Å; W396-F479 HydrophobicContact CZ3-CD1 3.68Å; W396-F479 AromaticContact CZ3-CE1 3.92Å; W396-F479 HydrophobicContact CZ3-CE1 3.92Å; W396-Y480 AromaticContact CE3-CD2 3.73Å; W396-Y480 HydrophobicContact CE3-CD2 3.73Å; W396-Y480 HydrophobicContact CZ3-CD2 4.06Å
397A95.9Very high93.2Very high1 Ų134.9 Ų34.91%0.00818%0.179CC..Hα-helixtrans-54.4-45.4174.500000112.4N393 I394 L400 G401 Y480 L525 M528N393-A397 PolarHBondContact O-N 3.12Å; N393-A397 VanDerWaalsContact O-N 3.08Å; I394-A397 WeakPolarHBondContact O-CB 3.32Å; I394-A397 PolarHBondContact O-N 3.18Å; A397-L400 PolarHBondContact O-N 3.4Å; A397-G401 PolarHBondContact O-N 3.38Å; A397-Y480 HydrophobicContact CB-CD1 4.36Å; A397-Y480 HydrophobicContact CB-CD2 4.26Å; A397-Y480 HydrophobicContact CB-CE1 3.67Å; A397-Y480 HydrophobicContact CB-CE2 3.56Å; A397-Y480 VanDerWaalsContact CB-OH 3.31Å; A397-Y480 WeakPolarHBondContact CB-OH 3.42Å; A397-L525 HydrophobicContact CB-CD1 3.76Å; A397-M528 HydrophobicContact CB-CE 3.82Å
398Y94.6Very high91.7Very high10 Ų1033.9 Ų33.94%0.03917%0.174CC..Hα-helixtrans-66-43.8178.7-179-137.5000111.5I361 I394 K395 W396 G401 M402 V457 F460 P518 V520 A521 V524I361-Y398 HydrophobicContact CD1-CD1 3.49Å; I361-Y398 VanDerWaalsContact CD1-CD1 3.49Å; I361-Y398 HydrophobicContact CD1-CE1 4.28Å; I361-Y398 HydrophobicContact CD1-CG 3.97Å; I394-Y398 WeakPolarHBondContact O-CB 3.43Å; I394-Y398 PolarHBondContact O-N 2.68Å; K395-Y398 PolarHBondContact O-N 3.34Å; W396-Y398 VanDerWaalsContact C-N 3.28Å; W396-Y398 PolarHBondContact O-N 3.25Å; Y398-G401 PolarHBondContact O-N 3.45Å; Y398-M402 HydrophobicContact CD2-CG 3.63Å; Y398-M402 HydrophobicContact CD2-SD 4.29Å; Y398-M402 HydrophobicContact CE2-CG 3.23Å; Y398-M402 HydrophobicContact CE2-SD 3.57Å; Y398-M402 VanDerWaalsContact CE2-SD 3.57Å; Y398-M402 HydrophobicContact CG-CG 4.47Å; Y398-M402 WeakPolarHBondContact O-CB 3.46Å; Y398-M402 VanDerWaalsContact O-CG 3.25Å; Y398-M402 WeakPolarHBondContact O-CG 3.49Å; Y398-M402 PolarHBondContact O-N 3.18Å; Y398-V457 HydrophobicContact CE1-CB 4.08Å; Y398-V457 HydrophobicContact CE1-CG1 3.82Å; Y398-V457 HydrophobicContact CE1-CG2 4.46Å; Y398-F460 AromaticContact CD1-CD2 3.82Å; Y398-F460 HydrophobicContact CD1-CD2 3.82Å; Y398-F460 AromaticContact CD1-CE2 3.7Å; Y398-F460 HydrophobicContact CD1-CE2 3.7Å; Y398-F460 AromaticContact CE1-CD2 3.93Å; Y398-F460 HydrophobicContact CE1-CD2 3.93Å; Y398-F460 HydrophobicContact CE1-CE2 4.12Å; Y398-F460 HydrophobicContact CG-CD2 4.44Å; Y398-F460 HydrophobicContact CG-CE2 4.45Å; Y398-P518 WeakPolarHBondContact OH-CA 3.33Å; Y398-V520 HydrophobicContact CE2-CG2 4.12Å; Y398-A521 HydrophobicContact CD1-CB 4.29Å; Y398-A521 HydrophobicContact CD2-CB 3.67Å; Y398-A521 HydrophobicContact CE1-CB 4.48Å; Y398-A521 HydrophobicContact CE2-CB 3.9Å; Y398-A521 HydrophobicContact CG-CB 3.9Å; Y398-V524 HydrophobicContact CD2-CG1 3.84Å; Y398-V524 HydrophobicContact CE2-CG1 4.28Å
399E92.6Very high90.3Very high37 Ų3731.1 Ų31.117%0.17316%0.155CC..Hα-helixtrans-59-47.3174.9-176.4172.7168.500112.1K395 W396 M402 K403 F460K395-E399 IonicContact NZ-OE2 3.13Å; K395-E399 PolarHBondContact NZ-OE2 3.2Å; K395-E399 WeakPolarHBondContact O-CB 3.47Å; K395-E399 PolarHBondContact O-N 2.99Å; W396-E399 WeakPolarHBondContact O-CB 3.38Å; W396-E399 PolarHBondContact O-N 2.88Å; W396-E399 VanDerWaalsContact O-N 3.15Å; E399-M402 PolarHBondContact O-N 3.43Å; E399-K403 HydrophobicContact CG-CD 4.24Å; E399-K403 WeakPolarHBondContact O-CB 3.47Å; E399-K403 VanDerWaalsContact O-CG 3.28Å; E399-K403 WeakPolarHBondContact O-CG 3.47Å; E399-K403 PolarHBondContact O-N 3Å; E399-K403 WeakPolarHBondContact OE1-CE 3.45Å; E399-K403 IonicContact OE1-NZ 3.8Å; E399-K403 PolarHBondContact OE1-NZ 3.21Å; E399-F460 HydrophobicContact CB-CD1 4.1Å; E399-F460 HydrophobicContact CB-CD2 4.04Å; E399-F460 HydrophobicContact CB-CE1 3.94Å; E399-F460 HydrophobicContact CB-CE2 3.86Å; E399-F460 HydrophobicContact CB-CG 4.16Å; E399-F460 HydrophobicContact CB-CZ 3.82Å; E399-F460 HydrophobicContact CG-CD1 3.67Å; E399-F460 HydrophobicContact CG-CD2 4.46Å; E399-F460 HydrophobicContact CG-CE1 3.72Å; E399-F460 HydrophobicContact CG-CE2 4.49Å; E399-F460 HydrophobicContact CG-CG 4.08Å; E399-F460 HydrophobicContact CG-CZ 4.14Å
400L93.8Very high88.8Confident3 Ų334 Ų342%0.01617%0.168CC..Hα-helixtrans-60.6-49.5177.5-68.4175.8000111.6W396 A397 M402 K403 A404 L473 D476 I477 Y480 M528W396-L400 HydrophobicContact CD2-CD1 3.98Å; W396-L400 HydrophobicContact CG-CD1 4.26Å; W396-L400 HydrophobicContact CG-CG 4.39Å; W396-L400 HydrophobicContact CZ2-CD1 4.12Å; W396-L400 VanDerWaalsContact O-CG 3.29Å; W396-L400 WeakPolarHBondContact O-CG 3.39Å; W396-L400 PolarHBondContact O-N 2.89Å; A397-L400 PolarHBondContact O-N 3.4Å; L400-M402 PolarHBondContact O-N 3.36Å; L400-K403 PolarHBondContact O-N 2.91Å; L400-A404 WeakPolarHBondContact O-CB 3.37Å; L400-A404 PolarHBondContact O-N 2.96Å; L400-L473 HydrophobicContact CB-CD1 4.37Å; L400-L473 HydrophobicContact CD2-CD1 3.6Å; L400-D476 HydrophobicContact CD1-CB 4.2Å; L400-D476 HydrophobicContact CD2-CB 3.52Å; L400-I477 HydrophobicContact CB-CG1 4.1Å; L400-I477 HydrophobicContact CD1-CG1 4.45Å; L400-Y480 HydrophobicContact CD1-CG 4.42Å; L400-M528 HydrophobicContact CB-SD 3.49Å; L400-M528 WeakPolarHBondContact CB-SD 3.33Å; L400-M528 HydrophobicContact CD1-SD 4.24Å
401G93.5Very high87.5Confident0 Ų036.6 Ų36.60%017%0.174CC..Hα-helixtrans-59.9-44.8179.200000112.8L297 A397 Y398 A404 I405L297-G401 WeakPolarHBondContact CD1-O 3.32Å; A397-G401 PolarHBondContact O-N 3.38Å; Y398-G401 PolarHBondContact O-N 3.45Å; G401-A404 PolarHBondContact O-N 3.07Å; G401-I405 WeakPolarHBondContact O-CG1 3.22Å; G401-I405 PolarHBondContact O-N 3.41Å
402M90.8Very high86.6Confident18 Ų1837.5 Ų37.59%0.08918%0.176CC..Hα-helixtrans-69.4-37.8179.4-67.5-51.6-63.300112.8Y398 E399 L400 A404 I405 S406 F460 L461 V520Y398-M402 HydrophobicContact CD2-CG 3.63Å; Y398-M402 HydrophobicContact CD2-SD 4.29Å; Y398-M402 HydrophobicContact CE2-CG 3.23Å; Y398-M402 HydrophobicContact CE2-SD 3.57Å; Y398-M402 VanDerWaalsContact CE2-SD 3.57Å; Y398-M402 HydrophobicContact CG-CG 4.47Å; Y398-M402 WeakPolarHBondContact O-CB 3.46Å; Y398-M402 VanDerWaalsContact O-CG 3.25Å; Y398-M402 WeakPolarHBondContact O-CG 3.49Å; Y398-M402 PolarHBondContact O-N 3.18Å; E399-M402 PolarHBondContact O-N 3.43Å; L400-M402 PolarHBondContact O-N 3.36Å; M402-A404 VanDerWaalsContact C-N 3.33Å; M402-I405 PolarHBondContact O-N 2.82Å; M402-I405 HydrophobicContact SD-CD1 4.18Å; M402-S406 WeakPolarHBondContact O-CB 3.39Å; M402-S406 PolarHBondContact O-N 2.74Å; M402-S406 PolarHBondContact O-OG 3.35Å; M402-F460 CarbonylContact C-O 3.59Å; M402-F460 HydrophobicContact CB-CB 3.83Å; M402-F460 HydrophobicContact CG-CB 4.44Å; M402-L461 HydrophobicContact CE-CD2 3.43Å; M402-L461 VanDerWaalsContact CE-CD2 3.43Å; M402-V520 HydrophobicContact CE-CG2 4.48Å; M402-V520 HydrophobicContact SD-CG2 3.92Å
403K89.2Confident85.9Confident58 Ų5836 Ų3625%0.25217%0.167SC..Hα-helixtrans-61.8-43.3172-75.3179-177.2170.70111E399 L400 I405 S406 V407 F460 L473E399-K403 HydrophobicContact CG-CD 4.24Å; E399-K403 WeakPolarHBondContact O-CB 3.47Å; E399-K403 VanDerWaalsContact O-CG 3.28Å; E399-K403 WeakPolarHBondContact O-CG 3.47Å; E399-K403 PolarHBondContact O-N 3Å; E399-K403 WeakPolarHBondContact OE1-CE 3.45Å; E399-K403 IonicContact OE1-NZ 3.8Å; E399-K403 PolarHBondContact OE1-NZ 3.21Å; L400-K403 PolarHBondContact O-N 2.91Å; K403-I405 PolarHBondContact O-N 3.27Å; K403-S406 PolarHBondContact O-N 2.71Å; K403-V407 WeakPolarHBondContact O-CG2 3.28Å; K403-V407 PolarHBondContact O-N 2.69Å; K403-F460 PolarHBondContact N-O 2.79Å; K403-L473 HydrophobicContact CB-CD1 4.04Å; K403-L473 HydrophobicContact CB-CD2 3.86Å
404A89.4Confident85.3Confident0 Ų035.7 Ų35.70%016%0.163CC..Hα-helixtrans-63.8-38179.500000113.3L296 L297 L400 G401 M402 S406 L473 I477L296-A404 HydrophobicContact CB-CB 3.87Å; L297-A404 HydrophobicContact CB-CB 4.41Å; L297-A404 HydrophobicContact CD1-CB 3.49Å; L297-A404 VanDerWaalsContact CD1-CB 3.49Å; L297-A404 HydrophobicContact CG-CB 3.72Å; L400-A404 WeakPolarHBondContact O-CB 3.37Å; L400-A404 PolarHBondContact O-N 2.96Å; G401-A404 PolarHBondContact O-N 3.07Å; M402-A404 VanDerWaalsContact C-N 3.33Å; A404-S406 VanDerWaalsContact C-N 3.3Å; A404-L473 HydrophobicContact CB-CD2 4.45Å; A404-I477 HydrophobicContact CB-CD1 3.93Å
405I86.8Confident84.8Confident20 Ų2042 Ų4210%0.10319%0.192CC..Hα-helixtrans-63.7-39.5170-67.3168.3000110.3L258 A259 L297 G401 M402 K403 V407 T409 V524L258-I405 HydrophobicContact CD2-CG2 4.49Å; A259-I405 HydrophobicContact CB-CD1 3.62Å; L297-I405 HydrophobicContact CD1-CD1 4.49Å; L297-I405 HydrophobicContact CD1-CG1 3.7Å; G401-I405 WeakPolarHBondContact O-CG1 3.22Å; G401-I405 PolarHBondContact O-N 3.41Å; M402-I405 PolarHBondContact O-N 2.82Å; M402-I405 HydrophobicContact SD-CD1 4.18Å; K403-I405 PolarHBondContact O-N 3.27Å; I405-V407 VanDerWaalsContact C-N 3.34Å; I405-V407 PolarHBondContact O-N 3.19Å; I405-T409 PolarHBondContact O-OG1 2.76Å; I405-V524 HydrophobicContact CD1-CG2 3.61Å
406S84Confident84.6Confident8 Ų839.5 Ų39.56%0.05618%0.183CC..Hα-helixtrans-76.2-15.2-170.4-59.90000115.1M402 K403 A404 D408 T409 L461M402-S406 WeakPolarHBondContact O-CB 3.39Å; M402-S406 PolarHBondContact O-N 2.74Å; M402-S406 PolarHBondContact O-OG 3.35Å; K403-S406 PolarHBondContact O-N 2.71Å; A404-S406 VanDerWaalsContact C-N 3.3Å; S406-D408 PolarHBondContact O-N 3.25Å; S406-T409 PolarHBondContact O-N 2.85Å; S406-L461 WeakPolarHBondContact CB-O 3.38Å; S406-L461 WeakPolarHBondContact OG-CA 3.39Å; S406-L461 PolarHBondContact OG-O 3.48Å
407V79Confident84.5Confident50 Ų5036.8 Ų36.830%0.30317%0.173SC..Hα-helixtrans-52.1-48.8-175.9178.20000112.8L296 K403 I405 P464 L473L296-V407 HydrophobicContact CD1-CB 4.31Å; L296-V407 HydrophobicContact CD1-CG1 4.41Å; L296-V407 HydrophobicContact CD1-CG2 3.32Å; K403-V407 WeakPolarHBondContact O-CG2 3.28Å; K403-V407 PolarHBondContact O-N 2.69Å; I405-V407 VanDerWaalsContact C-N 3.34Å; I405-V407 PolarHBondContact O-N 3.19Å; V407-P464 VanDerWaalsContact CG2-CD 3.4Å; V407-P464 HydrophobicContact CG2-CG 3.77Å; V407-L473 HydrophobicContact CG2-CD2 4.21Å
408D67.2Low84.2Confident34 Ų3438.6 Ų38.618%0.18218%0.181CC..Hα-helixtrans-100.5-17.6-178-162.438.1000112.8S406 K410 H412S406-D408 PolarHBondContact O-N 3.25Å; D408-K410 PolarHBondContact O-N 3.38Å; D408-H412 IonicContact OD1-CD2 2.68Å; D408-H412 PolarHBondContact OD1-CD2 3.47Å; D408-H412 VanDerWaalsContact OD1-CD2 3.23Å; D408-H412 IonicContact OD1-NE2 2.78Å; D408-H412 IonicContact OD2-CD2 3.03Å
409T68.8Low84.2Confident17 Ų1738.3 Ų38.310%0.10418%0.181CC..Hα-helixtrans-68.2-35.4-170-57.80000112.2L212 I405 S406 Y411 V413 I433L212-T409 HydrophobicContact CD1-CG2 3.52Å; I405-T409 PolarHBondContact O-OG1 2.76Å; S406-T409 PolarHBondContact O-N 2.85Å; T409-Y411 PolarHBondContact O-N 3.03Å; T409-V413 HydrophobicContact CG2-CB 4.24Å; T409-V413 HydrophobicContact CG2-CG2 3.52Å; T409-V413 WeakPolarHBondContact O-CB 2.77Å; T409-V413 VanDerWaalsContact O-CG2 3.26Å; T409-V413 WeakPolarHBondContact O-CG2 3.42Å; T409-V413 PolarHBondContact O-N 3.48Å; T409-V413 VanDerWaalsContact O-N 3.08Å; T409-I433 HydrophobicContact CG2-CD1 4.17Å
410K68.1Low84.4Confident65 Ų6537 Ų3728%0.28318%0.175SC..Hα-helixtrans-60.1-53.1-167.5-170.7172.2-174.5169.90113.9D408 Q414 I433D408-K410 PolarHBondContact O-N 3.38Å; K410-Q414 VanDerWaalsContact O-CB 3.31Å; K410-Q414 WeakPolarHBondContact O-CB 3.45Å; K410-Q414 PolarHBondContact O-N 3.45Å; K410-I433 WeakPolarHBondContact CE-O 3.43Å; K410-I433 HydrophobicContact CG-CG2 3.98Å; K410-I433 WeakPolarHBondContact O-CG2 3.36Å
411Y68.2Low84.4Confident170 Ų17039.8 Ų39.867%0.66719%0.193SC*.Hα-helixtrans-78.9-44.2-173.9-67-75.3000112.4T409 E415T409-Y411 PolarHBondContact O-N 3.03Å; Y411-E415 PolarHBondContact O-N 2.78Å
412H78.7Confident84.3Confident37 Ų3741.3 Ų41.317%0.17120%0.201CC..Hα-helixtrans-73-38.8-174.2-68.6-51.5000112.9G290 H291 D408 A416G290-H412 VanDerWaalsContact CA-CD2 3.49Å; G290-H412 WeakPolarHBondContact CA-CD2 3.29Å; H291-H412 AromaticContact CD2-CE1 3.71Å; H291-H412 AromaticContact CD2-ND1 3.88Å; D408-H412 IonicContact OD1-CD2 2.68Å; D408-H412 PolarHBondContact OD1-CD2 3.47Å; D408-H412 VanDerWaalsContact OD1-CD2 3.23Å; D408-H412 IonicContact OD1-NE2 2.78Å; D408-H412 IonicContact OD2-CD2 3.03Å; H412-A416 WeakPolarHBondContact O-CB 3.44Å; H412-A416 PolarHBondContact O-N 3.28Å
413V84Confident84.1Confident0 Ų041.1 Ų41.10%020%0.201CC..Hα-helixtrans-69-39.6176.5176.70000110.8T210 L212 I289 T409 E415 A416 L417 I433T210-V413 HydrophobicContact CG2-CG1 4.4Å; L212-V413 HydrophobicContact CD1-CG2 3.77Å; I289-V413 HydrophobicContact CD1-CG2 4.07Å; I289-V413 HydrophobicContact CG1-CG2 4.26Å; I289-V413 HydrophobicContact CG2-CG2 4.15Å; T409-V413 HydrophobicContact CG2-CB 4.24Å; T409-V413 HydrophobicContact CG2-CG2 3.52Å; T409-V413 WeakPolarHBondContact O-CB 2.77Å; T409-V413 VanDerWaalsContact O-CG2 3.26Å; T409-V413 WeakPolarHBondContact O-CG2 3.42Å; T409-V413 PolarHBondContact O-N 3.48Å; T409-V413 VanDerWaalsContact O-N 3.08Å; V413-E415 PolarHBondContact O-N 3.01Å; V413-A416 PolarHBondContact O-N 3.28Å; V413-L417 HydrophobicContact CG1-CD1 3.64Å; V413-L417 HydrophobicContact CG1-CG 4Å; V413-L417 WeakPolarHBondContact O-CB 3.28Å; V413-L417 VanDerWaalsContact O-CG 3.24Å; V413-L417 WeakPolarHBondContact O-CG 3.3Å; V413-L417 PolarHBondContact O-N 3.18Å; V413-I433 HydrophobicContact CB-CD1 4.03Å; V413-I433 HydrophobicContact CG1-CD1 3.8Å
414Q82.4Confident83.9Confident87 Ų8744.4 Ų44.441%0.40722%0.217SC..Hα-helixtrans-58.5-47.5178.1-176.7-17713.500112K410 I433 N434K410-Q414 VanDerWaalsContact O-CB 3.31Å; K410-Q414 WeakPolarHBondContact O-CB 3.45Å; K410-Q414 PolarHBondContact O-N 3.45Å; Q414-I433 HydrophobicContact CB-CG2 4.33Å; Q414-N434 VanDerWaalsContact CG-OD1 3.26Å; Q414-N434 WeakPolarHBondContact CG-OD1 3.37Å; Q414-N434 PolarHBondContact NE2-OD1 3.43Å
415E85.6Confident83.8Confident142 Ų14245 Ų4566%0.66422%0.219SC*.Hα-helixtrans-66.5-43.1177.1-174-178.6-17800111.7Y411 V413 L417 F418Y411-E415 PolarHBondContact O-N 2.78Å; V413-E415 PolarHBondContact O-N 3.01Å; E415-L417 PolarHBondContact O-N 3.11Å; E415-F418 WeakPolarHBondContact O-CB 3.44Å; E415-F418 PolarHBondContact O-N 3.29Å; E415-F418 VanDerWaalsContact O-N 3.14Å
416A89.2Confident83.8Confident14 Ų1444 Ų4412%0.11622%0.215CC..Hα-helixtrans-60.4-33.5-179.100000112.9L176 H412 V413 F418 E420L176-A416 HydrophobicContact CD1-CB 3.86Å; H412-A416 WeakPolarHBondContact O-CB 3.44Å; H412-A416 PolarHBondContact O-N 3.28Å; V413-A416 PolarHBondContact O-N 3.28Å; A416-F418 VanDerWaalsContact C-N 3.34Å; A416-E420 VanDerWaalsContact O-CG 3.28Å; A416-E420 WeakPolarHBondContact O-CG 3.44Å
417L91.7Very high84.1Confident1 Ų148.4 Ų48.41%0.00523%0.233CC..THydrogen-bonded Turntrans-83.9-2.2179.9-66.9-178.9000114.2L176 T210 V413 E415 A419 E420 L422 T426 R430L176-L417 HydrophobicContact CD2-CD2 3.92Å; T210-L417 HydrophobicContact CG2-CD2 3.51Å; T210-L417 HydrophobicContact CG2-CG 4.23Å; V413-L417 HydrophobicContact CG1-CD1 3.64Å; V413-L417 HydrophobicContact CG1-CG 4Å; V413-L417 WeakPolarHBondContact O-CB 3.28Å; V413-L417 VanDerWaalsContact O-CG 3.24Å; V413-L417 WeakPolarHBondContact O-CG 3.3Å; V413-L417 PolarHBondContact O-N 3.18Å; E415-L417 PolarHBondContact O-N 3.11Å; L417-A419 PolarHBondContact O-N 3.42Å; L417-A419 VanDerWaalsContact O-N 3.16Å; L417-E420 PolarHBondContact O-N 3.31Å; L417-L422 HydrophobicContact CB-CD2 4.19Å; L417-L422 HydrophobicContact CD2-CD2 3.7Å; L417-L422 HydrophobicContact CG-CD2 4.37Å; L417-T426 HydrophobicContact CD1-CG2 3.75Å; L417-T426 HydrophobicContact CD2-CG2 3.62Å; L417-T426 HydrophobicContact CG-CG2 4.34Å; L417-R430 HydrophobicContact CD1-CB 4.03Å
418F91.4Very high84.4Confident39 Ų3948.8 Ų48.817%0.17123%0.23CC..THydrogen-bonded Turntrans-67116.6-177-178-99000112.1H39 K42 Y43 K46 E415 A416 E420H39-F418 AromaticContact NE2-CE2 3.77Å; K42-F418 HydrophobicContact CD-CZ 4.41Å; K42-F418 HydrophobicContact CG-CE1 4.26Å; K42-F418 HydrophobicContact CG-CZ 4.19Å; Y43-F418 HydrophobicContact CD2-CE2 4.32Å; Y43-F418 HydrophobicContact CD2-CZ 4.26Å; K46-F418 HydrophobicContact CB-CD1 4.32Å; K46-F418 HydrophobicContact CB-CE1 3.92Å; K46-F418 HydrophobicContact CG-CD1 3.93Å; K46-F418 HydrophobicContact CG-CE1 4.05Å; E415-F418 WeakPolarHBondContact O-CB 3.44Å; E415-F418 PolarHBondContact O-N 3.29Å; E415-F418 VanDerWaalsContact O-N 3.14Å; A416-F418 VanDerWaalsContact C-N 3.34Å; F418-E420 PolarHBondContact O-N 3.2Å
419A93.9Very high85.3Confident5 Ų548.5 Ų48.54%0.04123%0.229CC..THydrogen-bonded Turntrans66.58.5-176.900000116Y43 K46 K47 L50 L417Y43-A419 HydrophobicContact CD2-CB 3.78Å; Y43-A419 HydrophobicContact CE2-CB 3.77Å; K46-A419 HydrophobicContact CB-CB 4.01Å; K46-A419 HydrophobicContact CG-CB 3.7Å; K47-A419 HydrophobicContact CB-CB 4.31Å; L50-A419 HydrophobicContact CD1-CB 4.12Å; L50-A419 WeakPolarHBondContact CD1-O 3.47Å; L417-A419 PolarHBondContact O-N 3.42Å; L417-A419 VanDerWaalsContact O-N 3.16Å
420E95.6Very high86.1Confident8 Ų851.9 Ų51.94%0.03724%0.24CC..  trans-71147.5169.7-66.5-69.1161.300110.6L176 I177 N178 A416 L417 F418 L422L176-E420 HydrophobicContact CD2-CG 4.11Å; I177-E420 VanDerWaalsContact CB-OE2 3.32Å; I177-E420 WeakPolarHBondContact CB-OE2 3.44Å; I177-E420 WeakPolarHBondContact CG1-OE2 3.23Å; I177-E420 PolarHBondContact N-OE1 3.4Å; I177-E420 PolarHBondContact N-OE2 3.16Å; N178-E420 WeakPolarHBondContact CB-OE1 3.4Å; N178-E420 PolarHBondContact N-OE1 3.18Å; A416-E420 VanDerWaalsContact O-CG 3.28Å; A416-E420 WeakPolarHBondContact O-CG 3.44Å; L417-E420 PolarHBondContact O-N 3.31Å; F418-E420 PolarHBondContact O-N 3.2Å; E420-L422 HydrophobicContact CB-CD2 4Å; E420-L422 WeakPolarHBondContact O-CG 3.34Å; E420-L422 PolarHBondContact O-N 3.08Å
421P94.3Very high87Confident63 Ų6354 Ų5441%0.40925%0.253SS..  trans-65.1127.6164.329.3-33.8000109.2I177 Q209 P219I177-P421 HydrophobicContact CD1-CG 3.77Å; Q209-P421 PolarHBondContact NE2-O 2.72Å; P219-P421 HydrophobicContact CB-CB 4.49Å; P219-P421 HydrophobicContact CB-CG 3.54Å; P219-P421 HydrophobicContact CG-CG 3.95Å
422L91.7Very high87.7Confident31 Ų3146.6 Ų46.616%0.16223%0.225CC..  trans-115.2132.2-176.1-51.9-175.4000110L417 E420 T426 K427L417-L422 HydrophobicContact CB-CD2 4.19Å; L417-L422 HydrophobicContact CD2-CD2 3.7Å; L417-L422 HydrophobicContact CG-CD2 4.37Å; E420-L422 HydrophobicContact CB-CD2 4Å; E420-L422 WeakPolarHBondContact O-CG 3.34Å; E420-L422 PolarHBondContact O-N 3.08Å; L422-T426 HydrophobicContact CD2-CG2 3.92Å; L422-K427 HydrophobicContact CB-CG 3.71Å; L422-K427 HydrophobicContact CD1-CG 4.41Å; L422-K427 VanDerWaalsContact O-CE 3.23Å; L422-K427 WeakPolarHBondContact O-CE 3.49Å
423N86.9Confident87.9Confident15 Ų1545.3 Ų45.38%0.0822%0.219CC..  trans-78.7171.4166.162.150.3000111.7Q209 I217 H425 T426 K427Q209-N423 PolarHBondContact OE1-ND2 2.85Å; I217-N423 HydrophobicContact CB-CB 4.21Å; I217-N423 HydrophobicContact CD1-CB 3.61Å; I217-N423 HydrophobicContact CG2-CB 3.76Å; I217-N423 WeakPolarHBondContact CG2-ND2 3.26Å; N423-H425 VanDerWaalsContact C-N 3.33Å; N423-H425 PolarHBondContact O-N 3.48Å; N423-H425 WeakPolarHBondContact OD1-CB 3.23Å; N423-H425 PolarHBondContact OD1-N 2.92Å; N423-T426 PolarHBondContact ND2-OG1 3.33Å; N423-T426 PolarHBondContact O-N 3.45Å; N423-T426 WeakPolarHBondContact OD1-CB 3.3Å; N423-T426 PolarHBondContact OD1-N 3.37Å; N423-T426 PolarHBondContact OD1-OG1 3.19Å; N423-K427 WeakPolarHBondContact O-CB 3.48Å; N423-K427 VanDerWaalsContact O-CG 3.3Å; N423-K427 WeakPolarHBondContact O-CG 3.22Å; N423-K427 PolarHBondContact O-N 2.87Å
424E85.8Confident87.9Confident126 Ų12648.1 Ų48.159%0.58924%0.235SC*.Hα-helixtrans-57.3-42.5-178.2-68.8-53.2122.500113.2T426 K427 F428E424-T426 PolarHBondContact O-N 2.82Å; E424-K427 PolarHBondContact O-N 2.72Å; E424-K427 IonicContact OE1-NZ 3.23Å; E424-K427 PolarHBondContact OE1-NZ 3.46Å; E424-F428 WeakPolarHBondContact O-CB 3.08Å; E424-F428 PolarHBondContact O-N 2.87Å
425H86Confident88Confident12 Ų1244.6 Ų44.66%0.05622%0.219CC..Hα-helixtrans-62.6-42.2177.3-62.5-81.9000112.2S215 N423 F428 L429 S513S215-H425 VanDerWaalsContact CB-CD2 3.49Å; S215-H425 WeakPolarHBondContact CB-CD2 3.39Å; N423-H425 VanDerWaalsContact C-N 3.33Å; N423-H425 PolarHBondContact O-N 3.48Å; N423-H425 WeakPolarHBondContact OD1-CB 3.23Å; N423-H425 PolarHBondContact OD1-N 2.92Å; H425-F428 PolarHBondContact O-N 3.5Å; H425-L429 WeakPolarHBondContact O-CB 3.27Å; H425-L429 PolarHBondContact O-N 3.35Å; H425-S513 WeakPolarHBondContact ND1-CB 3.32Å; H425-S513 PolarHBondContact ND1-OG 2.83Å
426T88.3Confident88.1Confident1 Ų140.9 Ų40.91%0.00621%0.207CC..Hα-helixtrans-76.4-32.4-178.6-50.20000111.5Q209 T210 L417 L422 N423 E424 R430Q209-T426 PolarHBondContact OE1-OG1 2.95Å; T210-T426 HydrophobicContact CG2-CG2 4.45Å; L417-T426 HydrophobicContact CD1-CG2 3.75Å; L417-T426 HydrophobicContact CD2-CG2 3.62Å; L417-T426 HydrophobicContact CG-CG2 4.34Å; L422-T426 HydrophobicContact CD2-CG2 3.92Å; N423-T426 PolarHBondContact ND2-OG1 3.33Å; N423-T426 PolarHBondContact O-N 3.45Å; N423-T426 WeakPolarHBondContact OD1-CB 3.3Å; N423-T426 PolarHBondContact OD1-N 3.37Å; N423-T426 PolarHBondContact OD1-OG1 3.19Å; E424-T426 PolarHBondContact O-N 2.82Å; T426-R430 VanDerWaalsContact O-CB 3.26Å; T426-R430 WeakPolarHBondContact O-CB 3.23Å; T426-R430 PolarHBondContact O-N 3.47Å
427K88.8Confident87.8Confident100 Ų10043.3 Ų43.344%0.43522%0.216SC..Hα-helixtrans-61.6-45.9169.2-73.6174.8-168168.30110.6L422 N423 E424 R430 L431L422-K427 HydrophobicContact CB-CG 3.71Å; L422-K427 HydrophobicContact CD1-CG 4.41Å; L422-K427 VanDerWaalsContact O-CE 3.23Å; L422-K427 WeakPolarHBondContact O-CE 3.49Å; N423-K427 WeakPolarHBondContact O-CB 3.48Å; N423-K427 VanDerWaalsContact O-CG 3.3Å; N423-K427 WeakPolarHBondContact O-CG 3.22Å; N423-K427 PolarHBondContact O-N 2.87Å; E424-K427 PolarHBondContact O-N 2.72Å; E424-K427 IonicContact OE1-NZ 3.23Å; E424-K427 PolarHBondContact OE1-NZ 3.46Å; K427-R430 PolarHBondContact O-N 3.19Å; K427-L431 WeakPolarHBondContact O-CB 3.31Å; K427-L431 PolarHBondContact O-N 3.25Å
428F85.7Confident87.6Confident57 Ų5751.1 Ų51.125%0.2525%0.245CC..Hα-helixtrans-62.2-47.7177-176.7-113.9000111.3E424 H425 R430 L431 L432 M514E424-F428 WeakPolarHBondContact O-CB 3.08Å; E424-F428 PolarHBondContact O-N 2.87Å; H425-F428 PolarHBondContact O-N 3.5Å; F428-R430 PolarHBondContact O-N 3.45Å; F428-L431 WeakPolarHBondContact O-CB 3.46Å; F428-L431 PolarHBondContact O-N 3.34Å; F428-L432 HydrophobicContact CD1-CD1 3.71Å; F428-L432 HydrophobicContact CD2-CD1 4.43Å; F428-L432 HydrophobicContact CE1-CD1 3.33Å; F428-L432 HydrophobicContact CE1-CG 4.36Å; F428-L432 HydrophobicContact CE2-CD1 4.1Å; F428-L432 HydrophobicContact CE2-CD2 4.47Å; F428-L432 HydrophobicContact CE2-CG 4.32Å; F428-L432 HydrophobicContact CG-CD1 4.26Å; F428-L432 HydrophobicContact CZ-CD1 3.54Å; F428-L432 HydrophobicContact CZ-CD2 4.37Å; F428-L432 HydrophobicContact CZ-CG 4.21Å; F428-L432 WeakPolarHBondContact O-CG 3.32Å; F428-L432 PolarHBondContact O-N 3.47Å; F428-M514 HydrophobicContact CE1-CB 4.25Å; F428-M514 HydrophobicContact CE2-CB 4.21Å; F428-M514 HydrophobicContact CZ-CB 3.77Å
429L85.9Confident87.5Confident28 Ų2852.2 Ų52.215%0.14725%0.253CS..Hα-helixtrans-56.3-47.9174.2179.361.3000111.8L212 H425 L431 L432 I433L212-L429 HydrophobicContact CB-CD2 3.95Å; L212-L429 HydrophobicContact CD1-CD2 4.38Å; H425-L429 WeakPolarHBondContact O-CB 3.27Å; H425-L429 PolarHBondContact O-N 3.35Å; L429-L431 VanDerWaalsContact C-N 3.34Å; L429-L431 PolarHBondContact O-N 2.97Å; L429-L432 PolarHBondContact O-N 3.38Å; L429-I433 HydrophobicContact CD1-CD1 3.76Å; L429-I433 HydrophobicContact CD1-CG1 4.11Å; L429-I433 HydrophobicContact CD2-CD1 4.43Å; L429-I433 HydrophobicContact CG-CD1 3.75Å; L429-I433 HydrophobicContact CG-CG1 4.43Å; L429-I433 WeakPolarHBondContact O-CB 3.18Å; L429-I433 VanDerWaalsContact O-CG1 3.31Å; L429-I433 WeakPolarHBondContact O-CG1 3.08Å; L429-I433 PolarHBondContact O-N 3.46Å
430R86.9Confident87.2Confident89 Ų8952 Ų5234%0.33625%0.251SS..Hα-helixtrans-60.6-42177.7178.3178.5170.4-165.8-3.7112.2L417 T426 K427 F428 L432 N434L417-R430 HydrophobicContact CD1-CB 4.03Å; T426-R430 VanDerWaalsContact O-CB 3.26Å; T426-R430 WeakPolarHBondContact O-CB 3.23Å; T426-R430 PolarHBondContact O-N 3.47Å; K427-R430 PolarHBondContact O-N 3.19Å; F428-R430 PolarHBondContact O-N 3.45Å; R430-L432 VanDerWaalsContact C-N 3.34Å; R430-N434 WeakPolarHBondContact CG-ND2 3.32Å; R430-N434 WeakPolarHBondContact O-CB 3.4Å; R430-N434 PolarHBondContact O-N 3.11Å; R430-N434 VanDerWaalsContact O-N 3.12Å; R430-N434 PolarHBondContact O-ND2 2.91Å
431L85.8Confident86.8Confident109 Ų10954 Ų5457%0.57126%0.263SS*.Hα-helixtrans-59.3-49.1176.6176.665.9000110K427 F428 L429 N434 T435K427-L431 WeakPolarHBondContact O-CB 3.31Å; K427-L431 PolarHBondContact O-N 3.25Å; F428-L431 WeakPolarHBondContact O-CB 3.46Å; F428-L431 PolarHBondContact O-N 3.34Å; L429-L431 VanDerWaalsContact C-N 3.34Å; L429-L431 PolarHBondContact O-N 2.97Å; L431-N434 PolarHBondContact O-N 3Å; L431-T435 PolarHBondContact O-N 3.16Å; L431-T435 PolarHBondContact O-OG1 3.36Å
432L83.5Confident86.6Confident14 Ų1456.1 Ų56.17%0.07327%0.269CS..Hα-helixtrans-63.3-45.6-179.6-68172.2000112F428 L429 R430 N434 T435 K440 T458 L461F428-L432 HydrophobicContact CD1-CD1 3.71Å; F428-L432 HydrophobicContact CD2-CD1 4.43Å; F428-L432 HydrophobicContact CE1-CD1 3.33Å; F428-L432 HydrophobicContact CE1-CG 4.36Å; F428-L432 HydrophobicContact CE2-CD1 4.1Å; F428-L432 HydrophobicContact CE2-CD2 4.47Å; F428-L432 HydrophobicContact CE2-CG 4.32Å; F428-L432 HydrophobicContact CG-CD1 4.26Å; F428-L432 HydrophobicContact CZ-CD1 3.54Å; F428-L432 HydrophobicContact CZ-CD2 4.37Å; F428-L432 HydrophobicContact CZ-CG 4.21Å; F428-L432 WeakPolarHBondContact O-CG 3.32Å; F428-L432 PolarHBondContact O-N 3.47Å; L429-L432 PolarHBondContact O-N 3.38Å; R430-L432 VanDerWaalsContact C-N 3.34Å; L432-N434 VanDerWaalsContact C-N 3.3Å; L432-N434 PolarHBondContact O-N 2.88Å; L432-T435 PolarHBondContact O-N 2.97Å; L432-K440 WeakPolarHBondContact O-CE 3.48Å; L432-K440 PolarHBondContact O-NZ 2.88Å; L432-T458 HydrophobicContact CD2-CG2 3.51Å; L432-L461 HydrophobicContact CB-CD1 3.87Å; L432-L461 HydrophobicContact CD1-CD1 3.62Å; L432-L461 HydrophobicContact CG-CD1 4.28Å
433I83Confident86.4Confident10 Ų1057 Ų575%0.05127%0.274CS..Hα-helixtrans-59.5-40.2178.4-74.1175.5000111.9T409 K410 V413 Q414 L429T409-I433 HydrophobicContact CG2-CD1 4.17Å; K410-I433 WeakPolarHBondContact CE-O 3.43Å; K410-I433 HydrophobicContact CG-CG2 3.98Å; K410-I433 WeakPolarHBondContact O-CG2 3.36Å; V413-I433 HydrophobicContact CB-CD1 4.03Å; V413-I433 HydrophobicContact CG1-CD1 3.8Å; Q414-I433 HydrophobicContact CB-CG2 4.33Å; L429-I433 HydrophobicContact CD1-CD1 3.76Å; L429-I433 HydrophobicContact CD1-CG1 4.11Å; L429-I433 HydrophobicContact CD2-CD1 4.43Å; L429-I433 HydrophobicContact CG-CD1 3.75Å; L429-I433 HydrophobicContact CG-CG1 4.43Å; L429-I433 WeakPolarHBondContact O-CB 3.18Å; L429-I433 VanDerWaalsContact O-CG1 3.31Å; L429-I433 WeakPolarHBondContact O-CG1 3.08Å; L429-I433 PolarHBondContact O-N 3.46Å
434N83Confident86.5Confident60 Ų6056.9 Ų56.932%0.32127%0.273SS..Hα-helixtrans-81.2-13.8-176.4-68.1-28.8000114.4Q414 R430 L431 L432Q414-N434 VanDerWaalsContact CG-OD1 3.26Å; Q414-N434 WeakPolarHBondContact CG-OD1 3.37Å; Q414-N434 PolarHBondContact NE2-OD1 3.43Å; R430-N434 WeakPolarHBondContact CG-ND2 3.32Å; R430-N434 WeakPolarHBondContact O-CB 3.4Å; R430-N434 PolarHBondContact O-N 3.11Å; R430-N434 VanDerWaalsContact O-N 3.12Å; R430-N434 PolarHBondContact O-ND2 2.91Å; L431-N434 PolarHBondContact O-N 3Å; L432-N434 VanDerWaalsContact C-N 3.3Å; L432-N434 PolarHBondContact O-N 2.88Å
435T86Confident86.7Confident13 Ų1357.7 Ų57.78%0.0827%0.274CS..SBendtrans-75.6129.7-175.4-60.20000110.3L431 L432 L439 K440 I443L431-T435 PolarHBondContact O-N 3.16Å; L431-T435 PolarHBondContact O-OG1 3.36Å; L432-T435 PolarHBondContact O-N 2.97Å; T435-L439 HydrophobicContact CG2-CB 3.85Å; T435-L439 HydrophobicContact CG2-CD2 3.85Å; T435-L439 HydrophobicContact CG2-CG 3.77Å; T435-K440 HydrophobicContact CG2-CG 3.73Å; T435-K440 VanDerWaalsContact O-CE 3.29Å; T435-K440 WeakPolarHBondContact O-CE 3.43Å; T435-I443 HydrophobicContact CG2-CD1 3.88Å
436P85.8Confident86.8Confident64 Ų6461.8 Ų61.842%0.41630%0.296SS..  trans-60.2148.5172.3-23.333.9000111.9W438 L439 K440P436-W438 PolarHBondContact O-N 2.94Å; P436-L439 WeakPolarHBondContact O-CB 2.99Å; P436-L439 PolarHBondContact O-N 3.08Å; P436-K440 PolarHBondContact O-N 2.99Å
437H84.7Confident86.8Confident65 Ų6563 Ų6330%0.30130%0.302SS..Hα-helixtrans-56.3-48.9-175.1172.571.5000115L439 K440 V441 D462 R465H437-L439 PolarHBondContact O-N 3.39Å; H437-L439 VanDerWaalsContact O-N 3.13Å; H437-K440 WeakPolarHBondContact O-CA 3.11Å; H437-K440 WeakPolarHBondContact O-CB 3.35Å; H437-K440 PolarHBondContact O-N 2.79Å; H437-V441 PolarHBondContact O-N 3Å; H437-D462 WeakPolarHBondContact CA-OD2 3.27Å; H437-D462 WeakPolarHBondContact CB-OD2 3.38Å; H437-D462 IonicContact CE1-OD2 2.67Å; H437-D462 IonicContact CG-OD2 3.68Å; H437-D462 IonicContact ND1-OD2 3.13Å; H437-D462 PolarHBondContact ND1-OD2 2.92Å; H437-R465 PolarHBondContact CD2-NH1 3.07Å; H437-R465 VanDerWaalsContact CD2-NH1 3.29Å; H437-R465 PolarHBondContact CD2-NH2 2.86Å; H437-R465 VanDerWaalsContact CD2-NH2 3.28Å; H437-R465 VanDerWaalsContact CG-CZ 3.45Å; H437-R465 PolarHBondContact ND1-NH2 3.41Å
438W87.3Confident86.6Confident164 Ų16460.7 Ų60.762%0.62130%0.297SS*.Hα-helixtrans-57-33.8-178.968-95.1000111P436 M442P436-W438 PolarHBondContact O-N 2.94Å; W438-M442 HydrophobicContact CE3-SD 3.7Å; W438-M442 HydrophobicContact CZ3-SD 3.62Å; W438-M442 WeakPolarHBondContact O-CG 3.24Å; W438-M442 PolarHBondContact O-N 2.83Å
439L87.9Confident86.6Confident62 Ų6264.7 Ų64.733%0.32532%0.32SS..Hα-helixtrans-74.8-37176.1-174.957.6000111.7T435 P436 H437 M442 I443T435-L439 HydrophobicContact CG2-CB 3.85Å; T435-L439 HydrophobicContact CG2-CD2 3.85Å; T435-L439 HydrophobicContact CG2-CG 3.77Å; P436-L439 WeakPolarHBondContact O-CB 2.99Å; P436-L439 PolarHBondContact O-N 3.08Å; H437-L439 PolarHBondContact O-N 3.39Å; H437-L439 VanDerWaalsContact O-N 3.13Å; L439-M442 PolarHBondContact O-N 3.31Å; L439-I443 HydrophobicContact CG-CD1 4.04Å; L439-I443 WeakPolarHBondContact O-CB 3.27Å; L439-I443 WeakPolarHBondContact O-CG1 3.24Å; L439-I443 PolarHBondContact O-N 3.39Å
440K88.3Confident86.6Confident1 Ų166.4 Ų66.40%0.00433%0.328CS..Hα-helixtrans-60.2-43.9170.9-71.2171.9170.7-177.10112.3L432 T435 P436 H437 M442 I443 D444 T458 L461 D462L432-K440 WeakPolarHBondContact O-CE 3.48Å; L432-K440 PolarHBondContact O-NZ 2.88Å; T435-K440 HydrophobicContact CG2-CG 3.73Å; T435-K440 VanDerWaalsContact O-CE 3.29Å; T435-K440 WeakPolarHBondContact O-CE 3.43Å; P436-K440 PolarHBondContact O-N 2.99Å; H437-K440 WeakPolarHBondContact O-CA 3.11Å; H437-K440 WeakPolarHBondContact O-CB 3.35Å; H437-K440 PolarHBondContact O-N 2.79Å; K440-M442 VanDerWaalsContact C-N 3.28Å; K440-M442 PolarHBondContact O-N 2.88Å; K440-I443 CarbonylContact O-C 3.23Å; K440-I443 WeakPolarHBondContact O-CB 3.49Å; K440-I443 PolarHBondContact O-N 3.43Å; K440-I443 VanDerWaalsContact O-N 3.14Å; K440-D444 PolarHBondContact O-N 3.37Å; K440-T458 PolarHBondContact O-OG1 2.67Å; K440-L461 PolarHBondContact NZ-O 3.36Å; K440-D462 WeakPolarHBondContact CD-OD1 3.07Å; K440-D462 WeakPolarHBondContact CD-OD2 3.41Å; K440-D462 WeakPolarHBondContact CE-OD1 3.41Å; K440-D462 IonicContact NZ-OD1 3.46Å; K440-D462 PolarHBondContact NZ-OD1 3.02Å; K440-D462 IonicContact NZ-OD2 2.87Å
441V87.4Confident86.5Confident49 Ų4964.4 Ų64.430%0.29732%0.322SS..Hα-helixtrans-60.7-39.7175.8175.20000111.2H437 K445H437-V441 PolarHBondContact O-N 3Å; V441-K445 WeakPolarHBondContact O-CG 3.41Å; V441-K445 PolarHBondContact O-N 3.11Å
442M89.7Confident86.3Confident108 Ų10859.9 Ų59.953%0.53230%0.302SS..Hα-helixtrans-67.9-41.2173.8-71.7-178.266.200112.5W438 L439 K440 D444 K445 L446W438-M442 HydrophobicContact CE3-SD 3.7Å; W438-M442 HydrophobicContact CZ3-SD 3.62Å; W438-M442 WeakPolarHBondContact O-CG 3.24Å; W438-M442 PolarHBondContact O-N 2.83Å; L439-M442 PolarHBondContact O-N 3.31Å; K440-M442 VanDerWaalsContact C-N 3.28Å; K440-M442 PolarHBondContact O-N 2.88Å; M442-D444 VanDerWaalsContact C-N 3.35Å; M442-K445 PolarHBondContact O-N 3.44Å; M442-L446 PolarHBondContact O-N 3.3Å
443I88.6Confident86.2Confident51 Ų5165.7 Ų65.726%0.26232%0.323SS..Hα-helixtrans-60.3-45.3175.4-72.8163.7000110T435 L439 K440 K445 L446 L447 T458T435-I443 HydrophobicContact CG2-CD1 3.88Å; L439-I443 HydrophobicContact CG-CD1 4.04Å; L439-I443 WeakPolarHBondContact O-CB 3.27Å; L439-I443 WeakPolarHBondContact O-CG1 3.24Å; L439-I443 PolarHBondContact O-N 3.39Å; K440-I443 CarbonylContact O-C 3.23Å; K440-I443 WeakPolarHBondContact O-CB 3.49Å; K440-I443 PolarHBondContact O-N 3.43Å; K440-I443 VanDerWaalsContact O-N 3.14Å; I443-K445 PolarHBondContact O-N 3.28Å; I443-L446 CarbonylContact O-C 3.56Å; I443-L446 WeakPolarHBondContact O-CB 3.35Å; I443-L446 PolarHBondContact O-N 3.49Å; I443-L446 VanDerWaalsContact O-N 3.12Å; I443-L447 HydrophobicContact CG2-CD1 3.56Å; I443-L447 HydrophobicContact CG2-CG 3.88Å; I443-L447 WeakPolarHBondContact O-CB 3.26Å; I443-L447 VanDerWaalsContact O-CG 3.27Å; I443-L447 WeakPolarHBondContact O-CG 3.3Å; I443-L447 PolarHBondContact O-N 2.73Å; I443-T458 HydrophobicContact CG2-CG2 4.09Å
444D88Confident86.1Confident12 Ų1265.4 Ų65.46%0.06432%0.321CS..Hα-helixtrans-60.6-43.1178.1-77.8-15.5000112.1K440 M442 L446 L447 T448 A456 V457 T458 S459K440-D444 PolarHBondContact O-N 3.37Å; M442-D444 VanDerWaalsContact C-N 3.35Å; D444-L446 VanDerWaalsContact C-N 3.33Å; D444-L446 PolarHBondContact O-N 2.87Å; D444-L447 PolarHBondContact O-N 3.46Å; D444-T448 WeakPolarHBondContact O-CB 3.29Å; D444-T448 PolarHBondContact O-N 3.02Å; D444-T448 PolarHBondContact O-OG1 3.48Å; D444-A456 HydrophobicContact CB-CB 3.96Å; D444-A456 VanDerWaalsContact CG-C 3.48Å; D444-A456 WeakPolarHBondContact O-CB 3.31Å; D444-A456 WeakPolarHBondContact OD1-CA 3.14Å; D444-V457 PolarHBondContact OD1-N 2.96Å; D444-T458 VanDerWaalsContact OD1-CB 3.26Å; D444-T458 WeakPolarHBondContact OD1-CB 3.25Å; D444-T458 WeakPolarHBondContact OD1-CG2 3.42Å; D444-T458 PolarHBondContact OD1-N 3.4Å; D444-T458 PolarHBondContact OD1-OG1 3.16Å; D444-T458 PolarHBondContact OD2-N 2.99Å; D444-T458 PolarHBondContact OD2-OG1 3.23Å; D444-S459 WeakPolarHBondContact OD2-CB 3.39Å; D444-S459 PolarHBondContact OD2-N 3.37Å; D444-S459 PolarHBondContact OD2-OG 3.23Å
445K89.2Confident85.9Confident142 Ų14262.9 Ų62.962%0.61731%0.309SS*.Hα-helixtrans-59.2-45173.3-71.1178.6-177.7-175.90111.5V441 M442 I443 I449V441-K445 WeakPolarHBondContact O-CG 3.41Å; V441-K445 PolarHBondContact O-N 3.11Å; M442-K445 PolarHBondContact O-N 3.44Å; I443-K445 PolarHBondContact O-N 3.28Å; K445-I449 WeakPolarHBondContact O-CG1 3.36Å; K445-I449 PolarHBondContact O-N 3.27Å
446L89.9Confident85.6Confident98 Ų9862.7 Ų62.751%0.51331%0.309SS..Hα-helixtrans-66.3-45.1178.7-176.465.3000112.2M442 I443 D444 T448 I449 I450M442-L446 PolarHBondContact O-N 3.3Å; I443-L446 CarbonylContact O-C 3.56Å; I443-L446 WeakPolarHBondContact O-CB 3.35Å; I443-L446 PolarHBondContact O-N 3.49Å; I443-L446 VanDerWaalsContact O-N 3.12Å; D444-L446 VanDerWaalsContact C-N 3.33Å; D444-L446 PolarHBondContact O-N 2.87Å; L446-T448 VanDerWaalsContact C-N 3.31Å; L446-T448 PolarHBondContact O-N 3.48Å; L446-I449 PolarHBondContact O-N 3.13Å; L446-I449 VanDerWaalsContact O-N 3.15Å; L446-I450 HydrophobicContact CD1-CD1 3.75Å; L446-I450 HydrophobicContact CD1-CG1 4.25Å; L446-I450 HydrophobicContact CD2-CD1 4.28Å; L446-I450 HydrophobicContact CG-CD1 3.69Å; L446-I450 HydrophobicContact CG-CG1 4.41Å; L446-I450 WeakPolarHBondContact O-CG1 3.42Å; L446-I450 PolarHBondContact O-N 2.85Å
447L87.3Confident85.4Confident26 Ų2660.3 Ų60.314%0.13629%0.293CS..Hα-helixtrans-63.7-37.6178.6-72178.5000111.5I443 D444 I449 I450 F451 G452 A455 A456 T458 M514I443-L447 HydrophobicContact CG2-CD1 3.56Å; I443-L447 HydrophobicContact CG2-CG 3.88Å; I443-L447 WeakPolarHBondContact O-CB 3.26Å; I443-L447 VanDerWaalsContact O-CG 3.27Å; I443-L447 WeakPolarHBondContact O-CG 3.3Å; I443-L447 PolarHBondContact O-N 2.73Å; D444-L447 PolarHBondContact O-N 3.46Å; L447-I449 VanDerWaalsContact C-N 3.27Å; L447-I449 PolarHBondContact O-N 2.88Å; L447-I450 PolarHBondContact O-N 2.75Å; L447-F451 HydrophobicContact CD2-CD2 3.64Å; L447-F451 HydrophobicContact CD2-CE2 3.91Å; L447-F451 WeakPolarHBondContact O-CA 3.5Å; L447-F451 PolarHBondContact O-N 2.98Å; L447-G452 PolarHBondContact O-N 3Å; L447-A455 HydrophobicContact CB-CB 4.03Å; L447-A455 WeakPolarHBondContact CD1-O 3.4Å; L447-A456 HydrophobicContact CB-CB 4.4Å; L447-T458 HydrophobicContact CD1-CG2 3.86Å; L447-M514 HydrophobicContact CD2-CE 4.22Å
448T84.9Confident85.2Confident52 Ų5257.5 Ų57.532%0.31928%0.28SS..Hα-helixtrans-57.9-42.2173.9-59.60000111.3D444 L446 G452 R453 A456D444-T448 WeakPolarHBondContact O-CB 3.29Å; D444-T448 PolarHBondContact O-N 3.02Å; D444-T448 PolarHBondContact O-OG1 3.48Å; L446-T448 VanDerWaalsContact C-N 3.31Å; L446-T448 PolarHBondContact O-N 3.48Å; T448-G452 VanDerWaalsContact O-CA 3.28Å; T448-G452 WeakPolarHBondContact O-CA 3.49Å; T448-G452 PolarHBondContact O-N 2.69Å; T448-R453 HydrophobicContact CG2-CG 3.86Å; T448-A456 WeakPolarHBondContact OG1-CB 3.33Å
449I86.2Confident85Confident142 Ų14250.9 Ų50.973%0.72826%0.259SS*.Hα-helixtrans-71.3-43.9179.3-64.7166.3000111.2K445 L446 L447K445-I449 WeakPolarHBondContact O-CG1 3.36Å; K445-I449 PolarHBondContact O-N 3.27Å; L446-I449 PolarHBondContact O-N 3.13Å; L446-I449 VanDerWaalsContact O-N 3.15Å; L447-I449 VanDerWaalsContact C-N 3.27Å; L447-I449 PolarHBondContact O-N 2.88Å
450I86.2Confident84.8Confident64 Ų6448.5 Ų48.533%0.32825%0.246SC..Hα-helixtrans-80.8-45.1-172.1-63.6175.6000112.4L446 L447 R562L446-I450 HydrophobicContact CD1-CD1 3.75Å; L446-I450 HydrophobicContact CD1-CG1 4.25Å; L446-I450 HydrophobicContact CD2-CD1 4.28Å; L446-I450 HydrophobicContact CG-CD1 3.69Å; L446-I450 HydrophobicContact CG-CG1 4.41Å; L446-I450 WeakPolarHBondContact O-CG1 3.42Å; L446-I450 PolarHBondContact O-N 2.85Å; L447-I450 PolarHBondContact O-N 2.75Å; I450-R562 WeakPolarHBondContact O-CD 3.43Å
451F84.5Confident84.5Confident47 Ų4750 Ų5021%0.20625%0.254CS..THydrogen-bonded Turntrans-112.5-25.6-170.5-66.2-74.9000113.3L447 A455 M514 F515 R562 Y563L447-F451 HydrophobicContact CD2-CD2 3.64Å; L447-F451 HydrophobicContact CD2-CE2 3.91Å; L447-F451 WeakPolarHBondContact O-CA 3.5Å; L447-F451 PolarHBondContact O-N 2.98Å; F451-A455 HydrophobicContact CB-CB 3.78Å; F451-M514 HydrophobicContact CD1-CE 4.22Å; F451-M514 HydrophobicContact CD2-CE 3.63Å; F451-M514 HydrophobicContact CE1-CE 4.26Å; F451-M514 HydrophobicContact CE2-CE 3.67Å; F451-M514 HydrophobicContact CG-CE 3.91Å; F451-M514 HydrophobicContact CZ-CE 3.99Å; F451-M514 HydrophobicContact CZ-SD 4.48Å; F451-F515 AromaticContact CD1-CE1 3.89Å; F451-F515 HydrophobicContact CD1-CE1 3.89Å; F451-F515 AromaticContact CD1-CZ 3.88Å; F451-F515 HydrophobicContact CD1-CZ 3.88Å; F451-F515 HydrophobicContact CE1-CE1 4.35Å; F451-F515 AromaticContact CE1-CZ 3.86Å; F451-F515 HydrophobicContact CE1-CZ 3.86Å; F451-R562 HydrophobicContact CD1-CB 4.13Å; F451-R562 PolarHBondContact O-N 3.22Å; F451-Y563 VanDerWaalsContact O-CB 3.23Å; F451-Y563 WeakPolarHBondContact O-CB 3.46Å; F451-Y563 PolarHBondContact O-N 3.01Å
452G80Confident84Confident14 Ų1448 Ų4814%0.14424%0.242CC..  trans107.7169.7-171.900000112.2L447 T448 A455L447-G452 PolarHBondContact O-N 3Å; T448-G452 VanDerWaalsContact O-CA 3.28Å; T448-G452 WeakPolarHBondContact O-CA 3.49Å; T448-G452 PolarHBondContact O-N 2.69Å; G452-A455 WeakPolarHBondContact O-CB 3.38Å; G452-A455 PolarHBondContact O-N 3.12Å
453R81.6Confident83.2Confident136 Ų13643.5 Ų43.551%0.51322%0.223SC..G310 helixtrans-58.2-42-169.6-76.3-177-176.1-179.22.5115.2P359 L360 T448 A455 A456P359-R453 VanDerWaalsContact O-CB 3.27Å; P359-R453 WeakPolarHBondContact O-CB 3.14Å; L360-R453 HydrophobicContact CD2-CB 3.72Å; L360-R453 HydrophobicContact CD2-CG 4.22Å; L360-R453 HydrophobicContact CG-CB 4.09Å; T448-R453 HydrophobicContact CG2-CG 3.86Å; R453-A455 PolarHBondContact O-N 2.87Å; R453-A456 WeakPolarHBondContact O-CB 3.28Å; R453-A456 PolarHBondContact O-N 3.04Å
454P81.6Confident82.7Confident3 Ų342.1 Ų42.12%0.01922%0.217CC..G310 helixtrans-63.8-16.2-178.5-24.235.1000115.1P359 L360 A456 Y563P359-P454 WeakPolarHBondContact O-CD 3.37Å; L360-P454 WeakPolarHBondContact O-CA 3.38Å; P454-A456 VanDerWaalsContact C-N 3.33Å; P454-Y563 HydrophobicContact CB-CD1 3.65Å; P454-Y563 HydrophobicContact CB-CD2 4.32Å; P454-Y563 HydrophobicContact CB-CE1 3.58Å; P454-Y563 HydrophobicContact CB-CE2 4.2Å; P454-Y563 HydrophobicContact CB-CG 4.04Å; P454-Y563 HydrophobicContact CG-CD1 4.13Å; P454-Y563 HydrophobicContact CG-CE1 4.43Å
455A77.9Confident82.2Confident7 Ų747.4 Ų47.46%0.05824%0.236CC..G310 helixtrans-73.5-25.3173.100000113.1L447 F451 G452 R453 V457 Y563L447-A455 HydrophobicContact CB-CB 4.03Å; L447-A455 WeakPolarHBondContact CD1-O 3.4Å; F451-A455 HydrophobicContact CB-CB 3.78Å; G452-A455 WeakPolarHBondContact O-CB 3.38Å; G452-A455 PolarHBondContact O-N 3.12Å; R453-A455 PolarHBondContact O-N 2.87Å; A455-V457 VanDerWaalsContact C-N 3.33Å; A455-V457 PolarHBondContact O-N 2.93Å; A455-V457 VanDerWaalsContact O-N 3.14Å; A455-Y563 HydrophobicContact CB-CD2 3.68Å; A455-Y563 HydrophobicContact CB-CE2 4.18Å
456A80.3Confident81.9Confident9 Ų943 Ų437%0.07423%0.231CC..  trans-93.655.8-163.900000112.6D444 L447 T448 R453 P454D444-A456 HydrophobicContact CB-CB 3.96Å; D444-A456 VanDerWaalsContact CG-C 3.48Å; D444-A456 WeakPolarHBondContact O-CB 3.31Å; D444-A456 WeakPolarHBondContact OD1-CA 3.14Å; L447-A456 HydrophobicContact CB-CB 4.4Å; T448-A456 WeakPolarHBondContact OG1-CB 3.33Å; R453-A456 WeakPolarHBondContact O-CB 3.28Å; R453-A456 PolarHBondContact O-N 3.04Å; P454-A456 VanDerWaalsContact C-N 3.33Å
457V81.6Confident81.7Confident14 Ų1446.3 Ų46.39%0.08524%0.244CC..  trans-119.215.1-175.7-58.60000111.8Y398 D444 A455 S459 F460 P518Y398-V457 HydrophobicContact CE1-CB 4.08Å; Y398-V457 HydrophobicContact CE1-CG1 3.82Å; Y398-V457 HydrophobicContact CE1-CG2 4.46Å; D444-V457 PolarHBondContact OD1-N 2.96Å; A455-V457 VanDerWaalsContact C-N 3.33Å; A455-V457 PolarHBondContact O-N 2.93Å; A455-V457 VanDerWaalsContact O-N 3.14Å; V457-S459 VanDerWaalsContact C-N 3.34Å; V457-S459 PolarHBondContact O-N 3.34Å; V457-F460 HydrophobicContact CB-CD2 4.07Å; V457-F460 HydrophobicContact CB-CE2 4.44Å; V457-F460 HydrophobicContact CB-CG 4.48Å; V457-F460 HydrophobicContact CG1-CD2 4.34Å; V457-F460 HydrophobicContact CG1-CE2 4.23Å; V457-F460 WeakPolarHBondContact O-CB 3.41Å; V457-F460 PolarHBondContact O-N 3.47Å; V457-P518 HydrophobicContact CG2-CB 4.07Å; V457-P518 HydrophobicContact CG2-CG 3.87Å
458T81.9Confident81.8Confident6 Ų648.3 Ų48.34%0.03726%0.264CS..G310 helixtrans-69.3-33.9-174.769.20000112.1L432 K440 I443 D444 L447 F460 L461L432-T458 HydrophobicContact CD2-CG2 3.51Å; K440-T458 PolarHBondContact O-OG1 2.67Å; I443-T458 HydrophobicContact CG2-CG2 4.09Å; D444-T458 VanDerWaalsContact OD1-CB 3.26Å; D444-T458 WeakPolarHBondContact OD1-CB 3.25Å; D444-T458 WeakPolarHBondContact OD1-CG2 3.42Å; D444-T458 PolarHBondContact OD1-N 3.4Å; D444-T458 PolarHBondContact OD1-OG1 3.16Å; D444-T458 PolarHBondContact OD2-N 2.99Å; D444-T458 PolarHBondContact OD2-OG1 3.23Å; L447-T458 HydrophobicContact CD1-CG2 3.86Å; T458-F460 PolarHBondContact O-N 3.02Å; T458-L461 WeakPolarHBondContact O-CB 3.16Å; T458-L461 PolarHBondContact O-N 3.12Å
459S81.5Confident82Confident26 Ų2650.3 Ų50.318%0.18227%0.27CS..G310 helixtrans-65.7-23.7174.956.40000113.3D444 V457 L461 D462D444-S459 WeakPolarHBondContact OD2-CB 3.39Å; D444-S459 PolarHBondContact OD2-N 3.37Å; D444-S459 PolarHBondContact OD2-OG 3.23Å; V457-S459 VanDerWaalsContact C-N 3.34Å; V457-S459 PolarHBondContact O-N 3.34Å; S459-L461 PolarHBondContact O-N 3.18Å; S459-L461 VanDerWaalsContact O-N 3.16Å; S459-D462 WeakPolarHBondContact O-CB 3.38Å; S459-D462 PolarHBondContact O-N 2.95Å
460F83.9Confident82.1Confident12 Ų1245.3 Ų45.35%0.05325%0.246CC..G310 helixtrans-67.9-15.4177.2-63.2-0.1000112.2K395 Y398 E399 M402 K403 V457 T458 D462K395-F460 HydrophobicContact CG-CZ 4.42Å; Y398-F460 AromaticContact CD1-CD2 3.82Å; Y398-F460 HydrophobicContact CD1-CD2 3.82Å; Y398-F460 AromaticContact CD1-CE2 3.7Å; Y398-F460 HydrophobicContact CD1-CE2 3.7Å; Y398-F460 AromaticContact CE1-CD2 3.93Å; Y398-F460 HydrophobicContact CE1-CD2 3.93Å; Y398-F460 HydrophobicContact CE1-CE2 4.12Å; Y398-F460 HydrophobicContact CG-CD2 4.44Å; Y398-F460 HydrophobicContact CG-CE2 4.45Å; E399-F460 HydrophobicContact CB-CD1 4.1Å; E399-F460 HydrophobicContact CB-CD2 4.04Å; E399-F460 HydrophobicContact CB-CE1 3.94Å; E399-F460 HydrophobicContact CB-CE2 3.86Å; E399-F460 HydrophobicContact CB-CG 4.16Å; E399-F460 HydrophobicContact CB-CZ 3.82Å; E399-F460 HydrophobicContact CG-CD1 3.67Å; E399-F460 HydrophobicContact CG-CD2 4.46Å; E399-F460 HydrophobicContact CG-CE1 3.72Å; E399-F460 HydrophobicContact CG-CE2 4.49Å; E399-F460 HydrophobicContact CG-CG 4.08Å; E399-F460 HydrophobicContact CG-CZ 4.14Å; M402-F460 CarbonylContact C-O 3.59Å; M402-F460 HydrophobicContact CB-CB 3.83Å; M402-F460 HydrophobicContact CG-CB 4.44Å; K403-F460 PolarHBondContact N-O 2.79Å; V457-F460 HydrophobicContact CB-CD2 4.07Å; V457-F460 HydrophobicContact CB-CE2 4.44Å; V457-F460 HydrophobicContact CB-CG 4.48Å; V457-F460 HydrophobicContact CG1-CD2 4.34Å; V457-F460 HydrophobicContact CG1-CE2 4.23Å; V457-F460 WeakPolarHBondContact O-CB 3.41Å; V457-F460 PolarHBondContact O-N 3.47Å; T458-F460 PolarHBondContact O-N 3.02Å; F460-D462 VanDerWaalsContact C-N 3.32Å
461L81.5Confident82.3Confident31 Ų3147.4 Ų47.416%0.16226%0.257CS..G310 helixtrans-86.91.1174.4-60.2174.1000113.6M402 S406 L432 K440 T458 S459 G463M402-L461 HydrophobicContact CE-CD2 3.43Å; M402-L461 VanDerWaalsContact CE-CD2 3.43Å; S406-L461 WeakPolarHBondContact CB-O 3.38Å; S406-L461 WeakPolarHBondContact OG-CA 3.39Å; S406-L461 PolarHBondContact OG-O 3.48Å; L432-L461 HydrophobicContact CB-CD1 3.87Å; L432-L461 HydrophobicContact CD1-CD1 3.62Å; L432-L461 HydrophobicContact CG-CD1 4.28Å; K440-L461 PolarHBondContact NZ-O 3.36Å; T458-L461 WeakPolarHBondContact O-CB 3.16Å; T458-L461 PolarHBondContact O-N 3.12Å; S459-L461 PolarHBondContact O-N 3.18Å; S459-L461 VanDerWaalsContact O-N 3.16Å; L461-G463 PolarHBondContact O-N 3.13Å
462D78.5Confident82.8Confident8 Ų849.8 Ų49.84%0.04327%0.272CS..  trans-81.199.1163.5-72.3-42.5000108H437 K440 S459 F460 R465H437-D462 WeakPolarHBondContact CA-OD2 3.27Å; H437-D462 WeakPolarHBondContact CB-OD2 3.38Å; H437-D462 IonicContact CE1-OD2 2.67Å; H437-D462 IonicContact CG-OD2 3.68Å; H437-D462 IonicContact ND1-OD2 3.13Å; H437-D462 PolarHBondContact ND1-OD2 2.92Å; K440-D462 WeakPolarHBondContact CD-OD1 3.07Å; K440-D462 WeakPolarHBondContact CD-OD2 3.41Å; K440-D462 WeakPolarHBondContact CE-OD1 3.41Å; K440-D462 IonicContact NZ-OD1 3.46Å; K440-D462 PolarHBondContact NZ-OD1 3.02Å; K440-D462 IonicContact NZ-OD2 2.87Å; S459-D462 WeakPolarHBondContact O-CB 3.38Å; S459-D462 PolarHBondContact O-N 2.95Å; F460-D462 VanDerWaalsContact C-N 3.32Å; D462-R465 IonicContact OD2-NH2 3.56Å
463G73.3Confident83.4Confident13 Ų1349.4 Ų49.413%0.13427%0.267CS..  trans-53.2164.6164.700000111.5L461L461-G463 PolarHBondContact O-N 3.13Å
464P76.2Confident83.9Confident22 Ų2245 Ų4514%0.14325%0.253CS..  trans-59.2142.5-177.326.9-34000111.6V407 E469 T470 L473V407-P464 VanDerWaalsContact CG2-CD 3.4Å; V407-P464 HydrophobicContact CG2-CG 3.77Å; P464-E469 VanDerWaalsContact CB-C 3.49Å; P464-E469 HydrophobicContact CB-CB 3.66Å; P464-T470 HydrophobicContact CG-CG2 4.32Å; P464-T470 WeakPolarHBondContact CG-OG1 3.41Å; P464-L473 HydrophobicContact CG-CD2 3.92Å
465R78.6Confident84.6Confident124 Ų12447.8 Ų47.847%0.46827%0.273SS..  trans-97.499.7177.3-62-169-169.8117.750.3111H437 D462 E469H437-R465 PolarHBondContact CD2-NH1 3.07Å; H437-R465 VanDerWaalsContact CD2-NH1 3.29Å; H437-R465 PolarHBondContact CD2-NH2 2.86Å; H437-R465 VanDerWaalsContact CD2-NH2 3.28Å; H437-R465 VanDerWaalsContact CG-CZ 3.45Å; H437-R465 PolarHBondContact ND1-NH2 3.41Å; D462-R465 IonicContact OD2-NH2 3.56Å; R465-E469 PolarHBondContact N-OE2 3.04Å
466G83.3Confident85.5Confident49 Ų4950.4 Ų50.451%0.50529%0.286SS..Hα-helixtrans83.6-17717700000113.1T470G466-T470 WeakPolarHBondContact O-CB 3.19Å; G466-T470 PolarHBondContact O-N 2.57Å; G466-T470 PolarHBondContact O-OG1 3.27Å
467E85.8Confident86.2Confident168 Ų16850.2 Ų50.279%0.78528%0.283SS*.Hα-helixtrans-66.5-46.7-167.8-64.9170.6-178.200112.1E469 T470 L471E467-E469 PolarHBondContact O-N 2.78Å; E467-T470 WeakPolarHBondContact O-CB 3.38Å; E467-T470 PolarHBondContact O-N 2.99Å; E467-T470 VanDerWaalsContact O-N 3.11Å; E467-L471 WeakPolarHBondContact O-CG 3.43Å; E467-L471 PolarHBondContact O-N 2.8Å
468A89.4Confident86.9Confident68 Ų6854.3 Ų54.356%0.56230%0.302SS*.Hα-helixtrans-61-48.3-177.700000113T470 L471 N472A468-T470 PolarHBondContact O-N 2.85Å; A468-L471 PolarHBondContact O-N 3.36Å; A468-N472 WeakPolarHBondContact O-CB 3.26Å; A468-N472 VanDerWaalsContact O-CG 3.24Å; A468-N472 PolarHBondContact O-N 2.87Å; A468-N472 PolarHBondContact O-ND2 3.23Å
469E88.6Confident87.7Confident93 Ų9359.1 Ų59.144%0.43532%0.322SS..Hα-helixtrans-64.4-31.6176.2-70.5-173.7-160.600111.9P464 R465 E467 L473P464-E469 VanDerWaalsContact CB-C 3.49Å; P464-E469 HydrophobicContact CB-CB 3.66Å; R465-E469 PolarHBondContact N-OE2 3.04Å; E467-E469 PolarHBondContact O-N 2.78Å; E469-L473 WeakPolarHBondContact O-CB 3.45Å; E469-L473 PolarHBondContact O-N 3.21Å
470T88.7Confident88.5Confident38 Ų3858 Ų5823%0.23331%0.314CS..Hα-helixtrans-69.7-43.5177-55.60000111L296 P464 G466 E467 A468 L473 I474L296-T470 HydrophobicContact CD1-CG2 4.46Å; P464-T470 HydrophobicContact CG-CG2 4.32Å; P464-T470 WeakPolarHBondContact CG-OG1 3.41Å; G466-T470 WeakPolarHBondContact O-CB 3.19Å; G466-T470 PolarHBondContact O-N 2.57Å; G466-T470 PolarHBondContact O-OG1 3.27Å; E467-T470 WeakPolarHBondContact O-CB 3.38Å; E467-T470 PolarHBondContact O-N 2.99Å; E467-T470 VanDerWaalsContact O-N 3.11Å; A468-T470 PolarHBondContact O-N 2.85Å; T470-L473 PolarHBondContact O-N 3.46Å; T470-I474 WeakPolarHBondContact O-CG1 3.36Å; T470-I474 PolarHBondContact O-N 2.83Å; T470-I474 VanDerWaalsContact O-N 3.08Å
471L90.8Very high89.2Confident107 Ų10761.1 Ų61.156%0.5633%0.326SS*.Hα-helixtrans-66-39.6176.3-69.2174.7000112.2E467 A468 L473 I474 S475E467-L471 WeakPolarHBondContact O-CG 3.43Å; E467-L471 PolarHBondContact O-N 2.8Å; A468-L471 PolarHBondContact O-N 3.36Å; L471-L473 VanDerWaalsContact C-N 3.34Å; L471-I474 HydrophobicContact CD2-CD1 4.36Å; L471-I474 PolarHBondContact O-N 2.99Å; L471-S475 PolarHBondContact O-N 3.17Å; L471-S475 PolarHBondContact O-OG 3.46Å
472N93.4Very high89.9Confident97 Ų9765.6 Ų65.652%0.51935%0.345SS..Hα-helixtrans-61.7-43.5173.1-70.2-13.4000110.8A468 I474 S475 D476A468-N472 WeakPolarHBondContact O-CB 3.26Å; A468-N472 VanDerWaalsContact O-CG 3.24Å; A468-N472 PolarHBondContact O-N 2.87Å; A468-N472 PolarHBondContact O-ND2 3.23Å; N472-I474 VanDerWaalsContact C-N 3.33Å; N472-I474 PolarHBondContact O-N 3.04Å; N472-S475 PolarHBondContact O-N 2.89Å; N472-S475 VanDerWaalsContact O-N 3.17Å; N472-D476 WeakPolarHBondContact O-CB 3.28Å; N472-D476 VanDerWaalsContact O-CG 3.22Å; N472-D476 PolarHBondContact O-N 2.85Å
473L92.7Very high90.9Very high7 Ų767.2 Ų67.24%0.03735%0.352CS..Hα-helixtrans-61.5-38.6177-179.961.3000112.8L296 L400 K403 A404 V407 P464 E469 T470 L471 I477L296-L473 HydrophobicContact CD1-CD2 3.77Å; L296-L473 HydrophobicContact CD1-CG 4.36Å; L296-L473 HydrophobicContact CD2-CD2 4.37Å; L296-L473 HydrophobicContact CD2-CG 4.08Å; L400-L473 HydrophobicContact CB-CD1 4.37Å; L400-L473 HydrophobicContact CD2-CD1 3.6Å; K403-L473 HydrophobicContact CB-CD1 4.04Å; K403-L473 HydrophobicContact CB-CD2 3.86Å; A404-L473 HydrophobicContact CB-CD2 4.45Å; V407-L473 HydrophobicContact CG2-CD2 4.21Å; P464-L473 HydrophobicContact CG-CD2 3.92Å; E469-L473 WeakPolarHBondContact O-CB 3.45Å; E469-L473 PolarHBondContact O-N 3.21Å; T470-L473 PolarHBondContact O-N 3.46Å; L471-L473 VanDerWaalsContact C-N 3.34Å; L473-I477 HydrophobicContact CD1-CD1 4.12Å; L473-I477 HydrophobicContact CD1-CG1 4.37Å; L473-I477 HydrophobicContact CG-CD1 4.17Å; L473-I477 VanDerWaalsContact O-CG1 3.26Å; L473-I477 WeakPolarHBondContact O-CG1 3.37Å; L473-I477 PolarHBondContact O-N 3.16Å; L473-I477 VanDerWaalsContact O-N 3.11Å
474I92.9Very high92.1Very high42 Ų4266.6 Ų66.622%0.21535%0.346CS..Hα-helixtrans-60.3-51.9173-64.3169.2000109.7I295 L296 T470 L471 N472 D476 I477 E478I295-I474 HydrophobicContact CD1-CD1 4.13Å; L296-I474 HydrophobicContact CD2-CB 4.17Å; L296-I474 HydrophobicContact CD2-CG1 3.35Å; L296-I474 HydrophobicContact CG-CG1 4.2Å; T470-I474 WeakPolarHBondContact O-CG1 3.36Å; T470-I474 PolarHBondContact O-N 2.83Å; T470-I474 VanDerWaalsContact O-N 3.08Å; L471-I474 HydrophobicContact CD2-CD1 4.36Å; L471-I474 PolarHBondContact O-N 2.99Å; N472-I474 VanDerWaalsContact C-N 3.33Å; N472-I474 PolarHBondContact O-N 3.04Å; I474-D476 VanDerWaalsContact C-N 3.34Å; I474-D476 PolarHBondContact O-N 2.83Å; I474-I477 PolarHBondContact O-N 2.78Å; I474-E478 WeakPolarHBondContact O-CG 3.16Å; I474-E478 PolarHBondContact O-N 3.34Å
475S95.5Very high93.1Very high63 Ų6369.4 Ų69.444%0.44136%0.358SS..Hα-helixtrans-61.7-41.1-177.1-52.90000112L471 N472 E478 F479L471-S475 PolarHBondContact O-N 3.17Å; L471-S475 PolarHBondContact O-OG 3.46Å; N472-S475 PolarHBondContact O-N 2.89Å; N472-S475 VanDerWaalsContact O-N 3.17Å; S475-E478 PolarHBondContact O-N 2.68Å; S475-F479 WeakPolarHBondContact O-CB 3.32Å; S475-F479 PolarHBondContact O-N 2.88Å
476D96.8Very high94.1Very high61 Ų6168.6 Ų68.633%0.32635%0.354SS..Hα-helixtrans-66.7-38.1178.3-72.9-17.4000112.1W396 L400 N472 I474 F479 Y480W396-D476 HydrophobicContact CZ2-CB 3.8Å; L400-D476 HydrophobicContact CD1-CB 4.2Å; L400-D476 HydrophobicContact CD2-CB 3.52Å; N472-D476 WeakPolarHBondContact O-CB 3.28Å; N472-D476 VanDerWaalsContact O-CG 3.22Å; N472-D476 PolarHBondContact O-N 2.85Å; I474-D476 VanDerWaalsContact C-N 3.34Å; I474-D476 PolarHBondContact O-N 2.83Å; D476-F479 PolarHBondContact O-N 3.37Å; D476-Y480 WeakPolarHBondContact O-CB 3.4Å; D476-Y480 PolarHBondContact O-N 3.07Å
477I96Very high94.8Very high5 Ų567 Ų673%0.02634%0.336CS..Hα-helixtrans-65.5-43.9174.5-73169.3000110.6L296 L400 A404 L473 I474 Y480 R481 M528L296-I477 HydrophobicContact CD2-CD1 3.88Å; L400-I477 HydrophobicContact CB-CG1 4.1Å; L400-I477 HydrophobicContact CD1-CG1 4.45Å; A404-I477 HydrophobicContact CB-CD1 3.93Å; L473-I477 HydrophobicContact CD1-CD1 4.12Å; L473-I477 HydrophobicContact CD1-CG1 4.37Å; L473-I477 HydrophobicContact CG-CD1 4.17Å; L473-I477 VanDerWaalsContact O-CG1 3.26Å; L473-I477 WeakPolarHBondContact O-CG1 3.37Å; L473-I477 PolarHBondContact O-N 3.16Å; L473-I477 VanDerWaalsContact O-N 3.11Å; I474-I477 PolarHBondContact O-N 2.78Å; I477-Y480 PolarHBondContact O-N 3.39Å; I477-R481 WeakPolarHBondContact O-CG 3.41Å; I477-R481 PolarHBondContact O-N 3.45Å; I477-M528 HydrophobicContact CD1-CG 4.39Å; I477-M528 HydrophobicContact CG1-CG 4.03Å; I477-M528 HydrophobicContact CG1-SD 4.08Å; I477-M528 HydrophobicContact CG2-CG 3.85Å
478E96.2Very high95.4Very high101 Ų10159 Ų5947%0.47230%0.299SS..Hα-helixtrans-61.8-45.7176-71.8177.9174.500111.4I474 S475 Y480 R481 H482I474-E478 WeakPolarHBondContact O-CG 3.16Å; I474-E478 PolarHBondContact O-N 3.34Å; S475-E478 PolarHBondContact O-N 2.68Å; E478-Y480 PolarHBondContact O-N 3.01Å; E478-R481 WeakPolarHBondContact O-CB 3.4Å; E478-R481 PolarHBondContact O-N 2.77Å; E478-H482 PolarHBondContact O-CD2 3.35Å; E478-H482 PolarHBondContact O-N 3.31Å
479F98.1Very high95.8Very high107 Ų10759.5 Ų59.547%0.46929%0.29SS..Hα-helixtrans-59.1-47.7174.8-178.8-88.6000111.7W396 S475 D476 R481 H482 E483W396-F479 AromaticContact CH2-CD1 3.43Å; W396-F479 HydrophobicContact CH2-CD1 3.43Å; W396-F479 VanDerWaalsContact CH2-CD1 3.43Å; W396-F479 AromaticContact CH2-CE1 3.94Å; W396-F479 HydrophobicContact CH2-CE1 3.94Å; W396-F479 HydrophobicContact CH2-CG 4.39Å; W396-F479 AromaticContact CZ3-CD1 3.68Å; W396-F479 HydrophobicContact CZ3-CD1 3.68Å; W396-F479 AromaticContact CZ3-CE1 3.92Å; W396-F479 HydrophobicContact CZ3-CE1 3.92Å; S475-F479 WeakPolarHBondContact O-CB 3.32Å; S475-F479 PolarHBondContact O-N 2.88Å; D476-F479 PolarHBondContact O-N 3.37Å; F479-R481 VanDerWaalsContact C-N 3.29Å; F479-R481 PolarHBondContact O-N 3.02Å; F479-H482 WeakPolarHBondContact O-CB 3.21Å; F479-H482 PolarHBondContact O-N 2.86Å; F479-H482 VanDerWaalsContact O-N 3.11Å; F479-E483 HydrophobicContact CD1-CG 3.82Å; F479-E483 HydrophobicContact CE1-CG 3.39Å; F479-E483 HydrophobicContact CZ-CG 3.88Å; F479-E483 PolarHBondContact O-N 2.89Å
480Y98.4Very high96.3Very high1 Ų161.7 Ų61.70%0.00430%0.3CS..Hα-helixtrans-62.2-36.2178.9-174.6-86.9000112.3P392 N393 W396 A397 L400 D476 I477 E478 H482 E483 F484 L525 M528 L529P392-Y480 WeakPolarHBondContact O-CE2 3.31Å; P392-Y480 VanDerWaalsContact O-CZ 3.27Å; P392-Y480 PolarHBondContact O-OH 3.2Å; N393-Y480 HydrophobicContact CB-CE2 4.45Å; W396-Y480 AromaticContact CE3-CD2 3.73Å; W396-Y480 HydrophobicContact CE3-CD2 3.73Å; W396-Y480 HydrophobicContact CZ3-CD2 4.06Å; A397-Y480 HydrophobicContact CB-CD1 4.36Å; A397-Y480 HydrophobicContact CB-CD2 4.26Å; A397-Y480 HydrophobicContact CB-CE1 3.67Å; A397-Y480 HydrophobicContact CB-CE2 3.56Å; A397-Y480 VanDerWaalsContact CB-OH 3.31Å; A397-Y480 WeakPolarHBondContact CB-OH 3.42Å; L400-Y480 HydrophobicContact CD1-CG 4.42Å; D476-Y480 WeakPolarHBondContact O-CB 3.4Å; D476-Y480 PolarHBondContact O-N 3.07Å; I477-Y480 PolarHBondContact O-N 3.39Å; E478-Y480 PolarHBondContact O-N 3.01Å; Y480-H482 VanDerWaalsContact C-N 3.31Å; Y480-H482 PolarHBondContact O-N 2.93Å; Y480-E483 PolarHBondContact O-N 2.77Å; Y480-F484 HydrophobicContact CE1-CB 4.18Å; Y480-F484 HydrophobicContact CE1-CD2 4.06Å; Y480-F484 WeakPolarHBondContact O-CB 3.44Å; Y480-F484 PolarHBondContact O-N 2.86Å; Y480-L525 HydrophobicContact CE1-CD1 3.78Å; Y480-M528 HydrophobicContact CD1-CE 3.25Å; Y480-M528 HydrophobicContact CE1-CE 3.52Å; Y480-M528 HydrophobicContact CG-CE 3.99Å; Y480-L529 HydrophobicContact CD1-CD2 3.85Å; Y480-L529 HydrophobicContact CE1-CD2 3.89Å; Y480-L529 HydrophobicContact CE1-CG 4.5Å
481R97.8Very high96.7Very high79 Ų7961.1 Ų61.130%0.29830%0.299SS..Hα-helixtrans-59-43173.7-76.2168.9175.7173.4-2.4111.6I477 E478 F479 F484 Q485 M528 L529I477-R481 WeakPolarHBondContact O-CG 3.41Å; I477-R481 PolarHBondContact O-N 3.45Å; E478-R481 WeakPolarHBondContact O-CB 3.4Å; E478-R481 PolarHBondContact O-N 2.77Å; F479-R481 VanDerWaalsContact C-N 3.29Å; F479-R481 PolarHBondContact O-N 3.02Å; R481-F484 PolarHBondContact O-N 2.85Å; R481-Q485 WeakPolarHBondContact O-CB 3.41Å; R481-Q485 PolarHBondContact O-N 3.39Å; R481-M528 VanDerWaalsContact CZ-O 3.24Å; R481-M528 PolarHBondContact NE-O 3.03Å; R481-M528 PolarHBondContact NH2-O 3.37Å; R481-L529 HydrophobicContact CB-CD2 4.48Å; R481-L529 HydrophobicContact CG-CD2 3.98Å
482H97.9Very high97Very high124 Ų12457.6 Ų57.657%0.57429%0.288SS*.Hα-helixtrans-65.2-43.1175.3-69-54.5000112.3E478 F479 Y480 F484 Q485 R486E478-H482 PolarHBondContact O-CD2 3.35Å; E478-H482 PolarHBondContact O-N 3.31Å; F479-H482 WeakPolarHBondContact O-CB 3.21Å; F479-H482 PolarHBondContact O-N 2.86Å; F479-H482 VanDerWaalsContact O-N 3.11Å; Y480-H482 VanDerWaalsContact C-N 3.31Å; Y480-H482 PolarHBondContact O-N 2.93Å; H482-F484 VanDerWaalsContact C-N 3.34Å; H482-F484 PolarHBondContact O-N 3.28Å; H482-Q485 PolarHBondContact O-N 2.99Å; H482-R486 WeakPolarHBondContact O-CB 3.48Å; H482-R486 PolarHBondContact O-N 3.07Å
483E98.3Very high97.2Very high42 Ų4258 Ų5820%0.19629%0.291CS..Hα-helixtrans-61.5-42.4175.9-69.6-67.4112.300112.1F479 Y480 R486 A487F479-E483 HydrophobicContact CD1-CG 3.82Å; F479-E483 HydrophobicContact CE1-CG 3.39Å; F479-E483 HydrophobicContact CZ-CG 3.88Å; F479-E483 PolarHBondContact O-N 2.89Å; Y480-E483 PolarHBondContact O-N 2.77Å; E483-R486 VanDerWaalsContact CD-NH2 3.31Å; E483-R486 PolarHBondContact O-N 3.31Å; E483-R486 IonicContact OE1-CZ 3.29Å; E483-R486 VanDerWaalsContact OE1-CZ 3.27Å; E483-R486 IonicContact OE1-NH1 3.83Å; E483-R486 PolarHBondContact OE1-NH1 3.27Å; E483-R486 IonicContact OE1-NH2 3.43Å; E483-R486 PolarHBondContact OE1-NH2 2.73Å; E483-R486 IonicContact OE2-CZ 3.75Å; E483-R486 IonicContact OE2-NH1 2.63Å; E483-R486 IonicContact OE2-NH2 2.7Å; E483-R486 PolarHBondContact OE2-NH2 3.08Å; E483-A487 WeakPolarHBondContact O-CB 3.46Å; E483-A487 PolarHBondContact O-N 3.25Å
484F98.6Very high97.5Very high0 Ų057.7 Ų57.70%029%0.289CS..Hα-helixtrans-65.2-43.5177.6-167.6-84.3000111.6F389 P391 P392 Y480 R481 H482 A487 M488 I497 L525 F526 L529 Y531F389-F484 HydrophobicContact CE1-CE1 4.36Å; F389-F484 AromaticContact CE1-CE2 4Å; F389-F484 HydrophobicContact CE1-CE2 4Å; F389-F484 AromaticContact CE1-CZ 3.67Å; F389-F484 HydrophobicContact CE1-CZ 3.67Å; F389-F484 HydrophobicContact CZ-CE1 4.28Å; F389-F484 HydrophobicContact CZ-CE2 4.11Å; F389-F484 AromaticContact CZ-CZ 3.91Å; F389-F484 HydrophobicContact CZ-CZ 3.91Å; P391-F484 HydrophobicContact CB-CE2 4.07Å; P392-F484 HydrophobicContact CG-CB 4.49Å; P392-F484 HydrophobicContact CG-CD2 4.34Å; Y480-F484 HydrophobicContact CE1-CB 4.18Å; Y480-F484 HydrophobicContact CE1-CD2 4.06Å; Y480-F484 WeakPolarHBondContact O-CB 3.44Å; Y480-F484 PolarHBondContact O-N 2.86Å; R481-F484 PolarHBondContact O-N 2.85Å; H482-F484 VanDerWaalsContact C-N 3.34Å; H482-F484 PolarHBondContact O-N 3.28Å; F484-A487 PolarHBondContact O-N 2.61Å; F484-M488 HydrophobicContact CD1-CG 4.2Å; F484-M488 HydrophobicContact CD1-SD 3.95Å; F484-M488 HydrophobicContact CE1-CG 3.97Å; F484-M488 HydrophobicContact CE1-SD 3.59Å; F484-M488 VanDerWaalsContact CE1-SD 3.59Å; F484-M488 WeakPolarHBondContact O-CG 3.48Å; F484-M488 PolarHBondContact O-N 2.83Å; F484-M488 VanDerWaalsContact O-N 3.07Å; F484-I497 HydrophobicContact CE1-CD1 3.86Å; F484-I497 HydrophobicContact CZ-CD1 3.73Å; F484-L525 HydrophobicContact CE2-CD1 4.48Å; F484-L525 HydrophobicContact CE2-CD2 4.28Å; F484-F526 HydrophobicContact CZ-CE1 4.04Å; F484-L529 HydrophobicContact CB-CD1 4.45Å; F484-L529 HydrophobicContact CB-CD2 3.64Å; F484-L529 HydrophobicContact CD1-CD1 3.65Å; F484-L529 HydrophobicContact CD1-CD2 4.16Å; F484-L529 HydrophobicContact CD2-CD1 3.62Å; F484-L529 HydrophobicContact CD2-CD2 4.25Å; F484-L529 HydrophobicContact CE1-CD1 3.67Å; F484-L529 HydrophobicContact CE2-CD1 3.64Å; F484-L529 HydrophobicContact CG-CD1 3.63Å; F484-L529 HydrophobicContact CG-CD2 3.76Å; F484-L529 HydrophobicContact CG-CG 4.35Å; F484-L529 HydrophobicContact CZ-CD1 3.67Å; F484-Y531 HydrophobicContact CD1-CE1 4.31Å; F484-Y531 HydrophobicContact CE1-CD1 4.49Å; F484-Y531 HydrophobicContact CE1-CE1 4.1Å
485Q98Very high97.7Very high82 Ų8256.9 Ų56.938%0.38329%0.285SS..Hα-helixtrans-59.5-48174-179.2-175-21.800111R481 H482 A487 M488 E489R481-Q485 WeakPolarHBondContact O-CB 3.41Å; R481-Q485 PolarHBondContact O-N 3.39Å; H482-Q485 PolarHBondContact O-N 2.99Å; Q485-A487 VanDerWaalsContact C-N 3.31Å; Q485-A487 PolarHBondContact O-N 2.67Å; Q485-M488 WeakPolarHBondContact O-CB 3.45Å; Q485-M488 PolarHBondContact O-N 3.27Å; Q485-M488 VanDerWaalsContact O-N 3.07Å; Q485-E489 WeakPolarHBondContact CG-OE1 3.36Å; Q485-E489 PolarHBondContact NE2-OE1 3.15Å; Q485-E489 WeakPolarHBondContact O-CG 3.48Å; Q485-E489 PolarHBondContact O-N 3.15Å
486R98.3Very high97.9Very high106 Ų10653.9 Ų53.940%0.426%0.264SS..Hα-helixtrans-58.4-44177.9-169.1-17874-134.2-12.2111.3H482 E483 M488 E489 E490H482-R486 WeakPolarHBondContact O-CB 3.48Å; H482-R486 PolarHBondContact O-N 3.07Å; E483-R486 VanDerWaalsContact CD-NH2 3.31Å; E483-R486 PolarHBondContact O-N 3.31Å; E483-R486 IonicContact OE1-CZ 3.29Å; E483-R486 VanDerWaalsContact OE1-CZ 3.27Å; E483-R486 IonicContact OE1-NH1 3.83Å; E483-R486 PolarHBondContact OE1-NH1 3.27Å; E483-R486 IonicContact OE1-NH2 3.43Å; E483-R486 PolarHBondContact OE1-NH2 2.73Å; E483-R486 IonicContact OE2-CZ 3.75Å; E483-R486 IonicContact OE2-NH1 2.63Å; E483-R486 IonicContact OE2-NH2 2.7Å; E483-R486 PolarHBondContact OE2-NH2 3.08Å; R486-M488 VanDerWaalsContact C-N 3.28Å; R486-M488 PolarHBondContact O-N 2.87Å; R486-E489 WeakPolarHBondContact O-CB 3.4Å; R486-E489 PolarHBondContact O-N 3.39Å; R486-E490 WeakPolarHBondContact CD-OE1 3.31Å; R486-E490 HydrophobicContact CG-CG 4.28Å; R486-E490 WeakPolarHBondContact CG-OE1 3.17Å; R486-E490 IonicContact NE-OE1 3.81Å; R486-E490 PolarHBondContact NE-OE1 3.08Å; R486-E490 VanDerWaalsContact NE-OE1 3.12Å; R486-E490 WeakPolarHBondContact O-CB 3.47Å; R486-E490 WeakPolarHBondContact O-CG 3.41Å; R486-E490 PolarHBondContact O-N 3.35Å
487A98.4Very high98Very high15 Ų1551 Ų5112%0.12425%0.249CC..Hα-helixtrans-60.5-37.4176.400000112.3F389 P392 E483 F484 Q485 E489 A491F389-A487 HydrophobicContact CE2-CB 3.93Å; F389-A487 HydrophobicContact CZ-CB 4.31Å; P392-A487 HydrophobicContact CG-CB 3.95Å; E483-A487 WeakPolarHBondContact O-CB 3.46Å; E483-A487 PolarHBondContact O-N 3.25Å; F484-A487 PolarHBondContact O-N 2.61Å; Q485-A487 VanDerWaalsContact C-N 3.31Å; Q485-A487 PolarHBondContact O-N 2.67Å; A487-E489 VanDerWaalsContact C-N 3.35Å; A487-A491 VanDerWaalsContact O-CB 3.24Å; A487-A491 WeakPolarHBondContact O-CB 3.42Å; A487-A491 PolarHBondContact O-N 3.39Å
488M98.5Very high98.1Very high2 Ų250.8 Ų50.81%0.0125%0.248CC..Hα-helixtrans-68.2-33.2174.1-70.1-176.271.800112.9F389 F484 Q485 R486 N493 L494 I497 Y531F389-M488 HydrophobicContact CE2-CG 4Å; F389-M488 HydrophobicContact CZ-CG 3.83Å; F484-M488 HydrophobicContact CD1-CG 4.2Å; F484-M488 HydrophobicContact CD1-SD 3.95Å; F484-M488 HydrophobicContact CE1-CG 3.97Å; F484-M488 HydrophobicContact CE1-SD 3.59Å; F484-M488 VanDerWaalsContact CE1-SD 3.59Å; F484-M488 WeakPolarHBondContact O-CG 3.48Å; F484-M488 PolarHBondContact O-N 2.83Å; F484-M488 VanDerWaalsContact O-N 3.07Å; Q485-M488 WeakPolarHBondContact O-CB 3.45Å; Q485-M488 PolarHBondContact O-N 3.27Å; Q485-M488 VanDerWaalsContact O-N 3.07Å; R486-M488 VanDerWaalsContact C-N 3.28Å; R486-M488 PolarHBondContact O-N 2.87Å; M488-N493 WeakPolarHBondContact O-CA 3.47Å; M488-N493 PolarHBondContact O-N 3.07Å; M488-L494 HydrophobicContact CB-CB 4.26Å; M488-L494 HydrophobicContact CB-CD1 4.38Å; M488-L494 HydrophobicContact CB-CG 4.49Å; M488-L494 HydrophobicContact CE-CB 3.73Å; M488-L494 HydrophobicContact CG-CD1 4.31Å; M488-L494 WeakPolarHBondContact O-CG 3.46Å; M488-L494 PolarHBondContact O-N 3.38Å; M488-I497 HydrophobicContact CE-CD1 3.93Å; M488-I497 HydrophobicContact CE-CG1 4.06Å; M488-I497 HydrophobicContact CG-CD1 4.19Å; M488-I497 HydrophobicContact SD-CD1 3.93Å; M488-Y531 HydrophobicContact CE-CE1 4.4Å; M488-Y531 HydrophobicContact SD-CE1 3.59Å; M488-Y531 VanDerWaalsContact SD-CE1 3.59Å
489E98.1Very high98.3Very high78 Ų7846 Ų4636%0.36423%0.225SC..Hα-helixtrans-69.9-49175.4-69.3167.9-174.800110.7Q485 R486 A487 A491 G492 N493Q485-E489 WeakPolarHBondContact CG-OE1 3.36Å; Q485-E489 PolarHBondContact NE2-OE1 3.15Å; Q485-E489 WeakPolarHBondContact O-CG 3.48Å; Q485-E489 PolarHBondContact O-N 3.15Å; R486-E489 WeakPolarHBondContact O-CB 3.4Å; R486-E489 PolarHBondContact O-N 3.39Å; A487-E489 VanDerWaalsContact C-N 3.35Å; E489-A491 VanDerWaalsContact C-N 3.29Å; E489-A491 PolarHBondContact O-N 3.33Å; E489-G492 PolarHBondContact O-N 3.32Å; E489-N493 PolarHBondContact O-N 3.13Å
490E98.2Very high98.3Very high138 Ų13840.9 Ų40.965%0.64520%0.203SC*.Hα-helixtrans-61.5-33.8177.9-71.8171.6-178.700112.9R486 G492R486-E490 WeakPolarHBondContact CD-OE1 3.31Å; R486-E490 HydrophobicContact CG-CG 4.28Å; R486-E490 WeakPolarHBondContact CG-OE1 3.17Å; R486-E490 IonicContact NE-OE1 3.81Å; R486-E490 PolarHBondContact NE-OE1 3.08Å; R486-E490 VanDerWaalsContact NE-OE1 3.12Å; R486-E490 WeakPolarHBondContact O-CB 3.47Å; R486-E490 WeakPolarHBondContact O-CG 3.41Å; R486-E490 PolarHBondContact O-N 3.35Å; E490-G492 PolarHBondContact O-N 2.83Å
491A97.8Very high98.3Very high27 Ų2740.8 Ų40.822%0.22320%0.203CC..THydrogen-bonded Turntrans-74.75.5175.400000114.1L387 F389 A487 E489 L494L387-A491 WeakPolarHBondContact CD1-O 3.23Å; F389-A491 HydrophobicContact CD2-CB 3.86Å; F389-A491 HydrophobicContact CE2-CB 4.48Å; A487-A491 VanDerWaalsContact O-CB 3.24Å; A487-A491 WeakPolarHBondContact O-CB 3.42Å; A487-A491 PolarHBondContact O-N 3.39Å; E489-A491 VanDerWaalsContact C-N 3.29Å; E489-A491 PolarHBondContact O-N 3.33Å; A491-L494 HydrophobicContact CB-CD1 3.96Å; A491-L494 HydrophobicContact CB-CD2 4.38Å; A491-L494 HydrophobicContact CB-CG 4.13Å
492G97.4Very high98.3Very high32 Ų3237.3 Ų37.333%0.3319%0.189SC..THydrogen-bonded Turntrans112.330.5176.200000114.8E489 E490E489-G492 PolarHBondContact O-N 3.32Å; E490-G492 PolarHBondContact O-N 2.83Å
493N97.3Very high98.3Very high106 Ų10631.4 Ų31.457%0.56716%0.162SC*.  trans56.158.6-178.7-65.7-72000113.1M488 E489 D495M488-N493 WeakPolarHBondContact O-CA 3.47Å; M488-N493 PolarHBondContact O-N 3.07Å; E489-N493 PolarHBondContact O-N 3.13Å; N493-D495 PolarHBondContact O-N 2.98Å
494L98.6Very high98.3Very high0 Ų029.6 Ų29.60%015%0.154CC..  trans-59.4134.7-176-54.3-179.6000112.4T349 L387 F389 M488 A491 I497 K586T349-L494 HydrophobicContact CG2-CD2 3.86Å; T349-L494 WeakPolarHBondContact O-CA 3.47Å; L387-L494 HydrophobicContact CB-CD2 4.42Å; L387-L494 HydrophobicContact CD1-CD2 4.37Å; F389-L494 HydrophobicContact CB-CD1 4.03Å; F389-L494 HydrophobicContact CD2-CD1 3.59Å; F389-L494 HydrophobicContact CE2-CD1 4.19Å; F389-L494 HydrophobicContact CG-CD1 3.79Å; M488-L494 HydrophobicContact CB-CB 4.26Å; M488-L494 HydrophobicContact CB-CD1 4.38Å; M488-L494 HydrophobicContact CB-CG 4.49Å; M488-L494 HydrophobicContact CE-CB 3.73Å; M488-L494 HydrophobicContact CG-CD1 4.31Å; M488-L494 WeakPolarHBondContact O-CG 3.46Å; M488-L494 PolarHBondContact O-N 3.38Å; A491-L494 HydrophobicContact CB-CD1 3.96Å; A491-L494 HydrophobicContact CB-CD2 4.38Å; A491-L494 HydrophobicContact CB-CG 4.13Å; L494-I497 HydrophobicContact CD1-CG1 4.29Å; L494-K586 WeakPolarHBondContact O-CE 3.33Å; L494-K586 PolarHBondContact O-NZ 3.39Å
495D98.4Very high98.3Very high26 Ų2629.8 Ų29.814%0.13916%0.155CC..SBendtrans-86.1-35.4173.7-65.3-57.1000112K345 L348 T349 N493K345-D495 WeakPolarHBondContact CE-OD2 3.23Å; K345-D495 IonicContact NZ-OD1 2.62Å; K345-D495 PolarHBondContact NZ-OD1 3.29Å; K345-D495 IonicContact NZ-OD2 2.7Å; K345-D495 PolarHBondContact NZ-OD2 3.49Å; L348-D495 WeakPolarHBondContact CA-OD2 3.32Å; L348-D495 HydrophobicContact CB-CB 4.25Å; L348-D495 HydrophobicContact CD2-CB 3.84Å; T349-D495 PolarHBondContact N-OD2 3.14Å; T349-D495 PolarHBondContact O-N 2.93Å; N493-D495 PolarHBondContact O-N 2.98Å
496A98.7Very high98.4Very high0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-150.5169.5178.700000110.5I350 G351 I583 I584I350-A496 CarbonylContact C-O 3.46Å; I350-A496 WeakPolarHBondContact CA-O 3.17Å; I350-A496 HydrophobicContact CG1-CB 4.39Å; G351-A496 PolarHBondContact N-O 3.17Å; A496-I583 HydrophobicContact CB-CG2 4.31Å; A496-I584 CarbonylContact C-O 3.5Å; A496-I584 WeakPolarHBondContact CA-O 3.38Å; A496-I584 WeakPolarHBondContact CB-O 3.11Å
497I98.9Very high98.3Very high0 Ų021 Ų210%012%0.118CC..EExtended strand (participates in β ladder)trans-126.7137.2170.8-58.6158.7000108.7G351 Y353 F389 F484 M488 L494 C499 I583 I584G351-I497 CarbonylContact O-C 3.5Å; G351-I497 VanDerWaalsContact O-CA 3.23Å; G351-I497 WeakPolarHBondContact O-CA 3.43Å; Y353-I497 HydrophobicContact CD1-CG2 4.12Å; Y353-I497 HydrophobicContact CE1-CG2 3.79Å; F389-I497 HydrophobicContact CD1-CD1 3.74Å; F389-I497 HydrophobicContact CD1-CG1 4.06Å; F389-I497 HydrophobicContact CD1-CG2 4.17Å; F389-I497 HydrophobicContact CE1-CD1 3.46Å; F389-I497 VanDerWaalsContact CE1-CD1 3.46Å; F389-I497 HydrophobicContact CE1-CG1 4.28Å; F389-I497 HydrophobicContact CZ-CD1 4.18Å; F484-I497 HydrophobicContact CE1-CD1 3.86Å; F484-I497 HydrophobicContact CZ-CD1 3.73Å; M488-I497 HydrophobicContact CE-CD1 3.93Å; M488-I497 HydrophobicContact CE-CG1 4.06Å; M488-I497 HydrophobicContact CG-CD1 4.19Å; M488-I497 HydrophobicContact SD-CD1 3.93Å; L494-I497 HydrophobicContact CD1-CG1 4.29Å; I497-C499 HydrophobicContact CG2-CB 4.4Å; I497-I583 CarbonylContact O-C 3.59Å; I497-I583 WeakPolarHBondContact O-CA 3.47Å; I497-I584 HydrophobicContact CB-CB 4.11Å; I497-I584 HydrophobicContact CB-CG1 4.33Å; I497-I584 PolarHBondContact N-O 3.3Å; I497-I584 PolarHBondContact O-N 3.39Å
498I98.9Very high98.3Very high0 Ų020.7 Ų20.70%012%0.116CC..EExtended strand (participates in β ladder)trans-107.5127.6167.6-177.6172.6000110I350 G351 Y352 Y353 S375 V376 L379 L386 V581 I583 L600I350-I498 HydrophobicContact CG2-CB 4.32Å; I350-I498 HydrophobicContact CG2-CG2 3.91Å; G351-I498 PolarHBondContact O-N 2.9Å; Y352-I498 VanDerWaalsContact CA-O 3.29Å; Y352-I498 WeakPolarHBondContact CA-O 3.47Å; Y352-I498 VanDerWaalsContact CB-CG2 3.46Å; Y353-I498 PolarHBondContact N-O 3.19Å; S375-I498 VanDerWaalsContact CB-CD1 3.5Å; V376-I498 HydrophobicContact CG2-CD1 4.47Å; V376-I498 HydrophobicContact CG2-CG2 3.71Å; L379-I498 HydrophobicContact CD1-CD1 3.91Å; L386-I498 HydrophobicContact CD1-CG2 4.34Å; I498-V581 HydrophobicContact CD1-CB 4.27Å; I498-V581 HydrophobicContact CD1-CG1 4.36Å; I498-V581 HydrophobicContact CD1-CG2 4Å; I498-V581 HydrophobicContact CG1-CB 4.05Å; I498-V581 HydrophobicContact CG1-CG1 4.42Å; I498-V581 HydrophobicContact CG1-CG2 4.15Å; I498-I583 HydrophobicContact CB-CD1 3.8Å; I498-I583 HydrophobicContact CD1-CD1 4.07Å; I498-I583 HydrophobicContact CG1-CD1 3.77Å; I498-L600 HydrophobicContact CD1-CD1 4.11Å
499C98.9Very high98.1Very high0 Ų024.4 Ų24.40%013%0.132CC..EExtended strand (participates in β ladder)trans-156.6171.2-177.362.50000112.4Y353 I497 Q582Y353-C499 HydrophobicContact CD1-CB 3.97Å; Y353-C499 HydrophobicContact CD2-CB 3.81Å; Y353-C499 HydrophobicContact CE1-CB 3.53Å; Y353-C499 HydrophobicContact CE2-CB 3.37Å; Y353-C499 HydrophobicContact CG-CB 4.1Å; Y353-C499 PolarHBondContact OH-SG 2.99Å; Y353-C499 VanDerWaalsContact OH-SG 3.32Å; I497-C499 HydrophobicContact CG2-CB 4.4Å; C499-Q582 PolarHBondContact N-O 3.31Å; C499-Q582 PolarHBondContact O-N 3.23Å; C499-Q582 WeakPolarHBondContact SG-CG 3.42Å
500P98.8Very high98Very high0 Ų025.3 Ų25.30%015%0.147CC..EExtended strand (participates in β ladder)trans-57.8139.2172.5-24.731.6000112.4Y353 V354 V368 V372 Y522 Q582Y353-P500 WeakPolarHBondContact O-CD 3.31Å; V354-P500 WeakPolarHBondContact O-CG 3.39Å; V368-P500 HydrophobicContact CG1-CB 3.56Å; V368-P500 HydrophobicContact CG1-CG 3.71Å; V372-P500 HydrophobicContact CG2-CG 3.95Å; P500-Y522 HydrophobicContact CB-CD1 3.8Å; P500-Y522 HydrophobicContact CB-CE1 3.74Å; P500-Y522 HydrophobicContact CG-CD1 4.35Å; P500-Y522 HydrophobicContact CG-CE1 3.88Å; P500-Q582 PolarHBondContact O-NE2 2.85Å
501V98.6Very high97.8Very high0 Ų019 Ų190%012%0.118CC..SBendtrans-70.1-44.5166.4-167.10000110.5R263 V267 Y522 T523 T535 V581 Q582R263-V501 HydrophobicContact CB-CG1 3.88Å; V267-V501 HydrophobicContact CB-CB 4.11Å; V267-V501 HydrophobicContact CB-CG1 4.14Å; V267-V501 HydrophobicContact CB-CG2 4Å; V267-V501 HydrophobicContact CG1-CB 3.89Å; V267-V501 HydrophobicContact CG1-CG1 3.77Å; V267-V501 HydrophobicContact CG1-CG2 4.34Å; V267-V501 HydrophobicContact CG2-CB 4.18Å; V267-V501 HydrophobicContact CG2-CG2 3.83Å; V501-Y522 WeakPolarHBondContact O-CB 3.47Å; V501-T523 HydrophobicContact CG1-CG2 4.47Å; V501-T523 WeakPolarHBondContact O-CG2 3.49Å; V501-T535 HydrophobicContact CB-CG2 4.26Å; V501-T535 HydrophobicContact CG1-CG2 3.53Å; V501-T535 HydrophobicContact CG2-CG2 3.67Å; V501-V581 WeakPolarHBondContact CG2-O 3.06Å; V501-Q582 HydrophobicContact CG2-CB 3.94Å; V501-Q582 HydrophobicContact CG2-CG 4.49Å
502F98.2Very high97.5Very high5 Ų524.3 Ų24.32%0.02214%0.136CC..SBendtrans-145.3150.3-179-145.6-116.3000107.3L214 I264 F268 F504 A519L214-F502 HydrophobicContact CD1-CE2 4.46Å; L214-F502 HydrophobicContact CD1-CZ 3.85Å; I264-F502 HydrophobicContact CD1-CD2 4.36Å; I264-F502 HydrophobicContact CD1-CE2 4.05Å; I264-F502 HydrophobicContact CG1-CD2 4.2Å; I264-F502 HydrophobicContact CG1-CE2 4.36Å; F268-F502 HydrophobicContact CE1-CB 4.2Å; F268-F502 AromaticContact CE1-CD1 3.77Å; F268-F502 HydrophobicContact CE1-CD1 3.77Å; F268-F502 HydrophobicContact CE1-CE1 4.43Å; F268-F502 HydrophobicContact CE1-CG 4.17Å; F268-F502 AromaticContact CZ-CD1 3.54Å; F268-F502 HydrophobicContact CZ-CD1 3.54Å; F268-F502 AromaticContact CZ-CE1 3.74Å; F268-F502 HydrophobicContact CZ-CE1 3.74Å; F268-F502 HydrophobicContact CZ-CG 4.23Å; F502-F504 AromaticContact CD1-CD2 3.97Å; F502-F504 HydrophobicContact CD1-CD2 3.97Å; F502-F504 HydrophobicContact CD1-CE1 4.31Å; F502-F504 AromaticContact CD1-CE2 3.72Å; F502-F504 HydrophobicContact CD1-CE2 3.72Å; F502-F504 HydrophobicContact CD1-CG 4.35Å; F502-F504 AromaticContact CD1-CZ 3.88Å; F502-F504 HydrophobicContact CD1-CZ 3.88Å; F502-F504 HydrophobicContact CE1-CD2 4.08Å; F502-F504 HydrophobicContact CE1-CE1 4.03Å; F502-F504 AromaticContact CE1-CE2 3.34Å; F502-F504 HydrophobicContact CE1-CE2 3.34Å; F502-F504 AromaticContact CE1-CZ 3.29Å; F502-F504 HydrophobicContact CE1-CZ 3.29Å; F502-F504 HydrophobicContact CZ-CZ 4.21Å; F502-F504 PolarHBondContact O-N 2.6Å; F502-A519 HydrophobicContact CD1-CB 4.23Å; F502-A519 HydrophobicContact CD2-CB 4.19Å; F502-A519 HydrophobicContact CE1-CB 3.63Å; F502-A519 HydrophobicContact CE2-CB 3.57Å; F502-A519 HydrophobicContact CZ-CB 3.26Å
503P98.2Very high97.1Very high0 Ų023.2 Ų23.20%012%0.123CC..SBendtrans-72-4.7-176.526.8-32.2000113.8I362 S364 V365 A519 Y522I362-P503 HydrophobicContact CD1-CG 4.05Å; I362-P503 HydrophobicContact CG1-CB 4.45Å; I362-P503 HydrophobicContact CG1-CG 4.25Å; I362-P503 HydrophobicContact CG2-CB 4.48Å; I362-P503 HydrophobicContact CG2-CG 3.82Å; S364-P503 CarbonylContact C-O 3.57Å; S364-P503 VanDerWaalsContact CA-O 3.27Å; S364-P503 WeakPolarHBondContact CA-O 3.47Å; V365-P503 WeakPolarHBondContact CG2-O 3.5Å; V365-P503 PolarHBondContact N-O 3.22Å; P503-A519 HydrophobicContact CG-CB 3.48Å; P503-A519 VanDerWaalsContact CG-CB 3.48Å; P503-Y522 HydrophobicContact CB-CD2 4.34Å; P503-Y522 HydrophobicContact CB-CE2 3.73Å; P503-Y522 HydrophobicContact CG-CD2 4.01Å; P503-Y522 HydrophobicContact CG-CE2 3.8Å
504F98.6Very high96.7Very high5 Ų519.9 Ų19.92%0.02211%0.105CC..SBendtrans-153.5159.7176.446-94.6000110.6I362 V365 F502 F507 V516 A519 V567I362-F504 HydrophobicContact CD1-CD1 4.06Å; I362-F504 HydrophobicContact CD1-CE1 3.48Å; I362-F504 VanDerWaalsContact CD1-CE1 3.48Å; V365-F504 HydrophobicContact CG1-CB 3.95Å; V365-F504 HydrophobicContact CG2-CB 3.93Å; F502-F504 AromaticContact CD1-CD2 3.97Å; F502-F504 HydrophobicContact CD1-CD2 3.97Å; F502-F504 HydrophobicContact CD1-CE1 4.31Å; F502-F504 AromaticContact CD1-CE2 3.72Å; F502-F504 HydrophobicContact CD1-CE2 3.72Å; F502-F504 HydrophobicContact CD1-CG 4.35Å; F502-F504 AromaticContact CD1-CZ 3.88Å; F502-F504 HydrophobicContact CD1-CZ 3.88Å; F502-F504 HydrophobicContact CE1-CD2 4.08Å; F502-F504 HydrophobicContact CE1-CE1 4.03Å; F502-F504 AromaticContact CE1-CE2 3.34Å; F502-F504 HydrophobicContact CE1-CE2 3.34Å; F502-F504 AromaticContact CE1-CZ 3.29Å; F502-F504 HydrophobicContact CE1-CZ 3.29Å; F502-F504 HydrophobicContact CZ-CZ 4.21Å; F502-F504 PolarHBondContact O-N 2.6Å; F504-F507 HydrophobicContact CD2-CB 4.25Å; F504-F507 HydrophobicContact CD2-CD1 4.48Å; F504-F507 HydrophobicContact CE2-CB 3.89Å; F504-F507 AromaticContact CE2-CD1 3.65Å; F504-F507 HydrophobicContact CE2-CD1 3.65Å; F504-F507 HydrophobicContact CE2-CG 4.13Å; F504-V516 HydrophobicContact CE2-CB 4.34Å; F504-V516 HydrophobicContact CE2-CG1 4.05Å; F504-V516 HydrophobicContact CZ-CB 3.9Å; F504-V516 HydrophobicContact CZ-CG1 3.83Å; F504-A519 HydrophobicContact CE1-CB 3.94Å; F504-A519 HydrophobicContact CZ-CB 4.07Å; F504-V567 HydrophobicContact CD1-CG1 3.86Å; F504-V567 HydrophobicContact CE1-CG1 4.16Å
505P98.5Very high96.4Very high4 Ų420.1 Ų20.13%0.02611%0.106CC..SBendtrans-60.2-175.917028.6-40.6000112.7F507 V541 L577 V579P505-F507 PolarHBondContact O-N 2.95Å; P505-V541 HydrophobicContact CB-CG2 4Å; P505-V541 HydrophobicContact CG-CG2 3.74Å; P505-L577 HydrophobicContact CB-CB 4.07Å; P505-L577 HydrophobicContact CB-CD1 4.43Å; P505-V579 HydrophobicContact CB-CG2 4.26Å
506A98.5Very high96.1Very high1 Ų118.9 Ų18.91%0.00810%0.099CC..SBendtrans-51.2129.7173.700000111.2N226 H232 E233 F268 L577N226-A506 WeakPolarHBondContact ND2-CB 3.36Å; H232-A506 HydrophobicContact CB-CB 4.1Å; H232-A506 PolarHBondContact CD2-O 2.83Å; E233-A506 WeakPolarHBondContact O-CB 3.45Å; F268-A506 HydrophobicContact CB-CB 3.91Å; F268-A506 HydrophobicContact CD1-CB 4.22Å; F268-A506 HydrophobicContact CD2-CB 3.82Å; F268-A506 HydrophobicContact CE2-CB 4.41Å; F268-A506 HydrophobicContact CG-CB 3.74Å; A506-L577 HydrophobicContact CB-CD1 4.22Å; A506-L577 VanDerWaalsContact O-CD1 3.25Å; A506-L577 WeakPolarHBondContact O-CD1 3.02Å
507F97.4Very high95.7Very high1 Ų121 Ų210%0.00411%0.112CC..PPolyproline II helixtrans-90.4153.9-177.655-91.4000111.1L214 H232 E233 F268 F504 P505 A511 V516L214-F507 HydrophobicContact CB-CE1 4.19Å; L214-F507 HydrophobicContact CB-CZ 3.87Å; L214-F507 HydrophobicContact CD1-CE1 4.39Å; H232-F507 WeakPolarHBondContact CA-O 3.25Å; H232-F507 VanDerWaalsContact CD2-C 3.49Å; E233-F507 HydrophobicContact CB-CD2 4.15Å; E233-F507 HydrophobicContact CB-CE1 4.47Å; E233-F507 HydrophobicContact CB-CE2 3.89Å; E233-F507 HydrophobicContact CB-CZ 4.06Å; E233-F507 HydrophobicContact CG-CD2 3.86Å; E233-F507 HydrophobicContact CG-CE2 3.5Å; E233-F507 HydrophobicContact CG-CZ 4.09Å; E233-F507 PolarHBondContact N-O 3.17Å; F268-F507 AromaticContact CE2-CD1 3.61Å; F268-F507 HydrophobicContact CE2-CD1 3.61Å; F268-F507 AromaticContact CE2-CE1 3.61Å; F268-F507 HydrophobicContact CE2-CE1 3.61Å; F268-F507 AromaticContact CZ-CD1 3.83Å; F268-F507 HydrophobicContact CZ-CD1 3.83Å; F268-F507 HydrophobicContact CZ-CE1 4.06Å; F504-F507 HydrophobicContact CD2-CB 4.25Å; F504-F507 HydrophobicContact CD2-CD1 4.48Å; F504-F507 HydrophobicContact CE2-CB 3.89Å; F504-F507 AromaticContact CE2-CD1 3.65Å; F504-F507 HydrophobicContact CE2-CD1 3.65Å; F504-F507 HydrophobicContact CE2-CG 4.13Å; P505-F507 PolarHBondContact O-N 2.95Å; F507-A511 HydrophobicContact CB-CB 4.37Å; F507-A511 HydrophobicContact CD2-CB 3.81Å; F507-A511 HydrophobicContact CG-CB 4.5Å; F507-V516 HydrophobicContact CB-CG1 4.15Å; F507-V516 HydrophobicContact CD1-CB 4.21Å; F507-V516 HydrophobicContact CD1-CG1 4.21Å; F507-V516 HydrophobicContact CD2-CB 4.39Å; F507-V516 HydrophobicContact CD2-CG1 4.02Å; F507-V516 HydrophobicContact CD2-CG2 4.24Å; F507-V516 HydrophobicContact CE1-CB 4.14Å; F507-V516 HydrophobicContact CE1-CG2 4.26Å; F507-V516 HydrophobicContact CE2-CB 4.32Å; F507-V516 HydrophobicContact CE2-CG1 4.41Å; F507-V516 HydrophobicContact CE2-CG2 3.8Å; F507-V516 HydrophobicContact CG-CB 4.31Å; F507-V516 HydrophobicContact CG-CG1 3.87Å; F507-V516 HydrophobicContact CZ-CB 4.21Å; F507-V516 HydrophobicContact CZ-CG2 3.82Å
508P97.6Very high95.4Very high10 Ų1021.6 Ų21.67%0.06512%0.116CC..BIsolated β-bridgetrans-65.8147.6-179.526.3-33.9000110.6E231 S510 A511 Y570E231-P508 CarbonylContact O-C 3.56Å; E231-P508 WeakPolarHBondContact O-CA 3.3Å; P508-S510 PolarHBondContact O-N 3.37Å; P508-A511 HydrophobicContact CG-CB 4.25Å; P508-A511 WeakPolarHBondContact O-CB 3.26Å; P508-A511 PolarHBondContact O-N 3.25Å; P508-Y570 HydrophobicContact CG-CD1 3.95Å; P508-Y570 HydrophobicContact CG-CG 4.21Å
509K95.6Very high95.2Very high80 Ų8021.6 Ų21.635%0.34812%0.116SC..THydrogen-bonded Turntrans-58.2-21.1177.1-71.1174.9173.9172.50113.6S225 S230 E231 E233 A511S225-K509 PolarHBondContact OG-NZ 3.14Å; S230-K509 WeakPolarHBondContact O-CE 3.4Å; S230-K509 PolarHBondContact O-NZ 2.81Å; E231-K509 PolarHBondContact O-N 3.2Å; E233-K509 HydrophobicContact CG-CG 4.09Å; K509-A511 VanDerWaalsContact C-N 3.29Å
510S94.2Very high95.1Very high97 Ų9722.1 Ų22.168%0.67812%0.119SC*.THydrogen-bonded Turntrans-77.7-11.3174.8630000113.7P508 K512P508-S510 PolarHBondContact O-N 3.37Å; S510-K512 PolarHBondContact O-N 3.45Å
511A94.9Very high94.9Very high5 Ų522.3 Ų22.34%0.04112%0.121CC..SBendtrans-66.4133.9-178.500000111.3F507 P508 K509 V516 Y570F507-A511 HydrophobicContact CB-CB 4.37Å; F507-A511 HydrophobicContact CD2-CB 3.81Å; F507-A511 HydrophobicContact CG-CB 4.5Å; P508-A511 HydrophobicContact CG-CB 4.25Å; P508-A511 WeakPolarHBondContact O-CB 3.26Å; P508-A511 PolarHBondContact O-N 3.25Å; K509-A511 VanDerWaalsContact C-N 3.29Å; A511-V516 HydrophobicContact CB-CG1 4.03Å; A511-Y570 HydrophobicContact CB-CD1 4.34Å; A511-Y570 HydrophobicContact CB-CD2 3.96Å; A511-Y570 HydrophobicContact CB-CE1 4.09Å; A511-Y570 HydrophobicContact CB-CE2 3.67Å; A511-Y570 HydrophobicContact CB-CG 4.3Å
512K92.2Very high94.9Very high138 Ų13822.3 Ų22.360%0.612%0.121SC*.  trans-76.8134.4178.9-63.3-178.9179.3176.40110.1S510 M514 F515 Y570S510-K512 PolarHBondContact O-N 3.45Å; K512-M514 HydrophobicContact CB-CG 4.22Å; K512-M514 PolarHBondContact O-N 3.31Å; K512-F515 HydrophobicContact CB-CD2 3.91Å; K512-F515 HydrophobicContact CB-CE2 4.21Å; K512-F515 HydrophobicContact CD-CE2 4.29Å; K512-F515 PolarHBondContact O-N 3.14Å; K512-Y570 PolarHBondContact N-OH 3.06Å
513S89Confident94.9Very high10 Ų1022 Ų227%0.0712%0.119CC..Hα-helixtrans-46.8-38.5179.4-155.60000113.7H425 F515 V516 T517H425-S513 WeakPolarHBondContact ND1-CB 3.32Å; H425-S513 PolarHBondContact ND1-OG 2.83Å; S513-F515 PolarHBondContact O-N 2.84Å; S513-F515 VanDerWaalsContact O-N 3.17Å; S513-V516 PolarHBondContact O-N 2.97Å; S513-T517 VanDerWaalsContact O-CB 3.28Å; S513-T517 WeakPolarHBondContact O-CB 3.41Å; S513-T517 PolarHBondContact O-N 3.17Å; S513-T517 PolarHBondContact O-OG1 3.38Å; S513-T517 PolarHBondContact OG-OG1 3.39Å
514M88.2Confident94.8Very high35 Ų3522 Ų2217%0.17212%0.119CC..Hα-helixtrans-60.2-26.7-178.769.7179.7-70.300114.3F428 L447 F451 K512 P518 Y563F428-M514 HydrophobicContact CE1-CB 4.25Å; F428-M514 HydrophobicContact CE2-CB 4.21Å; F428-M514 HydrophobicContact CZ-CB 3.77Å; L447-M514 HydrophobicContact CD2-CE 4.22Å; F451-M514 HydrophobicContact CD1-CE 4.22Å; F451-M514 HydrophobicContact CD2-CE 3.63Å; F451-M514 HydrophobicContact CE1-CE 4.26Å; F451-M514 HydrophobicContact CE2-CE 3.67Å; F451-M514 HydrophobicContact CG-CE 3.91Å; F451-M514 HydrophobicContact CZ-CE 3.99Å; F451-M514 HydrophobicContact CZ-SD 4.48Å; K512-M514 HydrophobicContact CB-CG 4.22Å; K512-M514 PolarHBondContact O-N 3.31Å; M514-P518 WeakPolarHBondContact O-CD 3.32Å; M514-Y563 WeakPolarHBondContact O-CE2 3.43Å
515F92.1Very high94.7Very high5 Ų522 Ų222%0.02212%0.12CC..Hα-helixtrans-92.1-15.1-179.3-61.6-61000113.5F451 K512 S513 Y563 N566 V567 Y570F451-F515 AromaticContact CD1-CE1 3.89Å; F451-F515 HydrophobicContact CD1-CE1 3.89Å; F451-F515 AromaticContact CD1-CZ 3.88Å; F451-F515 HydrophobicContact CD1-CZ 3.88Å; F451-F515 HydrophobicContact CE1-CE1 4.35Å; F451-F515 AromaticContact CE1-CZ 3.86Å; F451-F515 HydrophobicContact CE1-CZ 3.86Å; K512-F515 HydrophobicContact CB-CD2 3.91Å; K512-F515 HydrophobicContact CB-CE2 4.21Å; K512-F515 HydrophobicContact CD-CE2 4.29Å; K512-F515 PolarHBondContact O-N 3.14Å; S513-F515 PolarHBondContact O-N 2.84Å; S513-F515 VanDerWaalsContact O-N 3.17Å; F515-Y563 AromaticContact CD1-CD2 3.58Å; F515-Y563 HydrophobicContact CD1-CD2 3.58Å; F515-Y563 AromaticContact CD1-CE2 3.96Å; F515-Y563 HydrophobicContact CD1-CE2 3.96Å; F515-Y563 HydrophobicContact CD1-CG 4.03Å; F515-Y563 HydrophobicContact CE1-CD2 4.06Å; F515-Y563 HydrophobicContact CE1-CG 4.48Å; F515-Y563 PolarHBondContact O-OH 2.94Å; F515-N566 HydrophobicContact CD1-CB 4.04Å; F515-N566 HydrophobicContact CD2-CB 4.02Å; F515-N566 HydrophobicContact CE1-CB 4.13Å; F515-N566 HydrophobicContact CE2-CB 4.1Å; F515-N566 HydrophobicContact CG-CB 4Å; F515-N566 HydrophobicContact CZ-CB 4.16Å; F515-V567 HydrophobicContact CB-CG2 4.32Å; F515-V567 WeakPolarHBondContact O-CG2 3.49Å; F515-Y570 HydrophobicContact CB-CE2 3.99Å; F515-Y570 HydrophobicContact CD2-CE2 4.2Å; F515-Y570 HydrophobicContact CG-CE2 4.42Å
516V92.5Very high94.7Very high1 Ų121.9 Ų21.91%0.00612%0.118CC..Hα-helixtrans-116.8-34.8-172.3-61.30000112.8F504 F507 A511 S513 A519F504-V516 HydrophobicContact CE2-CB 4.34Å; F504-V516 HydrophobicContact CE2-CG1 4.05Å; F504-V516 HydrophobicContact CZ-CB 3.9Å; F504-V516 HydrophobicContact CZ-CG1 3.83Å; F507-V516 HydrophobicContact CB-CG1 4.15Å; F507-V516 HydrophobicContact CD1-CB 4.21Å; F507-V516 HydrophobicContact CD1-CG1 4.21Å; F507-V516 HydrophobicContact CD2-CB 4.39Å; F507-V516 HydrophobicContact CD2-CG1 4.02Å; F507-V516 HydrophobicContact CD2-CG2 4.24Å; F507-V516 HydrophobicContact CE1-CB 4.14Å; F507-V516 HydrophobicContact CE1-CG2 4.26Å; F507-V516 HydrophobicContact CE2-CB 4.32Å; F507-V516 HydrophobicContact CE2-CG1 4.41Å; F507-V516 HydrophobicContact CE2-CG2 3.8Å; F507-V516 HydrophobicContact CG-CB 4.31Å; F507-V516 HydrophobicContact CG-CG1 3.87Å; F507-V516 HydrophobicContact CZ-CB 4.21Å; F507-V516 HydrophobicContact CZ-CG2 3.82Å; A511-V516 HydrophobicContact CB-CG1 4.03Å; S513-V516 PolarHBondContact O-N 2.97Å; V516-A519 VanDerWaalsContact O-CB 3.25Å; V516-A519 WeakPolarHBondContact O-CB 3.38Å; V516-A519 PolarHBondContact O-N 2.95Å
517T90.6Very high94.6Very high44 Ų4422.1 Ų22.127%0.2712%0.12SC..G310 helixtrans-62.7-39.8-179-57.90000113.2S513 A519 V520S513-T517 VanDerWaalsContact O-CB 3.28Å; S513-T517 WeakPolarHBondContact O-CB 3.41Å; S513-T517 PolarHBondContact O-N 3.17Å; S513-T517 PolarHBondContact O-OG1 3.38Å; S513-T517 PolarHBondContact OG-OG1 3.39Å; T517-A519 PolarHBondContact O-N 3.21Å; T517-V520 WeakPolarHBondContact O-CG1 3.39Å; T517-V520 VanDerWaalsContact O-CG2 3.27Å; T517-V520 WeakPolarHBondContact O-CG2 3.2Å; T517-V520 PolarHBondContact O-N 3.02Å; T517-V520 VanDerWaalsContact O-N 3.12Å
518P92.4Very high94.5Very high12 Ų1222.1 Ų22.18%0.07812%0.12CC..G310 helixtrans-60.2-17.5178.3-26.436.8000114.9Y398 V457 M514 V520 A521 Y563Y398-P518 WeakPolarHBondContact OH-CA 3.33Å; V457-P518 HydrophobicContact CG2-CB 4.07Å; V457-P518 HydrophobicContact CG2-CG 3.87Å; M514-P518 WeakPolarHBondContact O-CD 3.32Å; P518-V520 PolarHBondContact O-N 2.81Å; P518-A521 WeakPolarHBondContact O-CB 3.4Å; P518-A521 PolarHBondContact O-N 3Å; P518-Y563 WeakPolarHBondContact CB-OH 3.47Å; P518-Y563 WeakPolarHBondContact CD-OH 3.21Å; P518-Y563 HydrophobicContact CG-CE2 4.37Å; P518-Y563 VanDerWaalsContact CG-OH 3.32Å; P518-Y563 WeakPolarHBondContact CG-OH 3.14Å
519A95.3Very high94.5Very high0 Ų021.8 Ų21.80%012%0.117CC..G310 helixtrans-66.5-11.4176.300000114.4I362 F502 P503 F504 V516 T517 A521 Y522I362-A519 HydrophobicContact CD1-CB 4.32Å; I362-A519 HydrophobicContact CG2-CB 3.9Å; F502-A519 HydrophobicContact CD1-CB 4.23Å; F502-A519 HydrophobicContact CD2-CB 4.19Å; F502-A519 HydrophobicContact CE1-CB 3.63Å; F502-A519 HydrophobicContact CE2-CB 3.57Å; F502-A519 HydrophobicContact CZ-CB 3.26Å; P503-A519 HydrophobicContact CG-CB 3.48Å; P503-A519 VanDerWaalsContact CG-CB 3.48Å; F504-A519 HydrophobicContact CE1-CB 3.94Å; F504-A519 HydrophobicContact CZ-CB 4.07Å; V516-A519 VanDerWaalsContact O-CB 3.25Å; V516-A519 WeakPolarHBondContact O-CB 3.38Å; V516-A519 PolarHBondContact O-N 2.95Å; T517-A519 PolarHBondContact O-N 3.21Å; A519-A521 PolarHBondContact O-N 3.42Å; A519-Y522 PolarHBondContact O-N 3.26Å; A519-Y522 VanDerWaalsContact O-N 3.14Å
520V95.2Very high94.5Very high12 Ų1219.5 Ų19.57%0.07311%0.109CC..G310 helixtrans-58.7-13.5169.3-60.30000113.1L214 I264 Y398 M402 T517 P518 Y522 T523 V524L214-V520 HydrophobicContact CD1-CG1 4.15Å; L214-V520 HydrophobicContact CD2-CG1 4.25Å; I264-V520 HydrophobicContact CD1-CG1 4.42Å; Y398-V520 HydrophobicContact CE2-CG2 4.12Å; M402-V520 HydrophobicContact CE-CG2 4.48Å; M402-V520 HydrophobicContact SD-CG2 3.92Å; T517-V520 WeakPolarHBondContact O-CG1 3.39Å; T517-V520 VanDerWaalsContact O-CG2 3.27Å; T517-V520 WeakPolarHBondContact O-CG2 3.2Å; T517-V520 PolarHBondContact O-N 3.02Å; T517-V520 VanDerWaalsContact O-N 3.12Å; P518-V520 PolarHBondContact O-N 2.81Å; V520-Y522 PolarHBondContact O-N 2.99Å; V520-Y522 VanDerWaalsContact O-N 3.12Å; V520-T523 PolarHBondContact O-N 2.74Å; V520-T523 PolarHBondContact O-OG1 3.12Å; V520-V524 WeakPolarHBondContact O-CG1 3.31Å; V520-V524 PolarHBondContact O-N 2.94Å
521A95.9Very high94.7Very high3 Ų315.5 Ų15.53%0.0258%0.079CC..Hα-helixtrans-47.1-36.7168.400000113.3L356 I361 Y398 P518 A519 T523L356-A521 HydrophobicContact CD1-CB 4.43Å; I361-A521 HydrophobicContact CD1-CB 4.05Å; I361-A521 HydrophobicContact CG2-CB 4.15Å; Y398-A521 HydrophobicContact CD1-CB 4.29Å; Y398-A521 HydrophobicContact CD2-CB 3.67Å; Y398-A521 HydrophobicContact CE1-CB 4.48Å; Y398-A521 HydrophobicContact CE2-CB 3.9Å; Y398-A521 HydrophobicContact CG-CB 3.9Å; P518-A521 WeakPolarHBondContact O-CB 3.4Å; P518-A521 PolarHBondContact O-N 3Å; A519-A521 PolarHBondContact O-N 3.42Å; A521-T523 VanDerWaalsContact C-N 3.26Å; A521-T523 PolarHBondContact O-N 3.34Å
522Y98Very high94.9Very high0 Ų015.2 Ų15.20%08%0.077CC..Hα-helixtrans-69.8-19.9179.4-78-103.6000114.1T355 L356 I361 I362 S364 P500 V501 P503 A519 V520 Q582T355-Y522 PolarHBondContact OG1-OH 3.28Å; L356-Y522 HydrophobicContact CB-CE1 4.49Å; L356-Y522 HydrophobicContact CB-CE2 4.39Å; L356-Y522 HydrophobicContact CD1-CD1 4.11Å; L356-Y522 HydrophobicContact CD1-CD2 3.85Å; L356-Y522 HydrophobicContact CD1-CE1 4.26Å; L356-Y522 HydrophobicContact CD1-CE2 3.96Å; L356-Y522 HydrophobicContact CD1-CG 3.94Å; L356-Y522 HydrophobicContact CG-CD1 4.14Å; L356-Y522 HydrophobicContact CG-CD2 4.49Å; L356-Y522 HydrophobicContact CG-CE1 3.9Å; L356-Y522 HydrophobicContact CG-CE2 4.22Å; L356-Y522 HydrophobicContact CG-CG 4.46Å; L356-Y522 PolarHBondContact N-OH 3.5Å; I361-Y522 HydrophobicContact CG2-CE2 4.29Å; I362-Y522 HydrophobicContact CG2-CE2 4.13Å; I362-Y522 WeakPolarHBondContact O-CE2 3.25Å; I362-Y522 PolarHBondContact O-OH 3.12Å; I362-Y522 VanDerWaalsContact O-OH 3.13Å; S364-Y522 PolarHBondContact N-OH 2.67Å; S364-Y522 PolarHBondContact OG-OH 2.86Å; P500-Y522 HydrophobicContact CB-CD1 3.8Å; P500-Y522 HydrophobicContact CB-CE1 3.74Å; P500-Y522 HydrophobicContact CG-CD1 4.35Å; P500-Y522 HydrophobicContact CG-CE1 3.88Å; V501-Y522 WeakPolarHBondContact O-CB 3.47Å; P503-Y522 HydrophobicContact CB-CD2 4.34Å; P503-Y522 HydrophobicContact CB-CE2 3.73Å; P503-Y522 HydrophobicContact CG-CD2 4.01Å; P503-Y522 HydrophobicContact CG-CE2 3.8Å; A519-Y522 PolarHBondContact O-N 3.26Å; A519-Y522 VanDerWaalsContact O-N 3.14Å; V520-Y522 PolarHBondContact O-N 2.99Å; V520-Y522 VanDerWaalsContact O-N 3.12Å; Y522-Q582 PolarHBondContact O-NE2 2.99Å
523T98.2Very high95.2Very high0 Ų08.7 Ų8.70%05%0.048CC..Hα-helixtrans-111.7-41.7-176.747.20000112.5A259 R263 I264 V501 V520 A521 L525 F526 N527A259-T523 PolarHBondContact O-OG1 3.11Å; A259-T523 VanDerWaalsContact O-OG1 3.05Å; R263-T523 HydrophobicContact CB-CG2 4.41Å; R263-T523 VanDerWaalsContact NH1-CA 3.31Å; R263-T523 PolarHBondContact NH1-O 3.07Å; R263-T523 PolarHBondContact NH2-O 3.18Å; R263-T523 VanDerWaalsContact NH2-O 3.14Å; I264-T523 HydrophobicContact CD1-CG2 4.47Å; I264-T523 HydrophobicContact CG1-CG2 4.12Å; V501-T523 HydrophobicContact CG1-CG2 4.47Å; V501-T523 WeakPolarHBondContact O-CG2 3.49Å; V520-T523 PolarHBondContact O-N 2.74Å; V520-T523 PolarHBondContact O-OG1 3.12Å; A521-T523 VanDerWaalsContact C-N 3.26Å; A521-T523 PolarHBondContact O-N 3.34Å; T523-L525 PolarHBondContact O-N 3.22Å; T523-F526 PolarHBondContact O-N 3.03Å; T523-F526 VanDerWaalsContact O-N 3.13Å; T523-N527 PolarHBondContact O-N 3.19Å; T523-N527 PolarHBondContact O-OD1 3.46Å
524V96.2Very high95.7Very high0 Ų08.2 Ų8.20%05%0.045CC..Hα-helixtrans-61.6-31.1-178.473.80000112.7Y398 I405 V520 F526 N527 M528Y398-V524 HydrophobicContact CD2-CG1 3.84Å; Y398-V524 HydrophobicContact CE2-CG1 4.28Å; I405-V524 HydrophobicContact CD1-CG2 3.61Å; V520-V524 WeakPolarHBondContact O-CG1 3.31Å; V520-V524 PolarHBondContact O-N 2.94Å; V524-F526 VanDerWaalsContact C-N 3.25Å; V524-F526 PolarHBondContact O-N 2.94Å; V524-N527 WeakPolarHBondContact O-CB 3.21Å; V524-N527 PolarHBondContact O-N 3.34Å; V524-N527 VanDerWaalsContact O-N 3.09Å; V524-M528 PolarHBondContact O-N 2.67Å
525L97.4Very high96.2Very high5 Ų56.5 Ų6.53%0.0264%0.037CC..Hα-helixtrans-48.9-49.7173.2175.260000110.9I394 A397 Y480 F484 T523 M528 L529I394-L525 HydrophobicContact CD1-CD1 4.41Å; I394-L525 HydrophobicContact CD1-CD2 3.85Å; A397-L525 HydrophobicContact CB-CD1 3.76Å; Y480-L525 HydrophobicContact CE1-CD1 3.78Å; F484-L525 HydrophobicContact CE2-CD1 4.48Å; F484-L525 HydrophobicContact CE2-CD2 4.28Å; T523-L525 PolarHBondContact O-N 3.22Å; L525-M528 HydrophobicContact CD1-CE 4.2Å; L525-M528 PolarHBondContact O-N 2.97Å; L525-L529 HydrophobicContact CD1-CD1 3.83Å; L525-L529 HydrophobicContact CD1-CG 4.27Å; L525-L529 HydrophobicContact CG-CD1 3.93Å; L525-L529 VanDerWaalsContact O-CG 3.26Å; L525-L529 WeakPolarHBondContact O-CG 3.38Å; L525-L529 PolarHBondContact O-N 2.78Å
526F98.1Very high96.5Very high0 Ų06.3 Ų6.30%04%0.036CC..Hα-helixtrans-81.6-14.5-176.8-53.8-62.1000114.1Y353 F484 T523 V524 L529 D530 Y531 A533 I584Y353-F526 VanDerWaalsContact OH-CZ 3.31Å; Y353-F526 WeakPolarHBondContact OH-CZ 3.24Å; F484-F526 HydrophobicContact CZ-CE1 4.04Å; T523-F526 PolarHBondContact O-N 3.03Å; T523-F526 VanDerWaalsContact O-N 3.13Å; V524-F526 VanDerWaalsContact C-N 3.25Å; V524-F526 PolarHBondContact O-N 2.94Å; F526-L529 HydrophobicContact CD1-CD1 3.98Å; F526-L529 HydrophobicContact CE1-CD1 4.29Å; F526-D530 PolarHBondContact O-N 3.25Å; F526-Y531 PolarHBondContact O-N 3.19Å; F526-A533 HydrophobicContact CB-CB 4.28Å; F526-I584 HydrophobicContact CB-CD1 4.35Å; F526-I584 HydrophobicContact CD1-CB 4.33Å; F526-I584 HydrophobicContact CD1-CD1 3.89Å; F526-I584 HydrophobicContact CD1-CG1 3.95Å; F526-I584 HydrophobicContact CD1-CG2 3.48Å; F526-I584 VanDerWaalsContact CD1-CG2 3.48Å; F526-I584 HydrophobicContact CD2-CD1 3.4Å; F526-I584 VanDerWaalsContact CD2-CD1 3.4Å; F526-I584 HydrophobicContact CD2-CG1 4.1Å; F526-I584 HydrophobicContact CE1-CB 4.17Å; F526-I584 HydrophobicContact CE1-CD1 4Å; F526-I584 HydrophobicContact CE1-CG1 3.63Å; F526-I584 HydrophobicContact CE1-CG2 3.66Å; F526-I584 HydrophobicContact CE2-CD1 3.51Å; F526-I584 HydrophobicContact CE2-CG1 3.78Å; F526-I584 HydrophobicContact CG-CD1 3.6Å; F526-I584 HydrophobicContact CG-CG1 4.17Å; F526-I584 HydrophobicContact CG-CG2 4.16Å; F526-I584 HydrophobicContact CZ-CD1 3.81Å; F526-I584 HydrophobicContact CZ-CG1 3.53Å; F526-I584 HydrophobicContact CZ-CG2 4.45Å
527N96.4Very high96.7Very high7 Ų76.8 Ų6.84%0.0374%0.039CC..Hα-helixtrans-72.7-45.5164-61.691.7000110.3D257 L258 A259 R263 K275 L297 T523 V524 L529 D530D257-N527 PolarHBondContact OD1-ND2 2.84Å; L258-N527 VanDerWaalsContact C-ND2 3.26Å; L258-N527 WeakPolarHBondContact O-CB 3.35Å; L258-N527 PolarHBondContact O-ND2 3.23Å; L258-N527 VanDerWaalsContact O-ND2 3.1Å; L258-N527 PolarHBondContact O-OD1 2.97Å; A259-N527 WeakPolarHBondContact CA-OD1 3.27Å; R263-N527 PolarHBondContact NH2-OD1 3.35Å; K275-N527 WeakPolarHBondContact CD-ND2 3.44Å; L297-N527 VanDerWaalsContact CD2-C 3.46Å; L297-N527 HydrophobicContact CD2-CB 4Å; L297-N527 WeakPolarHBondContact CD2-O 3.22Å; T523-N527 PolarHBondContact O-N 3.19Å; T523-N527 PolarHBondContact O-OD1 3.46Å; V524-N527 WeakPolarHBondContact O-CB 3.21Å; V524-N527 PolarHBondContact O-N 3.34Å; V524-N527 VanDerWaalsContact O-N 3.09Å; N527-L529 VanDerWaalsContact C-N 3.35Å; N527-L529 PolarHBondContact O-N 3.01Å; N527-D530 PolarHBondContact O-N 3.38Å; N527-D530 VanDerWaalsContact O-N 3.1Å
528M95.5Very high97.1Very high0 Ų05.5 Ų5.50%03%0.03CC..Hα-helixtrans-63.5-41.5179.6-176.1-171.266.700111.6L297 A397 L400 I477 Y480 R481 V524 L525 D530L297-M528 HydrophobicContact CD2-CB 4.3Å; A397-M528 HydrophobicContact CB-CE 3.82Å; L400-M528 HydrophobicContact CB-SD 3.49Å; L400-M528 WeakPolarHBondContact CB-SD 3.33Å; L400-M528 HydrophobicContact CD1-SD 4.24Å; I477-M528 HydrophobicContact CD1-CG 4.39Å; I477-M528 HydrophobicContact CG1-CG 4.03Å; I477-M528 HydrophobicContact CG1-SD 4.08Å; I477-M528 HydrophobicContact CG2-CG 3.85Å; Y480-M528 HydrophobicContact CD1-CE 3.25Å; Y480-M528 HydrophobicContact CE1-CE 3.52Å; Y480-M528 HydrophobicContact CG-CE 3.99Å; R481-M528 VanDerWaalsContact CZ-O 3.24Å; R481-M528 PolarHBondContact NE-O 3.03Å; R481-M528 PolarHBondContact NH2-O 3.37Å; V524-M528 PolarHBondContact O-N 2.67Å; L525-M528 HydrophobicContact CD1-CE 4.2Å; L525-M528 PolarHBondContact O-N 2.97Å; M528-D530 PolarHBondContact O-N 3.33Å
529L96.8Very high97.3Very high3 Ų35.5 Ų5.52%0.0163%0.033CC..THydrogen-bonded Turntrans-70.3-17.8175.5-66.6170.3000113.5Y480 R481 F484 L525 F526 N527 Y531Y480-L529 HydrophobicContact CD1-CD2 3.85Å; Y480-L529 HydrophobicContact CE1-CD2 3.89Å; Y480-L529 HydrophobicContact CE1-CG 4.5Å; R481-L529 HydrophobicContact CB-CD2 4.48Å; R481-L529 HydrophobicContact CG-CD2 3.98Å; F484-L529 HydrophobicContact CB-CD1 4.45Å; F484-L529 HydrophobicContact CB-CD2 3.64Å; F484-L529 HydrophobicContact CD1-CD1 3.65Å; F484-L529 HydrophobicContact CD1-CD2 4.16Å; F484-L529 HydrophobicContact CD2-CD1 3.62Å; F484-L529 HydrophobicContact CD2-CD2 4.25Å; F484-L529 HydrophobicContact CE1-CD1 3.67Å; F484-L529 HydrophobicContact CE2-CD1 3.64Å; F484-L529 HydrophobicContact CG-CD1 3.63Å; F484-L529 HydrophobicContact CG-CD2 3.76Å; F484-L529 HydrophobicContact CG-CG 4.35Å; F484-L529 HydrophobicContact CZ-CD1 3.67Å; L525-L529 HydrophobicContact CD1-CD1 3.83Å; L525-L529 HydrophobicContact CD1-CG 4.27Å; L525-L529 HydrophobicContact CG-CD1 3.93Å; L525-L529 VanDerWaalsContact O-CG 3.26Å; L525-L529 WeakPolarHBondContact O-CG 3.38Å; L525-L529 PolarHBondContact O-N 2.78Å; F526-L529 HydrophobicContact CD1-CD1 3.98Å; F526-L529 HydrophobicContact CE1-CD1 4.29Å; N527-L529 VanDerWaalsContact C-N 3.35Å; N527-L529 PolarHBondContact O-N 3.01Å; L529-Y531 HydrophobicContact CB-CD2 3.65Å; L529-Y531 HydrophobicContact CB-CE2 4.18Å; L529-Y531 HydrophobicContact CB-CG 4.08Å; L529-Y531 VanDerWaalsContact O-CD2 3.27Å; L529-Y531 WeakPolarHBondContact O-CD2 3.32Å; L529-Y531 PolarHBondContact O-N 2.95Å
530D96.4Very high97.4Very high32 Ų3210.1 Ų10.117%0.1715%0.051CC..THydrogen-bonded Turntrans60.926.6-169.7-15726.8000114.2T278 F526 N527 M528T278-D530 WeakPolarHBondContact CB-OD1 3.48Å; T278-D530 PolarHBondContact N-OD1 3.06Å; T278-D530 PolarHBondContact OG1-OD1 3.36Å; F526-D530 PolarHBondContact O-N 3.25Å; N527-D530 PolarHBondContact O-N 3.38Å; N527-D530 VanDerWaalsContact O-N 3.1Å; M528-D530 PolarHBondContact O-N 3.33Å
531Y98.3Very high97.5Very high13 Ų139.8 Ų9.85%0.0515%0.049CC..  trans-85131.8179.6-84.3-140.3000109.7K275 F484 M488 F526 L529 A533 I584 G585 K586 P587K275-Y531 WeakPolarHBondContact CE-O 3.15Å; K275-Y531 PolarHBondContact NZ-O 3.18Å; F484-Y531 HydrophobicContact CD1-CE1 4.31Å; F484-Y531 HydrophobicContact CE1-CD1 4.49Å; F484-Y531 HydrophobicContact CE1-CE1 4.1Å; M488-Y531 HydrophobicContact CE-CE1 4.4Å; M488-Y531 HydrophobicContact SD-CE1 3.59Å; M488-Y531 VanDerWaalsContact SD-CE1 3.59Å; F526-Y531 PolarHBondContact O-N 3.19Å; L529-Y531 HydrophobicContact CB-CD2 3.65Å; L529-Y531 HydrophobicContact CB-CE2 4.18Å; L529-Y531 HydrophobicContact CB-CG 4.08Å; L529-Y531 VanDerWaalsContact O-CD2 3.27Å; L529-Y531 WeakPolarHBondContact O-CD2 3.32Å; L529-Y531 PolarHBondContact O-N 2.95Å; Y531-A533 PolarHBondContact O-N 3.36Å; Y531-I584 HydrophobicContact CD1-CG2 3.75Å; Y531-I584 HydrophobicContact CG-CG2 4.22Å; Y531-G585 VanDerWaalsContact CB-O 3.24Å; Y531-G585 WeakPolarHBondContact CB-O 3.4Å; Y531-G585 WeakPolarHBondContact CD1-O 3.27Å; Y531-G585 VanDerWaalsContact CG-O 3.27Å; Y531-K586 HydrophobicContact CE1-CG 4.32Å; Y531-P587 HydrophobicContact CD2-CG 3.74Å; Y531-P587 VanDerWaalsContact CE2-CD 3.48Å; Y531-P587 HydrophobicContact CE2-CG 3.79Å
532P98.7Very high97.7Very high0 Ų012.3 Ų12.30%06%0.062CC..  trans-60.1138.1172.726-34.5000110.2K275 T277 I584 G585 K586 E590 V593K275-P532 CarbonylContact O-C 3.46Å; K275-P532 VanDerWaalsContact O-CA 3.25Å; K275-P532 WeakPolarHBondContact O-CA 3.35Å; T277-P532 WeakPolarHBondContact OG1-CD 3.37Å; P532-I584 WeakPolarHBondContact O-CA 3.37Å; P532-G585 VanDerWaalsContact CD-O 3.26Å; P532-G585 WeakPolarHBondContact CD-O 3.48Å; P532-G585 PolarHBondContact O-N 3.48Å; P532-K586 WeakPolarHBondContact CD-O 3.28Å; P532-K586 WeakPolarHBondContact CG-O 3.49Å; P532-E590 HydrophobicContact CB-CG 3.87Å; P532-V593 HydrophobicContact CB-CG2 4.26Å; P532-V593 HydrophobicContact CG-CG2 4.12Å
533A98.9Very high97.7Very high0 Ų018.6 Ų18.60%09%0.089CC..EExtended strand (participates in β ladder)trans-137.7116.6-174.900000109.6K275 F526 Y531 I583 I584K275-A533 PolarHBondContact N-O 3.31Å; K275-A533 PolarHBondContact O-N 2.9Å; F526-A533 HydrophobicContact CB-CB 4.28Å; Y531-A533 PolarHBondContact O-N 3.36Å; A533-I583 CarbonylContact C-O 3.49Å; A533-I583 WeakPolarHBondContact CA-O 3.45Å; A533-I584 HydrophobicContact CB-CD1 3.54Å
534G98.9Very high97.7Very high0 Ų024.3 Ų24.30%012%0.116CC..EExtended strand (participates in β ladder)trans-114142.9-179.600000111.7G273 Q582 I583 M597G273-G534 CarbonylContact O-C 3.54Å; G273-G534 WeakPolarHBondContact O-CA 3.49Å; G534-Q582 CarbonylContact O-C 3.57Å; G534-Q582 WeakPolarHBondContact O-CA 3.25Å; G534-Q582 WeakPolarHBondContact O-CB 3.23Å; G534-I583 PolarHBondContact N-O 3.11Å; G534-I583 PolarHBondContact O-N 2.88Å; G534-M597 WeakPolarHBondContact CA-SD 3.17Å
535T98.8Very high97.8Very high0 Ų024.6 Ų24.60%012%0.117CC..EExtended strand (participates in β ladder)trans-111.3138-177.555.20000111.3R263 S266 V272 G273 V501 V581 Q582 M597R263-T535 HydrophobicContact CB-CG2 3.53Å; R263-T535 HydrophobicContact CG-CG2 3.7Å; S266-T535 WeakPolarHBondContact CB-OG1 3.42Å; V272-T535 VanDerWaalsContact CA-O 3.27Å; V272-T535 WeakPolarHBondContact CA-O 3.44Å; G273-T535 PolarHBondContact N-O 3.15Å; G273-T535 PolarHBondContact N-OG1 3.37Å; G273-T535 PolarHBondContact O-N 3.12Å; G273-T535 PolarHBondContact O-OG1 3.28Å; V501-T535 HydrophobicContact CB-CG2 4.26Å; V501-T535 HydrophobicContact CG1-CG2 3.53Å; V501-T535 HydrophobicContact CG2-CG2 3.67Å; T535-V581 WeakPolarHBondContact CA-O 3.23Å; T535-Q582 HydrophobicContact CG2-CB 4.2Å; T535-M597 VanDerWaalsContact O-CE 3.23Å; T535-M597 WeakPolarHBondContact O-CE 3.48Å
536V98.2Very high97.9Very high0 Ų025 Ų250%012%0.12CC..EExtended strand (participates in β ladder)trans-133.7126.4175.859.40000110.1V272 M538 G580 V581 L600 E601V272-V536 HydrophobicContact CG1-CG2 4.44Å; V536-M538 HydrophobicContact CG1-CG 4.13Å; V536-M538 HydrophobicContact CG1-SD 4.1Å; V536-M538 HydrophobicContact CG2-SD 3.9Å; V536-G580 CarbonylContact O-C 3.43Å; V536-G580 WeakPolarHBondContact O-CA 3.48Å; V536-V581 HydrophobicContact CG1-CG2 3.53Å; V536-V581 PolarHBondContact N-O 3.38Å; V536-V581 PolarHBondContact O-N 3.47Å; V536-L600 HydrophobicContact CG1-CB 4.26Å; V536-L600 HydrophobicContact CG1-CD1 3.76Å; V536-E601 HydrophobicContact CG2-CB 4.22Å
537P97.4Very high97.9Very high12 Ų1230 Ų308%0.07814%0.144CC..EExtended strand (participates in β ladder)trans-74.7129174.430-30.6000109.4L271 R604L271-P537 WeakPolarHBondContact O-CD 3.37Å; P537-R604 PolarHBondContact O-NH1 3.46Å
538M97.4Very high98Very high16 Ų1633 Ų338%0.07916%0.159CC..EExtended strand (participates in β ladder)trans-120.8-8.3-169.2-70.4-54.5-60.500113.9I371 S375 I378 V536 V579 V581 L600 R604I371-M538 HydrophobicContact CG2-CB 3.65Å; S375-M538 WeakPolarHBondContact OG-CG 3.45Å; I378-M538 HydrophobicContact CD1-CE 3.77Å; V536-M538 HydrophobicContact CG1-CG 4.13Å; V536-M538 HydrophobicContact CG1-SD 4.1Å; V536-M538 HydrophobicContact CG2-SD 3.9Å; M538-V579 PolarHBondContact N-O 3.39Å; M538-V581 HydrophobicContact CG-CG2 4Å; M538-L600 HydrophobicContact CE-CB 4.02Å; M538-L600 HydrophobicContact CE-CD2 4Å; M538-L600 HydrophobicContact SD-CB 3.73Å; M538-R604 HydrophobicContact CE-CB 4.09Å
539G96.5Very high98.1Very high13 Ų1333 Ų3313%0.13416%0.16CC..EExtended strand (participates in β ladder)trans171.9-162.6172.900000111.5V579G539-V579 PolarHBondContact N-O 2.79Å; G539-V579 PolarHBondContact O-N 3.33Å
540Y98Very high98.2Very high96 Ų9634.9 Ų34.938%0.37617%0.17SC..EExtended strand (participates in β ladder)trans-125.4157.7-178.1-58.1-83.9000110.6R370 N542 G576 L577 P578 L606R370-Y540 PolarHBondContact NH2-O 2.96Å; Y540-N542 PolarHBondContact O-N 3.16Å; Y540-G576 VanDerWaalsContact CD1-O 3.26Å; Y540-G576 WeakPolarHBondContact CD1-O 3.24Å; Y540-L577 VanDerWaalsContact CA-O 3.3Å; Y540-L577 WeakPolarHBondContact CA-O 3.41Å; Y540-P578 HydrophobicContact CD1-CB 4.32Å; Y540-P578 HydrophobicContact CE1-CB 4.23Å; Y540-L606 HydrophobicContact CE2-CD2 4.08Å
541V98.6Very high98.3Very high5 Ų537.4 Ų37.43%0.0319%0.186CC..  trans-64.5127.6167.9-176.80000108.9P505 D545 V546 S574 G576 L577 V579P505-V541 HydrophobicContact CB-CG2 4Å; P505-V541 HydrophobicContact CG-CG2 3.74Å; V541-D545 HydrophobicContact CG1-CB 3.98Å; V541-V546 HydrophobicContact CG1-CG2 3.77Å; V541-S574 WeakPolarHBondContact CB-O 3.4Å; V541-S574 WeakPolarHBondContact CG2-O 3.4Å; V541-G576 PolarHBondContact O-N 3.19Å; V541-L577 HydrophobicContact CG2-CB 4.38Å; V541-L577 PolarHBondContact N-O 3.47Å; V541-V579 HydrophobicContact CG2-CG2 3.6Å
542N98.2Very high98.3Very high56 Ų5638.5 Ų38.530%0.29919%0.193SC..  trans-104.4171.2174.371.431.4000111.5Y540 E544 D545 V546Y540-N542 PolarHBondContact O-N 3.16Å; N542-E544 VanDerWaalsContact C-N 3.29Å; N542-E544 PolarHBondContact O-N 3.25Å; N542-E544 WeakPolarHBondContact OD1-CA 3.42Å; N542-E544 WeakPolarHBondContact OD1-CB 3.22Å; N542-E544 PolarHBondContact OD1-N 2.7Å; N542-D545 PolarHBondContact N-OD2 3.01Å; N542-D545 WeakPolarHBondContact O-CB 3.49Å; N542-D545 PolarHBondContact O-N 2.79Å; N542-D545 PolarHBondContact OD1-N 3.17Å; N542-D545 PolarHBondContact OD1-OD2 3.22Å; N542-V546 PolarHBondContact O-N 3.04Å
543K98.3Very high98.2Very high133 Ų13338.5 Ų38.558%0.57819%0.193SC*.Hα-helixtrans-59-36.4-179.8-170.8175.1-176.9175.90113.9V546 Q547K543-V546 PolarHBondContact O-N 3.48Å; K543-Q547 WeakPolarHBondContact O-CG 3.35Å; K543-Q547 PolarHBondContact O-N 2.89Å
544E98.5Very high98.2Very high119 Ų11941.9 Ų41.956%0.55621%0.209SC*.Hα-helixtrans-66.7-39.7178.7-172.1-176.5169.700111.1N542 V546 Q547 N548N542-E544 VanDerWaalsContact C-N 3.29Å; N542-E544 PolarHBondContact O-N 3.25Å; N542-E544 WeakPolarHBondContact OD1-CA 3.42Å; N542-E544 WeakPolarHBondContact OD1-CB 3.22Å; N542-E544 PolarHBondContact OD1-N 2.7Å; E544-V546 VanDerWaalsContact C-N 3.31Å; E544-V546 PolarHBondContact O-N 2.71Å; E544-Q547 PolarHBondContact O-N 3.03Å; E544-N548 WeakPolarHBondContact O-CB 3.49Å; E544-N548 VanDerWaalsContact O-CG 3.27Å; E544-N548 PolarHBondContact O-N 3.35Å; E544-N548 PolarHBondContact O-ND2 3.33Å
545D98.6Very high98.1Very high6 Ų646.5 Ų46.53%0.03223%0.23CC..Hα-helixtrans-59.3-43.4175.1-60.8-44.3000111.6S367 R370 V541 N542 N548 S549S367-D545 VanDerWaalsContact CA-CG 3.49Å; S367-D545 WeakPolarHBondContact CA-OD1 3.26Å; S367-D545 WeakPolarHBondContact CB-OD2 3.37Å; R370-D545 IonicContact CZ-OD1 3.65Å; R370-D545 IonicContact CZ-OD2 2.67Å; R370-D545 IonicContact NE-OD1 3.63Å; R370-D545 PolarHBondContact NE-OD1 3Å; R370-D545 IonicContact NE-OD2 2.88Å; R370-D545 PolarHBondContact NE-OD2 3.31Å; R370-D545 IonicContact NH2-OD1 3.95Å; R370-D545 IonicContact NH2-OD2 3.86Å; R370-D545 PolarHBondContact NH2-OD2 3.13Å; V541-D545 HydrophobicContact CG1-CB 3.98Å; N542-D545 PolarHBondContact N-OD2 3.01Å; N542-D545 WeakPolarHBondContact O-CB 3.49Å; N542-D545 PolarHBondContact O-N 2.79Å; N542-D545 PolarHBondContact OD1-N 3.17Å; N542-D545 PolarHBondContact OD1-OD2 3.22Å; D545-N548 PolarHBondContact O-N 3.24Å; D545-S549 WeakPolarHBondContact O-CB 3.48Å; D545-S549 PolarHBondContact O-N 3.15Å
546V98.7Very high97.9Very high15 Ų1548.9 Ų48.99%0.09124%0.239CC..Hα-helixtrans-64.4-45178.3178.30000110.5V541 N542 K543 E544 S549 N550 E575V541-V546 HydrophobicContact CG1-CG2 3.77Å; N542-V546 PolarHBondContact O-N 3.04Å; K543-V546 PolarHBondContact O-N 3.48Å; E544-V546 VanDerWaalsContact C-N 3.31Å; E544-V546 PolarHBondContact O-N 2.71Å; V546-S549 PolarHBondContact O-N 3.11Å; V546-N550 PolarHBondContact O-N 2.87Å; V546-N550 PolarHBondContact O-ND2 2.82Å; V546-E575 HydrophobicContact CG2-CB 4.22Å
547Q98.5Very high97.7Very high104 Ų10453.8 Ų53.849%0.48626%0.261SS..Hα-helixtrans-60.4-48.8176.4-72.7173.9-10.500111.6K543 E544 S549 N550 V551K543-Q547 WeakPolarHBondContact O-CG 3.35Å; K543-Q547 PolarHBondContact O-N 2.89Å; E544-Q547 PolarHBondContact O-N 3.03Å; Q547-S549 VanDerWaalsContact C-N 3.3Å; Q547-S549 PolarHBondContact O-N 3.48Å; Q547-N550 WeakPolarHBondContact O-CB 3.4Å; Q547-N550 PolarHBondContact O-N 3.48Å; Q547-N550 VanDerWaalsContact O-N 3.15Å; Q547-V551 WeakPolarHBondContact O-CG2 3.3Å; Q547-V551 PolarHBondContact O-N 3.22Å
548N98.6Very high97.6Very high69 Ų6961.5 Ų61.537%0.36929%0.293SS..Hα-helixtrans-61.9-38.3177.7-72.5-24.6000111.8P366 E544 D545 N550 V551 L552P366-N548 HydrophobicContact CB-CB 4.02Å; P366-N548 HydrophobicContact CG-CB 3.88Å; E544-N548 WeakPolarHBondContact O-CB 3.49Å; E544-N548 VanDerWaalsContact O-CG 3.27Å; E544-N548 PolarHBondContact O-N 3.35Å; E544-N548 PolarHBondContact O-ND2 3.33Å; D545-N548 PolarHBondContact O-N 3.24Å; N548-N550 VanDerWaalsContact C-N 3.34Å; N548-N550 PolarHBondContact O-N 3Å; N548-V551 PolarHBondContact O-N 3.48Å; N548-L552 WeakPolarHBondContact O-CG 3.39Å; N548-L552 PolarHBondContact O-N 2.68Å; N548-L552 VanDerWaalsContact O-N 3.11Å
549S98.5Very high97.4Very high1 Ų166.1 Ų66.11%0.00732%0.322CS..Hα-helixtrans-63.4-41.2175.5-168.20000111.6D545 V546 Q547 L552 A553 F568 Q571D545-S549 WeakPolarHBondContact O-CB 3.48Å; D545-S549 PolarHBondContact O-N 3.15Å; V546-S549 PolarHBondContact O-N 3.11Å; Q547-S549 VanDerWaalsContact C-N 3.3Å; Q547-S549 PolarHBondContact O-N 3.48Å; S549-L552 PolarHBondContact O-N 3.44Å; S549-A553 WeakPolarHBondContact O-CB 3.4Å; S549-A553 PolarHBondContact O-N 3.13Å; S549-F568 WeakPolarHBondContact OG-CA 3.4Å; S549-F568 PolarHBondContact OG-O 3Å; S549-Q571 WeakPolarHBondContact OG-CB 3.41Å; S549-Q571 VanDerWaalsContact OG-CG 3.22Å; S549-Q571 WeakPolarHBondContact OG-CG 3.23Å
550N98.2Very high97Very high43 Ų4367.7 Ų67.723%0.2334%0.338CS..Hα-helixtrans-65.1-40.3177.7-78-26.5000113V546 Q547 N548 A553 E554 E572V546-N550 PolarHBondContact O-N 2.87Å; V546-N550 PolarHBondContact O-ND2 2.82Å; Q547-N550 WeakPolarHBondContact O-CB 3.4Å; Q547-N550 PolarHBondContact O-N 3.48Å; Q547-N550 VanDerWaalsContact O-N 3.15Å; N548-N550 VanDerWaalsContact C-N 3.34Å; N548-N550 PolarHBondContact O-N 3Å; N550-A553 WeakPolarHBondContact O-CB 3.37Å; N550-A553 PolarHBondContact O-N 2.94Å; N550-E554 PolarHBondContact O-N 3.34Å; N550-E554 VanDerWaalsContact O-N 3.16Å; N550-E572 WeakPolarHBondContact OD1-CG 3.29Å; N550-E572 PolarHBondContact OD1-OE1 3.32Å
551V98.4Very high96.7Very high84 Ų8464.7 Ų64.751%0.50933%0.329SS..Hα-helixtrans-60-50.7174.4176.60000110.2Q547 N548 A553 E554 E555Q547-V551 WeakPolarHBondContact O-CG2 3.3Å; Q547-V551 PolarHBondContact O-N 3.22Å; N548-V551 PolarHBondContact O-N 3.48Å; V551-A553 VanDerWaalsContact C-N 3.3Å; V551-A553 PolarHBondContact O-N 3.42Å; V551-E554 PolarHBondContact O-N 3.42Å; V551-E555 PolarHBondContact O-N 2.78Å
552L98.1Very high96.4Very high36 Ų3671.3 Ų71.319%0.18835%0.353CS..Hα-helixtrans-62.8-35.4178.5-70.9172.5000112.5P366 N548 S549 E554 E555 Y556 F568P366-L552 HydrophobicContact CG-CD1 3.86Å; N548-L552 WeakPolarHBondContact O-CG 3.39Å; N548-L552 PolarHBondContact O-N 2.68Å; N548-L552 VanDerWaalsContact O-N 3.11Å; S549-L552 PolarHBondContact O-N 3.44Å; L552-E554 PolarHBondContact O-N 3.32Å; L552-E555 PolarHBondContact O-N 3.2Å; L552-Y556 HydrophobicContact CB-CE2 4.27Å; L552-Y556 WeakPolarHBondContact O-CD2 3.28Å; L552-Y556 PolarHBondContact O-N 2.95Å; L552-F568 HydrophobicContact CB-CD1 3.65Å; L552-F568 HydrophobicContact CB-CE1 3.88Å; L552-F568 HydrophobicContact CD1-CD1 4.16Å; L552-F568 HydrophobicContact CD1-CE1 3.64Å; L552-F568 HydrophobicContact CG-CE1 4.42Å
553A97.7Very high96.1Very high1 Ų168.7 Ų68.71%0.00834%0.339CS..Hα-helixtrans-58.7-50174.900000110.6S549 N550 V551 E555 Y556 K557 Y565 F568S549-A553 WeakPolarHBondContact O-CB 3.4Å; S549-A553 PolarHBondContact O-N 3.13Å; N550-A553 WeakPolarHBondContact O-CB 3.37Å; N550-A553 PolarHBondContact O-N 2.94Å; V551-A553 VanDerWaalsContact C-N 3.3Å; V551-A553 PolarHBondContact O-N 3.42Å; A553-E555 VanDerWaalsContact C-N 3.31Å; A553-E555 PolarHBondContact O-N 2.9Å; A553-Y556 PolarHBondContact O-N 3.42Å; A553-K557 PolarHBondContact O-N 2.94Å; A553-Y565 HydrophobicContact CB-CD2 3.93Å; A553-Y565 HydrophobicContact CB-CE2 4.31Å; A553-Y565 VanDerWaalsContact O-CD2 3.29Å; A553-Y565 WeakPolarHBondContact O-CD2 3.27Å; A553-F568 HydrophobicContact CB-CB 3.73Å
554E97.8Very high96Very high71 Ų7162.9 Ų62.933%0.33231%0.314SS..Hα-helixtrans-66.3-31.7179.1-67.8-59.2131.500112.4N550 V551 L552 K557 K558 Y565N550-E554 PolarHBondContact O-N 3.34Å; N550-E554 VanDerWaalsContact O-N 3.16Å; V551-E554 PolarHBondContact O-N 3.42Å; L552-E554 PolarHBondContact O-N 3.32Å; E554-K557 PolarHBondContact O-N 3.04Å; E554-K557 IonicContact OE1-NZ 2.99Å; E554-K557 WeakPolarHBondContact OE2-CD 3.33Å; E554-K557 IonicContact OE2-NZ 3.69Å; E554-K557 PolarHBondContact OE2-NZ 2.94Å; E554-K558 VanDerWaalsContact O-CG 3.31Å; E554-K558 WeakPolarHBondContact O-CG 3.31Å; E554-K558 PolarHBondContact O-N 3.47Å; E554-Y565 WeakPolarHBondContact OE1-CE2 3.41Å
555E97.3Very high95.9Very high97 Ų9759.7 Ų59.745%0.45330%0.297SS..Hα-helixtrans-63-46.7169.8-70-179.6-179.700112.2V551 L552 A553 K557 K558 V559V551-E555 PolarHBondContact O-N 2.78Å; L552-E555 PolarHBondContact O-N 3.2Å; A553-E555 VanDerWaalsContact C-N 3.31Å; A553-E555 PolarHBondContact O-N 2.9Å; E555-K557 VanDerWaalsContact C-N 3.28Å; E555-K557 PolarHBondContact O-N 3.25Å; E555-K558 WeakPolarHBondContact O-CB 3.21Å; E555-K558 PolarHBondContact O-N 3.4Å; E555-K558 VanDerWaalsContact O-N 3.14Å; E555-V559 PolarHBondContact O-N 3.44Å
556Y94.9Very high95.8Very high49 Ų4961.3 Ų61.319%0.19231%0.306CS..Hα-helixtrans-61.9-37176.1-72.9-50000112.5L552 A553 V559 G560 N561 L564 F568L552-Y556 HydrophobicContact CB-CE2 4.27Å; L552-Y556 WeakPolarHBondContact O-CD2 3.28Å; L552-Y556 PolarHBondContact O-N 2.95Å; A553-Y556 PolarHBondContact O-N 3.42Å; Y556-V559 WeakPolarHBondContact O-CG2 3.34Å; Y556-V559 PolarHBondContact O-N 3.45Å; Y556-G560 PolarHBondContact O-N 2.64Å; Y556-N561 HydrophobicContact CD1-CB 4.28Å; Y556-N561 WeakPolarHBondContact O-CA 3.34Å; Y556-N561 PolarHBondContact O-N 2.81Å; Y556-L564 HydrophobicContact CD1-CB 3.96Å; Y556-L564 HydrophobicContact CD1-CD1 3.86Å; Y556-L564 HydrophobicContact CD2-CB 3.53Å; Y556-L564 HydrophobicContact CD2-CD1 4.4Å; Y556-L564 HydrophobicContact CE1-CB 4.29Å; Y556-L564 HydrophobicContact CE1-CD1 3.48Å; Y556-L564 VanDerWaalsContact CE1-CD1 3.48Å; Y556-L564 HydrophobicContact CE2-CB 3.87Å; Y556-L564 HydrophobicContact CE2-CD1 4.05Å; Y556-L564 HydrophobicContact CG-CB 3.59Å; Y556-L564 HydrophobicContact CG-CD1 4.33Å; Y556-F568 HydrophobicContact CD2-CD2 4.15Å; Y556-F568 HydrophobicContact CD2-CE2 4.41Å; Y556-F568 HydrophobicContact CD2-CG 4.26Å; Y556-F568 HydrophobicContact CE2-CD1 4.19Å; Y556-F568 AromaticContact CE2-CD2 3.91Å; Y556-F568 HydrophobicContact CE2-CD2 3.91Å; Y556-F568 HydrophobicContact CE2-CE1 4Å; Y556-F568 AromaticContact CE2-CE2 3.72Å; Y556-F568 HydrophobicContact CE2-CE2 3.72Å; Y556-F568 HydrophobicContact CE2-CG 4.14Å; Y556-F568 AromaticContact CE2-CZ 3.77Å; Y556-F568 HydrophobicContact CE2-CZ 3.77Å
557K94.2Very high95.7Very high104 Ų10460.7 Ų60.745%0.45230%0.302SS..Hα-helixtrans-63.6-42.2173.9-176.2-179.1168.8-167.70112.1A553 E554 E555 V559 G560 Y565A553-K557 PolarHBondContact O-N 2.94Å; E554-K557 PolarHBondContact O-N 3.04Å; E554-K557 IonicContact OE1-NZ 2.99Å; E554-K557 WeakPolarHBondContact OE2-CD 3.33Å; E554-K557 IonicContact OE2-NZ 3.69Å; E554-K557 PolarHBondContact OE2-NZ 2.94Å; E555-K557 VanDerWaalsContact C-N 3.28Å; E555-K557 PolarHBondContact O-N 3.25Å; K557-V559 VanDerWaalsContact C-N 3.32Å; K557-V559 PolarHBondContact O-N 3.19Å; K557-G560 PolarHBondContact O-N 2.96Å; K557-G560 VanDerWaalsContact O-N 3.07Å; K557-Y565 HydrophobicContact CB-CD2 3.78Å; K557-Y565 HydrophobicContact CB-CE2 4.27Å; K557-Y565 HydrophobicContact CB-CG 4.11Å; K557-Y565 HydrophobicContact CD-CD2 4.15Å; K557-Y565 HydrophobicContact CD-CE2 3.81Å; K557-Y565 HydrophobicContact CG-CD2 4.4Å
558K95.1Very high95.7Very high174 Ų17455.7 Ų55.776%0.75728%0.279SS*.Hα-helixtrans-60.7-39.3177.5-73.4169.6-173174.50112.4E554 E555 G560E554-K558 VanDerWaalsContact O-CG 3.31Å; E554-K558 WeakPolarHBondContact O-CG 3.31Å; E554-K558 PolarHBondContact O-N 3.47Å; E555-K558 WeakPolarHBondContact O-CB 3.21Å; E555-K558 PolarHBondContact O-N 3.4Å; E555-K558 VanDerWaalsContact O-N 3.14Å; K558-G560 VanDerWaalsContact C-N 3.26Å; K558-G560 PolarHBondContact O-N 3.15Å
559V91.7Very high95.6Very high113 Ų11355.4 Ų55.469%0.68527%0.274SS*.THydrogen-bonded Turntrans-85.66.9176.7-56.10000113.5E555 Y556 K557 N561E555-V559 PolarHBondContact O-N 3.44Å; Y556-V559 WeakPolarHBondContact O-CG2 3.34Å; Y556-V559 PolarHBondContact O-N 3.45Å; K557-V559 VanDerWaalsContact C-N 3.32Å; K557-V559 PolarHBondContact O-N 3.19Å; V559-N561 VanDerWaalsContact C-N 3.32Å; V559-N561 HydrophobicContact CG2-CB 4.2Å; V559-N561 PolarHBondContact O-N 3.46Å
560G88.9Confident95.6Very high45 Ų4557.1 Ų57.146%0.46428%0.281SS..THydrogen-bonded Turntrans77.77.5176.900000115.4Y556 K557 K558 R562Y556-G560 PolarHBondContact O-N 2.64Å; K557-G560 PolarHBondContact O-N 2.96Å; K557-G560 VanDerWaalsContact O-N 3.07Å; K558-G560 VanDerWaalsContact C-N 3.26Å; K558-G560 PolarHBondContact O-N 3.15Å; G560-R562 VanDerWaalsContact C-N 3.33Å; G560-R562 PolarHBondContact O-N 3.34Å
561N90.8Very high95.6Very high34 Ų3455.3 Ų55.318%0.18227%0.271CS..  trans-80.378.8176.3-168.9-25.5000110.8Y556 V559 Y563 L564 Y565Y556-N561 HydrophobicContact CD1-CB 4.28Å; Y556-N561 WeakPolarHBondContact O-CA 3.34Å; Y556-N561 PolarHBondContact O-N 2.81Å; V559-N561 VanDerWaalsContact C-N 3.32Å; V559-N561 HydrophobicContact CG2-CB 4.2Å; V559-N561 PolarHBondContact O-N 3.46Å; N561-Y563 PolarHBondContact O-N 3.1Å; N561-Y563 PolarHBondContact OD1-N 3.33Å; N561-L564 VanDerWaalsContact ND2-CD1 3.33Å; N561-L564 WeakPolarHBondContact ND2-CD1 3.36Å; N561-L564 PolarHBondContact O-N 3.19Å; N561-L564 PolarHBondContact OD1-N 3.11Å; N561-Y565 WeakPolarHBondContact O-CB 3.37Å; N561-Y565 PolarHBondContact O-N 3.19Å
562R92.7Very high95.6Very high144 Ų14455.6 Ų55.654%0.54327%0.267SS..Hα-helixtrans-65.3-26.7-178.6-60.5-174.5177.9-179.7-3.4112.9I450 F451 G560 N566I450-R562 WeakPolarHBondContact O-CD 3.43Å; F451-R562 HydrophobicContact CD1-CB 4.13Å; F451-R562 PolarHBondContact O-N 3.22Å; G560-R562 VanDerWaalsContact C-N 3.33Å; G560-R562 PolarHBondContact O-N 3.34Å; R562-N566 PolarHBondContact O-N 3.14Å; R562-N566 VanDerWaalsContact O-N 3.11Å; R562-N566 PolarHBondContact O-ND2 3.38Å
563Y93.5Very high95.6Very high0 Ų057.8 Ų57.80%028%0.282CS..Hα-helixtrans-63.8-57.2177.4-174.4-78.8000110.7I362 F451 P454 A455 M514 F515 P518 N561 Y565 N566 V567I362-Y563 HydrophobicContact CB-CE1 4.16Å; I362-Y563 HydrophobicContact CD1-CE1 3.9Å; I362-Y563 HydrophobicContact CG1-CE1 4.08Å; F451-Y563 VanDerWaalsContact O-CB 3.23Å; F451-Y563 WeakPolarHBondContact O-CB 3.46Å; F451-Y563 PolarHBondContact O-N 3.01Å; P454-Y563 HydrophobicContact CB-CD1 3.65Å; P454-Y563 HydrophobicContact CB-CD2 4.32Å; P454-Y563 HydrophobicContact CB-CE1 3.58Å; P454-Y563 HydrophobicContact CB-CE2 4.2Å; P454-Y563 HydrophobicContact CB-CG 4.04Å; P454-Y563 HydrophobicContact CG-CD1 4.13Å; P454-Y563 HydrophobicContact CG-CE1 4.43Å; A455-Y563 HydrophobicContact CB-CD2 3.68Å; A455-Y563 HydrophobicContact CB-CE2 4.18Å; M514-Y563 WeakPolarHBondContact O-CE2 3.43Å; F515-Y563 AromaticContact CD1-CD2 3.58Å; F515-Y563 HydrophobicContact CD1-CD2 3.58Å; F515-Y563 AromaticContact CD1-CE2 3.96Å; F515-Y563 HydrophobicContact CD1-CE2 3.96Å; F515-Y563 HydrophobicContact CD1-CG 4.03Å; F515-Y563 HydrophobicContact CE1-CD2 4.06Å; F515-Y563 HydrophobicContact CE1-CG 4.48Å; F515-Y563 PolarHBondContact O-OH 2.94Å; P518-Y563 WeakPolarHBondContact CB-OH 3.47Å; P518-Y563 WeakPolarHBondContact CD-OH 3.21Å; P518-Y563 HydrophobicContact CG-CE2 4.37Å; P518-Y563 VanDerWaalsContact CG-OH 3.32Å; P518-Y563 WeakPolarHBondContact CG-OH 3.14Å; N561-Y563 PolarHBondContact O-N 3.1Å; N561-Y563 PolarHBondContact OD1-N 3.33Å; Y563-Y565 VanDerWaalsContact C-N 3.3Å; Y563-Y565 PolarHBondContact O-N 3.29Å; Y563-N566 PolarHBondContact O-N 3.42Å; Y563-V567 HydrophobicContact CD1-CG2 3.99Å; Y563-V567 HydrophobicContact CE1-CG2 3.67Å; Y563-V567 WeakPolarHBondContact O-CG2 3.42Å; Y563-V567 PolarHBondContact O-N 3.13Å; Y563-V567 VanDerWaalsContact O-N 3.1Å
564L94.8Very high95.6Very high12 Ų1257.8 Ų57.86%0.06328%0.282CS..Hα-helixtrans-67.7-33.2179.6-66.3-177.3000111.6I362 T363 Y556 N561 N566 V567 F568I362-L564 HydrophobicContact CG1-CD2 4.13Å; T363-L564 HydrophobicContact CG2-CD1 3.97Å; T363-L564 HydrophobicContact CG2-CD2 3.97Å; Y556-L564 HydrophobicContact CD1-CB 3.96Å; Y556-L564 HydrophobicContact CD1-CD1 3.86Å; Y556-L564 HydrophobicContact CD2-CB 3.53Å; Y556-L564 HydrophobicContact CD2-CD1 4.4Å; Y556-L564 HydrophobicContact CE1-CB 4.29Å; Y556-L564 HydrophobicContact CE1-CD1 3.48Å; Y556-L564 VanDerWaalsContact CE1-CD1 3.48Å; Y556-L564 HydrophobicContact CE2-CB 3.87Å; Y556-L564 HydrophobicContact CE2-CD1 4.05Å; Y556-L564 HydrophobicContact CG-CB 3.59Å; Y556-L564 HydrophobicContact CG-CD1 4.33Å; N561-L564 VanDerWaalsContact ND2-CD1 3.33Å; N561-L564 WeakPolarHBondContact ND2-CD1 3.36Å; N561-L564 PolarHBondContact O-N 3.19Å; N561-L564 PolarHBondContact OD1-N 3.11Å; L564-N566 VanDerWaalsContact C-N 3.34Å; L564-N566 PolarHBondContact O-N 3.44Å; L564-V567 PolarHBondContact O-N 3.16Å; L564-F568 HydrophobicContact CB-CD2 4.36Å; L564-F568 HydrophobicContact CD2-CE2 4.27Å; L564-F568 WeakPolarHBondContact O-CB 3.15Å; L564-F568 WeakPolarHBondContact O-CD2 3.46Å; L564-F568 PolarHBondContact O-N 3.36Å
565Y96.1Very high95.6Very high52 Ų5260.1 Ų60.120%0.20429%0.292CS..Hα-helixtrans-51.3-52.4169.1169.3-111.2000112A553 E554 K557 N561 Y563 F568 K569A553-Y565 HydrophobicContact CB-CD2 3.93Å; A553-Y565 HydrophobicContact CB-CE2 4.31Å; A553-Y565 VanDerWaalsContact O-CD2 3.29Å; A553-Y565 WeakPolarHBondContact O-CD2 3.27Å; E554-Y565 WeakPolarHBondContact OE1-CE2 3.41Å; K557-Y565 HydrophobicContact CB-CD2 3.78Å; K557-Y565 HydrophobicContact CB-CE2 4.27Å; K557-Y565 HydrophobicContact CB-CG 4.11Å; K557-Y565 HydrophobicContact CD-CD2 4.15Å; K557-Y565 HydrophobicContact CD-CE2 3.81Å; K557-Y565 HydrophobicContact CG-CD2 4.4Å; N561-Y565 WeakPolarHBondContact O-CB 3.37Å; N561-Y565 PolarHBondContact O-N 3.19Å; Y563-Y565 VanDerWaalsContact C-N 3.3Å; Y563-Y565 PolarHBondContact O-N 3.29Å; Y565-F568 PolarHBondContact O-N 2.9Å; Y565-K569 WeakPolarHBondContact O-CB 3.37Å; Y565-K569 PolarHBondContact O-N 3.06Å
566N96.4Very high95.7Very high40 Ų4057.3 Ų57.321%0.21429%0.29CS..Hα-helixtrans-65.3-44.1-178.9-78.6-84000112F515 R562 Y563 L564 F568 K569 Y570F515-N566 HydrophobicContact CD1-CB 4.04Å; F515-N566 HydrophobicContact CD2-CB 4.02Å; F515-N566 HydrophobicContact CE1-CB 4.13Å; F515-N566 HydrophobicContact CE2-CB 4.1Å; F515-N566 HydrophobicContact CG-CB 4Å; F515-N566 HydrophobicContact CZ-CB 4.16Å; R562-N566 PolarHBondContact O-N 3.14Å; R562-N566 VanDerWaalsContact O-N 3.11Å; R562-N566 PolarHBondContact O-ND2 3.38Å; Y563-N566 PolarHBondContact O-N 3.42Å; L564-N566 VanDerWaalsContact C-N 3.34Å; L564-N566 PolarHBondContact O-N 3.44Å; N566-F568 VanDerWaalsContact C-N 3.33Å; N566-F568 PolarHBondContact O-N 2.67Å; N566-K569 PolarHBondContact O-N 3.01Å; N566-Y570 HydrophobicContact CB-CE2 4.26Å; N566-Y570 WeakPolarHBondContact O-CD2 3.44Å; N566-Y570 VanDerWaalsContact O-CG 3.22Å; N566-Y570 PolarHBondContact O-N 3.24Å
567V97Very high95.8Very high1 Ų155.1 Ų55.11%0.00628%0.281CS..Hα-helixtrans-55.8-48.4177.7168.30000111.6I362 V365 F504 F515 Y563 L564 Y570 Q571I362-V567 HydrophobicContact CD1-CB 4.31Å; I362-V567 HydrophobicContact CD1-CG1 3.74Å; I362-V567 HydrophobicContact CD1-CG2 3.61Å; I362-V567 HydrophobicContact CG1-CG1 4.27Å; I362-V567 HydrophobicContact CG1-CG2 4.39Å; V365-V567 HydrophobicContact CG1-CG1 4.35Å; F504-V567 HydrophobicContact CD1-CG1 3.86Å; F504-V567 HydrophobicContact CE1-CG1 4.16Å; F515-V567 HydrophobicContact CB-CG2 4.32Å; F515-V567 WeakPolarHBondContact O-CG2 3.49Å; Y563-V567 HydrophobicContact CD1-CG2 3.99Å; Y563-V567 HydrophobicContact CE1-CG2 3.67Å; Y563-V567 WeakPolarHBondContact O-CG2 3.42Å; Y563-V567 PolarHBondContact O-N 3.13Å; Y563-V567 VanDerWaalsContact O-N 3.1Å; L564-V567 PolarHBondContact O-N 3.16Å; V567-Y570 PolarHBondContact O-N 2.86Å; V567-Q571 PolarHBondContact O-NE2 2.93Å
568F98.3Very high96Very high0 Ų050.2 Ų50.20%026%0.26CS..Hα-helixtrans-75-31.9-177.3-80-112.4000111.5T363 V365 S549 L552 A553 Y556 L564 Y565 N566 Q571T363-F568 HydrophobicContact CG2-CE2 3.81Å; T363-F568 HydrophobicContact CG2-CZ 3.81Å; V365-F568 HydrophobicContact CB-CE1 4.44Å; V365-F568 HydrophobicContact CG1-CD1 4.41Å; V365-F568 HydrophobicContact CG1-CD2 4.32Å; V365-F568 HydrophobicContact CG1-CE1 4.28Å; V365-F568 HydrophobicContact CG1-CE2 4.18Å; V365-F568 HydrophobicContact CG1-CG 4.44Å; V365-F568 HydrophobicContact CG1-CZ 4.16Å; S549-F568 WeakPolarHBondContact OG-CA 3.4Å; S549-F568 PolarHBondContact OG-O 3Å; L552-F568 HydrophobicContact CB-CD1 3.65Å; L552-F568 HydrophobicContact CB-CE1 3.88Å; L552-F568 HydrophobicContact CD1-CD1 4.16Å; L552-F568 HydrophobicContact CD1-CE1 3.64Å; L552-F568 HydrophobicContact CG-CE1 4.42Å; A553-F568 HydrophobicContact CB-CB 3.73Å; Y556-F568 HydrophobicContact CD2-CD2 4.15Å; Y556-F568 HydrophobicContact CD2-CE2 4.41Å; Y556-F568 HydrophobicContact CD2-CG 4.26Å; Y556-F568 HydrophobicContact CE2-CD1 4.19Å; Y556-F568 AromaticContact CE2-CD2 3.91Å; Y556-F568 HydrophobicContact CE2-CD2 3.91Å; Y556-F568 HydrophobicContact CE2-CE1 4Å; Y556-F568 AromaticContact CE2-CE2 3.72Å; Y556-F568 HydrophobicContact CE2-CE2 3.72Å; Y556-F568 HydrophobicContact CE2-CG 4.14Å; Y556-F568 AromaticContact CE2-CZ 3.77Å; Y556-F568 HydrophobicContact CE2-CZ 3.77Å; L564-F568 HydrophobicContact CB-CD2 4.36Å; L564-F568 HydrophobicContact CD2-CE2 4.27Å; L564-F568 WeakPolarHBondContact O-CB 3.15Å; L564-F568 WeakPolarHBondContact O-CD2 3.46Å; L564-F568 PolarHBondContact O-N 3.36Å; Y565-F568 PolarHBondContact O-N 2.9Å; N566-F568 VanDerWaalsContact C-N 3.33Å; N566-F568 PolarHBondContact O-N 2.67Å; F568-Q571 WeakPolarHBondContact O-CB 3.37Å; F568-Q571 WeakPolarHBondContact O-CG 3.44Å; F568-Q571 PolarHBondContact O-N 3.09Å
569K97.8Very high96.2Very high63 Ų6342.1 Ų42.127%0.27423%0.225SC..Hα-helixtrans-67.3-33.6173.6-172.261.8168.3179.30112.6Y565 N566 Q571 E572Y565-K569 WeakPolarHBondContact O-CB 3.37Å; Y565-K569 PolarHBondContact O-N 3.06Å; N566-K569 PolarHBondContact O-N 3.01Å; K569-Q571 PolarHBondContact O-N 2.92Å; K569-E572 HydrophobicContact CD-CG 4.19Å; K569-E572 WeakPolarHBondContact CD-OE2 3.43Å; K569-E572 VanDerWaalsContact CE-CD 3.43Å; K569-E572 WeakPolarHBondContact CE-OE1 3.2Å; K569-E572 WeakPolarHBondContact CE-OE2 3.38Å; K569-E572 IonicContact NZ-OE1 3.92Å; K569-E572 PolarHBondContact NZ-OE1 3.31Å; K569-E572 IonicContact NZ-OE2 2.63Å; K569-E572 PolarHBondContact NZ-OE2 2.9Å; K569-E572 VanDerWaalsContact NZ-OE2 3.13Å; K569-E572 WeakPolarHBondContact O-CG 3.08Å; K569-E572 PolarHBondContact O-N 3.27Å; K569-E572 VanDerWaalsContact O-N 3.16Å
570Y97.8Very high96.5Very high37 Ų3736.9 Ų36.915%0.14520%0.195CC..G310 helixtrans-62.2-12.9174.4-67.2-39.3000113.9P508 A511 K512 F515 N566 V567 E572P508-Y570 HydrophobicContact CG-CD1 3.95Å; P508-Y570 HydrophobicContact CG-CG 4.21Å; A511-Y570 HydrophobicContact CB-CD1 4.34Å; A511-Y570 HydrophobicContact CB-CD2 3.96Å; A511-Y570 HydrophobicContact CB-CE1 4.09Å; A511-Y570 HydrophobicContact CB-CE2 3.67Å; A511-Y570 HydrophobicContact CB-CG 4.3Å; K512-Y570 PolarHBondContact N-OH 3.06Å; F515-Y570 HydrophobicContact CB-CE2 3.99Å; F515-Y570 HydrophobicContact CD2-CE2 4.2Å; F515-Y570 HydrophobicContact CG-CE2 4.42Å; N566-Y570 HydrophobicContact CB-CE2 4.26Å; N566-Y570 WeakPolarHBondContact O-CD2 3.44Å; N566-Y570 VanDerWaalsContact O-CG 3.22Å; N566-Y570 PolarHBondContact O-N 3.24Å; V567-Y570 PolarHBondContact O-N 2.86Å; Y570-E572 PolarHBondContact O-N 3.13Å
571Q98.3Very high96.9Very high4 Ų434.8 Ų34.82%0.01917%0.173CC..G310 helixtrans-76.5-9177-52.2-49.2-63.400113.2V365 S549 V567 F568 K569 T573 S574V365-Q571 HydrophobicContact CB-CG 4.28Å; V365-Q571 HydrophobicContact CG1-CG 3.95Å; V365-Q571 HydrophobicContact CG2-CG 4.44Å; S549-Q571 WeakPolarHBondContact OG-CB 3.41Å; S549-Q571 VanDerWaalsContact OG-CG 3.22Å; S549-Q571 WeakPolarHBondContact OG-CG 3.23Å; V567-Q571 PolarHBondContact O-NE2 2.93Å; F568-Q571 WeakPolarHBondContact O-CB 3.37Å; F568-Q571 WeakPolarHBondContact O-CG 3.44Å; F568-Q571 PolarHBondContact O-N 3.09Å; K569-Q571 PolarHBondContact O-N 2.92Å; Q571-T573 PolarHBondContact O-N 2.89Å; Q571-T573 VanDerWaalsContact O-N 3.14Å; Q571-S574 WeakPolarHBondContact CA-OG 3.35Å; Q571-S574 WeakPolarHBondContact O-CB 3.22Å; Q571-S574 PolarHBondContact O-N 2.88Å; Q571-S574 PolarHBondContact O-OG 2.88Å
572E98Very high97.3Very high91 Ų9133.1 Ų33.143%0.42516%0.164SC..G310 helixtrans-56.2-31.4179.3-77.8-170.5144.500113.9N550 K569 Y570N550-E572 WeakPolarHBondContact OD1-CG 3.29Å; N550-E572 PolarHBondContact OD1-OE1 3.32Å; K569-E572 HydrophobicContact CD-CG 4.19Å; K569-E572 WeakPolarHBondContact CD-OE2 3.43Å; K569-E572 VanDerWaalsContact CE-CD 3.43Å; K569-E572 WeakPolarHBondContact CE-OE1 3.2Å; K569-E572 WeakPolarHBondContact CE-OE2 3.38Å; K569-E572 IonicContact NZ-OE1 3.92Å; K569-E572 PolarHBondContact NZ-OE1 3.31Å; K569-E572 IonicContact NZ-OE2 2.63Å; K569-E572 PolarHBondContact NZ-OE2 2.9Å; K569-E572 VanDerWaalsContact NZ-OE2 3.13Å; K569-E572 WeakPolarHBondContact O-CG 3.08Å; K569-E572 PolarHBondContact O-N 3.27Å; K569-E572 VanDerWaalsContact O-N 3.16Å; Y570-E572 PolarHBondContact O-N 3.13Å
573T97.8Very high97.6Very high81 Ų8126.3 Ų26.350%0.49714%0.138SC..G310 helixtrans-101.711.4179.857.50000113.2H232 Q571H232-T573 PolarHBondContact CE1-O 2.88Å; H232-T573 PolarHBondContact CE1-OG1 2.83Å; H232-T573 PolarHBondContact NE2-O 3.36Å; H232-T573 PolarHBondContact NE2-OG1 3.12Å; Q571-T573 PolarHBondContact O-N 2.89Å; Q571-T573 VanDerWaalsContact O-N 3.14Å
574S98.4Very high97.9Very high1 Ų126.4 Ų26.41%0.00714%0.139CC..  trans-92.6-6-168.868.90000115.2V541 Q571 G576 L577V541-S574 WeakPolarHBondContact CB-O 3.4Å; V541-S574 WeakPolarHBondContact CG2-O 3.4Å; Q571-S574 WeakPolarHBondContact CA-OG 3.35Å; Q571-S574 WeakPolarHBondContact O-CB 3.22Å; Q571-S574 PolarHBondContact O-N 2.88Å; Q571-S574 PolarHBondContact O-OG 2.88Å; S574-G576 PolarHBondContact O-N 3.34Å; S574-L577 VanDerWaalsContact O-CB 3.24Å; S574-L577 WeakPolarHBondContact O-CB 3.37Å; S574-L577 VanDerWaalsContact O-CG 3.31Å; S574-L577 WeakPolarHBondContact O-CG 3.5Å; S574-L577 PolarHBondContact O-N 3.01Å
575E98.3Very high98Very high120 Ų12025.8 Ų25.856%0.56114%0.136SC*.THydrogen-bonded Turntrans-53133.4178.1-173.1172.5-170.600111.2V546 L577V546-E575 HydrophobicContact CG2-CB 4.22Å; E575-L577 VanDerWaalsContact C-N 3.26Å; E575-L577 PolarHBondContact O-N 3.49Å
576G98.1Very high98.1Very high39 Ų3926.7 Ų26.740%0.40214%0.141SC..THydrogen-bonded Turntrans80.6-6.4-177.600000115.2Y540 V541 S574Y540-G576 VanDerWaalsContact CD1-O 3.26Å; Y540-G576 WeakPolarHBondContact CD1-O 3.24Å; V541-G576 PolarHBondContact O-N 3.19Å; S574-G576 PolarHBondContact O-N 3.34Å
577L98.6Very high98.2Very high2 Ų227 Ų271%0.0114%0.144CC..  trans-73.7146174.6-64.5177.7000111.6H228 H232 P505 A506 Y540 V541 S574 E575H228-L577 HydrophobicContact CB-CD2 4.02Å; H232-L577 HydrophobicContact CB-CD1 4.42Å; H232-L577 VanDerWaalsContact CD2-CD1 3.49Å; H232-L577 WeakPolarHBondContact CD2-CD1 3.41Å; P505-L577 HydrophobicContact CB-CB 4.07Å; P505-L577 HydrophobicContact CB-CD1 4.43Å; A506-L577 HydrophobicContact CB-CD1 4.22Å; A506-L577 VanDerWaalsContact O-CD1 3.25Å; A506-L577 WeakPolarHBondContact O-CD1 3.02Å; Y540-L577 VanDerWaalsContact CA-O 3.3Å; Y540-L577 WeakPolarHBondContact CA-O 3.41Å; V541-L577 HydrophobicContact CG2-CB 4.38Å; V541-L577 PolarHBondContact N-O 3.47Å; S574-L577 VanDerWaalsContact O-CB 3.24Å; S574-L577 WeakPolarHBondContact O-CB 3.37Å; S574-L577 VanDerWaalsContact O-CG 3.31Å; S574-L577 WeakPolarHBondContact O-CG 3.5Å; S574-L577 PolarHBondContact O-N 3.01Å; E575-L577 VanDerWaalsContact C-N 3.26Å; E575-L577 PolarHBondContact O-N 3.49Å
578P98.2Very high98.2Very high2 Ų231.2 Ų31.21%0.01316%0.16CC..EExtended strand (participates in β ladder)trans-67.7145.2178.628.4-35.8000111.7F268 Y540F268-P578 WeakPolarHBondContact O-CG 3.48Å; Y540-P578 HydrophobicContact CD1-CB 4.32Å; Y540-P578 HydrophobicContact CE1-CB 4.23Å
579V98.4Very high98.1Very high3 Ų334.3 Ų34.32%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-130.5140.9173-174.50000108.1V368 I371 P505 M538 G539 V541V368-V579 HydrophobicContact CG2-CG1 3.98Å; I371-V579 HydrophobicContact CB-CB 4.41Å; I371-V579 HydrophobicContact CB-CG1 3.78Å; I371-V579 HydrophobicContact CG1-CB 3.91Å; I371-V579 HydrophobicContact CG1-CG1 3.75Å; I371-V579 HydrophobicContact CG2-CB 4.4Å; I371-V579 HydrophobicContact CG2-CG1 3.91Å; P505-V579 HydrophobicContact CB-CG2 4.26Å; M538-V579 PolarHBondContact N-O 3.39Å; G539-V579 PolarHBondContact N-O 2.79Å; G539-V579 PolarHBondContact O-N 3.33Å; V541-V579 HydrophobicContact CG2-CG2 3.6Å
580G97.8Very high98.2Very high4 Ų431.3 Ų31.34%0.04116%0.162CC..EExtended strand (participates in β ladder)trans-147.2177.3-178.800000113V536V536-G580 CarbonylContact O-C 3.43Å; V536-G580 WeakPolarHBondContact O-CA 3.48Å
581V98.7Very high98.2Very high0 Ų029.7 Ų29.70%016%0.156CC..EExtended strand (participates in β ladder)trans-117.3157.9179.2-57.10000109.7I371 V372 I498 V501 T535 V536 M538 I583 L600I371-V581 HydrophobicContact CG2-CG1 4.21Å; V372-V581 HydrophobicContact CB-CG1 4.42Å; V372-V581 HydrophobicContact CG2-CG1 3.83Å; I498-V581 HydrophobicContact CD1-CB 4.27Å; I498-V581 HydrophobicContact CD1-CG1 4.36Å; I498-V581 HydrophobicContact CD1-CG2 4Å; I498-V581 HydrophobicContact CG1-CB 4.05Å; I498-V581 HydrophobicContact CG1-CG1 4.42Å; I498-V581 HydrophobicContact CG1-CG2 4.15Å; V501-V581 WeakPolarHBondContact CG2-O 3.06Å; T535-V581 WeakPolarHBondContact CA-O 3.23Å; V536-V581 HydrophobicContact CG1-CG2 3.53Å; V536-V581 PolarHBondContact N-O 3.38Å; V536-V581 PolarHBondContact O-N 3.47Å; M538-V581 HydrophobicContact CG-CG2 4Å; V581-I583 HydrophobicContact CG2-CD1 4.47Å; V581-L600 HydrophobicContact CG2-CD1 3.79Å
582Q98.7Very high98.2Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-108.5140.6164.262.6-175.8-4200110.5C499 P500 V501 Y522 G534 T535 I584C499-Q582 PolarHBondContact N-O 3.31Å; C499-Q582 PolarHBondContact O-N 3.23Å; C499-Q582 WeakPolarHBondContact SG-CG 3.42Å; P500-Q582 PolarHBondContact O-NE2 2.85Å; V501-Q582 HydrophobicContact CG2-CB 3.94Å; V501-Q582 HydrophobicContact CG2-CG 4.49Å; Y522-Q582 PolarHBondContact O-NE2 2.99Å; G534-Q582 CarbonylContact O-C 3.57Å; G534-Q582 WeakPolarHBondContact O-CA 3.25Å; G534-Q582 WeakPolarHBondContact O-CB 3.23Å; T535-Q582 HydrophobicContact CG2-CB 4.2Å; Q582-I584 HydrophobicContact CB-CD1 4.26Å; Q582-I584 HydrophobicContact CG-CD1 3.78Å
583I98.9Very high98.3Very high1 Ų125.7 Ų25.71%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-102.9127.3170.3-55.9-51.3000108.1A496 I497 I498 A533 G534 V581 V593 V596 M597 L600A496-I583 HydrophobicContact CB-CG2 4.31Å; I497-I583 CarbonylContact O-C 3.59Å; I497-I583 WeakPolarHBondContact O-CA 3.47Å; I498-I583 HydrophobicContact CB-CD1 3.8Å; I498-I583 HydrophobicContact CD1-CD1 4.07Å; I498-I583 HydrophobicContact CG1-CD1 3.77Å; A533-I583 CarbonylContact C-O 3.49Å; A533-I583 WeakPolarHBondContact CA-O 3.45Å; G534-I583 PolarHBondContact N-O 3.11Å; G534-I583 PolarHBondContact O-N 2.88Å; V581-I583 HydrophobicContact CG2-CD1 4.47Å; I583-V593 HydrophobicContact CB-CG1 4.08Å; I583-V593 HydrophobicContact CG2-CB 4.39Å; I583-V593 HydrophobicContact CG2-CG1 4.12Å; I583-V593 HydrophobicContact CG2-CG2 4.42Å; I583-V593 WeakPolarHBondContact O-CG1 3.42Å; I583-V596 HydrophobicContact CD1-CG1 3.75Å; I583-V596 HydrophobicContact CG1-CB 4.33Å; I583-V596 HydrophobicContact CG1-CG1 3.94Å; I583-V596 HydrophobicContact CG2-CB 3.88Å; I583-V596 HydrophobicContact CG2-CG1 4.03Å; I583-V596 HydrophobicContact CG2-CG2 4.43Å; I583-M597 HydrophobicContact CB-CG 4.17Å; I583-M597 HydrophobicContact CG1-CG 3.84Å; I583-L600 HydrophobicContact CD1-CD1 3.82Å; I583-L600 HydrophobicContact CG1-CD1 4.27Å
584I98.9Very high98.3Very high1 Ų121.9 Ų21.91%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-110.5126.6180-45.3-58.7000108.5A496 I497 F526 Y531 P532 A533 Q582A496-I584 CarbonylContact C-O 3.5Å; A496-I584 WeakPolarHBondContact CA-O 3.38Å; A496-I584 WeakPolarHBondContact CB-O 3.11Å; I497-I584 HydrophobicContact CB-CB 4.11Å; I497-I584 HydrophobicContact CB-CG1 4.33Å; I497-I584 PolarHBondContact N-O 3.3Å; I497-I584 PolarHBondContact O-N 3.39Å; F526-I584 HydrophobicContact CB-CD1 4.35Å; F526-I584 HydrophobicContact CD1-CB 4.33Å; F526-I584 HydrophobicContact CD1-CD1 3.89Å; F526-I584 HydrophobicContact CD1-CG1 3.95Å; F526-I584 HydrophobicContact CD1-CG2 3.48Å; F526-I584 VanDerWaalsContact CD1-CG2 3.48Å; F526-I584 HydrophobicContact CD2-CD1 3.4Å; F526-I584 VanDerWaalsContact CD2-CD1 3.4Å; F526-I584 HydrophobicContact CD2-CG1 4.1Å; F526-I584 HydrophobicContact CE1-CB 4.17Å; F526-I584 HydrophobicContact CE1-CD1 4Å; F526-I584 HydrophobicContact CE1-CG1 3.63Å; F526-I584 HydrophobicContact CE1-CG2 3.66Å; F526-I584 HydrophobicContact CE2-CD1 3.51Å; F526-I584 HydrophobicContact CE2-CG1 3.78Å; F526-I584 HydrophobicContact CG-CD1 3.6Å; F526-I584 HydrophobicContact CG-CG1 4.17Å; F526-I584 HydrophobicContact CG-CG2 4.16Å; F526-I584 HydrophobicContact CZ-CD1 3.81Å; F526-I584 HydrophobicContact CZ-CG1 3.53Å; F526-I584 HydrophobicContact CZ-CG2 4.45Å; Y531-I584 HydrophobicContact CD1-CG2 3.75Å; Y531-I584 HydrophobicContact CG-CG2 4.22Å; P532-I584 WeakPolarHBondContact O-CA 3.37Å; A533-I584 HydrophobicContact CB-CD1 3.54Å; Q582-I584 HydrophobicContact CB-CD1 4.26Å; Q582-I584 HydrophobicContact CG-CD1 3.78Å
585G98.5Very high98.3Very high0 Ų023 Ų230%012%0.117CC..EExtended strand (participates in β ladder)trans-109.1166.2172.400000111.1Y531 P532Y531-G585 VanDerWaalsContact CB-O 3.24Å; Y531-G585 WeakPolarHBondContact CB-O 3.4Å; Y531-G585 WeakPolarHBondContact CD1-O 3.27Å; Y531-G585 VanDerWaalsContact CG-O 3.27Å; P532-G585 VanDerWaalsContact CD-O 3.26Å; P532-G585 WeakPolarHBondContact CD-O 3.48Å; P532-G585 PolarHBondContact O-N 3.48Å
586K97.9Very high98.3Very high71 Ų7117.2 Ų17.231%0.3099%0.09SC..  trans-64.3159.2167.1-67.6172.9-179170.80110.3L494 Y531 P532 W588 Q589L494-K586 WeakPolarHBondContact O-CE 3.33Å; L494-K586 PolarHBondContact O-NZ 3.39Å; Y531-K586 HydrophobicContact CE1-CG 4.32Å; P532-K586 WeakPolarHBondContact CD-O 3.28Å; P532-K586 WeakPolarHBondContact CG-O 3.49Å; K586-W588 PolarHBondContact O-N 3.29Å; K586-Q589 HydrophobicContact CB-CG 4.09Å; K586-Q589 VanDerWaalsContact O-CB 3.23Å; K586-Q589 WeakPolarHBondContact O-CB 3.18Å; K586-Q589 PolarHBondContact O-N 2.84Å; K586-Q589 VanDerWaalsContact O-N 3.14Å
587P97.1Very high98.4Very high45 Ų4515.4 Ų15.429%0.2927%0.071SC..THydrogen-bonded Turntrans-51.2139.4176-27.236.9000111.4T277 Y531 Q589T277-P587 HydrophobicContact CG2-CB 4.04Å; Y531-P587 HydrophobicContact CD2-CG 3.74Å; Y531-P587 VanDerWaalsContact CE2-CD 3.48Å; Y531-P587 HydrophobicContact CE2-CG 3.79Å; P587-Q589 VanDerWaalsContact C-N 3.28Å; P587-Q589 PolarHBondContact O-N 3.37Å
588W97.1Very high98.3Very high91 Ų9118.2 Ų18.235%0.3458%0.083SC..THydrogen-bonded Turntrans65.722.1-177.7-4599.7000115.6T277 N279 R280 P331 L333 K586 E590T277-W588 HydrophobicContact CG2-CD2 4.12Å; T277-W588 HydrophobicContact CG2-CH2 4.43Å; T277-W588 HydrophobicContact CG2-CZ2 4.04Å; T277-W588 PolarHBondContact OG1-N 3.42Å; N279-W588 HydrophobicContact CB-CH2 4.47Å; R280-W588 HydrophobicContact CB-CZ3 4.09Å; P331-W588 HydrophobicContact CB-CH2 4.47Å; P331-W588 HydrophobicContact CB-CZ3 4.35Å; P331-W588 HydrophobicContact CG-CH2 3.47Å; P331-W588 VanDerWaalsContact CG-CH2 3.47Å; P331-W588 HydrophobicContact CG-CZ2 4.11Å; P331-W588 HydrophobicContact CG-CZ3 3.79Å; L333-W588 HydrophobicContact CD1-CD2 4.38Å; L333-W588 HydrophobicContact CD1-CE3 3.87Å; L333-W588 HydrophobicContact CD1-CZ3 4.41Å; K586-W588 PolarHBondContact O-N 3.29Å; W588-E590 VanDerWaalsContact C-OE2 3.32Å; W588-E590 WeakPolarHBondContact CA-OE2 3.35Å
589Q97.6Very high98.3Very high65 Ų6518.8 Ų18.830%0.3049%0.086SC..  trans-116.838.5177.7-59.9-71.5-33.800111.9K586 P587 E591 R592 V593K586-Q589 HydrophobicContact CB-CG 4.09Å; K586-Q589 VanDerWaalsContact O-CB 3.23Å; K586-Q589 WeakPolarHBondContact O-CB 3.18Å; K586-Q589 PolarHBondContact O-N 2.84Å; K586-Q589 VanDerWaalsContact O-N 3.14Å; P587-Q589 VanDerWaalsContact C-N 3.28Å; P587-Q589 PolarHBondContact O-N 3.37Å; Q589-E591 PolarHBondContact O-N 3.2Å; Q589-R592 HydrophobicContact CB-CB 3.99Å; Q589-R592 WeakPolarHBondContact O-CB 3.38Å; Q589-R592 PolarHBondContact O-N 3.26Å; Q589-R592 VanDerWaalsContact O-N 3.13Å; Q589-V593 PolarHBondContact O-N 2.86Å; Q589-V593 VanDerWaalsContact O-N 3.12Å
590E98.6Very high98.3Very high0 Ų018.7 Ų18.70%09%0.085CC..Hα-helixtrans-56.4-39.4177.5-70.874.5-165.500112.4L274 P276 T277 R280 M315 P532 W588 R592 V593 L594L274-E590 HydrophobicContact CD2-CB 4.21Å; L274-E590 HydrophobicContact CD2-CG 4.3Å; P276-E590 HydrophobicContact CB-CG 3.96Å; T277-E590 WeakPolarHBondContact CA-OE1 3.42Å; T277-E590 WeakPolarHBondContact CB-OE1 3.46Å; T277-E590 PolarHBondContact N-OE1 3.04Å; T277-E590 PolarHBondContact OG1-OE1 3.48Å; R280-E590 HydrophobicContact CG-CG 4.22Å; R280-E590 IonicContact NE-OE2 3.57Å; M315-E590 HydrophobicContact CE-CB 4.15Å; M315-E590 HydrophobicContact CE-CG 4.12Å; P532-E590 HydrophobicContact CB-CG 3.87Å; W588-E590 VanDerWaalsContact C-OE2 3.32Å; W588-E590 WeakPolarHBondContact CA-OE2 3.35Å; E590-R592 VanDerWaalsContact C-N 3.3Å; E590-R592 PolarHBondContact O-N 3.03Å; E590-V593 WeakPolarHBondContact O-CB 3.06Å; E590-V593 PolarHBondContact O-N 3.28Å; E590-L594 WeakPolarHBondContact O-CG 3.49Å; E590-L594 PolarHBondContact O-N 2.75Å
591E98.7Very high98.3Very high3 Ų319.2 Ų19.21%0.0149%0.087CC..Hα-helixtrans-64.4-35.9178.7-6781.8-179.600111.8R280 F335 N336 I339 Q589 L594 Y595R280-E591 IonicContact CZ-OE1 3.41Å; R280-E591 IonicContact NH2-OE1 3.99Å; R280-E591 PolarHBondContact NH2-OE1 2.7Å; R280-E591 IonicContact NH2-OE2 2.83Å; F335-E591 WeakPolarHBondContact CA-OE1 3.15Å; F335-E591 HydrophobicContact CD1-CG 4.31Å; F335-E591 HydrophobicContact CD2-CG 3.87Å; F335-E591 WeakPolarHBondContact CD2-OE1 3.36Å; F335-E591 HydrophobicContact CE1-CG 4.09Å; F335-E591 HydrophobicContact CE2-CG 3.65Å; F335-E591 HydrophobicContact CG-CG 4.22Å; F335-E591 HydrophobicContact CZ-CG 3.77Å; N336-E591 HydrophobicContact CB-CG 4.14Å; N336-E591 PolarHBondContact N-OE1 3.03Å; I339-E591 HydrophobicContact CB-CB 3.88Å; I339-E591 HydrophobicContact CG2-CB 3.73Å; Q589-E591 PolarHBondContact O-N 3.2Å; E591-L594 PolarHBondContact O-N 3.02Å; E591-Y595 WeakPolarHBondContact O-CB 3.4Å; E591-Y595 PolarHBondContact O-N 3.32Å
592R98.6Very high98.1Very high11 Ų1123.8 Ų23.84%0.04212%0.115CC..Hα-helixtrans-65.8-42173.7178.964.165.7-174.1-2.8111.1I339 D344 K345 Q589 E590 Y595 V596I339-R592 HydrophobicContact CG2-CB 4.01Å; D344-R592 IonicContact OD1-CZ 3.27Å; D344-R592 IonicContact OD1-NH1 2.67Å; D344-R592 IonicContact OD1-NH2 3.59Å; D344-R592 PolarHBondContact OD1-NH2 2.91Å; D344-R592 IonicContact OD2-CZ 2.73Å; D344-R592 IonicContact OD2-NH2 2.93Å; D344-R592 PolarHBondContact OD2-NH2 2.89Å; K345-R592 PolarHBondContact O-NH1 2.81Å; Q589-R592 HydrophobicContact CB-CB 3.99Å; Q589-R592 WeakPolarHBondContact O-CB 3.38Å; Q589-R592 PolarHBondContact O-N 3.26Å; Q589-R592 VanDerWaalsContact O-N 3.13Å; E590-R592 VanDerWaalsContact C-N 3.3Å; E590-R592 PolarHBondContact O-N 3.03Å; R592-Y595 WeakPolarHBondContact O-CB 3.5Å; R592-Y595 PolarHBondContact O-N 3.46Å; R592-V596 WeakPolarHBondContact O-CG2 3.12Å; R592-V596 PolarHBondContact O-N 2.98Å; R592-V596 VanDerWaalsContact O-N 3.16Å
593V98.9Very high97.6Very high0 Ų025.7 Ų25.70%013%0.128CC..Hα-helixtrans-60.7-49.2175.6171.60000110.1L274 P532 I583 Q589 E590 Y595 V596 M597L274-V593 HydrophobicContact CD1-CG1 3.92Å; P532-V593 HydrophobicContact CB-CG2 4.26Å; P532-V593 HydrophobicContact CG-CG2 4.12Å; I583-V593 HydrophobicContact CB-CG1 4.08Å; I583-V593 HydrophobicContact CG2-CB 4.39Å; I583-V593 HydrophobicContact CG2-CG1 4.12Å; I583-V593 HydrophobicContact CG2-CG2 4.42Å; I583-V593 WeakPolarHBondContact O-CG1 3.42Å; Q589-V593 PolarHBondContact O-N 2.86Å; Q589-V593 VanDerWaalsContact O-N 3.12Å; E590-V593 WeakPolarHBondContact O-CB 3.06Å; E590-V593 PolarHBondContact O-N 3.28Å; V593-Y595 VanDerWaalsContact C-N 3.31Å; V593-Y595 PolarHBondContact O-N 3Å; V593-V596 PolarHBondContact O-N 3.5Å; V593-M597 HydrophobicContact CG1-CG 4.48Å; V593-M597 HydrophobicContact CG1-SD 3.82Å; V593-M597 VanDerWaalsContact O-CG 3.24Å; V593-M597 WeakPolarHBondContact O-CG 3.32Å; V593-M597 PolarHBondContact O-N 3.31Å
594L98.8Very high96.7Very high0 Ų028.6 Ų28.60%014%0.139CC..Hα-helixtrans-62.6-36.3177.6-71.3170.2000112.5L274 V308 L311 A312 M315 F335 Y340 E590 E591 M597 K598L274-L594 HydrophobicContact CD2-CD1 4.12Å; L274-L594 HydrophobicContact CD2-CD2 4.24Å; L274-L594 HydrophobicContact CD2-CG 4.19Å; V308-L594 HydrophobicContact CG1-CB 4.43Å; V308-L594 HydrophobicContact CG1-CD2 4Å; V308-L594 WeakPolarHBondContact CG1-O 3.41Å; L311-L594 HydrophobicContact CB-CD2 3.9Å; L311-L594 HydrophobicContact CD1-CD2 4.09Å; A312-L594 HydrophobicContact CB-CD1 4.38Å; M315-L594 HydrophobicContact CG-CD1 4.42Å; F335-L594 HydrophobicContact CE2-CD1 3.75Å; F335-L594 HydrophobicContact CZ-CD1 4.01Å; Y340-L594 HydrophobicContact CD2-CB 3.68Å; Y340-L594 HydrophobicContact CE2-CB 3.81Å; E590-L594 WeakPolarHBondContact O-CG 3.49Å; E590-L594 PolarHBondContact O-N 2.75Å; E591-L594 PolarHBondContact O-N 3.02Å; L594-M597 HydrophobicContact CD2-CE 4.41Å; L594-M597 HydrophobicContact CD2-SD 4.19Å; L594-M597 PolarHBondContact O-N 2.87Å; L594-K598 WeakPolarHBondContact O-CB 3.44Å; L594-K598 PolarHBondContact O-N 3.48Å
595Y98.6Very high94.7Very high24 Ų2435 Ų359%0.09418%0.178CC..Hα-helixtrans-59.4-53.5174.9169.7-115.3000111.5Y340 G342 L348 E591 R592 V593 M597 K598 E599Y340-Y595 WeakPolarHBondContact O-CB 3.36Å; Y340-Y595 VanDerWaalsContact O-CD2 3.3Å; Y340-Y595 WeakPolarHBondContact O-CD2 3.35Å; G342-Y595 VanDerWaalsContact CA-CE2 3.49Å; L348-Y595 HydrophobicContact CD1-CD1 3.97Å; L348-Y595 HydrophobicContact CD1-CE1 3.86Å; E591-Y595 WeakPolarHBondContact O-CB 3.4Å; E591-Y595 PolarHBondContact O-N 3.32Å; R592-Y595 WeakPolarHBondContact O-CB 3.5Å; R592-Y595 PolarHBondContact O-N 3.46Å; V593-Y595 VanDerWaalsContact C-N 3.31Å; V593-Y595 PolarHBondContact O-N 3Å; Y595-M597 VanDerWaalsContact C-N 3.32Å; Y595-M597 PolarHBondContact O-N 3.15Å; Y595-K598 WeakPolarHBondContact O-CB 3.48Å; Y595-K598 PolarHBondContact O-N 2.63Å; Y595-K598 VanDerWaalsContact O-N 3.08Å; Y595-E599 HydrophobicContact CD2-CG 4.42Å; Y595-E599 WeakPolarHBondContact CE1-OE2 3.29Å; Y595-E599 HydrophobicContact CE2-CG 3.97Å; Y595-E599 VanDerWaalsContact CZ-CD 3.49Å; Y595-E599 PolarHBondContact O-N 3.33Å; Y595-E599 PolarHBondContact OH-OE1 2.9Å; Y595-E599 PolarHBondContact OH-OE2 3.28Å
596V98.7Very high92.6Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-64.1-38.6179.1-179.80000111.3L348 I350 L379 I583 R592 V593 K598 E599 L600L348-V596 HydrophobicContact CD1-CG2 3.57Å; I350-V596 HydrophobicContact CD1-CG1 4.12Å; I350-V596 HydrophobicContact CD1-CG2 4.2Å; L379-V596 HydrophobicContact CD1-CG1 3.89Å; L379-V596 HydrophobicContact CD2-CG1 3.88Å; I583-V596 HydrophobicContact CD1-CG1 3.75Å; I583-V596 HydrophobicContact CG1-CB 4.33Å; I583-V596 HydrophobicContact CG1-CG1 3.94Å; I583-V596 HydrophobicContact CG2-CB 3.88Å; I583-V596 HydrophobicContact CG2-CG1 4.03Å; I583-V596 HydrophobicContact CG2-CG2 4.43Å; R592-V596 WeakPolarHBondContact O-CG2 3.12Å; R592-V596 PolarHBondContact O-N 2.98Å; R592-V596 VanDerWaalsContact O-N 3.16Å; V593-V596 PolarHBondContact O-N 3.5Å; V596-K598 VanDerWaalsContact C-N 3.3Å; V596-K598 PolarHBondContact O-N 2.81Å; V596-E599 PolarHBondContact O-N 3.11Å; V596-L600 PolarHBondContact O-N 3.42Å; V596-L600 VanDerWaalsContact O-N 3.11Å
597M98.7Very high89.8Confident0 Ų040.7 Ų40.70%022%0.216CC..Hα-helixtrans-58.9-42.3173.1-71.116961.700111.9V272 V308 L311 G534 T535 I583 V593 L594 Y595 L600 E601V272-M597 HydrophobicContact CB-CE 4.29Å; V308-M597 HydrophobicContact CG1-CB 3.93Å; V308-M597 HydrophobicContact CG2-CB 3.79Å; V308-M597 HydrophobicContact CG2-CE 4.12Å; L311-M597 HydrophobicContact CD1-CE 3.89Å; G534-M597 WeakPolarHBondContact CA-SD 3.17Å; T535-M597 VanDerWaalsContact O-CE 3.23Å; T535-M597 WeakPolarHBondContact O-CE 3.48Å; I583-M597 HydrophobicContact CB-CG 4.17Å; I583-M597 HydrophobicContact CG1-CG 3.84Å; V593-M597 HydrophobicContact CG1-CG 4.48Å; V593-M597 HydrophobicContact CG1-SD 3.82Å; V593-M597 VanDerWaalsContact O-CG 3.24Å; V593-M597 WeakPolarHBondContact O-CG 3.32Å; V593-M597 PolarHBondContact O-N 3.31Å; L594-M597 HydrophobicContact CD2-CE 4.41Å; L594-M597 HydrophobicContact CD2-SD 4.19Å; L594-M597 PolarHBondContact O-N 2.87Å; Y595-M597 VanDerWaalsContact C-N 3.32Å; Y595-M597 PolarHBondContact O-N 3.15Å; M597-L600 PolarHBondContact O-N 3.5Å; M597-E601 WeakPolarHBondContact O-CB 3.5Å; M597-E601 PolarHBondContact O-N 3.41Å
598K97.9Very high86.9Confident61 Ų6149.9 Ų49.927%0.26526%0.255SS..Hα-helixtrans-66-38.8178.9-177.7169.8-174.3147.70111.7V308 D309 Y340 L594 Y595 V596 L600 E601 T602V308-K598 HydrophobicContact CB-CB 4.42Å; V308-K598 HydrophobicContact CG1-CB 3.99Å; D309-K598 WeakPolarHBondContact OD1-CD 3.43Å; D309-K598 VanDerWaalsContact OD1-CE 3.25Å; D309-K598 WeakPolarHBondContact OD1-CE 3.35Å; D309-K598 IonicContact OD1-NZ 3.67Å; D309-K598 PolarHBondContact OD1-NZ 3.45Å; D309-K598 IonicContact OD2-NZ 2.83Å; D309-K598 PolarHBondContact OD2-NZ 3.44Å; Y340-K598 HydrophobicContact CE2-CD 4.17Å; Y340-K598 PolarHBondContact OH-NZ 3.44Å; L594-K598 WeakPolarHBondContact O-CB 3.44Å; L594-K598 PolarHBondContact O-N 3.48Å; Y595-K598 WeakPolarHBondContact O-CB 3.48Å; Y595-K598 PolarHBondContact O-N 2.63Å; Y595-K598 VanDerWaalsContact O-N 3.08Å; V596-K598 VanDerWaalsContact C-N 3.3Å; V596-K598 PolarHBondContact O-N 2.81Å; K598-L600 VanDerWaalsContact C-N 3.33Å; K598-L600 PolarHBondContact O-N 3.07Å; K598-E601 PolarHBondContact O-N 2.92Å; K598-T602 VanDerWaalsContact O-CB 3.3Å; K598-T602 WeakPolarHBondContact O-CB 3.46Å; K598-T602 PolarHBondContact O-N 3.4Å; K598-T602 PolarHBondContact O-OG1 3.21Å
599E97.5Very high86.4Confident15 Ų1547.9 Ų47.97%0.0725%0.251CS..Hα-helixtrans-62.6-40.8175.9-72.1-156.490.800112.4L379 R382 H384 Y595 V596 S603L379-E599 HydrophobicContact CD2-CB 4.33Å; R382-E599 WeakPolarHBondContact CD-OE1 3.44Å; R382-E599 IonicContact CZ-OE1 3.32Å; R382-E599 IonicContact NE-OE1 3.75Å; R382-E599 PolarHBondContact NE-OE1 3.02Å; R382-E599 IonicContact NH2-OE1 3.76Å; H384-E599 IonicContact CE1-OE1 2.84Å; H384-E599 IonicContact CE1-OE2 3.05Å; H384-E599 PolarHBondContact CE1-OE2 3.11Å; H384-E599 IonicContact NE2-OE1 3.5Å; H384-E599 IonicContact NE2-OE2 2.68Å; H384-E599 PolarHBondContact NE2-OE2 3.36Å; Y595-E599 HydrophobicContact CD2-CG 4.42Å; Y595-E599 WeakPolarHBondContact CE1-OE2 3.29Å; Y595-E599 HydrophobicContact CE2-CG 3.97Å; Y595-E599 VanDerWaalsContact CZ-CD 3.49Å; Y595-E599 PolarHBondContact O-N 3.33Å; Y595-E599 PolarHBondContact OH-OE1 2.9Å; Y595-E599 PolarHBondContact OH-OE2 3.28Å; V596-E599 PolarHBondContact O-N 3.11Å; E599-S603 WeakPolarHBondContact O-CB 3.39Å; E599-S603 PolarHBondContact O-N 3.14Å; E599-S603 PolarHBondContact O-OG 3.16Å
600L98.1Very high85.8Confident0 Ų046.9 Ų46.90%025%0.248CC..Hα-helixtrans-65-51.3172.2-74.1173.7000112S375 I378 L379 I498 V536 M538 V581 I583 V596 M597 K598 T602 S603 R604S375-L600 WeakPolarHBondContact O-CD2 3.45Å; I378-L600 HydrophobicContact CB-CD2 4.28Å; I378-L600 HydrophobicContact CG2-CD2 4Å; L379-L600 HydrophobicContact CD1-CD1 4.46Å; L379-L600 HydrophobicContact CD1-CD2 4.18Å; L379-L600 HydrophobicContact CD1-CG 4.39Å; L379-L600 HydrophobicContact CD2-CD2 4.09Å; L379-L600 HydrophobicContact CD2-CG 4.07Å; L379-L600 HydrophobicContact CG-CD2 3.78Å; L379-L600 HydrophobicContact CG-CG 4.21Å; I498-L600 HydrophobicContact CD1-CD1 4.11Å; V536-L600 HydrophobicContact CG1-CB 4.26Å; V536-L600 HydrophobicContact CG1-CD1 3.76Å; M538-L600 HydrophobicContact CE-CB 4.02Å; M538-L600 HydrophobicContact CE-CD2 4Å; M538-L600 HydrophobicContact SD-CB 3.73Å; V581-L600 HydrophobicContact CG2-CD1 3.79Å; I583-L600 HydrophobicContact CD1-CD1 3.82Å; I583-L600 HydrophobicContact CG1-CD1 4.27Å; V596-L600 PolarHBondContact O-N 3.42Å; V596-L600 VanDerWaalsContact O-N 3.11Å; M597-L600 PolarHBondContact O-N 3.5Å; K598-L600 VanDerWaalsContact C-N 3.33Å; K598-L600 PolarHBondContact O-N 3.07Å; L600-T602 VanDerWaalsContact C-N 3.28Å; L600-T602 PolarHBondContact O-N 3.05Å; L600-S603 PolarHBondContact O-N 3.21Å; L600-S603 VanDerWaalsContact O-N 3.15Å; L600-R604 PolarHBondContact O-N 3.42Å; L600-R604 VanDerWaalsContact O-N 3.13Å
601E96.9Very high85.1Confident16 Ų1649.6 Ų49.68%0.07526%0.262CS..Hα-helixtrans-60.1-35.6-179.4178173.9-9800112.8R307 V308 V536 M597 K598 R604R307-E601 VanDerWaalsContact CA-OE1 3.31Å; R307-E601 WeakPolarHBondContact CA-OE1 3.5Å; V308-E601 HydrophobicContact CG2-CB 3.95Å; V308-E601 HydrophobicContact CG2-CG 4.41Å; V308-E601 PolarHBondContact N-OE1 3.19Å; V308-E601 PolarHBondContact N-OE2 3.18Å; V536-E601 HydrophobicContact CG2-CB 4.22Å; M597-E601 WeakPolarHBondContact O-CB 3.5Å; M597-E601 PolarHBondContact O-N 3.41Å; K598-E601 PolarHBondContact O-N 2.92Å; E601-R604 VanDerWaalsContact O-CG 3.31Å; E601-R604 WeakPolarHBondContact O-CG 3.31Å; E601-R604 PolarHBondContact O-NE 3.34Å; E601-R604 IonicContact OE1-NH2 3.12Å
602T94.8Very high84.3Confident96 Ų9652.3 Ų52.359%0.58928%0.276SS*.Hα-helixtrans-78-24.5-179.5-52.60000112.1K598 L600K598-T602 VanDerWaalsContact O-CB 3.3Å; K598-T602 WeakPolarHBondContact O-CB 3.46Å; K598-T602 PolarHBondContact O-N 3.4Å; K598-T602 PolarHBondContact O-OG1 3.21Å; L600-T602 VanDerWaalsContact C-N 3.28Å; L600-T602 PolarHBondContact O-N 3.05Å
603S89.8Confident83.4Confident39 Ų3954.9 Ų54.927%0.27329%0.291SS..Hα-helixtrans-98.1-5.8-175.3-49.60000113.3I378 R382 E599 L600I378-S603 VanDerWaalsContact CG2-CB 3.47Å; R382-S603 WeakPolarHBondContact CD-OG 3.23Å; R382-S603 PolarHBondContact NH1-OG 3.48Å; E599-S603 WeakPolarHBondContact O-CB 3.39Å; E599-S603 PolarHBondContact O-N 3.14Å; E599-S603 PolarHBondContact O-OG 3.16Å; L600-S603 PolarHBondContact O-N 3.21Å; L600-S603 VanDerWaalsContact O-N 3.15Å
604R78.3Confident82.3Confident63 Ų6358.5 Ų58.524%0.23831%0.31CS..  trans-73.3129.7175.974.9-169.6175168.91.7110P537 M538 L600 E601 L606P537-R604 PolarHBondContact O-NH1 3.46Å; M538-R604 HydrophobicContact CE-CB 4.09Å; L600-R604 PolarHBondContact O-N 3.42Å; L600-R604 VanDerWaalsContact O-N 3.13Å; E601-R604 VanDerWaalsContact O-CG 3.31Å; E601-R604 WeakPolarHBondContact O-CG 3.31Å; E601-R604 PolarHBondContact O-NE 3.34Å; E601-R604 IonicContact OE1-NH2 3.12Å; R604-L606 HydrophobicContact CG-CD1 4.5Å; R604-L606 HydrophobicContact CG-CG 4.01Å; R604-L606 VanDerWaalsContact CZ-CD1 3.4Å; R604-L606 PolarHBondContact O-N 3.37Å
605T58.5Low81.2Confident135 Ų13562.7 Ų62.783%0.82833%0.333SS*.  trans-85.491.416046.80000107.5T607T605-T607 PolarHBondContact O-N 3.05Å
606L54.2Low79.8Confident64 Ų6465.7 Ų65.734%0.33535%0.351SS..  trans-75.6110.8163.2-72.3174.8000106.9Y540 R604 E608Y540-L606 HydrophobicContact CE2-CD2 4.08Å; R604-L606 HydrophobicContact CG-CD1 4.5Å; R604-L606 HydrophobicContact CG-CG 4.01Å; R604-L606 VanDerWaalsContact CZ-CD1 3.4Å; R604-L606 PolarHBondContact O-N 3.37Å; L606-E608 PolarHBondContact O-N 3.06Å
607T39.6Very low78.2Confident126 Ų12671.2 Ų71.277%0.77338%0.38SS*.  trans-68.6103.6148.845.70000105.5T605T605-T607 PolarHBondContact O-N 3.05Å
608E34.7Very low76.4Confident239 Ų23977.6 Ų77.6100%1.11742%0.415SS*.  trans-58.80167.3-77.4-170.5159.300111.2L606L606-E608 PolarHBondContact O-N 3.06Å

Retrieved 608 of 608 residues in 176.9 ms (Link to these results)

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