TCPE_HUMAN Loading...

T-complex protein 1 subunit epsilon

Component of the chaperonin-containing T-complex (TRiC), a molecular chaperone complex that assists the folding of actin, tubulin and other proteins upon ATP hydrolysis1,2,3,4. The TRiC complex mediates the folding of WRAP53/TCAB1, thereby regulating telomere maintenance5. As part of the TRiC complex may play a role in the assembly of BBSome, a complex involved in ciliogenesis regulating transports vesicles to the cilia6.

AlphaFold DB , UniProt , Accession P48643, Species HUMAN (Homo sapiens, Human), Gene CCT5, Length 541 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M33.9Very low61.8Low254 Ų254110.5 Ų110.5100%1.25161%0.613SS**  0670-93.3-165.1-93.600111.4
2A37.9Very low63.5Low91 Ų91116.9 Ų116.975%0.75262%0.623SS**  trans-145.797.5162.600000106.5M4A2-M4 PolarHBondContact O-N 3.44Å
3S47.5Very low64.9Low97 Ų97111.7 Ų111.768%0.67861%0.614SS**  trans-72.3102.1176.741.40000108.6G5S3-G5 VanDerWaalsContact C-N 3.31Å; S3-G5 PolarHBondContact O-N 3.44Å
4M50.8Low66Low160 Ų160116.1 Ų116.179%0.78862%0.617SS**  trans-75.986.5171.5-75.9-161.1-13600109.4A2 Q22A2-M4 PolarHBondContact O-N 3.44Å; M4-Q22 PolarHBondContact O-NE2 3.4Å; M4-Q22 PolarHBondContact O-OE1 2.9Å
5G58Low67.1Low22 Ų22114.1 Ų114.123%0.22761%0.613CS.*PPolyproline II helixtrans-66.5141.1158.900000110S3 L7S3-G5 VanDerWaalsContact C-N 3.31Å; S3-G5 PolarHBondContact O-N 3.44Å; G5-L7 PolarHBondContact O-N 3.27Å
6T61.9Low67.5Low96 Ų96113.1 Ų113.159%0.58960%0.601SS**EExtended strand (participates in β ladder)trans-80.1118.1172.4-39.90000107.2A8 I18T6-A8 PolarHBondContact O-N 3.25Å; T6-I18 PolarHBondContact O-N 3.28Å; T6-I18 VanDerWaalsContact O-N 3.1Å
7L66.5Low67.8Low100 Ų100112 Ų11252%0.52460%0.595SS.*EExtended strand (participates in β ladder)trans-75.5116.3176-152.5101.8000108.1G5 F9 P15 L17G5-L7 PolarHBondContact O-N 3.27Å; L7-F9 HydrophobicContact CD2-CE1 4.26Å; L7-F9 HydrophobicContact CD2-CE2 3.92Å; L7-F9 HydrophobicContact CD2-CZ 3.56Å; L7-P15 HydrophobicContact CD2-CB 4.08Å; L7-P15 HydrophobicContact CG-CB 4.29Å; L7-L17 HydrophobicContact CD1-CD1 3.81Å
8A73.5Confident67.7Low23 Ų23110.3 Ų110.319%0.1959%0.585CS.*EExtended strand (participates in β ladder)trans-115.2157.317400000109.3T6 P15 F16 I18T6-A8 PolarHBondContact O-N 3.25Å; A8-P15 CarbonylContact O-C 3.59Å; A8-P15 WeakPolarHBondContact O-CA 3.28Å; A8-F16 HydrophobicContact CB-CD2 4.34Å; A8-F16 HydrophobicContact CB-CE1 4.31Å; A8-F16 HydrophobicContact CB-CE2 3.84Å; A8-F16 HydrophobicContact CB-CZ 3.82Å; A8-F16 PolarHBondContact N-O 2.89Å; A8-F16 PolarHBondContact O-N 3.45Å; A8-F16 VanDerWaalsContact O-O 3.07Å; A8-I18 HydrophobicContact CB-CD1 3.84Å; A8-I18 HydrophobicContact CB-CG1 4.15Å
9F81.4Confident67.2Low128 Ų128110.1 Ų110.156%0.56158%0.583SS**EExtended strand (participates in β ladder)trans-116138.2178.1-64.6-88.1000109.2L7 R14 P15L7-F9 HydrophobicContact CD2-CE1 4.26Å; L7-F9 HydrophobicContact CD2-CE2 3.92Å; L7-F9 HydrophobicContact CD2-CZ 3.56Å; F9-R14 WeakPolarHBondContact CA-O 3.46Å; F9-P15 HydrophobicContact CD1-CB 4.05Å; F9-P15 HydrophobicContact CE1-CB 3.75Å; F9-P15 HydrophobicContact CE1-CG 4.38Å; F9-P15 HydrophobicContact CZ-CB 4.48Å
10D83.8Confident66.8Low53 Ų53112.4 Ų112.428%0.28359%0.588SS.*  trans-76.1176.7172.272.15.8000111.1Y12 G13 R14 F16D10-Y12 PolarHBondContact O-N 3.32Å; D10-Y12 VanDerWaalsContact OD1-C 3.23Å; D10-Y12 VanDerWaalsContact OD1-CA 3.28Å; D10-Y12 WeakPolarHBondContact OD1-CA 3.37Å; D10-Y12 WeakPolarHBondContact OD1-CB 3.2Å; D10-Y12 PolarHBondContact OD1-N 3.15Å; D10-G13 PolarHBondContact O-N 2.85Å; D10-G13 PolarHBondContact OD1-N 3.43Å; D10-R14 PolarHBondContact N-O 2.93Å; D10-R14 WeakPolarHBondContact OD1-CB 3.38Å; D10-R14 PolarHBondContact OD1-N 3.16Å; D10-R14 WeakPolarHBondContact OD2-CB 3.33Å; D10-F16 HydrophobicContact CB-CD1 4.05Å; D10-F16 HydrophobicContact CB-CE1 3.81Å
11E84.5Confident66.4Low192 Ų192111.5 Ų111.590%0.89758%0.584SS**THydrogen-bonded Turntrans-59.4-15.9177.8-52.1-179.9-155.800113
12Y82.6Confident67.3Low187 Ų187102.8 Ų102.873%0.73354%0.54SS*.THydrogen-bonded Turntrans-102.67.2178.5-57.5-74.2000113.2D10 R14D10-Y12 PolarHBondContact O-N 3.32Å; D10-Y12 VanDerWaalsContact OD1-C 3.23Å; D10-Y12 VanDerWaalsContact OD1-CA 3.28Å; D10-Y12 WeakPolarHBondContact OD1-CA 3.37Å; D10-Y12 WeakPolarHBondContact OD1-CB 3.2Å; D10-Y12 PolarHBondContact OD1-N 3.15Å; Y12-R14 VanDerWaalsContact C-N 3.28Å; Y12-R14 PolarHBondContact O-N 3.36Å
13G81.7Confident68.2Low49 Ų49105.7 Ų105.751%0.50554%0.543SS..SBendtrans72.316.3-179.100000114.3D10D10-G13 PolarHBondContact O-N 2.85Å; D10-G13 PolarHBondContact OD1-N 3.43Å
14R80.2Confident68.8Low174 Ų174109 Ų10966%0.65754%0.54SS*.  trans-82.8126.5174.6-58.8177.9174.6-178-0.6109.3F9 D10 Y12 F16F9-R14 WeakPolarHBondContact CA-O 3.46Å; D10-R14 PolarHBondContact N-O 2.93Å; D10-R14 WeakPolarHBondContact OD1-CB 3.38Å; D10-R14 PolarHBondContact OD1-N 3.16Å; D10-R14 WeakPolarHBondContact OD2-CB 3.33Å; Y12-R14 VanDerWaalsContact C-N 3.28Å; Y12-R14 PolarHBondContact O-N 3.36Å; R14-F16 PolarHBondContact O-N 2.72Å
15P82Confident69.7Low85 Ų85105.8 Ų105.855%0.55252%0.522SS*.EExtended strand (participates in β ladder)trans-70.1131.517627.6-31.7000109.9L7 A8 F9L7-P15 HydrophobicContact CD2-CB 4.08Å; L7-P15 HydrophobicContact CG-CB 4.29Å; A8-P15 CarbonylContact O-C 3.59Å; A8-P15 WeakPolarHBondContact O-CA 3.28Å; F9-P15 HydrophobicContact CD1-CB 4.05Å; F9-P15 HydrophobicContact CE1-CB 3.75Å; F9-P15 HydrophobicContact CE1-CG 4.38Å; F9-P15 HydrophobicContact CZ-CB 4.48Å
16F73.4Confident70.6Confident98 Ų98108 Ų10843%0.4353%0.534SS..EExtended strand (participates in β ladder)trans-128.2145.3165.363.7-90.8000110A8 D10 R14 I18A8-F16 HydrophobicContact CB-CD2 4.34Å; A8-F16 HydrophobicContact CB-CE1 4.31Å; A8-F16 HydrophobicContact CB-CE2 3.84Å; A8-F16 HydrophobicContact CB-CZ 3.82Å; A8-F16 PolarHBondContact N-O 2.89Å; A8-F16 PolarHBondContact O-N 3.45Å; A8-F16 VanDerWaalsContact O-O 3.07Å; D10-F16 HydrophobicContact CB-CD1 4.05Å; D10-F16 HydrophobicContact CB-CE1 3.81Å; R14-F16 PolarHBondContact O-N 2.72Å; F16-I18 HydrophobicContact CD2-CG1 4.08Å; F16-I18 HydrophobicContact CE2-CD1 4.1Å; F16-I18 HydrophobicContact CE2-CG1 3.73Å
17L72.7Confident71.6Confident95 Ų95109.2 Ų109.250%0.49753%0.528SS..EExtended strand (participates in β ladder)trans-90120.5179.2-117.798.9000109.2L7 I19L7-L17 HydrophobicContact CD1-CD1 3.81Å; L17-I19 HydrophobicContact CB-CD1 4.45Å; L17-I19 HydrophobicContact CB-CG1 4.12Å; L17-I19 HydrophobicContact CD2-CD1 4.12Å; L17-I19 HydrophobicContact CD2-CG1 3.9Å; L17-I19 PolarHBondContact O-N 2.96Å
18I66.9Low72.5Confident81 Ų81107.3 Ų107.342%0.41552%0.518SS..EExtended strand (participates in β ladder)trans-81.697.6168-57.5176.7000107.7T6 A8 F16 K20T6-I18 PolarHBondContact O-N 3.28Å; T6-I18 VanDerWaalsContact O-N 3.1Å; A8-I18 HydrophobicContact CB-CD1 3.84Å; A8-I18 HydrophobicContact CB-CG1 4.15Å; F16-I18 HydrophobicContact CD2-CG1 4.08Å; F16-I18 HydrophobicContact CE2-CD1 4.1Å; F16-I18 HydrophobicContact CE2-CG1 3.73Å; I18-K20 HydrophobicContact CG2-CB 4.49Å
19I57.5Low73.1Confident107 Ų107111 Ų11155%0.54953%0.532SS..  trans-98.693171.8-51.5173.3000107.2L17L17-I19 HydrophobicContact CB-CD1 4.45Å; L17-I19 HydrophobicContact CB-CG1 4.12Å; L17-I19 HydrophobicContact CD2-CD1 4.12Å; L17-I19 HydrophobicContact CD2-CG1 3.9Å; L17-I19 PolarHBondContact O-N 2.96Å
20K58.9Low73.4Confident155 Ų155106.4 Ų106.467%0.67452%0.521SS*.  trans-98.591.5177.5-156.1177.7-174.7-179.10110.6I18 Q22 K25I18-K20 HydrophobicContact CG2-CB 4.49Å; K20-Q22 PolarHBondContact O-N 3.31Å; K20-Q22 VanDerWaalsContact O-N 3.08Å; K20-K25 PolarHBondContact O-NZ 2.68Å
21D59.6Low73.7Confident95 Ų95108.8 Ų108.851%0.50853%0.533SS..SBendtrans48.335.5174.8-65.5-45.6000114.9K25D21-K25 WeakPolarHBondContact O-CD 3.27Å; D21-K25 WeakPolarHBondContact O-CE 3.44Å; D21-K25 WeakPolarHBondContact O-CG 3.33Å
22Q52.6Low73.9Confident70 Ų70106.5 Ų106.533%0.32752%0.523SS..  trans-71.2-34.5-176.2-78-169.8-7.900112.7M4 K20 R24 K25M4-Q22 PolarHBondContact O-NE2 3.4Å; M4-Q22 PolarHBondContact O-OE1 2.9Å; K20-Q22 PolarHBondContact O-N 3.31Å; K20-Q22 VanDerWaalsContact O-N 3.08Å; Q22-R24 PolarHBondContact O-N 2.82Å; Q22-K25 PolarHBondContact O-N 3.1Å
23D55.6Low74.3Confident152 Ų15297.6 Ų97.681%0.81349%0.488SS*.THydrogen-bonded Turntrans-64.9-25180-66.1-26000112.7
24R61.5Low74.8Confident167 Ų16795.5 Ų95.563%0.6347%0.465SS*.THydrogen-bonded Turntrans-85.1-15.7176.4-67.7-178.9175.3-179.6-5.9112.6Q22 G537Q22-R24 PolarHBondContact O-N 2.82Å; R24-G537 WeakPolarHBondContact O-CA 3.47Å; R24-G537 PolarHBondContact O-N 3Å
25K69.6Low75.4Confident92 Ų9290.6 Ų90.640%0.445%0.449SS..  trans-95.1122.2-172.7-71.9165.7-171.8163.80110.8K20 D21 Q22 K535K20-K25 PolarHBondContact O-NZ 2.68Å; D21-K25 WeakPolarHBondContact O-CD 3.27Å; D21-K25 WeakPolarHBondContact O-CE 3.44Å; D21-K25 WeakPolarHBondContact O-CG 3.33Å; Q22-K25 PolarHBondContact O-N 3.1Å; K25-K535 VanDerWaalsContact CA-O 3.31Å; K25-K535 WeakPolarHBondContact CA-O 3.46Å
26S76.5Confident75.9Confident69 Ų6988.4 Ų88.448%0.48344%0.435SS..EExtended strand (participates in β ladder)trans-84.1136.6166.958.50000109.9K535S26-K535 PolarHBondContact N-O 3.18Å; S26-K535 PolarHBondContact O-N 3.23Å; S26-K535 WeakPolarHBondContact OG-CB 3.28Å
27R82.6Confident76.8Confident122 Ų12284 Ų8446%0.4642%0.416SS..EExtended strand (participates in β ladder)trans-126.4126.9176.9-168.8-177-174.5-164.7-2.8109.6M29 D532 I533 R534R27-M29 HydrophobicContact CG-CG 3.91Å; R27-M29 HydrophobicContact CG-SD 4.43Å; R27-M29 PolarHBondContact NE-SD 3.35Å; R27-M29 VanDerWaalsContact NE-SD 3.41Å; R27-M29 PolarHBondContact NH1-SD 2.94Å; R27-M29 VanDerWaalsContact NH1-SD 3.45Å; R27-D532 VanDerWaalsContact CG-OD1 3.28Å; R27-D532 WeakPolarHBondContact CG-OD1 3.35Å; R27-D532 IonicContact CZ-OD1 3.61Å; R27-D532 IonicContact CZ-OD2 3.32Å; R27-D532 VanDerWaalsContact CZ-OD2 3.32Å; R27-D532 IonicContact NE-OD1 2.76Å; R27-D532 PolarHBondContact NE-OD1 3.05Å; R27-D532 IonicContact NE-OD2 3.19Å; R27-D532 PolarHBondContact NE-OD2 2.83Å; R27-D532 IonicContact NH2-OD1 3.61Å; R27-D532 IonicContact NH2-OD2 2.68Å; R27-D532 PolarHBondContact NH2-OD2 3Å; R27-I533 VanDerWaalsContact CA-O 3.26Å; R27-I533 WeakPolarHBondContact CA-O 3.44Å; R27-R534 HydrophobicContact CG-CG 4.23Å
28L84.7Confident77.9Confident59 Ų5979.6 Ų79.631%0.30939%0.393SS..EExtended strand (participates in β ladder)trans-112.2133.6171.3-72.4165.9000107.7A33 I533L28-A33 HydrophobicContact CB-CB 4.14Å; L28-I533 HydrophobicContact CB-CB 4.4Å; L28-I533 HydrophobicContact CB-CD1 4.06Å; L28-I533 HydrophobicContact CD1-CD1 4.08Å; L28-I533 PolarHBondContact N-O 2.77Å; L28-I533 VanDerWaalsContact N-O 3.1Å; L28-I533 PolarHBondContact O-N 3.03Å
29M87Confident79.2Confident100 Ų10082.2 Ų82.249%0.49341%0.405SS..EExtended strand (participates in β ladder)trans-131.5150.1-173.6-65.1-174.666.900112.7R27 D531R27-M29 HydrophobicContact CG-CG 3.91Å; R27-M29 HydrophobicContact CG-SD 4.43Å; R27-M29 PolarHBondContact NE-SD 3.35Å; R27-M29 VanDerWaalsContact NE-SD 3.41Å; R27-M29 PolarHBondContact NH1-SD 2.94Å; R27-M29 VanDerWaalsContact NH1-SD 3.45Å; M29-D531 CarbonylContact C-O 3.52Å; M29-D531 VanDerWaalsContact CA-O 3.29Å; M29-D531 WeakPolarHBondContact CA-O 3.35Å
30G87.7Confident81Confident32 Ų3277.9 Ų77.933%0.3339%0.385SS..THydrogen-bonded Turntrans64-135.2169.300000113.1E32 A33 L34 D531G30-E32 VanDerWaalsContact C-N 3.3Å; G30-E32 PolarHBondContact O-N 3.35Å; G30-A33 PolarHBondContact O-N 2.84Å; G30-L34 PolarHBondContact O-N 2.71Å; G30-D531 PolarHBondContact N-O 2.98Å
31L88.9Confident82.7Confident103 Ų10370.5 Ų70.554%0.53935%0.353SS..Hα-helixtrans-62.7-33.6-176.1-69.7171.4000113.1L34 K35L31-L34 PolarHBondContact O-N 2.8Å; L31-K35 WeakPolarHBondContact O-CB 3.46Å; L31-K35 WeakPolarHBondContact O-CG 3.42Å; L31-K35 PolarHBondContact O-N 3.03Å
32E89.3Confident84.4Confident145 Ų14568.8 Ų68.868%0.67834%0.341SS*.Hα-helixtrans-66.1-39.7178.5-67.5-179.5-178.900111.8G30 S36G30-E32 VanDerWaalsContact C-N 3.3Å; G30-E32 PolarHBondContact O-N 3.35Å; E32-S36 WeakPolarHBondContact O-CB 3.3Å; E32-S36 PolarHBondContact O-N 2.67Å
33A91.1Very high86.4Confident0 Ų068 Ų680%035%0.347CS..Hα-helixtrans-62.9-48.1174.900000110.9L28 G30 K35 S36 H37 I533L28-A33 HydrophobicContact CB-CB 4.14Å; G30-A33 PolarHBondContact O-N 2.84Å; A33-K35 PolarHBondContact O-N 2.89Å; A33-S36 WeakPolarHBondContact O-CB 3.34Å; A33-S36 PolarHBondContact O-N 2.97Å; A33-H37 PolarHBondContact O-CD2 2.89Å; A33-H37 PolarHBondContact O-N 3.21Å; A33-H37 PolarHBondContact O-ND1 3.48Å; A33-I533 HydrophobicContact CB-CD1 4.06Å; A33-I533 HydrophobicContact CB-CG1 4.25Å
34L92Very high88.2Confident5 Ų561.2 Ų61.23%0.02631%0.31CS..Hα-helixtrans-60.9-44.7178.3-70.6170.2000112.3G30 L31 S36 H37 I38 L124 P130 I530G30-L34 PolarHBondContact O-N 2.71Å; L31-L34 PolarHBondContact O-N 2.8Å; L34-S36 VanDerWaalsContact C-N 3.35Å; L34-S36 PolarHBondContact O-N 3.32Å; L34-H37 WeakPolarHBondContact O-CB 3.29Å; L34-H37 PolarHBondContact O-N 3.24Å; L34-H37 VanDerWaalsContact O-N 3.16Å; L34-I38 VanDerWaalsContact O-CG1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.35Å; L34-I38 PolarHBondContact O-N 3.02Å; L34-L124 HydrophobicContact CB-CD1 4.23Å; L34-L124 HydrophobicContact CD1-CD1 4.33Å; L34-L124 HydrophobicContact CD1-CD2 4.39Å; L34-P130 HydrophobicContact CD1-CB 4.34Å; L34-P130 HydrophobicContact CD1-CG 3.55Å; L34-I530 VanDerWaalsContact CD2-O 3.28Å; L34-I530 WeakPolarHBondContact CD2-O 3.43Å
35K92.3Very high89.8Confident71 Ų7153.5 Ų53.531%0.30928%0.283SS..Hα-helixtrans-63.2-40.6175.9-73.3-169177.8-152.30112.2L31 A33 H37 I38 M39 D125L31-K35 WeakPolarHBondContact O-CB 3.46Å; L31-K35 WeakPolarHBondContact O-CG 3.42Å; L31-K35 PolarHBondContact O-N 3.03Å; A33-K35 PolarHBondContact O-N 2.89Å; K35-H37 VanDerWaalsContact C-N 3.28Å; K35-H37 PolarHBondContact O-N 3.34Å; K35-I38 PolarHBondContact O-N 3.42Å; K35-M39 WeakPolarHBondContact O-CB 3.41Å; K35-M39 PolarHBondContact O-N 3.42Å; K35-D125 WeakPolarHBondContact CE-OD1 3.33Å; K35-D125 IonicContact NZ-OD1 2.67Å; K35-D125 PolarHBondContact NZ-OD1 3.41Å; K35-D125 IonicContact NZ-OD2 3.54Å
36S92.8Very high91Very high39 Ų3952.7 Ų52.727%0.27328%0.283SS..Hα-helixtrans-61-38.7173.6-176.80000111.9E32 A33 L34 A40E32-S36 WeakPolarHBondContact O-CB 3.3Å; E32-S36 PolarHBondContact O-N 2.67Å; A33-S36 WeakPolarHBondContact O-CB 3.34Å; A33-S36 PolarHBondContact O-N 2.97Å; L34-S36 VanDerWaalsContact C-N 3.35Å; L34-S36 PolarHBondContact O-N 3.32Å; S36-A40 PolarHBondContact O-N 3.09Å; S36-A40 VanDerWaalsContact O-N 3.13Å
37H93.7Very high91.8Very high6 Ų652.1 Ų52.13%0.02828%0.276CS..Hα-helixtrans-65.1-48177.1-65.7-22.5000112.4A33 L34 K35 A40 A41 H85 I87 I527 I530 I533A33-H37 PolarHBondContact O-CD2 2.89Å; A33-H37 PolarHBondContact O-N 3.21Å; A33-H37 PolarHBondContact O-ND1 3.48Å; L34-H37 WeakPolarHBondContact O-CB 3.29Å; L34-H37 PolarHBondContact O-N 3.24Å; L34-H37 VanDerWaalsContact O-N 3.16Å; K35-H37 VanDerWaalsContact C-N 3.28Å; K35-H37 PolarHBondContact O-N 3.34Å; H37-A40 PolarHBondContact O-N 3.2Å; H37-A41 PolarHBondContact O-N 3.44Å; H37-H85 AromaticContact ND1-CE1 3.78Å; H37-I87 HydrophobicContact CB-CD1 4.37Å; H37-I87 HydrophobicContact CB-CG1 3.81Å; H37-I87 WeakPolarHBondContact ND1-CG1 3.46Å; H37-I527 HydrophobicContact CB-CG2 3.96Å; H37-I530 PolarHBondContact CD2-O 3.19Å; H37-I530 WeakPolarHBondContact NE2-CG2 2.88Å; H37-I533 WeakPolarHBondContact CE1-CD1 3.41Å; H37-I533 VanDerWaalsContact CE1-CG1 3.4Å; H37-I533 WeakPolarHBondContact CE1-CG1 3.39Å
38I94.7Very high92.3Very high1 Ų146.3 Ų46.31%0.00525%0.254CS..Hα-helixtrans-61.9-45.6178.4-66.6164.1000110.3L34 K35 A40 A41 K42 L117 E121 L124L34-I38 VanDerWaalsContact O-CG1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.35Å; L34-I38 PolarHBondContact O-N 3.02Å; K35-I38 PolarHBondContact O-N 3.42Å; I38-A40 VanDerWaalsContact C-N 3.32Å; I38-A40 PolarHBondContact O-N 2.98Å; I38-A41 PolarHBondContact O-N 2.94Å; I38-K42 VanDerWaalsContact O-CB 3.25Å; I38-K42 WeakPolarHBondContact O-CB 3.23Å; I38-K42 PolarHBondContact O-N 3.31Å; I38-L117 HydrophobicContact CG1-CB 4.18Å; I38-L117 HydrophobicContact CG1-CD2 4.12Å; I38-L117 HydrophobicContact CG2-CB 4.16Å; I38-L117 WeakPolarHBondContact CG2-O 3.45Å; I38-E121 HydrophobicContact CD1-CB 3.99Å; I38-E121 HydrophobicContact CD1-CG 4.33Å; I38-E121 HydrophobicContact CG2-CB 4.2Å; I38-L124 HydrophobicContact CD1-CD1 3.77Å
39M94.9Very high92.7Very high137 Ų13746.1 Ų46.168%0.67525%0.25SC*.Hα-helixtrans-58.3-44177.7-176.1-178.7-69.700112.1K35 K42 A43K35-M39 WeakPolarHBondContact O-CB 3.41Å; K35-M39 PolarHBondContact O-N 3.42Å; M39-K42 PolarHBondContact O-N 3.03Å; M39-A43 WeakPolarHBondContact O-CB 3.46Å; M39-A43 PolarHBondContact O-N 3.41Å
40A94.4Very high93Very high16 Ų1644.9 Ų44.913%0.13225%0.248CC..Hα-helixtrans-64.5-45.417800000112.1S36 H37 I38 A43 V44 H85S36-A40 PolarHBondContact O-N 3.09Å; S36-A40 VanDerWaalsContact O-N 3.13Å; H37-A40 PolarHBondContact O-N 3.2Å; I38-A40 VanDerWaalsContact C-N 3.32Å; I38-A40 PolarHBondContact O-N 2.98Å; A40-A43 PolarHBondContact O-N 2.89Å; A40-V44 WeakPolarHBondContact O-CG2 3.45Å; A40-V44 PolarHBondContact O-N 2.78Å; A40-H85 HydrophobicContact CB-CB 4.32Å; A40-H85 VanDerWaalsContact CB-CE1 3.44Å; A40-H85 WeakPolarHBondContact CB-CE1 3.49Å; A40-H85 VanDerWaalsContact CB-ND1 3.33Å; A40-H85 WeakPolarHBondContact CB-ND1 3.02Å
41A95.2Very high93.2Very high0 Ų043.4 Ų43.40%023%0.232CC..Hα-helixtrans-64.9-40.9177.700000112.1H37 I38 A43 V44 A45 I87 M91 L117H37-A41 PolarHBondContact O-N 3.44Å; I38-A41 PolarHBondContact O-N 2.94Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A41-A43 PolarHBondContact O-N 2.98Å; A41-V44 PolarHBondContact O-N 3.02Å; A41-A45 WeakPolarHBondContact O-CB 3.17Å; A41-A45 PolarHBondContact O-N 3.42Å; A41-I87 HydrophobicContact CB-CG2 4.11Å; A41-M91 HydrophobicContact CB-CG 4.21Å; A41-M91 HydrophobicContact CB-SD 4.18Å; A41-L117 HydrophobicContact CB-CD1 3.32Å
42K94.7Very high93.4Very high59 Ų5939.6 Ų39.626%0.25721%0.212SC..Hα-helixtrans-62-39.8175.8-178.7170.11761740111.9I38 M39 V44 A45 N46 E118I38-K42 VanDerWaalsContact O-CB 3.25Å; I38-K42 WeakPolarHBondContact O-CB 3.23Å; I38-K42 PolarHBondContact O-N 3.31Å; M39-K42 PolarHBondContact O-N 3.03Å; K42-V44 PolarHBondContact O-N 3.22Å; K42-A45 PolarHBondContact O-N 2.68Å; K42-N46 VanDerWaalsContact O-CB 3.28Å; K42-N46 WeakPolarHBondContact O-CB 3.44Å; K42-N46 PolarHBondContact O-N 2.67Å; K42-N46 PolarHBondContact O-ND2 3.47Å; K42-E118 HydrophobicContact CD-CG 4.47Å; K42-E118 WeakPolarHBondContact CE-OE1 3.32Å; K42-E118 VanDerWaalsContact CE-OE2 3.31Å; K42-E118 WeakPolarHBondContact CE-OE2 3.45Å; K42-E118 IonicContact NZ-OE1 2.65Å; K42-E118 PolarHBondContact NZ-OE1 3.16Å; K42-E118 IonicContact NZ-OE2 3.5Å
43A94.5Very high93.5Very high54 Ų5433.4 Ų33.445%0.44619%0.187SC..Hα-helixtrans-61.5-42.9175.300000112.1M39 A40 A41 T47M39-A43 WeakPolarHBondContact O-CB 3.46Å; M39-A43 PolarHBondContact O-N 3.41Å; A40-A43 PolarHBondContact O-N 2.89Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A41-A43 PolarHBondContact O-N 2.98Å; A43-T47 PolarHBondContact O-N 2.89Å; A43-T47 VanDerWaalsContact O-N 3.14Å; A43-T47 PolarHBondContact O-OG1 3.4Å
44V94.7Very high93.4Very high8 Ų835.4 Ų35.45%0.04820%0.201CC..Hα-helixtrans-65.1-48.4175.9177.30000110.8A40 A41 K42 N46 T47 M48 L78 A88 M91 V110A40-V44 WeakPolarHBondContact O-CG2 3.45Å; A40-V44 PolarHBondContact O-N 2.78Å; A41-V44 PolarHBondContact O-N 3.02Å; K42-V44 PolarHBondContact O-N 3.22Å; V44-N46 PolarHBondContact O-N 2.89Å; V44-T47 WeakPolarHBondContact O-CB 3.2Å; V44-T47 PolarHBondContact O-N 2.81Å; V44-M48 WeakPolarHBondContact O-CG 3.32Å; V44-M48 PolarHBondContact O-N 3.49Å; V44-M48 VanDerWaalsContact O-N 3.13Å; V44-L78 HydrophobicContact CG1-CD2 3.43Å; V44-L78 VanDerWaalsContact CG1-CD2 3.43Å; V44-A88 HydrophobicContact CG2-CB 3.68Å; V44-M91 HydrophobicContact CG1-CB 4.11Å; V44-V110 HydrophobicContact CG1-CG1 4.08Å
45A95Very high93.4Very high6 Ų638.2 Ų38.25%0.0522%0.216CC..Hα-helixtrans-61.2-42.5179.300000112.7A41 K42 T47 M48 R49A41-A45 WeakPolarHBondContact O-CB 3.17Å; A41-A45 PolarHBondContact O-N 3.42Å; K42-A45 PolarHBondContact O-N 2.68Å; A45-T47 VanDerWaalsContact C-N 3.29Å; A45-T47 PolarHBondContact O-N 3.39Å; A45-M48 PolarHBondContact O-N 2.94Å; A45-M48 VanDerWaalsContact O-N 3.12Å; A45-R49 PolarHBondContact O-N 3.25Å
46N93.9Very high93.3Very high75 Ų7535.3 Ų35.340%0.40121%0.205SC..Hα-helixtrans-63.3-35.7176.1-76.5-24.3000112.6K42 V44 M48 R49K42-N46 VanDerWaalsContact O-CB 3.28Å; K42-N46 WeakPolarHBondContact O-CB 3.44Å; K42-N46 PolarHBondContact O-N 2.67Å; K42-N46 PolarHBondContact O-ND2 3.47Å; V44-N46 PolarHBondContact O-N 2.89Å; N46-M48 VanDerWaalsContact C-N 3.29Å; N46-M48 PolarHBondContact O-N 3.14Å; N46-R49 PolarHBondContact O-N 3.46Å
47T93Very high93.2Very high56 Ų5639.6 Ų39.634%0.34423%0.225SC..Hα-helixtrans-62.8-41.4174.2-56.40000110.3A43 V44 A45 T50 K59 M81A43-T47 PolarHBondContact O-N 2.89Å; A43-T47 VanDerWaalsContact O-N 3.14Å; A43-T47 PolarHBondContact O-OG1 3.4Å; V44-T47 WeakPolarHBondContact O-CB 3.2Å; V44-T47 PolarHBondContact O-N 2.81Å; A45-T47 VanDerWaalsContact C-N 3.29Å; A45-T47 PolarHBondContact O-N 3.39Å; T47-T50 PolarHBondContact O-OG1 3.48Å; T47-K59 HydrophobicContact CG2-CD 4.47Å; T47-K59 WeakPolarHBondContact O-CE 3.35Å; T47-K59 PolarHBondContact O-NZ 3.16Å; T47-M81 HydrophobicContact CG2-CE 4.09Å; T47-M81 HydrophobicContact CG2-SD 4.19Å
48M93Very high93.1Very high0 Ų041.9 Ų41.90%024%0.237CC..Hα-helixtrans-77-27-179.2-66.1-46.8-55.600114.3V44 A45 N46 T50 S51 I77 L78 T107 V110 V111V44-M48 WeakPolarHBondContact O-CG 3.32Å; V44-M48 PolarHBondContact O-N 3.49Å; V44-M48 VanDerWaalsContact O-N 3.13Å; A45-M48 PolarHBondContact O-N 2.94Å; A45-M48 VanDerWaalsContact O-N 3.12Å; N46-M48 VanDerWaalsContact C-N 3.29Å; N46-M48 PolarHBondContact O-N 3.14Å; M48-T50 PolarHBondContact O-N 3.19Å; M48-T50 VanDerWaalsContact O-N 3.12Å; M48-S51 PolarHBondContact O-N 2.92Å; M48-I77 HydrophobicContact CE-CB 4.16Å; M48-I77 HydrophobicContact CE-CD1 3.86Å; M48-I77 HydrophobicContact CE-CG2 4.19Å; M48-I77 HydrophobicContact SD-CB 4.16Å; M48-I77 HydrophobicContact SD-CG2 3.59Å; M48-I77 VanDerWaalsContact SD-CG2 3.59Å; M48-L78 HydrophobicContact CG-CD1 4.22Å; M48-L78 HydrophobicContact CG-CD2 4.01Å; M48-L78 HydrophobicContact CG-CG 4.21Å; M48-L78 HydrophobicContact SD-CD1 4.44Å; M48-L78 HydrophobicContact SD-CD2 3.95Å; M48-L78 HydrophobicContact SD-CG 3.9Å; M48-T107 HydrophobicContact CB-CG2 4.24Å; M48-T107 HydrophobicContact CE-CG2 4.09Å; M48-T107 WeakPolarHBondContact O-CG2 3.5Å; M48-V110 HydrophobicContact CG-CG1 4.15Å; M48-V111 HydrophobicContact CB-CG2 4.38Å
49R93.2Very high93Very high56 Ų5643.4 Ų43.421%0.21124%0.244CC..Hα-helixtrans-53.1-37.2-174.8-168.6178-178.4-170.9-3.7113.8A45 N46 S51 L52 A461 E464 N465A45-R49 PolarHBondContact O-N 3.25Å; N46-R49 PolarHBondContact O-N 3.46Å; R49-S51 PolarHBondContact O-N 2.91Å; R49-L52 PolarHBondContact O-N 2.83Å; R49-A461 HydrophobicContact CG-CB 3.71Å; R49-E464 IonicContact CZ-OE1 2.86Å; R49-E464 IonicContact CZ-OE2 3.49Å; R49-E464 IonicContact NE-OE2 3.35Å; R49-E464 PolarHBondContact NE-OE2 2.69Å; R49-E464 IonicContact NH1-OE1 3Å; R49-E464 IonicContact NH1-OE2 3.44Å; R49-E464 PolarHBondContact NH1-OE2 3.27Å; R49-E464 IonicContact NH2-OE1 3.87Å; R49-E464 PolarHBondContact NH2-OE1 3.27Å; R49-E464 IonicContact NH2-OE2 2.7Å; R49-E464 PolarHBondContact NH2-OE2 3.14Å; R49-N465 PolarHBondContact O-ND2 2.74Å
50T93.9Very high92.9Very high74 Ų7443.1 Ų43.145%0.45424%0.242SC..THydrogen-bonded Turntrans-73.4-9.1-178.556.50000114.6T47 M48 G56 L57 K59T47-T50 PolarHBondContact O-OG1 3.48Å; M48-T50 PolarHBondContact O-N 3.19Å; M48-T50 VanDerWaalsContact O-N 3.12Å; T50-G56 WeakPolarHBondContact O-CA 3.49Å; T50-L57 PolarHBondContact O-N 3.45Å; T50-K59 PolarHBondContact OG1-NZ 2.95Å
51S92.8Very high92.8Very high1 Ų143.9 Ų43.91%0.00724%0.243CC..THydrogen-bonded Turntrans-100.2-1.9177.3-58.60000112.4M48 R49 L57 K59 N72M48-S51 PolarHBondContact O-N 2.92Å; R49-S51 PolarHBondContact O-N 2.91Å; S51-L57 WeakPolarHBondContact CA-O 3.43Å; S51-L57 WeakPolarHBondContact CB-O 3.35Å; S51-L57 PolarHBondContact OG-O 3.27Å; S51-K59 WeakPolarHBondContact OG-CE 3.48Å; S51-K59 PolarHBondContact OG-NZ 2.95Å; S51-N72 PolarHBondContact O-OD1 3.34Å; S51-N72 VanDerWaalsContact O-OD1 3.11Å
52L92.7Very high92.7Very high22 Ų2248.3 Ų48.312%0.11527%0.271CS..  trans-80.8130.2-177.8-171.271.6000112.5R49 T107 I458 A461 L462 N465R49-L52 PolarHBondContact O-N 2.83Å; L52-T107 HydrophobicContact CB-CG2 4.16Å; L52-T107 HydrophobicContact CD1-CG2 4.07Å; L52-I458 HydrophobicContact CD2-CD1 4.23Å; L52-I458 HydrophobicContact CD2-CG2 4.3Å; L52-A461 HydrophobicContact CD2-CB 3.95Å; L52-L462 HydrophobicContact CD2-CD2 4.38Å; L52-L462 HydrophobicContact CD2-CG 4.48Å; L52-L462 HydrophobicContact CG-CD2 4.07Å; L52-N465 PolarHBondContact O-ND2 3.49Å
53G90.8Very high92.5Very high15 Ų1550.1 Ų50.116%0.15528%0.283CS..SBendtrans94.9175.9171.700000114.7N55 G56 S175G53-N55 PolarHBondContact O-N 3.35Å; G53-G56 PolarHBondContact O-N 2.98Å; G53-S175 WeakPolarHBondContact O-CB 2.95Å
54P89.1Confident92.3Very high43 Ų4355.6 Ų55.628%0.27930%0.297SS..THydrogen-bonded Turntrans-65.9-25.8-174.526.6-34.9000114.1C493 L494P54-C493 HydrophobicContact CG-CB 3.51Å; P54-L494 HydrophobicContact CB-CD2 4.23Å; P54-L494 HydrophobicContact CG-CD2 4.41Å
55N91.1Very high92.1Very high64 Ų6462.1 Ų62.134%0.34233%0.331SS..THydrogen-bonded Turntrans-98.710173.8-60.3-38.8000112.4G53 N465 S466 C493G53-N55 PolarHBondContact O-N 3.35Å; N55-N465 WeakPolarHBondContact CB-O 3.4Å; N55-S466 PolarHBondContact ND2-OG 3Å; N55-S466 VanDerWaalsContact ND2-OG 3.12Å; N55-C493 PolarHBondContact ND2-O 2.76Å
56G90.2Very high91.9Very high9 Ų964 Ų649%0.09335%0.351CS..PPolyproline II helixtrans-66146.2172.600000110.8T50 G53T50-G56 WeakPolarHBondContact O-CA 3.49Å; G53-G56 PolarHBondContact O-N 2.98Å
57L91.8Very high91.7Very high130 Ų13065.2 Ų65.268%0.68136%0.358SS*.PPolyproline II helixtrans-103.6148.1-178.3-63.3177.3000112.1T50 S51T50-L57 PolarHBondContact O-N 3.45Å; S51-L57 WeakPolarHBondContact CA-O 3.43Å; S51-L57 WeakPolarHBondContact CB-O 3.35Å; S51-L57 PolarHBondContact OG-O 3.27Å
58D91.9Very high91.7Very high53 Ų5365.4 Ų65.428%0.28336%0.359SS..PPolyproline II helixtrans-73.2157.2176.7-55.8-6.7000111.2V70 T71 N72 V177D58-V70 HydrophobicContact CB-CG1 3.77Å; D58-T71 WeakPolarHBondContact CA-O 3.17Å; D58-T71 WeakPolarHBondContact CB-O 3.34Å; D58-N72 VanDerWaalsContact OD1-CB 3.24Å; D58-N72 WeakPolarHBondContact OD1-CB 3.31Å; D58-N72 PolarHBondContact OD1-ND2 2.91Å; D58-V177 WeakPolarHBondContact OD2-CG2 3.47Å
59K92.5Very high91.6Very high33 Ų3366.7 Ų66.714%0.14337%0.367CS..EExtended strand (participates in β ladder)trans-109.9137.5173.6-54.6-164.7-161-53.20110.4T47 T50 S51 M61 V70 T71 I77T47-K59 HydrophobicContact CG2-CD 4.47Å; T47-K59 WeakPolarHBondContact O-CE 3.35Å; T47-K59 PolarHBondContact O-NZ 3.16Å; T50-K59 PolarHBondContact OG1-NZ 2.95Å; S51-K59 WeakPolarHBondContact OG-CE 3.48Å; S51-K59 PolarHBondContact OG-NZ 2.95Å; K59-M61 HydrophobicContact CB-SD 4.36Å; K59-V70 WeakPolarHBondContact O-CA 3.42Å; K59-T71 PolarHBondContact N-O 3.16Å; K59-T71 PolarHBondContact O-N 2.93Å; K59-I77 HydrophobicContact CB-CD1 4.17Å; K59-I77 HydrophobicContact CB-CG1 4.28Å; K59-I77 HydrophobicContact CD-CD1 4.09Å; K59-I77 HydrophobicContact CD-CG2 3.81Å; K59-I77 HydrophobicContact CG-CD1 3.91Å; K59-I77 HydrophobicContact CG-CG1 4.48Å
60M93.4Very high91.5Very high131 Ų13165.7 Ų65.765%0.64537%0.367SS*.EExtended strand (participates in β ladder)trans-88.4112.5169.7-176.6179.4-69.300108.7V68 V70M60-V68 HydrophobicContact CG-CG1 3.73Å; M60-V68 HydrophobicContact SD-CG1 4.13Å; M60-V70 HydrophobicContact CB-CG2 4.32Å; M60-V70 HydrophobicContact CE-CG2 4.19Å; M60-V70 HydrophobicContact CG-CG2 4.24Å
61M92.3Very high91.3Very high32 Ų3262.2 Ų62.216%0.15835%0.345CS..EExtended strand (participates in β ladder)trans-104.1135.7176.2-58.2-55.9-67.700108.9K59 V68 T69 I77 M80 M81K59-M61 HydrophobicContact CB-SD 4.36Å; M61-V68 WeakPolarHBondContact O-CA 3.35Å; M61-T69 PolarHBondContact N-O 3.1Å; M61-T69 PolarHBondContact O-N 3.29Å; M61-I77 HydrophobicContact SD-CG2 4.46Å; M61-M80 HydrophobicContact CB-CB 4.12Å; M61-M80 HydrophobicContact CB-SD 3.75Å; M61-M80 HydrophobicContact CE-CB 3.82Å; M61-M80 HydrophobicContact CG-CB 4.18Å; M61-M80 HydrophobicContact CG-SD 4.17Å; M61-M81 HydrophobicContact CE-CB 4.43Å; M61-M81 HydrophobicContact CE-CG 3.56Å
62V92.7Very high91.2Very high94 Ų9462.5 Ų62.557%0.5735%0.347SS*.EExtended strand (participates in β ladder)trans-120.5119176-175.30000107.3D67 V68V62-D67 WeakPolarHBondContact CA-O 3.47Å; V62-V68 HydrophobicContact CG2-CG2 4.36Å
63D89.5Confident91Very high97 Ų9761.8 Ų61.852%0.51934%0.343SS..  trans-76.4169177.3-160.71.5000111.3D65 G66 D67D63-D65 PolarHBondContact O-N 2.84Å; D63-G66 PolarHBondContact O-N 3.25Å; D63-D67 PolarHBondContact N-O 2.95Å
64K90.2Very high91Very high169 Ų16961.1 Ų61.174%0.73534%0.336SS*.THydrogen-bonded Turntrans-58.4-29.5176.5-63.4179.2-178177.30112.3G66 D82K64-G66 VanDerWaalsContact C-N 3.29Å; K64-D82 VanDerWaalsContact CE-OD2 3.24Å; K64-D82 WeakPolarHBondContact CE-OD2 3.47Å; K64-D82 IonicContact NZ-OD2 2.76Å; K64-D82 PolarHBondContact NZ-OD2 3.39Å
65D91.9Very high91Very high144 Ų14459.3 Ų59.377%0.7733%0.325SS*.THydrogen-bonded Turntrans-81-6.5175.7-67.3-34.5000113.5D63D63-D65 PolarHBondContact O-N 2.84Å
66G89.8Confident91Very high46 Ų4657.2 Ų57.247%0.47431%0.314SS..  trans87.15.4-179.100000114.9D63 K64 V68D63-G66 PolarHBondContact O-N 3.25Å; K64-G66 VanDerWaalsContact C-N 3.29Å; G66-V68 PolarHBondContact O-N 2.91Å
67D89.7Confident91.1Very high101 Ų10156.8 Ų56.854%0.5431%0.31SS..  trans-68.5129.2173.6-87.6-23.3000110.9V62 D63V62-D67 WeakPolarHBondContact CA-O 3.47Å; D63-D67 PolarHBondContact N-O 2.95Å
68V92.7Very high91.2Very high59 Ų5950.7 Ų50.736%0.35828%0.278SS..EExtended strand (participates in β ladder)trans-99.5122.7-177.8-175.20000110M60 M61 V62 G66 V70 M393M60-V68 HydrophobicContact CG-CG1 3.73Å; M60-V68 HydrophobicContact SD-CG1 4.13Å; M61-V68 WeakPolarHBondContact O-CA 3.35Å; V62-V68 HydrophobicContact CG2-CG2 4.36Å; G66-V68 PolarHBondContact O-N 2.91Å; V68-V70 HydrophobicContact CG1-CG2 4.49Å; V68-M393 HydrophobicContact CB-SD 4.44Å; V68-M393 HydrophobicContact CG1-SD 4.09Å
69T90.3Very high91.2Very high27 Ų2750.9 Ų50.917%0.16628%0.283CS..EExtended strand (participates in β ladder)trans-116.6130.6171.7-60.70000109.6M61 T71 M80M61-T69 PolarHBondContact N-O 3.1Å; M61-T69 PolarHBondContact O-N 3.29Å; T69-T71 HydrophobicContact CG2-CG2 4.1Å; T69-M80 HydrophobicContact CG2-CE 3.85Å; T69-M80 HydrophobicContact CG2-SD 3.99Å; T69-M80 WeakPolarHBondContact OG1-CE 3.44Å
70V92.4Very high91.1Very high36 Ų3652.9 Ų52.922%0.21829%0.294CS..EExtended strand (participates in β ladder)trans-114.1121.6170.7-177.50000107.2D58 K59 M60 V68 M393D58-V70 HydrophobicContact CB-CG1 3.77Å; K59-V70 WeakPolarHBondContact O-CA 3.42Å; M60-V70 HydrophobicContact CB-CG2 4.32Å; M60-V70 HydrophobicContact CE-CG2 4.19Å; M60-V70 HydrophobicContact CG-CG2 4.24Å; V68-V70 HydrophobicContact CG1-CG2 4.49Å; V70-M393 HydrophobicContact CG2-SD 4.06Å
71T90.4Very high90.8Very high0 Ų048.9 Ų48.90%027%0.274CS..EExtended strand (participates in β ladder)trans-151.7150-173.8-175.10000112.2D58 K59 T69 D73 T76 I77 E397D58-T71 WeakPolarHBondContact CA-O 3.17Å; D58-T71 WeakPolarHBondContact CB-O 3.34Å; K59-T71 PolarHBondContact N-O 3.16Å; K59-T71 PolarHBondContact O-N 2.93Å; T69-T71 HydrophobicContact CG2-CG2 4.1Å; T71-D73 PolarHBondContact OG1-N 2.66Å; T71-D73 VanDerWaalsContact OG1-N 3.13Å; T71-T76 HydrophobicContact CG2-CG2 3.83Å; T71-I77 HydrophobicContact CG2-CG1 3.71Å; T71-E397 VanDerWaalsContact CA-OE2 3.29Å; T71-E397 WeakPolarHBondContact CA-OE2 3.49Å; T71-E397 WeakPolarHBondContact CB-OE2 3.4Å; T71-E397 PolarHBondContact OG1-OE1 3.49Å; T71-E397 PolarHBondContact OG1-OE2 2.95Å
72N89.7Confident90.6Very high7 Ų752.9 Ų52.94%0.03730%0.296CS..  trans-94.6-18169.3-156.3-83.3000112.3S51 D58 G74 S175 E397S51-N72 PolarHBondContact O-OD1 3.34Å; S51-N72 VanDerWaalsContact O-OD1 3.11Å; D58-N72 VanDerWaalsContact OD1-CB 3.24Å; D58-N72 WeakPolarHBondContact OD1-CB 3.31Å; D58-N72 PolarHBondContact OD1-ND2 2.91Å; N72-G74 PolarHBondContact O-N 3.02Å; N72-S175 PolarHBondContact ND2-O 2.89Å; N72-E397 PolarHBondContact N-OE1 2.88Å; N72-E397 VanDerWaalsContact N-OE1 3.16Å
73D88.5Confident90.4Very high8 Ų849.8 Ų49.84%0.04328%0.277CS..  trans-69.5123.1-172.8168.743.4000111.4T71 A75 T76 I77 T106T71-D73 PolarHBondContact OG1-N 2.66Å; T71-D73 VanDerWaalsContact OG1-N 3.13Å; D73-A75 VanDerWaalsContact C-N 3.34Å; D73-A75 PolarHBondContact O-N 2.83Å; D73-A75 PolarHBondContact OD1-N 3.45Å; D73-T76 PolarHBondContact O-N 3.42Å; D73-T76 VanDerWaalsContact OD2-CB 3.25Å; D73-T76 WeakPolarHBondContact OD2-CB 3.2Å; D73-T76 PolarHBondContact OD2-N 2.89Å; D73-T76 PolarHBondContact OD2-OG1 3.25Å; D73-I77 WeakPolarHBondContact O-CD1 3.04Å; D73-I77 VanDerWaalsContact O-CG1 3.23Å; D73-I77 WeakPolarHBondContact O-CG1 3.48Å; D73-I77 PolarHBondContact O-N 2.98Å; D73-T106 PolarHBondContact OD1-OG1 3.31Å
74G90Very high90.3Very high0 Ų051.7 Ų51.70%029%0.288CS..Hα-helixtrans-65.5-35.2-176.400000114N72 L78 T106 T107N72-G74 PolarHBondContact O-N 3.02Å; G74-L78 VanDerWaalsContact O-CB 3.3Å; G74-L78 WeakPolarHBondContact O-CB 3.28Å; G74-L78 VanDerWaalsContact O-CG 3.25Å; G74-L78 WeakPolarHBondContact O-CG 3.38Å; G74-L78 PolarHBondContact O-N 3.37Å; G74-T106 PolarHBondContact N-OG1 3.03Å; G74-T107 WeakPolarHBondContact CA-OG1 3.02Å; G74-T107 PolarHBondContact N-OG1 3.46Å
75A90.6Very high90.3Very high5 Ų545.9 Ų45.94%0.04126%0.263CS..Hα-helixtrans-67.3-44.5178.400000110.6D73 L78 S79 S95 D99 T106D73-A75 VanDerWaalsContact C-N 3.34Å; D73-A75 PolarHBondContact O-N 2.83Å; D73-A75 PolarHBondContact OD1-N 3.45Å; A75-L78 PolarHBondContact O-N 3.25Å; A75-S79 VanDerWaalsContact O-CB 3.29Å; A75-S79 WeakPolarHBondContact O-CB 3.47Å; A75-S79 PolarHBondContact O-N 2.89Å; A75-S79 PolarHBondContact O-OG 3.35Å; A75-S95 VanDerWaalsContact CA-OG 3.3Å; A75-S95 WeakPolarHBondContact CA-OG 3.4Å; A75-S95 PolarHBondContact N-OG 2.93Å; A75-D99 HydrophobicContact CB-CB 3.95Å; A75-T106 HydrophobicContact CB-CG2 3.82Å
76T90.6Very high90.3Very high20 Ų2044.7 Ų44.712%0.12325%0.253CS..Hα-helixtrans-62-49.8175.6-58.60000111.4T71 D73 L78 S79 M80T71-T76 HydrophobicContact CG2-CG2 3.83Å; D73-T76 PolarHBondContact O-N 3.42Å; D73-T76 VanDerWaalsContact OD2-CB 3.25Å; D73-T76 WeakPolarHBondContact OD2-CB 3.2Å; D73-T76 PolarHBondContact OD2-N 2.89Å; D73-T76 PolarHBondContact OD2-OG1 3.25Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 2.93Å; T76-S79 PolarHBondContact O-N 3.41Å; T76-S79 PolarHBondContact O-OG 3.33Å; T76-M80 HydrophobicContact CG2-CE 3.82Å; T76-M80 HydrophobicContact CG2-SD 4.13Å; T76-M80 WeakPolarHBondContact O-CG 3.48Å; T76-M80 PolarHBondContact O-N 3.48Å; T76-M80 VanDerWaalsContact O-N 3.14Å
77I93Very high90.5Very high0 Ų042.6 Ų42.60%023%0.231CC..Hα-helixtrans-54.7-51.5178.6-69.6164.5000110.5M48 K59 M61 T71 D73 S79 M80 M81M48-I77 HydrophobicContact CE-CB 4.16Å; M48-I77 HydrophobicContact CE-CD1 3.86Å; M48-I77 HydrophobicContact CE-CG2 4.19Å; M48-I77 HydrophobicContact SD-CB 4.16Å; M48-I77 HydrophobicContact SD-CG2 3.59Å; M48-I77 VanDerWaalsContact SD-CG2 3.59Å; K59-I77 HydrophobicContact CB-CD1 4.17Å; K59-I77 HydrophobicContact CB-CG1 4.28Å; K59-I77 HydrophobicContact CD-CD1 4.09Å; K59-I77 HydrophobicContact CD-CG2 3.81Å; K59-I77 HydrophobicContact CG-CD1 3.91Å; K59-I77 HydrophobicContact CG-CG1 4.48Å; M61-I77 HydrophobicContact SD-CG2 4.46Å; T71-I77 HydrophobicContact CG2-CG1 3.71Å; D73-I77 WeakPolarHBondContact O-CD1 3.04Å; D73-I77 VanDerWaalsContact O-CG1 3.23Å; D73-I77 WeakPolarHBondContact O-CG1 3.48Å; D73-I77 PolarHBondContact O-N 2.98Å; I77-S79 VanDerWaalsContact C-N 3.32Å; I77-S79 PolarHBondContact O-N 3.24Å; I77-M80 PolarHBondContact O-N 3.4Å; I77-M81 HydrophobicContact CG2-SD 4.15Å; I77-M81 WeakPolarHBondContact O-CG 3.44Å; I77-M81 PolarHBondContact O-N 2.86Å; I77-M81 VanDerWaalsContact O-N 3.16Å
78L92.8Very high90.6Very high3 Ų338 Ų382%0.01621%0.207CC..Hα-helixtrans-68.3-30.5-177-72.4173.7000113V44 M48 G74 A75 T76 M80 M81 V92 V110V44-L78 HydrophobicContact CG1-CD2 3.43Å; V44-L78 VanDerWaalsContact CG1-CD2 3.43Å; M48-L78 HydrophobicContact CG-CD1 4.22Å; M48-L78 HydrophobicContact CG-CD2 4.01Å; M48-L78 HydrophobicContact CG-CG 4.21Å; M48-L78 HydrophobicContact SD-CD1 4.44Å; M48-L78 HydrophobicContact SD-CD2 3.95Å; M48-L78 HydrophobicContact SD-CG 3.9Å; G74-L78 VanDerWaalsContact O-CB 3.3Å; G74-L78 WeakPolarHBondContact O-CB 3.28Å; G74-L78 VanDerWaalsContact O-CG 3.25Å; G74-L78 WeakPolarHBondContact O-CG 3.38Å; G74-L78 PolarHBondContact O-N 3.37Å; A75-L78 PolarHBondContact O-N 3.25Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 2.93Å; L78-M80 VanDerWaalsContact C-N 3.31Å; L78-M81 HydrophobicContact CD2-SD 4.05Å; L78-M81 PolarHBondContact O-N 3.1Å; L78-V92 HydrophobicContact CB-CB 4.38Å; L78-V92 HydrophobicContact CB-CG1 4.11Å; L78-V92 HydrophobicContact CB-CG2 4.07Å; L78-V92 WeakPolarHBondContact O-CG1 3.08Å; L78-V92 WeakPolarHBondContact O-CG2 3.41Å; L78-V110 HydrophobicContact CD1-CB 4.42Å; L78-V110 HydrophobicContact CD1-CG1 4.17Å; L78-V110 HydrophobicContact CD1-CG2 3.65Å
79S91.6Very high90.7Very high56 Ų5639.5 Ų39.539%0.39221%0.209SC..Hα-helixtrans-69.6-28.9175.376.10000113.4A75 T76 I77A75-S79 VanDerWaalsContact O-CB 3.29Å; A75-S79 WeakPolarHBondContact O-CB 3.47Å; A75-S79 PolarHBondContact O-N 2.89Å; A75-S79 PolarHBondContact O-OG 3.35Å; T76-S79 PolarHBondContact O-N 3.41Å; T76-S79 PolarHBondContact O-OG 3.33Å; I77-S79 VanDerWaalsContact C-N 3.32Å; I77-S79 PolarHBondContact O-N 3.24Å
80M90.4Very high90.9Very high75 Ų7539.8 Ų39.837%0.36921%0.209SC..Hα-helixtrans-88.1-15.6179-68.2-177.8174.100112.8M61 T69 T76 I77 L78 D82M61-M80 HydrophobicContact CB-CB 4.12Å; M61-M80 HydrophobicContact CB-SD 3.75Å; M61-M80 HydrophobicContact CE-CB 3.82Å; M61-M80 HydrophobicContact CG-CB 4.18Å; M61-M80 HydrophobicContact CG-SD 4.17Å; T69-M80 HydrophobicContact CG2-CE 3.85Å; T69-M80 HydrophobicContact CG2-SD 3.99Å; T69-M80 WeakPolarHBondContact OG1-CE 3.44Å; T76-M80 HydrophobicContact CG2-CE 3.82Å; T76-M80 HydrophobicContact CG2-SD 4.13Å; T76-M80 WeakPolarHBondContact O-CG 3.48Å; T76-M80 PolarHBondContact O-N 3.48Å; T76-M80 VanDerWaalsContact O-N 3.14Å; I77-M80 PolarHBondContact O-N 3.4Å; L78-M80 VanDerWaalsContact C-N 3.31Å; M80-D82 PolarHBondContact O-N 3.05Å
81M88.6Confident91Very high48 Ų4838.1 Ų38.124%0.23620%0.199CC..SBendtrans-74.8120.8175.1-74179.469.900110.4T47 M61 I77 L78 V83T47-M81 HydrophobicContact CG2-CE 4.09Å; T47-M81 HydrophobicContact CG2-SD 4.19Å; M61-M81 HydrophobicContact CE-CB 4.43Å; M61-M81 HydrophobicContact CE-CG 3.56Å; I77-M81 HydrophobicContact CG2-SD 4.15Å; I77-M81 WeakPolarHBondContact O-CG 3.44Å; I77-M81 PolarHBondContact O-N 2.86Å; I77-M81 VanDerWaalsContact O-N 3.16Å; L78-M81 HydrophobicContact CD2-SD 4.05Å; L78-M81 PolarHBondContact O-N 3.1Å; M81-V83 PolarHBondContact O-N 2.86Å; M81-V83 VanDerWaalsContact O-N 3.14Å
82D87.8Confident91.2Very high115 Ų11538.8 Ų38.862%0.61520%0.203SC*.  trans-76.998.3172.5-156.4-0000109.5K64 M80K64-D82 VanDerWaalsContact CE-OD2 3.24Å; K64-D82 WeakPolarHBondContact CE-OD2 3.47Å; K64-D82 IonicContact NZ-OD2 2.76Å; K64-D82 PolarHBondContact NZ-OD2 3.39Å; M80-D82 PolarHBondContact O-N 3.05Å
83V87.9Confident91.4Very high29 Ų2943.8 Ų43.818%0.17623%0.226CC..  trans-110.8116.3-177.3-88.80000112.1M81 A88 K89 V92M81-V83 PolarHBondContact O-N 2.86Å; M81-V83 VanDerWaalsContact O-N 3.14Å; V83-A88 HydrophobicContact CB-CB 3.85Å; V83-A88 HydrophobicContact CG1-CB 3.82Å; V83-A88 HydrophobicContact CG2-CB 4.34Å; V83-K89 HydrophobicContact CG2-CG 4.33Å; V83-K89 WeakPolarHBondContact O-CE 3.35Å; V83-V92 HydrophobicContact CG2-CG2 3.85Å
84D87.8Confident91.7Very high138 Ų13843.5 Ų43.574%0.73823%0.225SC*.  trans-77.2-33.1178.2-65.7-40.6000113.5Q86D84-Q86 PolarHBondContact O-N 3.22Å; D84-Q86 PolarHBondContact O-NE2 2.9Å
85H90Very high92Very high46 Ų4643.5 Ų43.521%0.21323%0.225CC..SBendtrans-71.2126.5-173.9-165.9-78.4000111.1H37 A40 I87 A88 K89H37-H85 AromaticContact ND1-CE1 3.78Å; A40-H85 HydrophobicContact CB-CB 4.32Å; A40-H85 VanDerWaalsContact CB-CE1 3.44Å; A40-H85 WeakPolarHBondContact CB-CE1 3.49Å; A40-H85 VanDerWaalsContact CB-ND1 3.33Å; A40-H85 WeakPolarHBondContact CB-ND1 3.02Å; H85-I87 VanDerWaalsContact C-N 3.31Å; H85-I87 WeakPolarHBondContact ND1-CB 3.32Å; H85-I87 PolarHBondContact ND1-N 3.47Å; H85-I87 VanDerWaalsContact ND1-N 3.19Å; H85-I87 PolarHBondContact O-N 2.88Å; H85-A88 HydrophobicContact CB-CB 4.11Å; H85-A88 WeakPolarHBondContact O-CA 3.42Å; H85-A88 VanDerWaalsContact O-CB 3.31Å; H85-A88 WeakPolarHBondContact O-CB 3.23Å; H85-A88 PolarHBondContact O-N 3.21Å; H85-K89 PolarHBondContact O-N 3.49Å; H85-K89 VanDerWaalsContact O-N 3.07Å
86Q91.9Very high92.1Very high119 Ų11947.7 Ų47.756%0.55624%0.242SC*.Hα-helixtrans-60.3-37.9-174.1-59.6-57.5-49.600113.2D84 A88 K89 L90D84-Q86 PolarHBondContact O-N 3.22Å; D84-Q86 PolarHBondContact O-NE2 2.9Å; Q86-A88 VanDerWaalsContact C-N 3.3Å; Q86-A88 PolarHBondContact O-N 3.38Å; Q86-K89 WeakPolarHBondContact O-CB 3.31Å; Q86-K89 PolarHBondContact O-N 2.65Å; Q86-L90 PolarHBondContact O-N 2.8Å
87I93Very high92.4Very high3 Ų349.3 Ų49.32%0.01525%0.254CS..Hα-helixtrans-66-33.8174-55.3-57.1000112H37 A41 H85 K89 L90 M91 I527 I530H37-I87 HydrophobicContact CB-CD1 4.37Å; H37-I87 HydrophobicContact CB-CG1 3.81Å; H37-I87 WeakPolarHBondContact ND1-CG1 3.46Å; A41-I87 HydrophobicContact CB-CG2 4.11Å; H85-I87 VanDerWaalsContact C-N 3.31Å; H85-I87 WeakPolarHBondContact ND1-CB 3.32Å; H85-I87 PolarHBondContact ND1-N 3.47Å; H85-I87 VanDerWaalsContact ND1-N 3.19Å; H85-I87 PolarHBondContact O-N 2.88Å; I87-K89 VanDerWaalsContact C-N 3.33Å; I87-L90 HydrophobicContact CD1-CD1 3.91Å; I87-L90 WeakPolarHBondContact O-CB 3.5Å; I87-L90 PolarHBondContact O-N 3.33Å; I87-M91 WeakPolarHBondContact O-CG 3.44Å; I87-M91 PolarHBondContact O-N 3.39Å; I87-M91 VanDerWaalsContact O-N 3.07Å; I87-I527 HydrophobicContact CD1-CG1 4.31Å; I87-I527 HydrophobicContact CD1-CG2 4.28Å; I87-I527 HydrophobicContact CG2-CD1 3.84Å; I87-I527 HydrophobicContact CG2-CG1 4.23Å; I87-I527 HydrophobicContact CG2-CG2 4.26Å; I87-I530 HydrophobicContact CD1-CD1 4.17Å
88A93.3Very high92.4Very high4 Ų449.3 Ų49.33%0.03325%0.254CS..Hα-helixtrans-66.4-39.9175.100000110.4V44 V83 H85 Q86 L90 M91 V92V44-A88 HydrophobicContact CG2-CB 3.68Å; V83-A88 HydrophobicContact CB-CB 3.85Å; V83-A88 HydrophobicContact CG1-CB 3.82Å; V83-A88 HydrophobicContact CG2-CB 4.34Å; H85-A88 HydrophobicContact CB-CB 4.11Å; H85-A88 WeakPolarHBondContact O-CA 3.42Å; H85-A88 VanDerWaalsContact O-CB 3.31Å; H85-A88 WeakPolarHBondContact O-CB 3.23Å; H85-A88 PolarHBondContact O-N 3.21Å; Q86-A88 VanDerWaalsContact C-N 3.3Å; Q86-A88 PolarHBondContact O-N 3.38Å; A88-L90 VanDerWaalsContact C-N 3.33Å; A88-L90 PolarHBondContact O-N 3.39Å; A88-M91 WeakPolarHBondContact O-CB 3.43Å; A88-M91 PolarHBondContact O-N 3.08Å; A88-V92 WeakPolarHBondContact O-CG2 3.13Å; A88-V92 PolarHBondContact O-N 3.48Å
89K93.9Very high92.5Very high90 Ų9050.7 Ų50.739%0.39126%0.261SS..Hα-helixtrans-58.5-41.8172.1-61.8-172.7179.5-169.20112.5V83 H85 Q86 I87 M91 V92 E93V83-K89 HydrophobicContact CG2-CG 4.33Å; V83-K89 WeakPolarHBondContact O-CE 3.35Å; H85-K89 PolarHBondContact O-N 3.49Å; H85-K89 VanDerWaalsContact O-N 3.07Å; Q86-K89 WeakPolarHBondContact O-CB 3.31Å; Q86-K89 PolarHBondContact O-N 2.65Å; I87-K89 VanDerWaalsContact C-N 3.33Å; K89-M91 VanDerWaalsContact C-N 3.3Å; K89-M91 PolarHBondContact O-N 2.79Å; K89-V92 WeakPolarHBondContact O-CB 3.31Å; K89-V92 PolarHBondContact O-N 3.35Å; K89-V92 VanDerWaalsContact O-N 3.1Å; K89-E93 PolarHBondContact O-N 2.95Å
90L94.9Very high92.5Very high34 Ų3453.9 Ų53.918%0.17827%0.274CS..Hα-helixtrans-60.7-37.5173.5-69.3175.5000112.6Q86 I87 A88 V92 E93 L94 M523 M526 I527Q86-L90 PolarHBondContact O-N 2.8Å; I87-L90 HydrophobicContact CD1-CD1 3.91Å; I87-L90 WeakPolarHBondContact O-CB 3.5Å; I87-L90 PolarHBondContact O-N 3.33Å; A88-L90 VanDerWaalsContact C-N 3.33Å; A88-L90 PolarHBondContact O-N 3.39Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-E93 PolarHBondContact O-N 2.95Å; L90-L94 PolarHBondContact O-N 3.37Å; L90-M523 HydrophobicContact CB-CE 4.38Å; L90-M523 HydrophobicContact CB-SD 3.89Å; L90-M523 WeakPolarHBondContact O-CE 3.39Å; L90-M526 HydrophobicContact CD1-CE 3.91Å; L90-M526 HydrophobicContact CD2-CE 3.76Å; L90-M526 HydrophobicContact CG-CE 4.38Å; L90-I527 HydrophobicContact CD1-CG1 4.44Å
91M94.6Very high92.5Very high0 Ų055.9 Ų55.90%028%0.282CS..Hα-helixtrans-67.4-33.7174.1-61.6-65.9-68.200112.2A41 V44 I87 A88 K89 L94 S95 V110 A113 I527A41-M91 HydrophobicContact CB-CG 4.21Å; A41-M91 HydrophobicContact CB-SD 4.18Å; V44-M91 HydrophobicContact CG1-CB 4.11Å; I87-M91 WeakPolarHBondContact O-CG 3.44Å; I87-M91 PolarHBondContact O-N 3.39Å; I87-M91 VanDerWaalsContact O-N 3.07Å; A88-M91 WeakPolarHBondContact O-CB 3.43Å; A88-M91 PolarHBondContact O-N 3.08Å; K89-M91 VanDerWaalsContact C-N 3.3Å; K89-M91 PolarHBondContact O-N 2.79Å; M91-L94 HydrophobicContact CE-CD2 4.4Å; M91-L94 WeakPolarHBondContact O-CB 3.4Å; M91-L94 PolarHBondContact O-N 3.22Å; M91-L94 HydrophobicContact SD-CD2 4.39Å; M91-S95 PolarHBondContact O-N 2.98Å; M91-V110 HydrophobicContact CE-CB 4.39Å; M91-V110 HydrophobicContact CE-CG1 3.75Å; M91-V110 WeakPolarHBondContact CE-O 3.33Å; M91-A113 HydrophobicContact CE-CB 3.66Å; M91-A113 HydrophobicContact SD-CB 4.19Å; M91-I527 HydrophobicContact SD-CD1 4.36Å
92V94.4Very high92.7Very high14 Ų1453.8 Ų53.89%0.08527%0.272CS..Hα-helixtrans-64.2-46.2172-178.60000110.5L78 V83 A88 K89 L90 L94 S95 K96L78-V92 HydrophobicContact CB-CB 4.38Å; L78-V92 HydrophobicContact CB-CG1 4.11Å; L78-V92 HydrophobicContact CB-CG2 4.07Å; L78-V92 WeakPolarHBondContact O-CG1 3.08Å; L78-V92 WeakPolarHBondContact O-CG2 3.41Å; V83-V92 HydrophobicContact CG2-CG2 3.85Å; A88-V92 WeakPolarHBondContact O-CG2 3.13Å; A88-V92 PolarHBondContact O-N 3.48Å; K89-V92 WeakPolarHBondContact O-CB 3.31Å; K89-V92 PolarHBondContact O-N 3.35Å; K89-V92 VanDerWaalsContact O-N 3.1Å; L90-V92 VanDerWaalsContact C-N 3.34Å; V92-L94 VanDerWaalsContact C-N 3.32Å; V92-L94 PolarHBondContact O-N 3.06Å; V92-S95 PolarHBondContact O-N 3.42Å; V92-K96 HydrophobicContact CG1-CD 4.43Å; V92-K96 PolarHBondContact O-N 3.41Å
93E94.3Very high92.7Very high112 Ų11248.3 Ų48.352%0.52324%0.243SC..Hα-helixtrans-63.2-36.9177.4-71177.1-179.600112.4K89 L90 S95 K96 S97K89-E93 PolarHBondContact O-N 2.95Å; L90-E93 PolarHBondContact O-N 2.95Å; E93-S95 PolarHBondContact O-N 2.82Å; E93-K96 PolarHBondContact O-N 3.33Å; E93-S97 WeakPolarHBondContact O-CB 3.26Å; E93-S97 PolarHBondContact O-N 3.44Å; E93-S97 PolarHBondContact O-OG 2.85Å
94L95.4Very high92.7Very high3 Ų348.8 Ų48.82%0.01624%0.244CC..Hα-helixtrans-57.3-48.2172.7176.963.4000111.4L90 M91 V92 S97 Q98 V109 A113 L519 M523L90-L94 PolarHBondContact O-N 3.37Å; M91-L94 HydrophobicContact CE-CD2 4.4Å; M91-L94 WeakPolarHBondContact O-CB 3.4Å; M91-L94 PolarHBondContact O-N 3.22Å; M91-L94 HydrophobicContact SD-CD2 4.39Å; V92-L94 VanDerWaalsContact C-N 3.32Å; V92-L94 PolarHBondContact O-N 3.06Å; L94-S97 PolarHBondContact O-N 2.96Å; L94-Q98 PolarHBondContact O-N 3.27Å; L94-Q98 VanDerWaalsContact O-N 3.16Å; L94-V109 HydrophobicContact CD1-CG2 3.84Å; L94-V109 HydrophobicContact CD2-CG2 4.08Å; L94-V109 HydrophobicContact CG-CG1 4.27Å; L94-V109 HydrophobicContact CG-CG2 3.92Å; L94-A113 HydrophobicContact CD2-CB 3.61Å; L94-L519 HydrophobicContact CD1-CB 3.69Å; L94-M523 HydrophobicContact CB-CE 3.98Å; L94-M523 HydrophobicContact CB-CG 4.47Å; L94-M523 HydrophobicContact CD1-CB 4.09Å; L94-M523 HydrophobicContact CD2-CB 4.15Å; L94-M523 HydrophobicContact CD2-CG 4.07Å
95S94.8Very high92.8Very high0 Ų042.8 Ų42.80%022%0.215CC..Hα-helixtrans-64.2-41.9179.8-1680000112.2A75 M91 V92 E93 Q98 D99 T106A75-S95 VanDerWaalsContact CA-OG 3.3Å; A75-S95 WeakPolarHBondContact CA-OG 3.4Å; A75-S95 PolarHBondContact N-OG 2.93Å; M91-S95 PolarHBondContact O-N 2.98Å; V92-S95 PolarHBondContact O-N 3.42Å; E93-S95 PolarHBondContact O-N 2.82Å; S95-Q98 PolarHBondContact O-N 3.09Å; S95-D99 PolarHBondContact O-N 3.4Å; S95-D99 VanDerWaalsContact O-N 3.16Å; S95-T106 PolarHBondContact OG-O 3.2Å
96K94.1Very high93Very high93 Ų9340.9 Ų40.940%0.40421%0.207SC..Hα-helixtrans-65.1-41.3176.7-71.5-179.1177.6-177.90112.1V92 E93 Q98 D99 D100V92-K96 HydrophobicContact CG1-CD 4.43Å; V92-K96 PolarHBondContact O-N 3.41Å; E93-K96 PolarHBondContact O-N 3.33Å; K96-Q98 VanDerWaalsContact C-N 3.27Å; K96-Q98 PolarHBondContact O-N 3.46Å; K96-D99 WeakPolarHBondContact O-CA 3.43Å; K96-D99 WeakPolarHBondContact O-CB 3.31Å; K96-D99 PolarHBondContact O-N 3.08Å; K96-D100 PolarHBondContact O-N 2.85Å
97S95.2Very high93.1Very high53 Ų5335.7 Ų35.737%0.37118%0.183SC..Hα-helixtrans-62.9-35.7178.3-56.10000112.3E93 L94 E101E93-S97 WeakPolarHBondContact O-CB 3.26Å; E93-S97 PolarHBondContact O-N 3.44Å; E93-S97 PolarHBondContact O-OG 2.85Å; L94-S97 PolarHBondContact O-N 2.96Å; S97-E101 WeakPolarHBondContact O-CB 3.45Å; S97-E101 WeakPolarHBondContact O-CG 3.44Å; S97-E101 PolarHBondContact O-N 3.22Å
98Q94.5Very high93.1Very high0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-68.1-37.2173.6178.564.529.100111.8L94 S95 K96 I102 G103 D104 V109 L519L94-Q98 PolarHBondContact O-N 3.27Å; L94-Q98 VanDerWaalsContact O-N 3.16Å; S95-Q98 PolarHBondContact O-N 3.09Å; K96-Q98 VanDerWaalsContact C-N 3.27Å; K96-Q98 PolarHBondContact O-N 3.46Å; Q98-I102 WeakPolarHBondContact O-CB 3.26Å; Q98-I102 PolarHBondContact O-N 2.66Å; Q98-G103 PolarHBondContact O-N 3.45Å; Q98-D104 PolarHBondContact NE2-O 3.02Å; Q98-V109 HydrophobicContact CB-CG1 3.82Å; Q98-V109 HydrophobicContact CG-CB 4.38Å; Q98-V109 HydrophobicContact CG-CG1 3.97Å; Q98-L519 HydrophobicContact CB-CD1 4.25Å
99D93.8Very high93.2Very high33 Ų3335.8 Ų35.818%0.17619%0.185CC..Hα-helixtrans-65.5-50.1177-161.940.1000111.6A75 S95 K96 E101 G103 T106A75-D99 HydrophobicContact CB-CB 3.95Å; S95-D99 PolarHBondContact O-N 3.4Å; S95-D99 VanDerWaalsContact O-N 3.16Å; K96-D99 WeakPolarHBondContact O-CA 3.43Å; K96-D99 WeakPolarHBondContact O-CB 3.31Å; K96-D99 PolarHBondContact O-N 3.08Å; D99-E101 PolarHBondContact O-N 2.86Å; D99-G103 WeakPolarHBondContact O-CA 3.38Å; D99-G103 PolarHBondContact O-N 3.29Å; D99-T106 HydrophobicContact CB-CG2 3.67Å
100D92.6Very high93.3Very high123 Ų12331.5 Ų31.566%0.65817%0.167SC*.Hα-helixtrans-61.2-42.1-179.5-67.6-29.5000112.4K96K96-D100 PolarHBondContact O-N 2.85Å
101E89.9Confident93.4Very high116 Ų11630.1 Ų30.154%0.54216%0.16SC..Hα-helixtrans-79-45.3-177.1-72.5-66.6149.500112.9S97 D99 R410S97-E101 WeakPolarHBondContact O-CB 3.45Å; S97-E101 WeakPolarHBondContact O-CG 3.44Å; S97-E101 PolarHBondContact O-N 3.22Å; D99-E101 PolarHBondContact O-N 2.86Å; E101-R410 PolarHBondContact O-NH2 2.84Å
102I91.9Very high93.5Very high5 Ų530.5 Ų30.53%0.02616%0.162CC..Hα-helixtrans-114-37.3-170-57.1-57.8000112.2Q98 D104 C407 N411 I511 Q515Q98-I102 WeakPolarHBondContact O-CB 3.26Å; Q98-I102 PolarHBondContact O-N 2.66Å; I102-D104 VanDerWaalsContact C-N 3.28Å; I102-C407 WeakPolarHBondContact O-CB 3.45Å; I102-N411 WeakPolarHBondContact CG2-ND2 3.22Å; I102-N411 PolarHBondContact O-ND2 3.33Å; I102-I511 HydrophobicContact CD1-CG2 3.55Å; I102-Q515 HydrophobicContact CD1-CB 4.01Å; I102-Q515 HydrophobicContact CD1-CG 4.21Å; I102-Q515 HydrophobicContact CG1-CB 3.86Å; I102-Q515 HydrophobicContact CG1-CG 3.88Å
103G88.3Confident93.6Very high0 Ų029.9 Ų29.90%016%0.158CC..SBendtrans73.711.9-174.500000114.9Q98 D99 D404Q98-G103 PolarHBondContact O-N 3.45Å; D99-G103 WeakPolarHBondContact O-CA 3.38Å; D99-G103 PolarHBondContact O-N 3.29Å; G103-D404 VanDerWaalsContact O-CA 3.32Å; G103-D404 WeakPolarHBondContact O-CA 3.39Å; G103-D404 VanDerWaalsContact O-CB 3.25Å; G103-D404 WeakPolarHBondContact O-CB 3.36Å
104D88.8Confident93.7Very high38 Ų3824.6 Ų24.620%0.20313%0.134CC..SBendtrans-149.6156.7173.6-165.710.7000110.5Q98 I102 T172 V408Q98-D104 PolarHBondContact NE2-O 3.02Å; I102-D104 VanDerWaalsContact C-N 3.28Å; D104-T172 WeakPolarHBondContact OD2-CG2 3.31Å; D104-T172 PolarHBondContact OD2-OG1 2.96Å; D104-T172 VanDerWaalsContact OD2-OG1 3.08Å; D104-V408 HydrophobicContact CB-CG2 3.64Å
105G90.2Very high93.8Very high12 Ų1224.7 Ų24.712%0.12414%0.135CC..  trans78.521.9179.400000115.3T107 G108 V109 Q516G105-T107 VanDerWaalsContact C-N 3.32Å; G105-T107 PolarHBondContact O-N 3.29Å; G105-G108 PolarHBondContact O-N 2.88Å; G105-V109 PolarHBondContact O-N 3.34Å; G105-Q516 VanDerWaalsContact CA-NE2 3.34Å
106T93.1Very high93.9Very high7 Ų724.7 Ų24.74%0.04314%0.135CC..Hα-helixtrans-55.7-45.1175.856.10000111.6D73 G74 A75 S95 D99 V109 V110D73-T106 PolarHBondContact OD1-OG1 3.31Å; G74-T106 PolarHBondContact N-OG1 3.03Å; A75-T106 HydrophobicContact CB-CG2 3.82Å; S95-T106 PolarHBondContact OG-O 3.2Å; D99-T106 HydrophobicContact CB-CG2 3.67Å; T106-V109 VanDerWaalsContact O-CG1 3.27Å; T106-V109 WeakPolarHBondContact O-CG1 3.4Å; T106-V110 WeakPolarHBondContact O-CG2 3.42Å
107T93.3Very high94Very high10 Ų1020.2 Ų20.26%0.06112%0.115CC..Hα-helixtrans-68.3-42.8175.1-55.20000112.2M48 L52 G74 G105 V109 V110 V111M48-T107 HydrophobicContact CB-CG2 4.24Å; M48-T107 HydrophobicContact CE-CG2 4.09Å; M48-T107 WeakPolarHBondContact O-CG2 3.5Å; L52-T107 HydrophobicContact CB-CG2 4.16Å; L52-T107 HydrophobicContact CD1-CG2 4.07Å; G74-T107 WeakPolarHBondContact CA-OG1 3.02Å; G74-T107 PolarHBondContact N-OG1 3.46Å; G105-T107 VanDerWaalsContact C-N 3.32Å; G105-T107 PolarHBondContact O-N 3.29Å; T107-V109 PolarHBondContact O-N 3.32Å; T107-V110 PolarHBondContact O-N 2.81Å; T107-V111 HydrophobicContact CG2-CG2 4.48Å; T107-V111 WeakPolarHBondContact O-CG2 3.38Å; T107-V111 PolarHBondContact O-N 3.06Å; T107-V111 VanDerWaalsContact O-N 3.16Å
108G93.6Very high94.1Very high9 Ų920.7 Ų20.79%0.09311%0.112CC..Hα-helixtrans-64-41.8-175.500000113.4G105 V110 V111 L112G105-G108 PolarHBondContact O-N 2.88Å; G108-V110 VanDerWaalsContact C-N 3.3Å; G108-V110 PolarHBondContact O-N 3.5Å; G108-V111 PolarHBondContact O-N 3.45Å; G108-L112 WeakPolarHBondContact O-CB 3.43Å; G108-L112 PolarHBondContact O-N 3.37Å
109V95.9Very high94.1Very high0 Ų022.2 Ų22.20%012%0.119CC..Hα-helixtrans-63.8-36.3-179.868.50000112.1L94 Q98 G105 T106 T107 A113 Q516 L519 A520L94-V109 HydrophobicContact CD1-CG2 3.84Å; L94-V109 HydrophobicContact CD2-CG2 4.08Å; L94-V109 HydrophobicContact CG-CG1 4.27Å; L94-V109 HydrophobicContact CG-CG2 3.92Å; Q98-V109 HydrophobicContact CB-CG1 3.82Å; Q98-V109 HydrophobicContact CG-CB 4.38Å; Q98-V109 HydrophobicContact CG-CG1 3.97Å; G105-V109 PolarHBondContact O-N 3.34Å; T106-V109 VanDerWaalsContact O-CG1 3.27Å; T106-V109 WeakPolarHBondContact O-CG1 3.4Å; T107-V109 PolarHBondContact O-N 3.32Å; V109-A113 WeakPolarHBondContact O-CB 3.29Å; V109-A113 PolarHBondContact O-N 2.93Å; V109-Q516 HydrophobicContact CB-CB 4.46Å; V109-Q516 HydrophobicContact CB-CG 4.3Å; V109-L519 HydrophobicContact CG2-CB 4.19Å; V109-A520 HydrophobicContact CG2-CB 4.13Å
110V96.3Very high94.2Very high0 Ų020.7 Ų20.70%011%0.11CC..Hα-helixtrans-72.4-42.3179.2175.40000111V44 M48 L78 M91 T106 T107 G108 L112 A113 G114V44-V110 HydrophobicContact CG1-CG1 4.08Å; M48-V110 HydrophobicContact CG-CG1 4.15Å; L78-V110 HydrophobicContact CD1-CB 4.42Å; L78-V110 HydrophobicContact CD1-CG1 4.17Å; L78-V110 HydrophobicContact CD1-CG2 3.65Å; M91-V110 HydrophobicContact CE-CB 4.39Å; M91-V110 HydrophobicContact CE-CG1 3.75Å; M91-V110 WeakPolarHBondContact CE-O 3.33Å; T106-V110 WeakPolarHBondContact O-CG2 3.42Å; T107-V110 PolarHBondContact O-N 2.81Å; G108-V110 VanDerWaalsContact C-N 3.3Å; G108-V110 PolarHBondContact O-N 3.5Å; V110-L112 VanDerWaalsContact C-N 3.35Å; V110-A113 PolarHBondContact O-N 2.86Å; V110-G114 PolarHBondContact O-N 2.88Å
111V96.2Very high94.3Very high5 Ų517.4 Ų17.43%0.039%0.091CC..Hα-helixtrans-63.2-43.1175.9176.20000110.5M48 T107 G108 G114 A115 V457 I458M48-V111 HydrophobicContact CB-CG2 4.38Å; T107-V111 HydrophobicContact CG2-CG2 4.48Å; T107-V111 WeakPolarHBondContact O-CG2 3.38Å; T107-V111 PolarHBondContact O-N 3.06Å; T107-V111 VanDerWaalsContact O-N 3.16Å; G108-V111 PolarHBondContact O-N 3.45Å; V111-G114 PolarHBondContact O-N 2.96Å; V111-A115 WeakPolarHBondContact O-CB 3.28Å; V111-A115 PolarHBondContact O-N 3.19Å; V111-V457 HydrophobicContact CG1-CG1 4.24Å; V111-I458 HydrophobicContact CB-CD1 3.96Å; V111-I458 HydrophobicContact CG1-CD1 3.77Å
112L96.9Very high94.5Very high8 Ų815.8 Ų15.84%0.0428%0.084CC..Hα-helixtrans-63.7-44.9177-178.860.7000112G108 V110 G114 A115 L116 L455 I458 I517 A520G108-L112 WeakPolarHBondContact O-CB 3.43Å; G108-L112 PolarHBondContact O-N 3.37Å; V110-L112 VanDerWaalsContact C-N 3.35Å; L112-G114 VanDerWaalsContact C-N 3.33Å; L112-G114 PolarHBondContact O-N 3.43Å; L112-A115 PolarHBondContact O-N 2.89Å; L112-L116 HydrophobicContact CD1-CG 4.46Å; L112-L116 HydrophobicContact CG-CD1 4.27Å; L112-L116 WeakPolarHBondContact O-CG 3.16Å; L112-L116 PolarHBondContact O-N 3.38Å; L112-L455 HydrophobicContact CD1-CD2 3.96Å; L112-L455 HydrophobicContact CD2-CD2 4.49Å; L112-I458 HydrophobicContact CB-CD1 4.38Å; L112-I517 HydrophobicContact CD2-CG1 4.16Å; L112-A520 HydrophobicContact CB-CB 4.29Å; L112-A520 HydrophobicContact CD2-CB 3.9Å; L112-A520 HydrophobicContact CG-CB 3.97Å
113A97Very high94.6Very high0 Ų015.9 Ų15.90%08%0.084CC..Hα-helixtrans-63.3-38.3176.800000112.3M91 L94 V109 V110 L117 A520 V524M91-A113 HydrophobicContact CE-CB 3.66Å; M91-A113 HydrophobicContact SD-CB 4.19Å; L94-A113 HydrophobicContact CD2-CB 3.61Å; V109-A113 WeakPolarHBondContact O-CB 3.29Å; V109-A113 PolarHBondContact O-N 2.93Å; V110-A113 PolarHBondContact O-N 2.86Å; A113-L117 WeakPolarHBondContact O-CG 3.29Å; A113-L117 PolarHBondContact O-N 2.86Å; A113-A520 HydrophobicContact CB-CB 4.07Å; A113-V524 HydrophobicContact CB-CG2 4.19Å
114G96.6Very high94.9Very high2 Ų216.2 Ų16.22%0.0219%0.086CC..Hα-helixtrans-63.3-44.6173.200000112.9V110 V111 L112 L117 E118V110-G114 PolarHBondContact O-N 2.88Å; V111-G114 PolarHBondContact O-N 2.96Å; L112-G114 VanDerWaalsContact C-N 3.33Å; L112-G114 PolarHBondContact O-N 3.43Å; G114-L117 PolarHBondContact O-N 3.45Å; G114-E118 PolarHBondContact O-N 3.18Å
115A96.6Very high95.1Very high4 Ų419.2 Ų19.23%0.03310%0.102CC..Hα-helixtrans-61.9-44.5177.100000112.3V111 L112 L117 E118 E119 A454 V457V111-A115 WeakPolarHBondContact O-CB 3.28Å; V111-A115 PolarHBondContact O-N 3.19Å; L112-A115 PolarHBondContact O-N 2.89Å; A115-L117 VanDerWaalsContact C-N 3.29Å; A115-L117 PolarHBondContact O-N 3.4Å; A115-E118 PolarHBondContact O-N 3.04Å; A115-E119 PolarHBondContact O-N 3.4Å; A115-A454 HydrophobicContact CB-CB 4.02Å; A115-V457 HydrophobicContact CB-CB 3.78Å; A115-V457 HydrophobicContact CB-CG1 4.01Å; A115-V457 HydrophobicContact CB-CG2 3.69Å
116L97.3Very high95.2Very high0 Ų026.7 Ų26.70%013%0.127CC..Hα-helixtrans-60.9-37.2176.9-76.3171.3000112.6L112 A120 Y137 F451 A454 A520 V524L112-L116 HydrophobicContact CD1-CG 4.46Å; L112-L116 HydrophobicContact CG-CD1 4.27Å; L112-L116 WeakPolarHBondContact O-CG 3.16Å; L112-L116 PolarHBondContact O-N 3.38Å; L116-A120 VanDerWaalsContact O-CB 3.32Å; L116-A120 WeakPolarHBondContact O-CB 3.26Å; L116-A120 PolarHBondContact O-N 3.15Å; L116-Y137 HydrophobicContact CB-CE2 4.07Å; L116-Y137 HydrophobicContact CD2-CD2 4.21Å; L116-Y137 HydrophobicContact CD2-CE2 3.99Å; L116-Y137 WeakPolarHBondContact O-CE2 3.35Å; L116-Y137 PolarHBondContact O-OH 2.79Å; L116-F451 HydrophobicContact CD1-CE2 4.13Å; L116-F451 HydrophobicContact CD2-CB 4.39Å; L116-F451 HydrophobicContact CD2-CD2 3.3Å; L116-F451 HydrophobicContact CD2-CE2 3.69Å; L116-F451 HydrophobicContact CD2-CG 3.98Å; L116-A454 HydrophobicContact CD2-CB 3.61Å; L116-A454 HydrophobicContact CG-CB 3.96Å; L116-A520 HydrophobicContact CD1-CB 4.26Å; L116-V524 HydrophobicContact CB-CG1 4.27Å; L116-V524 HydrophobicContact CB-CG2 3.83Å; L116-V524 HydrophobicContact CD1-CG2 4.18Å
117L96.4Very high95.1Very high0 Ų029.6 Ų29.60%016%0.157CC..Hα-helixtrans-72-37.8176-75.2166.5000112.3I38 A41 A113 G114 A115 A120 E121 V524 I527 L528I38-L117 HydrophobicContact CG1-CB 4.18Å; I38-L117 HydrophobicContact CG1-CD2 4.12Å; I38-L117 HydrophobicContact CG2-CB 4.16Å; I38-L117 WeakPolarHBondContact CG2-O 3.45Å; A41-L117 HydrophobicContact CB-CD1 3.32Å; A113-L117 WeakPolarHBondContact O-CG 3.29Å; A113-L117 PolarHBondContact O-N 2.86Å; G114-L117 PolarHBondContact O-N 3.45Å; A115-L117 VanDerWaalsContact C-N 3.29Å; A115-L117 PolarHBondContact O-N 3.4Å; L117-A120 WeakPolarHBondContact O-CB 3.36Å; L117-A120 PolarHBondContact O-N 3.35Å; L117-E121 PolarHBondContact O-N 3.18Å; L117-V524 HydrophobicContact CD1-CG2 4.38Å; L117-V524 HydrophobicContact CD2-CB 4.49Å; L117-V524 HydrophobicContact CD2-CG1 3.85Å; L117-V524 HydrophobicContact CD2-CG2 4.38Å; L117-V524 HydrophobicContact CG-CG1 4.16Å; L117-V524 HydrophobicContact CG-CG2 3.92Å; L117-I527 HydrophobicContact CD1-CD1 3.83Å; L117-I527 HydrophobicContact CD1-CG2 4.43Å; L117-I527 HydrophobicContact CD2-CB 4.24Å; L117-I527 HydrophobicContact CD2-CG2 3.85Å; L117-L528 HydrophobicContact CD2-CD2 4.35Å; L117-L528 HydrophobicContact CD2-CG 4.44Å
118E96Very high95.1Very high63 Ų6330.4 Ų30.429%0.29416%0.161SC..Hα-helixtrans-63-45.2174.2176.7163.1-162.500111.7K42 G114 A115 A120 E121K42-E118 HydrophobicContact CD-CG 4.47Å; K42-E118 WeakPolarHBondContact CE-OE1 3.32Å; K42-E118 VanDerWaalsContact CE-OE2 3.31Å; K42-E118 WeakPolarHBondContact CE-OE2 3.45Å; K42-E118 IonicContact NZ-OE1 2.65Å; K42-E118 PolarHBondContact NZ-OE1 3.16Å; K42-E118 IonicContact NZ-OE2 3.5Å; G114-E118 PolarHBondContact O-N 3.18Å; A115-E118 PolarHBondContact O-N 3.04Å; E118-A120 VanDerWaalsContact C-N 3.3Å; E118-A120 PolarHBondContact O-N 3.46Å; E118-E121 VanDerWaalsContact O-CB 3.28Å; E118-E121 WeakPolarHBondContact O-CB 3.37Å; E118-E121 PolarHBondContact O-N 3.48Å
119E95.7Very high95.1Very high32 Ų3235.3 Ų35.315%0.1518%0.181CC..Hα-helixtrans-66.7-33.1174.6-69.1-56.1140.600112.1A115 E121 Q122 L123 A450 D453 A454A115-E119 PolarHBondContact O-N 3.4Å; E119-E121 VanDerWaalsContact C-N 3.31Å; E119-E121 PolarHBondContact O-N 2.98Å; E119-Q122 PolarHBondContact O-N 3.41Å; E119-Q122 PolarHBondContact OE1-NE2 3.08Å; E119-Q122 PolarHBondContact OE2-NE2 2.82Å; E119-Q122 VanDerWaalsContact OE2-NE2 3.17Å; E119-L123 PolarHBondContact O-N 2.74Å; E119-A450 HydrophobicContact CB-CB 3.97Å; E119-D453 HydrophobicContact CG-CB 4.48Å; E119-A454 HydrophobicContact CG-CB 4.09Å
120A95.3Very high94.9Very high0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-65-34.6173.800000111.9L116 L117 E118 Q122 L123 L124 I133 Y137 L528L116-A120 VanDerWaalsContact O-CB 3.32Å; L116-A120 WeakPolarHBondContact O-CB 3.26Å; L116-A120 PolarHBondContact O-N 3.15Å; L117-A120 WeakPolarHBondContact O-CB 3.36Å; L117-A120 PolarHBondContact O-N 3.35Å; E118-A120 VanDerWaalsContact C-N 3.3Å; E118-A120 PolarHBondContact O-N 3.46Å; A120-Q122 VanDerWaalsContact C-N 3.3Å; A120-Q122 PolarHBondContact O-N 2.85Å; A120-L123 PolarHBondContact O-N 3.18Å; A120-L123 VanDerWaalsContact O-N 3.15Å; A120-L124 VanDerWaalsContact O-CG 3.28Å; A120-L124 WeakPolarHBondContact O-CG 3.33Å; A120-L124 PolarHBondContact O-N 3.41Å; A120-I133 HydrophobicContact CB-CG2 4.07Å; A120-Y137 HydrophobicContact CB-CE2 4.24Å; A120-Y137 PolarHBondContact N-OH 3.38Å; A120-L528 HydrophobicContact CB-CD1 4.31Å; A120-L528 HydrophobicContact CB-CD2 4.03Å
121E95Very high94.8Very high54 Ų5440.3 Ų40.325%0.25221%0.208SC..Hα-helixtrans-56.3-44.9175.6-163.6177.2-173.900111.6I38 L117 E118 E119 L123 L124 D125I38-E121 HydrophobicContact CD1-CB 3.99Å; I38-E121 HydrophobicContact CD1-CG 4.33Å; I38-E121 HydrophobicContact CG2-CB 4.2Å; L117-E121 PolarHBondContact O-N 3.18Å; E118-E121 VanDerWaalsContact O-CB 3.28Å; E118-E121 WeakPolarHBondContact O-CB 3.37Å; E118-E121 PolarHBondContact O-N 3.48Å; E119-E121 VanDerWaalsContact C-N 3.31Å; E119-E121 PolarHBondContact O-N 2.98Å; E121-L123 VanDerWaalsContact C-N 3.29Å; E121-L123 PolarHBondContact O-N 3.4Å; E121-L124 WeakPolarHBondContact O-CB 3.45Å; E121-L124 PolarHBondContact O-N 3.21Å; E121-D125 PolarHBondContact O-N 3.05Å
122Q94.3Very high94.6Very high82 Ų8246.2 Ų46.238%0.38323%0.23SC..Hα-helixtrans-63.4-36.2179.1-58-177.336.600112.1E119 A120 R126E119-Q122 PolarHBondContact O-N 3.41Å; E119-Q122 PolarHBondContact OE1-NE2 3.08Å; E119-Q122 PolarHBondContact OE2-NE2 2.82Å; E119-Q122 VanDerWaalsContact OE2-NE2 3.17Å; A120-Q122 VanDerWaalsContact C-N 3.3Å; A120-Q122 PolarHBondContact O-N 2.85Å; Q122-R126 WeakPolarHBondContact O-CG 3.43Å; Q122-R126 PolarHBondContact O-N 2.83Å
123L94.4Very high94.5Very high7 Ų745.8 Ų45.84%0.03723%0.228CC..Hα-helixtrans-73.1-36.9176.8-62.2-177.9000112.1E119 A120 E121 D125 R126 G127 I128 I133 A447 A450E119-L123 PolarHBondContact O-N 2.74Å; A120-L123 PolarHBondContact O-N 3.18Å; A120-L123 VanDerWaalsContact O-N 3.15Å; E121-L123 VanDerWaalsContact C-N 3.29Å; E121-L123 PolarHBondContact O-N 3.4Å; L123-D125 VanDerWaalsContact C-N 3.33Å; L123-R126 PolarHBondContact O-N 2.93Å; L123-G127 PolarHBondContact O-N 3.48Å; L123-I128 HydrophobicContact CB-CB 4.46Å; L123-I128 HydrophobicContact CB-CD1 4.21Å; L123-I128 HydrophobicContact CD2-CD1 3.99Å; L123-I128 WeakPolarHBondContact O-CB 3.31Å; L123-I128 PolarHBondContact O-N 3.22Å; L123-I128 VanDerWaalsContact O-N 3.11Å; L123-I133 HydrophobicContact CB-CD1 3.61Å; L123-I133 HydrophobicContact CB-CG1 4.1Å; L123-I133 HydrophobicContact CD1-CD1 4.37Å; L123-I133 HydrophobicContact CD1-CG1 4.1Å; L123-I133 HydrophobicContact CD1-CG2 4.04Å; L123-A447 HydrophobicContact CD1-CB 4.25Å; L123-A450 HydrophobicContact CD1-CB 3.68Å; L123-A450 HydrophobicContact CD2-CB 4.49Å; L123-A450 HydrophobicContact CG-CB 4.22Å
124L93.6Very high94.4Very high7 Ų745.9 Ų45.94%0.03723%0.228CC..Hα-helixtrans-62.8-41.1174-68.8173.4000111L34 I38 A120 E121 R126 G127 P130 I133L34-L124 HydrophobicContact CB-CD1 4.23Å; L34-L124 HydrophobicContact CD1-CD1 4.33Å; L34-L124 HydrophobicContact CD1-CD2 4.39Å; I38-L124 HydrophobicContact CD1-CD1 3.77Å; A120-L124 VanDerWaalsContact O-CG 3.28Å; A120-L124 WeakPolarHBondContact O-CG 3.33Å; A120-L124 PolarHBondContact O-N 3.41Å; E121-L124 WeakPolarHBondContact O-CB 3.45Å; E121-L124 PolarHBondContact O-N 3.21Å; L124-R126 PolarHBondContact O-N 2.67Å; L124-G127 WeakPolarHBondContact O-CA 3.31Å; L124-G127 PolarHBondContact O-N 3.18Å; L124-P130 HydrophobicContact CD2-CB 4.23Å; L124-P130 HydrophobicContact CD2-CG 3.67Å; L124-I133 HydrophobicContact CD2-CD1 3.76Å; L124-I133 HydrophobicContact CG-CD1 3.95Å
125D93.3Very high94.3Very high102 Ų10248.7 Ų48.755%0.54524%0.243SC..Hα-helixtrans-65.4-26.5176.5-79.7-16.6000113.1K35 E121 L123 G127K35-D125 WeakPolarHBondContact CE-OD1 3.33Å; K35-D125 IonicContact NZ-OD1 2.67Å; K35-D125 PolarHBondContact NZ-OD1 3.41Å; K35-D125 IonicContact NZ-OD2 3.54Å; E121-D125 PolarHBondContact O-N 3.05Å; L123-D125 VanDerWaalsContact C-N 3.33Å; D125-G127 PolarHBondContact O-N 3.2Å
126R92.4Very high94.2Very high169 Ų16948.5 Ų48.564%0.63824%0.242SC*.THydrogen-bonded Turntrans-80.3-0.2171.2-66.3176.8-169.9-176.87.7113.5Q122 L123 L124Q122-R126 WeakPolarHBondContact O-CG 3.43Å; Q122-R126 PolarHBondContact O-N 2.83Å; L123-R126 PolarHBondContact O-N 2.93Å; L124-R126 PolarHBondContact O-N 2.67Å
127G91.7Very high94.2Very high67 Ų6748.6 Ų48.669%0.69124%0.242SC*.THydrogen-bonded Turntrans83.117.717800000114.8L123 L124 D125L123-G127 PolarHBondContact O-N 3.48Å; L124-G127 WeakPolarHBondContact O-CA 3.31Å; L124-G127 PolarHBondContact O-N 3.18Å; D125-G127 PolarHBondContact O-N 3.2Å
128I92.8Very high94.1Very high27 Ų2751 Ų5114%0.13825%0.253CS..  trans-77.5132.3175-55.1-176.9000109.4L123 R132 I133 Y446L123-I128 HydrophobicContact CB-CB 4.46Å; L123-I128 HydrophobicContact CB-CD1 4.21Å; L123-I128 HydrophobicContact CD2-CD1 3.99Å; L123-I128 WeakPolarHBondContact O-CB 3.31Å; L123-I128 PolarHBondContact O-N 3.22Å; L123-I128 VanDerWaalsContact O-N 3.11Å; I128-R132 HydrophobicContact CG2-CB 4.22Å; I128-I133 HydrophobicContact CB-CD1 4.38Å; I128-I133 HydrophobicContact CB-CG1 4.29Å; I128-I133 HydrophobicContact CG2-CD1 4.35Å; I128-I133 HydrophobicContact CG2-CG1 3.74Å; I128-Y446 HydrophobicContact CD1-CD2 4.43Å; I128-Y446 HydrophobicContact CD1-CG 4.35Å
129H92.8Very high94.1Very high112 Ų11251.8 Ų51.852%0.51926%0.257SS..  trans-66136-178.4-167.9-83000111.9I131 R132 I133H129-I131 VanDerWaalsContact C-N 3.29Å; H129-I131 PolarHBondContact ND1-N 2.88Å; H129-I131 PolarHBondContact O-N 3.31Å; H129-I131 VanDerWaalsContact O-N 3.14Å; H129-R132 HydrophobicContact CB-CG 4.29Å; H129-R132 WeakPolarHBondContact O-CB 3.25Å; H129-R132 PolarHBondContact O-N 3.43Å; H129-I133 PolarHBondContact O-N 3.13Å
130P93.2Very high94.1Very high20 Ų2050.2 Ų50.213%0.1325%0.25CC..Hα-helixtrans-52.7-40.5-176.7-23.726.7000114.6L34 L124 R132 I133 A134 L528L34-P130 HydrophobicContact CD1-CB 4.34Å; L34-P130 HydrophobicContact CD1-CG 3.55Å; L124-P130 HydrophobicContact CD2-CB 4.23Å; L124-P130 HydrophobicContact CD2-CG 3.67Å; P130-R132 VanDerWaalsContact C-N 3.31Å; P130-R132 PolarHBondContact O-N 2.9Å; P130-I133 WeakPolarHBondContact O-CB 3.44Å; P130-I133 PolarHBondContact O-N 2.82Å; P130-A134 PolarHBondContact O-N 3.01Å; P130-L528 HydrophobicContact CB-CB 4.4Å; P130-L528 VanDerWaalsContact CB-O 3.28Å; P130-L528 WeakPolarHBondContact CB-O 3.37Å
131I92.7Very high94.2Very high85 Ų8550.5 Ų50.544%0.43625%0.252SS..Hα-helixtrans-61.3-38.3177.5-60.8175000111.9H129 I133 A134 D135H129-I131 VanDerWaalsContact C-N 3.29Å; H129-I131 PolarHBondContact ND1-N 2.88Å; H129-I131 PolarHBondContact O-N 3.31Å; H129-I131 VanDerWaalsContact O-N 3.14Å; I131-I133 VanDerWaalsContact C-N 3.35Å; I131-A134 WeakPolarHBondContact O-CB 2.76Å; I131-A134 PolarHBondContact O-N 3.13Å; I131-D135 VanDerWaalsContact O-CG 3.31Å; I131-D135 PolarHBondContact O-N 3.14Å
132R93Very high94.2Very high129 Ų12955 Ų5549%0.48727%0.267SS..Hα-helixtrans-69.3-35.7178.5-68-69.8-175.3172.2-5.4111.7I128 H129 P130 G136 E444I128-R132 HydrophobicContact CG2-CB 4.22Å; H129-R132 HydrophobicContact CB-CG 4.29Å; H129-R132 WeakPolarHBondContact O-CB 3.25Å; H129-R132 PolarHBondContact O-N 3.43Å; P130-R132 VanDerWaalsContact C-N 3.31Å; P130-R132 PolarHBondContact O-N 2.9Å; R132-G136 PolarHBondContact O-N 3.08Å; R132-E444 IonicContact CZ-OE1 3.56Å; R132-E444 IonicContact NH1-OE1 2.74Å; R132-E444 PolarHBondContact NH1-OE1 3.28Å
133I95Very high94.3Very high0 Ų052.4 Ų52.40%026%0.256CS..Hα-helixtrans-63.3-48.6173.2-58.5169.9000109.4A120 L123 L124 I128 H129 P130 I131 D135 G136 Y137 L528A120-I133 HydrophobicContact CB-CG2 4.07Å; L123-I133 HydrophobicContact CB-CD1 3.61Å; L123-I133 HydrophobicContact CB-CG1 4.1Å; L123-I133 HydrophobicContact CD1-CD1 4.37Å; L123-I133 HydrophobicContact CD1-CG1 4.1Å; L123-I133 HydrophobicContact CD1-CG2 4.04Å; L124-I133 HydrophobicContact CD2-CD1 3.76Å; L124-I133 HydrophobicContact CG-CD1 3.95Å; I128-I133 HydrophobicContact CB-CD1 4.38Å; I128-I133 HydrophobicContact CB-CG1 4.29Å; I128-I133 HydrophobicContact CG2-CD1 4.35Å; I128-I133 HydrophobicContact CG2-CG1 3.74Å; H129-I133 PolarHBondContact O-N 3.13Å; P130-I133 WeakPolarHBondContact O-CB 3.44Å; P130-I133 PolarHBondContact O-N 2.82Å; I131-I133 VanDerWaalsContact C-N 3.35Å; I133-D135 PolarHBondContact O-N 2.9Å; I133-G136 PolarHBondContact O-N 3.3Å; I133-Y137 HydrophobicContact CG2-CD1 4.27Å; I133-Y137 HydrophobicContact CG2-CD2 4.25Å; I133-Y137 HydrophobicContact CG2-CE1 3.93Å; I133-Y137 HydrophobicContact CG2-CE2 3.92Å; I133-Y137 HydrophobicContact CG2-CG 4.42Å; I133-Y137 PolarHBondContact O-N 2.9Å; I133-L528 HydrophobicContact CB-CD1 4.29Å; I133-L528 HydrophobicContact CG2-CD1 3.93Å
134A94.9Very high94.4Very high1 Ų152.1 Ų52.11%0.00826%0.255CS..Hα-helixtrans-57.4-45.6177.600000113.3P130 I131 Y137 E138 R525 L528P130-A134 PolarHBondContact O-N 3.01Å; I131-A134 WeakPolarHBondContact O-CB 2.76Å; I131-A134 PolarHBondContact O-N 3.13Å; A134-Y137 PolarHBondContact O-N 3.02Å; A134-E138 PolarHBondContact O-N 2.87Å; A134-R525 HydrophobicContact CB-CB 4.32Å; A134-R525 HydrophobicContact CB-CG 3.94Å; A134-L528 HydrophobicContact CB-CD1 4.48Å
135D93.6Very high94.6Very high62 Ų6253.7 Ų53.733%0.33226%0.263SS..Hα-helixtrans-67.3-39.1178.6-66.6-22.6000111.4I131 I133 E138 Q139I131-D135 VanDerWaalsContact O-CG 3.31Å; I131-D135 PolarHBondContact O-N 3.14Å; I133-D135 PolarHBondContact O-N 2.9Å; D135-E138 PolarHBondContact O-N 2.78Å; D135-Q139 PolarHBondContact O-N 3.33Å
136G94.8Very high94.7Very high0 Ų054.2 Ų54.20%026%0.262CS..Hα-helixtrans-65.6-38.4174.800000113.5R132 I133 Q139 A140R132-G136 PolarHBondContact O-N 3.08Å; I133-G136 PolarHBondContact O-N 3.3Å; G136-Q139 PolarHBondContact O-N 3.42Å; G136-A140 WeakPolarHBondContact O-CB 3.26Å; G136-A140 PolarHBondContact O-N 3.19Å
137Y96.6Very high94.9Very high2 Ų248 Ų481%0.00824%0.24CC..Hα-helixtrans-65.5-39.2172.6-75.92.1000112L116 A120 I133 A134 Q139 A140 A141 A447 A450 F451 V524L116-Y137 HydrophobicContact CB-CE2 4.07Å; L116-Y137 HydrophobicContact CD2-CD2 4.21Å; L116-Y137 HydrophobicContact CD2-CE2 3.99Å; L116-Y137 WeakPolarHBondContact O-CE2 3.35Å; L116-Y137 PolarHBondContact O-OH 2.79Å; A120-Y137 HydrophobicContact CB-CE2 4.24Å; A120-Y137 PolarHBondContact N-OH 3.38Å; I133-Y137 HydrophobicContact CG2-CD1 4.27Å; I133-Y137 HydrophobicContact CG2-CD2 4.25Å; I133-Y137 HydrophobicContact CG2-CE1 3.93Å; I133-Y137 HydrophobicContact CG2-CE2 3.92Å; I133-Y137 HydrophobicContact CG2-CG 4.42Å; I133-Y137 PolarHBondContact O-N 2.9Å; A134-Y137 PolarHBondContact O-N 3.02Å; Y137-Q139 VanDerWaalsContact C-N 3.33Å; Y137-Q139 PolarHBondContact O-N 3.42Å; Y137-A140 PolarHBondContact O-N 3.39Å; Y137-A141 WeakPolarHBondContact O-CB 3.36Å; Y137-A141 PolarHBondContact O-N 3.03Å; Y137-A447 HydrophobicContact CD1-CB 4.14Å; Y137-A447 WeakPolarHBondContact CD1-O 3.47Å; Y137-A447 HydrophobicContact CE1-CB 4.3Å; Y137-A447 WeakPolarHBondContact CE1-O 3.37Å; Y137-A450 HydrophobicContact CE1-CB 4.05Å; Y137-F451 HydrophobicContact CD1-CB 3.98Å; Y137-F451 HydrophobicContact CD1-CD2 4.02Å; Y137-F451 HydrophobicContact CE1-CB 4.17Å; Y137-F451 HydrophobicContact CG-CD2 4Å; Y137-V524 HydrophobicContact CD2-CG1 3.9Å; Y137-V524 HydrophobicContact CE2-CG1 3.92Å
138E95.5Very high95Very high50 Ų5045 Ų4523%0.23421%0.208CC..Hα-helixtrans-62.8-40.7175.2-173.3173.8167.100111.7A134 D135 R142 R525A134-E138 PolarHBondContact O-N 2.87Å; D135-E138 PolarHBondContact O-N 2.78Å; E138-R142 WeakPolarHBondContact O-CG 3.37Å; E138-R142 PolarHBondContact O-N 2.96Å; E138-R142 IonicContact OE1-CZ 3.64Å; E138-R142 IonicContact OE1-NE 3.6Å; E138-R142 IonicContact OE1-NH2 2.81Å; E138-R142 PolarHBondContact OE1-NH2 3.5Å; E138-R525 IonicContact OE2-CZ 2.83Å; E138-R525 IonicContact OE2-NE 3.66Å; E138-R525 IonicContact OE2-NH1 2.7Å; E138-R525 PolarHBondContact OE2-NH1 3.04Å; E138-R525 IonicContact OE2-NH2 2.72Å
139Q94.7Very high95.1Very high79 Ų7946.2 Ų46.237%0.36922%0.215SC..Hα-helixtrans-65.3-44.9174.6-175.4175.6-9.600111.9D135 G136 Y137 A141 R142 V143 M448D135-Q139 PolarHBondContact O-N 3.33Å; G136-Q139 PolarHBondContact O-N 3.42Å; Y137-Q139 VanDerWaalsContact C-N 3.33Å; Y137-Q139 PolarHBondContact O-N 3.42Å; Q139-A141 PolarHBondContact O-N 3.14Å; Q139-R142 PolarHBondContact O-N 3.47Å; Q139-V143 PolarHBondContact O-N 3.06Å; Q139-M448 HydrophobicContact CG-SD 4.33Å
140A96.5Very high95.2Very high0 Ų048.5 Ų48.50%022%0.223CC..Hα-helixtrans-61.3-42.8177.300000112.3G136 Y137 R142 V143 A144 V433 M448 F451G136-A140 WeakPolarHBondContact O-CB 3.26Å; G136-A140 PolarHBondContact O-N 3.19Å; Y137-A140 PolarHBondContact O-N 3.39Å; A140-R142 VanDerWaalsContact C-N 3.35Å; A140-R142 PolarHBondContact O-N 3.22Å; A140-V143 PolarHBondContact O-N 3.25Å; A140-A144 PolarHBondContact O-N 3.16Å; A140-V433 HydrophobicContact CB-CG1 3.8Å; A140-M448 HydrophobicContact CB-CB 4.41Å; A140-M448 HydrophobicContact CB-CG 4.15Å; A140-F451 HydrophobicContact CB-CB 3.62Å; A140-F451 HydrophobicContact CB-CD1 3.56Å; A140-F451 HydrophobicContact CB-CD2 3.95Å; A140-F451 HydrophobicContact CB-CE1 4.17Å; A140-F451 HydrophobicContact CB-CG 3.43Å; A140-F451 VanDerWaalsContact CB-CG 3.43Å
141A96.5Very high95.2Very high6 Ų648.9 Ų48.95%0.0522%0.224CC..Hα-helixtrans-62.2-39.9177.600000112.4Y137 Q139 A144 I145 F451 I517 T521Y137-A141 WeakPolarHBondContact O-CB 3.36Å; Y137-A141 PolarHBondContact O-N 3.03Å; Q139-A141 PolarHBondContact O-N 3.14Å; A141-A144 PolarHBondContact O-N 3.14Å; A141-I145 WeakPolarHBondContact O-CB 3.47Å; A141-I145 VanDerWaalsContact O-CG1 3.25Å; A141-I145 WeakPolarHBondContact O-CG1 3.36Å; A141-I145 PolarHBondContact O-N 3.4Å; A141-F451 HydrophobicContact CB-CE2 4.1Å; A141-F451 HydrophobicContact CB-CZ 3.82Å; A141-I517 HydrophobicContact CB-CG2 4.12Å; A141-T521 HydrophobicContact CB-CG2 3.83Å; A141-T521 WeakPolarHBondContact CB-OG1 3.26Å
142R96.4Very high95.1Very high148 Ų14846 Ų4656%0.55821%0.211SC*.Hα-helixtrans-61.5-46.2174.9-70.5174.6-170.1-174.44.4111.5E138 Q139 A140 A144 I145 E146E138-R142 WeakPolarHBondContact O-CG 3.37Å; E138-R142 PolarHBondContact O-N 2.96Å; E138-R142 IonicContact OE1-CZ 3.64Å; E138-R142 IonicContact OE1-NE 3.6Å; E138-R142 IonicContact OE1-NH2 2.81Å; E138-R142 PolarHBondContact OE1-NH2 3.5Å; Q139-R142 PolarHBondContact O-N 3.47Å; A140-R142 VanDerWaalsContact C-N 3.35Å; A140-R142 PolarHBondContact O-N 3.22Å; R142-A144 VanDerWaalsContact C-N 3.34Å; R142-A144 PolarHBondContact O-N 2.79Å; R142-I145 PolarHBondContact O-N 3.2Å; R142-E146 WeakPolarHBondContact O-CG 3.1Å; R142-E146 PolarHBondContact O-N 3.45Å
143V96.3Very high95Very high28 Ų2842.5 Ų42.517%0.1720%0.202CC..Hα-helixtrans-59.6-44.9175.9172.60000111.1Q139 A140 E146 H147 V433 E436Q139-V143 PolarHBondContact O-N 3.06Å; A140-V143 PolarHBondContact O-N 3.25Å; V143-E146 PolarHBondContact O-N 3.3Å; V143-H147 WeakPolarHBondContact O-CB 3.49Å; V143-H147 PolarHBondContact O-N 3.04Å; V143-V433 HydrophobicContact CB-CG2 4.39Å; V143-V433 HydrophobicContact CG1-CG2 4.16Å; V143-E436 HydrophobicContact CG1-CB 4.17Å; V143-E436 HydrophobicContact CG1-CG 3.68Å; V143-E436 HydrophobicContact CG2-CB 4.41Å; V143-E436 HydrophobicContact CG2-CG 4.27Å
144A96.6Very high94.6Very high0 Ų046.9 Ų46.90%023%0.233CC..Hα-helixtrans-62-45.4177.600000112A140 A141 R142 H147 L148 C429 V433 F451 I517A140-A144 PolarHBondContact O-N 3.16Å; A141-A144 PolarHBondContact O-N 3.14Å; R142-A144 VanDerWaalsContact C-N 3.34Å; R142-A144 PolarHBondContact O-N 2.79Å; A144-H147 PolarHBondContact O-N 3Å; A144-L148 WeakPolarHBondContact O-CG 3.41Å; A144-L148 PolarHBondContact O-N 3.26Å; A144-C429 HydrophobicContact CB-CB 4.11Å; A144-V433 HydrophobicContact CB-CG2 4.01Å; A144-F451 HydrophobicContact CB-CE1 4.34Å; A144-I517 HydrophobicContact CB-CD1 4.28Å
145I96.4Very high93.9Very high41 Ų4147.8 Ų47.821%0.2124%0.238CC..Hα-helixtrans-63.8-42.6178.8-70.6166.1000111.6A141 R142 H147 L148 D149 K514 I517A141-I145 WeakPolarHBondContact O-CB 3.47Å; A141-I145 VanDerWaalsContact O-CG1 3.25Å; A141-I145 WeakPolarHBondContact O-CG1 3.36Å; A141-I145 PolarHBondContact O-N 3.4Å; R142-I145 PolarHBondContact O-N 3.2Å; I145-H147 VanDerWaalsContact C-N 3.31Å; I145-H147 PolarHBondContact O-N 3.25Å; I145-L148 WeakPolarHBondContact O-CB 3.18Å; I145-L148 PolarHBondContact O-N 2.89Å; I145-D149 PolarHBondContact O-N 3.01Å; I145-D149 VanDerWaalsContact O-N 3.17Å; I145-K514 HydrophobicContact CG2-CD 3.95Å; I145-K514 HydrophobicContact CG2-CG 4.07Å; I145-I517 HydrophobicContact CG1-CG2 4.46Å
146E96.3Very high93Very high112 Ų11251.8 Ų51.852%0.52326%0.259SS..Hα-helixtrans-65.5-34.7174.8-73.2178-166.500112.2R142 V143 D149 K150R142-E146 WeakPolarHBondContact O-CG 3.1Å; R142-E146 PolarHBondContact O-N 3.45Å; V143-E146 PolarHBondContact O-N 3.3Å; E146-D149 PolarHBondContact O-N 3.37Å; E146-K150 WeakPolarHBondContact O-CG 3.11Å; E146-K150 PolarHBondContact O-N 3.31Å
147H95.7Very high91.9Very high40 Ų4053.6 Ų53.619%0.18527%0.27CS..Hα-helixtrans-69.2-40.4175-17265.9000111.7V143 A144 I145 D149 K150 I151 S428 A432V143-H147 WeakPolarHBondContact O-CB 3.49Å; V143-H147 PolarHBondContact O-N 3.04Å; A144-H147 PolarHBondContact O-N 3Å; I145-H147 VanDerWaalsContact C-N 3.31Å; I145-H147 PolarHBondContact O-N 3.25Å; H147-D149 VanDerWaalsContact C-N 3.27Å; H147-D149 PolarHBondContact O-N 3.18Å; H147-K150 WeakPolarHBondContact O-CB 3.37Å; H147-K150 PolarHBondContact O-N 3.24Å; H147-I151 PolarHBondContact O-N 2.92Å; H147-S428 PolarHBondContact NE2-O 2.72Å; H147-S428 PolarHBondContact NE2-OG 3.4Å; H147-A432 HydrophobicContact CB-CB 4.07Å
148L95.3Very high90.8Very high2 Ų257.1 Ų57.11%0.0129%0.289CS..Hα-helixtrans-56.4-40.5172.7-73.8179.1000111.9A144 I145 K150 I151 S152 V419 A425 C429 L510 K513 K514 I517A144-L148 WeakPolarHBondContact O-CG 3.41Å; A144-L148 PolarHBondContact O-N 3.26Å; I145-L148 WeakPolarHBondContact O-CB 3.18Å; I145-L148 PolarHBondContact O-N 2.89Å; L148-K150 VanDerWaalsContact C-N 3.32Å; L148-K150 PolarHBondContact O-N 3.2Å; L148-I151 HydrophobicContact CD2-CD1 4.06Å; L148-S152 WeakPolarHBondContact O-CB 3.37Å; L148-S152 PolarHBondContact O-N 3.4Å; L148-S152 VanDerWaalsContact O-N 3.14Å; L148-V419 HydrophobicContact CD2-CG1 4.47Å; L148-A425 HydrophobicContact CD2-CB 4.06Å; L148-C429 VanDerWaalsContact CD2-SG 3.51Å; L148-L510 HydrophobicContact CB-CD1 3.71Å; L148-K513 HydrophobicContact CD1-CB 3.97Å; L148-K514 HydrophobicContact CD1-CG 4.04Å; L148-I517 HydrophobicContact CD1-CD1 3.79Å
149D94.6Very high89.8Confident53 Ų5360.1 Ų60.128%0.28331%0.305SS..Hα-helixtrans-59.9-41.6173.8-82.9-50.6000112.4I145 E146 H147 S152 R417 K514I145-D149 PolarHBondContact O-N 3.01Å; I145-D149 VanDerWaalsContact O-N 3.17Å; E146-D149 PolarHBondContact O-N 3.37Å; H147-D149 VanDerWaalsContact C-N 3.27Å; H147-D149 PolarHBondContact O-N 3.18Å; D149-S152 PolarHBondContact O-OG 2.91Å; D149-R417 IonicContact OD1-CZ 2.79Å; D149-R417 IonicContact OD1-NH1 3.25Å; D149-R417 PolarHBondContact OD1-NH1 3.34Å; D149-R417 IonicContact OD1-NH2 3.92Å; D149-K514 VanDerWaalsContact OD1-CE 3.3Å; D149-K514 WeakPolarHBondContact OD1-CE 3.41Å; D149-K514 IonicContact OD1-NZ 3.55Å; D149-K514 PolarHBondContact OD1-NZ 3.11Å; D149-K514 WeakPolarHBondContact OD2-CE 3.28Å; D149-K514 IonicContact OD2-NZ 3.67Å; D149-K514 PolarHBondContact OD2-NZ 3.47Å
150K94.2Very high88.9Confident160 Ų16065.4 Ų65.470%0.69633%0.327SS*.Hα-helixtrans-71.2-35.6-177.5-68.2170.4-171.6166.30113.2E146 H147 L148E146-K150 WeakPolarHBondContact O-CG 3.11Å; E146-K150 PolarHBondContact O-N 3.31Å; H147-K150 WeakPolarHBondContact O-CB 3.37Å; H147-K150 PolarHBondContact O-N 3.24Å; L148-K150 VanDerWaalsContact C-N 3.32Å; L148-K150 PolarHBondContact O-N 3.2Å
151I92.6Very high88.3Confident29 Ų2969.7 Ų69.715%0.14935%0.35CS..Hα-helixtrans-87.4-7.3-179.769.4174.8000113.2H147 L148 P487H147-I151 PolarHBondContact O-N 2.92Å; L148-I151 HydrophobicContact CD2-CD1 4.06Å; I151-P487 HydrophobicContact CB-CB 4.04Å; I151-P487 HydrophobicContact CB-CG 4.07Å; I151-P487 HydrophobicContact CD1-CB 4.3Å; I151-P487 HydrophobicContact CG2-CB 3.92Å; I151-P487 HydrophobicContact CG2-CG 4.12Å
152S91.7Very high87.8Confident23 Ų2371 Ų7116%0.16136%0.357CS..PPolyproline II helixtrans-68.6137.8-177.768.20000112.2L148 D149 V418L148-S152 WeakPolarHBondContact O-CB 3.37Å; L148-S152 PolarHBondContact O-N 3.4Å; L148-S152 VanDerWaalsContact O-N 3.14Å; D149-S152 PolarHBondContact O-OG 2.91Å; S152-V418 WeakPolarHBondContact CA-O 3.3Å
153D90.8Very high87.5Confident57 Ų5767 Ų6731%0.30535%0.345SS..EExtended strand (participates in β ladder)trans-98151.3168.9-83.9-22.2000108.9R417 V418 Y420 K502D153-R417 WeakPolarHBondContact O-CA 3.45Å; D153-V418 HydrophobicContact CB-CG2 4.3Å; D153-V418 PolarHBondContact N-O 3.43Å; D153-V418 PolarHBondContact O-N 2.85Å; D153-Y420 WeakPolarHBondContact OD2-CE2 3.27Å; D153-Y420 PolarHBondContact OD2-OH 3.03Å; D153-K502 IonicContact OD2-NZ 2.8Å; D153-K502 PolarHBondContact OD2-NZ 3.45Å
154S87Confident87.1Confident91 Ų9167.4 Ų67.464%0.63635%0.348SS*.EExtended strand (participates in β ladder)trans-98.5129.9174.862.80000110.8
155V79.6Confident86.8Confident21 Ų2167.5 Ų67.513%0.12735%0.349CS..PPolyproline II helixtrans-96135.9172.9177.60000108.5V157 P164 N416 V418V155-V157 PolarHBondContact O-N 3.33Å; V155-P164 HydrophobicContact CG1-CB 3.4Å; V155-P164 VanDerWaalsContact CG1-CB 3.4Å; V155-P164 HydrophobicContact CG1-CG 4.28Å; V155-N416 PolarHBondContact N-O 3.29Å; V155-N416 WeakPolarHBondContact O-CB 3.39Å; V155-N416 PolarHBondContact O-ND2 3.43Å; V155-V418 HydrophobicContact CB-CG1 4.43Å; V155-V418 HydrophobicContact CG2-CB 4.22Å; V155-V418 HydrophobicContact CG2-CG1 3.61Å; V155-V418 HydrophobicContact CG2-CG2 3.55Å
156L74.6Confident86.6Confident146 Ų14665.9 Ų65.976%0.76434%0.341SS*.  trans-78.9115171.8-72.2168000108.5D158L156-D158 PolarHBondContact O-N 2.92Å
157V72.2Confident86.3Confident38 Ų3861.9 Ų61.923%0.2332%0.322CS..  trans-83.586.6171.4-174.40000107.3V155 L165 M199 I413 N416V155-V157 PolarHBondContact O-N 3.33Å; V157-L165 HydrophobicContact CG1-CD1 4.33Å; V157-L165 HydrophobicContact CG2-CD2 4.39Å; V157-M199 HydrophobicContact CG1-CE 4.01Å; V157-I413 HydrophobicContact CG1-CG1 4.39Å; V157-N416 HydrophobicContact CG2-CB 4.01Å
158D73.6Confident86.1Confident76 Ų7660 Ų6041%0.40631%0.313SS..  trans-102.2138.1171.8-165.1-16.4000109.7L156 K160 D161L156-D158 PolarHBondContact O-N 2.92Å; D158-K160 PolarHBondContact O-N 2.96Å; D158-K160 PolarHBondContact OD1-N 2.87Å; D158-D161 HydrophobicContact CB-CB 4.45Å; D158-D161 CarbonylContact O-C 3.46Å; D158-D161 PolarHBondContact O-N 2.99Å
159I74.2Confident85.9Confident113 Ų11359.9 Ų59.958%0.57931%0.312SS*.SBendtrans-64.9-27.3173.5-57.5170.9000110.1M199I159-M199 HydrophobicContact CG1-CE 4.45Å
160K75.7Confident85.8Confident190 Ų19059.2 Ų59.283%0.82631%0.307SS*.SBendtrans-82.1-34.1-179.6-65.2-179.1-179176.70113.6D158D158-K160 PolarHBondContact O-N 2.96Å; D158-K160 PolarHBondContact OD1-N 2.87Å
161D84Confident85.7Confident89 Ų8953.2 Ų53.248%0.47628%0.284SS..  trans-114.489.6179.7-172.913.3000109.9D158 E163D158-D161 HydrophobicContact CB-CB 4.45Å; D158-D161 CarbonylContact O-C 3.46Å; D158-D161 PolarHBondContact O-N 2.99Å; D161-E163 PolarHBondContact OD1-N 3.3Å
162T86.7Confident85.6Confident34 Ų3452.1 Ų52.121%0.20928%0.279CS..  trans-87.9-6-177.858.10000112.9L165 I166 V190 L194T162-L165 PolarHBondContact O-N 3.16Å; T162-I166 VanDerWaalsContact O-CG1 3.31Å; T162-I166 WeakPolarHBondContact O-CG1 3.44Å; T162-I166 PolarHBondContact O-N 3.42Å; T162-V190 HydrophobicContact CG2-CG1 4.32Å; T162-L194 HydrophobicContact CG2-CD1 3.47Å; T162-L194 VanDerWaalsContact CG2-CD1 3.47Å
163E89.4Confident85.6Confident65 Ų6551 Ų5130%0.30427%0.271SS..Hα-helixtrans-60.9-40.7-174.4-170.467.3-159.300112.7D161 L165 I166 Q167 R183D161-E163 PolarHBondContact OD1-N 3.3Å; E163-L165 VanDerWaalsContact C-N 3.33Å; E163-L165 PolarHBondContact O-N 3.25Å; E163-I166 PolarHBondContact O-N 3.09Å; E163-Q167 HydrophobicContact CG-CG 4.43Å; E163-Q167 VanDerWaalsContact O-CG 3.31Å; E163-Q167 WeakPolarHBondContact O-CG 3.37Å; E163-Q167 PolarHBondContact O-N 3Å; E163-Q167 PolarHBondContact OE1-NE2 2.84Å; E163-R183 IonicContact OE1-CZ 2.67Å; E163-R183 IonicContact OE1-NH1 3.99Å; E163-R183 PolarHBondContact OE1-NH1 3.01Å; E163-R183 IonicContact OE1-NH2 3.76Å; E163-R183 IonicContact OE2-CZ 3.12Å; E163-R183 IonicContact OE2-NH1 2.55Å; E163-R183 IonicContact OE2-NH2 2.72Å; E163-R183 PolarHBondContact OE2-NH2 2.99Å
164P87.3Confident85.4Confident36 Ų3648.9 Ų48.923%0.23426%0.262CS..Hα-helixtrans-59.8-41.3175.8-24.334.8000113.2V155 Q167 T168V155-P164 HydrophobicContact CG1-CB 3.4Å; V155-P164 VanDerWaalsContact CG1-CB 3.4Å; V155-P164 HydrophobicContact CG1-CG 4.28Å; P164-Q167 PolarHBondContact O-N 2.91Å; P164-T168 PolarHBondContact O-N 2.79Å; P164-T168 VanDerWaalsContact O-N 3.11Å; P164-T168 PolarHBondContact O-OG1 2.86Å
165L90.3Very high85.3Confident1 Ų146 Ų461%0.00524%0.242CC..Hα-helixtrans-65.7-40.5177.2-58.1178.6000111.2V157 T162 E163 Q167 T168 A169 V190 L194 L412V157-L165 HydrophobicContact CG1-CD1 4.33Å; V157-L165 HydrophobicContact CG2-CD2 4.39Å; T162-L165 PolarHBondContact O-N 3.16Å; E163-L165 VanDerWaalsContact C-N 3.33Å; E163-L165 PolarHBondContact O-N 3.25Å; L165-Q167 VanDerWaalsContact C-N 3.32Å; L165-Q167 PolarHBondContact O-N 3.22Å; L165-T168 PolarHBondContact O-N 3.31Å; L165-A169 WeakPolarHBondContact O-CB 3.45Å; L165-A169 PolarHBondContact O-N 2.92Å; L165-V190 HydrophobicContact CB-CG1 3.97Å; L165-V190 HydrophobicContact CB-CG2 3.84Å; L165-V190 HydrophobicContact CD1-CG1 4.05Å; L165-L194 HydrophobicContact CD1-CD1 4.28Å; L165-L194 HydrophobicContact CD1-CD2 4.13Å; L165-L194 HydrophobicContact CD1-CG 4.46Å; L165-L412 HydrophobicContact CD2-CB 4.11Å; L165-L412 HydrophobicContact CD2-CD1 3.61Å
166I92.1Very high85.6Confident8 Ų845.8 Ų45.84%0.04124%0.239CC..Hα-helixtrans-62.9-41.3176.7-66.9163000110.1T162 E163 A169 K170 A186 E187 V190T162-I166 VanDerWaalsContact O-CG1 3.31Å; T162-I166 WeakPolarHBondContact O-CG1 3.44Å; T162-I166 PolarHBondContact O-N 3.42Å; E163-I166 PolarHBondContact O-N 3.09Å; I166-A169 PolarHBondContact O-N 3.49Å; I166-K170 HydrophobicContact CG2-CD 3.92Å; I166-K170 HydrophobicContact CG2-CG 4.3Å; I166-K170 WeakPolarHBondContact O-CB 3.49Å; I166-K170 WeakPolarHBondContact O-CG 3.43Å; I166-K170 PolarHBondContact O-N 3.14Å; I166-A186 HydrophobicContact CG2-CB 4.08Å; I166-E187 HydrophobicContact CD1-CG 3.8Å; I166-E187 HydrophobicContact CG1-CG 4.19Å; I166-E187 HydrophobicContact CG2-CG 4.23Å; I166-V190 HydrophobicContact CG1-CB 4.23Å; I166-V190 HydrophobicContact CG1-CG1 4.39Å; I166-V190 HydrophobicContact CG1-CG2 3.94Å
167Q90.6Very high85.8Confident27 Ų2741.3 Ų41.313%0.12622%0.218CC..Hα-helixtrans-66.7-39.3178.9-65.7-65.6-14.200112.4E163 P164 L165 K170 T171 H505E163-Q167 HydrophobicContact CG-CG 4.43Å; E163-Q167 VanDerWaalsContact O-CG 3.31Å; E163-Q167 WeakPolarHBondContact O-CG 3.37Å; E163-Q167 PolarHBondContact O-N 3Å; E163-Q167 PolarHBondContact OE1-NE2 2.84Å; P164-Q167 PolarHBondContact O-N 2.91Å; L165-Q167 VanDerWaalsContact C-N 3.32Å; L165-Q167 PolarHBondContact O-N 3.22Å; Q167-K170 PolarHBondContact O-N 3.08Å; Q167-T171 PolarHBondContact O-N 3.41Å; Q167-T171 VanDerWaalsContact O-N 3.14Å; Q167-T171 PolarHBondContact O-OG1 3.39Å; Q167-T171 VanDerWaalsContact O-OG1 3.13Å; Q167-H505 HydrophobicContact CB-CB 4.41Å
168T90.8Very high86.3Confident0 Ų039.6 Ų39.60%021%0.207CC..Hα-helixtrans-64.5-46.8173.2-50.30000111.2P164 L165 K170 T171 T172 V408 L412 I507P164-T168 PolarHBondContact O-N 2.79Å; P164-T168 VanDerWaalsContact O-N 3.11Å; P164-T168 PolarHBondContact O-OG1 2.86Å; L165-T168 PolarHBondContact O-N 3.31Å; T168-K170 VanDerWaalsContact C-N 3.3Å; T168-K170 PolarHBondContact O-N 3.02Å; T168-T171 WeakPolarHBondContact O-CB 3.46Å; T168-T171 PolarHBondContact O-N 2.79Å; T168-T172 PolarHBondContact O-N 3.32Å; T168-V408 HydrophobicContact CG2-CG1 3.63Å; T168-L412 HydrophobicContact CG2-CD1 3.9Å; T168-I507 HydrophobicContact CG2-CG2 4.3Å
169A92.4Very high86.6Confident0 Ų039.4 Ų39.40%021%0.206CC..Hα-helixtrans-62.2-36177.200000112.7L165 I166 T171 T172 L173 A186 V190 I409L165-A169 WeakPolarHBondContact O-CB 3.45Å; L165-A169 PolarHBondContact O-N 2.92Å; I166-A169 PolarHBondContact O-N 3.49Å; A169-T171 VanDerWaalsContact C-N 3.28Å; A169-T171 PolarHBondContact O-N 2.71Å; A169-T172 PolarHBondContact O-N 3.05Å; A169-L173 WeakPolarHBondContact O-CB 3.31Å; A169-L173 WeakPolarHBondContact O-CG 3.28Å; A169-L173 PolarHBondContact O-N 3.29Å; A169-A186 HydrophobicContact CB-CB 3.8Å; A169-V190 HydrophobicContact CB-CG2 4.45Å; A169-I409 HydrophobicContact CB-CD1 4.05Å; A169-I409 HydrophobicContact CB-CG1 4.23Å
170K92.9Very high87Confident40 Ų4038.7 Ų38.717%0.17421%0.211CC..Hα-helixtrans-62.6-33.7173.2-80171.466.8-152.40112.8I166 Q167 T168 G174 R183 A186I166-K170 HydrophobicContact CG2-CD 3.92Å; I166-K170 HydrophobicContact CG2-CG 4.3Å; I166-K170 WeakPolarHBondContact O-CB 3.49Å; I166-K170 WeakPolarHBondContact O-CG 3.43Å; I166-K170 PolarHBondContact O-N 3.14Å; Q167-K170 PolarHBondContact O-N 3.08Å; T168-K170 VanDerWaalsContact C-N 3.3Å; T168-K170 PolarHBondContact O-N 3.02Å; K170-G174 PolarHBondContact O-N 2.77Å; K170-R183 HydrophobicContact CD-CB 4.45Å; K170-R183 HydrophobicContact CD-CG 4.5Å; K170-A186 HydrophobicContact CG-CB 3.75Å
171T91.5Very high87.5Confident33 Ų3330.3 Ų30.320%0.20218%0.177CC..Hα-helixtrans-64.6-49.8176.2-59.20000110Q167 T168 A169 L173 G174 H505 V506 I507Q167-T171 PolarHBondContact O-N 3.41Å; Q167-T171 VanDerWaalsContact O-N 3.14Å; Q167-T171 PolarHBondContact O-OG1 3.39Å; Q167-T171 VanDerWaalsContact O-OG1 3.13Å; T168-T171 WeakPolarHBondContact O-CB 3.46Å; T168-T171 PolarHBondContact O-N 2.79Å; A169-T171 VanDerWaalsContact C-N 3.28Å; A169-T171 PolarHBondContact O-N 2.71Å; T171-L173 PolarHBondContact O-N 2.89Å; T171-G174 PolarHBondContact O-N 2.9Å; T171-G174 VanDerWaalsContact O-N 3.14Å; T171-H505 PolarHBondContact OG1-O 2.98Å; T171-H505 VanDerWaalsContact OG1-O 3.13Å; T171-V506 HydrophobicContact CG2-CG1 3.85Å; T171-I507 WeakPolarHBondContact CB-O 3.44Å; T171-I507 PolarHBondContact OG1-N 3.43Å
172T90.6Very high87.5Confident7 Ų728.6 Ų28.64%0.04317%0.166CC..Hα-helixtrans-63.4-36.6178.1-60.10000113.4D104 T168 A169 G174 K176 D404 V408D104-T172 WeakPolarHBondContact OD2-CG2 3.31Å; D104-T172 PolarHBondContact OD2-OG1 2.96Å; D104-T172 VanDerWaalsContact OD2-OG1 3.08Å; T168-T172 PolarHBondContact O-N 3.32Å; A169-T172 PolarHBondContact O-N 3.05Å; T172-G174 VanDerWaalsContact C-N 3.3Å; T172-K176 WeakPolarHBondContact O-CE 3.33Å; T172-D404 HydrophobicContact CG2-CB 4.09Å; T172-V408 HydrophobicContact CG2-CG2 4.08Å
173L91Very high87.7Confident0 Ų031.8 Ų31.80%017%0.174CC..Hα-helixtrans-78.5-14.5177.3-68172.7000113.3A169 T171 S175 K176 H182 M185 A186 S401 A405A169-L173 WeakPolarHBondContact O-CB 3.31Å; A169-L173 WeakPolarHBondContact O-CG 3.28Å; A169-L173 PolarHBondContact O-N 3.29Å; T171-L173 PolarHBondContact O-N 2.89Å; L173-S175 VanDerWaalsContact C-N 3.27Å; L173-S175 PolarHBondContact O-N 2.81Å; L173-K176 PolarHBondContact O-N 2.98Å; L173-H182 HydrophobicContact CB-CB 3.95Å; L173-M185 HydrophobicContact CD1-CB 3.83Å; L173-A186 HydrophobicContact CD1-CB 4.09Å; L173-S401 WeakPolarHBondContact CD2-O 3.42Å; L173-A405 HydrophobicContact CD1-CB 4.16Å; L173-A405 HydrophobicContact CD2-CB 4.02Å; L173-A405 HydrophobicContact CG-CB 4.01Å
174G87Confident87.9Confident12 Ų1231.9 Ų31.912%0.12418%0.175CC..THydrogen-bonded Turntrans-67-23.4-174.600000114.5K170 T171 T172 N179K170-G174 PolarHBondContact O-N 2.77Å; T171-G174 PolarHBondContact O-N 2.9Å; T171-G174 VanDerWaalsContact O-N 3.14Å; T172-G174 VanDerWaalsContact C-N 3.3Å; G174-N179 PolarHBondContact O-ND2 3.07Å
175S84.7Confident88.1Confident30 Ų3030.2 Ų30.221%0.2116%0.164CC..THydrogen-bonded Turntrans-95.810.8179.462.80000114.9G53 N72 L173G53-S175 WeakPolarHBondContact O-CB 2.95Å; N72-S175 PolarHBondContact ND2-O 2.89Å; L173-S175 VanDerWaalsContact C-N 3.27Å; L173-S175 PolarHBondContact O-N 2.81Å
176K85.1Confident88.2Confident16 Ų1630.2 Ų30.27%0.0716%0.163CC..SBendtrans-122.5168.1-171.5-55.5-177.7-171.4169.10111.5T172 L173 V178 N179 S401 D404T172-K176 WeakPolarHBondContact O-CE 3.33Å; L173-K176 PolarHBondContact O-N 2.98Å; K176-V178 PolarHBondContact O-N 3.46Å; K176-N179 VanDerWaalsContact O-CB 3.29Å; K176-N179 WeakPolarHBondContact O-CB 3.44Å; K176-N179 PolarHBondContact O-N 3.11Å; K176-S401 WeakPolarHBondContact CB-OG 3.27Å; K176-S401 VanDerWaalsContact CD-OG 3.27Å; K176-S401 WeakPolarHBondContact CD-OG 3.36Å; K176-D404 IonicContact NZ-OD2 2.89Å; K176-D404 PolarHBondContact NZ-OD2 3.33Å
177V80.5Confident88.3Confident53 Ų5333 Ų3332%0.32118%0.176SC..G310 helixtrans-52.3-27178-179.20000112.8D58 N179 E397D58-V177 WeakPolarHBondContact OD2-CG2 3.47Å; V177-N179 PolarHBondContact O-N 3.19Å; V177-E397 HydrophobicContact CB-CG 4.14Å; V177-E397 HydrophobicContact CG2-CG 3.75Å
178V81.3Confident88.5Confident1 Ų132.3 Ų32.31%0.00617%0.174CC..G310 helixtrans-73.4-2.2-179.5-156.50000113.6K176 S180 C181 H182 M185 A398 S401K176-V178 PolarHBondContact O-N 3.46Å; V178-S180 PolarHBondContact O-N 3.48Å; V178-C181 CarbonylContact O-C 3.55Å; V178-C181 PolarHBondContact O-N 2.86Å; V178-H182 PolarHBondContact O-N 3.12Å; V178-M185 HydrophobicContact CG1-CB 3.95Å; V178-M185 HydrophobicContact CG1-CE 3.54Å; V178-M185 HydrophobicContact CG1-CG 3.38Å; V178-M185 HydrophobicContact CG1-SD 3.18Å; V178-M185 WeakPolarHBondContact CG1-SD 3.31Å; V178-A398 HydrophobicContact CG2-CB 4.37Å; V178-S401 WeakPolarHBondContact CG2-OG 3.47Å
179N80.9Confident88.6Confident72 Ų7232.3 Ų32.339%0.38517%0.174SC..G310 helixtrans-49.6-37.9-178.6-168.66.5000112.8G174 K176 V177 C181 H182G174-N179 PolarHBondContact O-ND2 3.07Å; K176-N179 VanDerWaalsContact O-CB 3.29Å; K176-N179 WeakPolarHBondContact O-CB 3.44Å; K176-N179 PolarHBondContact O-N 3.11Å; V177-N179 PolarHBondContact O-N 3.19Å; N179-C181 VanDerWaalsContact C-N 3.25Å; N179-C181 PolarHBondContact O-N 3.26Å; N179-H182 PolarHBondContact O-N 3.21Å; N179-H182 PolarHBondContact OD1-ND1 2.88Å
180S82.6Confident88.7Confident98 Ų9832.4 Ų32.469%0.68517%0.174SC*.G310 helixtrans-55.4-34.9176.759.50000114.6V178V178-S180 PolarHBondContact O-N 3.48Å
181C85Confident88.7Confident15 Ų1534.1 Ų34.110%0.10119%0.185CC..G310 helixtrans-122.922.4-175.4-58.10000112.1V178 N179 R183 Q184 M185V178-C181 CarbonylContact O-C 3.55Å; V178-C181 PolarHBondContact O-N 2.86Å; N179-C181 VanDerWaalsContact C-N 3.25Å; N179-C181 PolarHBondContact O-N 3.26Å; C181-R183 PolarHBondContact O-N 3.02Å; C181-R183 VanDerWaalsContact O-N 3.11Å; C181-Q184 PolarHBondContact O-N 3.18Å; C181-M185 PolarHBondContact O-N 2.75Å
182H85.2Confident88.7Confident53 Ų5332.6 Ų32.625%0.24518%0.176CC..Hα-helixtrans-61.8-27-167.166.7173.5000114.5L173 V178 N179 A186L173-H182 HydrophobicContact CB-CB 3.95Å; V178-H182 PolarHBondContact O-N 3.12Å; N179-H182 PolarHBondContact O-N 3.21Å; N179-H182 PolarHBondContact OD1-ND1 2.88Å; H182-A186 WeakPolarHBondContact O-CB 3.35Å; H182-A186 PolarHBondContact O-N 3.11Å
183R91.1Very high88.8Confident101 Ų10132.2 Ų32.238%0.38117%0.174SC..Hα-helixtrans-70.9-48.4177.9-178.8170.9-178.8103.816.8110.8E163 K170 C181 M185 A186 E187E163-R183 IonicContact OE1-CZ 2.67Å; E163-R183 IonicContact OE1-NH1 3.99Å; E163-R183 PolarHBondContact OE1-NH1 3.01Å; E163-R183 IonicContact OE1-NH2 3.76Å; E163-R183 IonicContact OE2-CZ 3.12Å; E163-R183 IonicContact OE2-NH1 2.55Å; E163-R183 IonicContact OE2-NH2 2.72Å; E163-R183 PolarHBondContact OE2-NH2 2.99Å; K170-R183 HydrophobicContact CD-CB 4.45Å; K170-R183 HydrophobicContact CD-CG 4.5Å; C181-R183 PolarHBondContact O-N 3.02Å; C181-R183 VanDerWaalsContact O-N 3.11Å; R183-M185 VanDerWaalsContact C-N 3.31Å; R183-M185 PolarHBondContact O-N 3.2Å; R183-A186 PolarHBondContact O-N 3.09Å; R183-E187 WeakPolarHBondContact CG-OE1 3.42Å; R183-E187 IonicContact CZ-OE1 2.68Å; R183-E187 IonicContact NE-OE1 3.64Å; R183-E187 PolarHBondContact NE-OE1 2.84Å; R183-E187 IonicContact NH2-OE1 3.88Å; R183-E187 PolarHBondContact NH2-OE1 2.86Å; R183-E187 WeakPolarHBondContact O-CB 3.27Å; R183-E187 WeakPolarHBondContact O-CG 3.3Å; R183-E187 PolarHBondContact O-N 2.83Å
184Q92Very high88.8Confident67 Ų6733.9 Ų33.931%0.31318%0.182SC..Hα-helixtrans-61.6-42.6176.7-179-177.3-0.600110.8C181 E187 I188 E220 T222C181-Q184 PolarHBondContact O-N 3.18Å; Q184-E187 PolarHBondContact O-N 3.49Å; Q184-I188 HydrophobicContact CG-CD1 4.06Å; Q184-I188 WeakPolarHBondContact O-CB 3.45Å; Q184-I188 VanDerWaalsContact O-CG1 3.27Å; Q184-I188 WeakPolarHBondContact O-CG1 3.22Å; Q184-I188 PolarHBondContact O-N 3.34Å; Q184-E220 PolarHBondContact NE2-O 3.3Å; Q184-E220 PolarHBondContact OE1-O 3.44Å; Q184-T222 PolarHBondContact NE2-O 2.52Å; Q184-T222 VanDerWaalsContact NE2-O 3.11Å
185M92.6Very high88.8Confident1 Ų135 Ų351%0.00519%0.187CC..Hα-helixtrans-67-40178-69.6-119.9-175.500112.3L173 V178 C181 R183 I188 A189 L219 T222 A398 L402L173-M185 HydrophobicContact CD1-CB 3.83Å; V178-M185 HydrophobicContact CG1-CB 3.95Å; V178-M185 HydrophobicContact CG1-CE 3.54Å; V178-M185 HydrophobicContact CG1-CG 3.38Å; V178-M185 HydrophobicContact CG1-SD 3.18Å; V178-M185 WeakPolarHBondContact CG1-SD 3.31Å; C181-M185 PolarHBondContact O-N 2.75Å; R183-M185 VanDerWaalsContact C-N 3.31Å; R183-M185 PolarHBondContact O-N 3.2Å; M185-I188 PolarHBondContact O-N 2.9Å; M185-A189 WeakPolarHBondContact O-CB 3.28Å; M185-A189 PolarHBondContact O-N 3.38Å; M185-L219 HydrophobicContact CE-CB 4.48Å; M185-L219 HydrophobicContact CE-CD2 3.83Å; M185-T222 HydrophobicContact CE-CG2 4.22Å; M185-A398 HydrophobicContact CE-CB 4.41Å; M185-L402 HydrophobicContact CB-CD2 4.13Å; M185-L402 HydrophobicContact SD-CD1 3.72Å; M185-L402 HydrophobicContact SD-CD2 3.93Å; M185-L402 HydrophobicContact SD-CG 3.77Å
186A93.1Very high89Confident0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-62.1-45.617300000111.7I166 A169 K170 L173 H182 R183 I188 A189 V190I166-A186 HydrophobicContact CG2-CB 4.08Å; A169-A186 HydrophobicContact CB-CB 3.8Å; K170-A186 HydrophobicContact CG-CB 3.75Å; L173-A186 HydrophobicContact CD1-CB 4.09Å; H182-A186 WeakPolarHBondContact O-CB 3.35Å; H182-A186 PolarHBondContact O-N 3.11Å; R183-A186 PolarHBondContact O-N 3.09Å; A186-I188 VanDerWaalsContact C-N 3.32Å; A186-I188 PolarHBondContact O-N 3.13Å; A186-A189 PolarHBondContact O-N 3.14Å; A186-V190 WeakPolarHBondContact O-CB 3.25Å; A186-V190 VanDerWaalsContact O-CG2 3.28Å; A186-V190 WeakPolarHBondContact O-CG2 3.23Å; A186-V190 PolarHBondContact O-N 3.42Å
187E93.9Very high89Confident66 Ų6634 Ų3431%0.30818%0.182SC..Hα-helixtrans-60.5-41.2175.6-74.8171-170.300111.5I166 R183 Q184 N191I166-E187 HydrophobicContact CD1-CG 3.8Å; I166-E187 HydrophobicContact CG1-CG 4.19Å; I166-E187 HydrophobicContact CG2-CG 4.23Å; R183-E187 WeakPolarHBondContact CG-OE1 3.42Å; R183-E187 IonicContact CZ-OE1 2.68Å; R183-E187 IonicContact NE-OE1 3.64Å; R183-E187 PolarHBondContact NE-OE1 2.84Å; R183-E187 IonicContact NH2-OE1 3.88Å; R183-E187 PolarHBondContact NH2-OE1 2.86Å; R183-E187 WeakPolarHBondContact O-CB 3.27Å; R183-E187 WeakPolarHBondContact O-CG 3.3Å; R183-E187 PolarHBondContact O-N 2.83Å; Q184-E187 PolarHBondContact O-N 3.49Å; E187-N191 VanDerWaalsContact O-CB 3.25Å; E187-N191 WeakPolarHBondContact O-CB 3.45Å; E187-N191 PolarHBondContact O-N 3.41Å; E187-N191 PolarHBondContact O-ND2 2.97Å
188I94Very high89.2Confident14 Ų1433.5 Ų33.57%0.07218%0.178CC..Hα-helixtrans-63.1-47.5175.3-74169.1000111.1Q184 M185 A186 N191 A192 T222 L224 I385Q184-I188 HydrophobicContact CG-CD1 4.06Å; Q184-I188 WeakPolarHBondContact O-CB 3.45Å; Q184-I188 VanDerWaalsContact O-CG1 3.27Å; Q184-I188 WeakPolarHBondContact O-CG1 3.22Å; Q184-I188 PolarHBondContact O-N 3.34Å; M185-I188 PolarHBondContact O-N 2.9Å; A186-I188 VanDerWaalsContact C-N 3.32Å; A186-I188 PolarHBondContact O-N 3.13Å; I188-N191 PolarHBondContact O-N 3.03Å; I188-A192 VanDerWaalsContact O-CB 3.3Å; I188-A192 WeakPolarHBondContact O-CB 3.35Å; I188-A192 PolarHBondContact O-N 3.24Å; I188-T222 HydrophobicContact CD1-CG2 4.05Å; I188-T222 WeakPolarHBondContact CD1-O 3.43Å; I188-L224 HydrophobicContact CG1-CB 4.42Å; I188-L224 HydrophobicContact CG2-CB 4.16Å; I188-I385 HydrophobicContact CG2-CD1 4.21Å; I188-I385 HydrophobicContact CG2-CG1 4.06Å; I188-I385 HydrophobicContact CG2-CG2 3.84Å
189A93.8Very high89.3Confident0 Ų037 Ų370%020%0.195CC..Hα-helixtrans-62.3-45.9-18000000111.5M185 A186 A192 V193 L402 A405 L406 I409M185-A189 WeakPolarHBondContact O-CB 3.28Å; M185-A189 PolarHBondContact O-N 3.38Å; A186-A189 PolarHBondContact O-N 3.14Å; A189-A192 PolarHBondContact O-N 3.41Å; A189-V193 WeakPolarHBondContact O-CG2 3.45Å; A189-V193 PolarHBondContact O-N 2.9Å; A189-L402 HydrophobicContact CB-CD2 4.36Å; A189-A405 HydrophobicContact CB-CB 4.04Å; A189-L406 HydrophobicContact CB-CD2 3.98Å; A189-L406 HydrophobicContact CB-CG 4.44Å; A189-I409 HydrophobicContact CB-CD1 3.71Å
190V93.4Very high89.4Confident1 Ų142.4 Ų42.41%0.00622%0.218CC..Hα-helixtrans-62.6-46.9177.5173.50000111.1T162 L165 I166 A169 A186 A192 V193 L194 I409T162-V190 HydrophobicContact CG2-CG1 4.32Å; L165-V190 HydrophobicContact CB-CG1 3.97Å; L165-V190 HydrophobicContact CB-CG2 3.84Å; L165-V190 HydrophobicContact CD1-CG1 4.05Å; I166-V190 HydrophobicContact CG1-CB 4.23Å; I166-V190 HydrophobicContact CG1-CG1 4.39Å; I166-V190 HydrophobicContact CG1-CG2 3.94Å; A169-V190 HydrophobicContact CB-CG2 4.45Å; A186-V190 WeakPolarHBondContact O-CB 3.25Å; A186-V190 VanDerWaalsContact O-CG2 3.28Å; A186-V190 WeakPolarHBondContact O-CG2 3.23Å; A186-V190 PolarHBondContact O-N 3.42Å; V190-A192 VanDerWaalsContact C-N 3.31Å; V190-A192 PolarHBondContact O-N 3.32Å; V190-V193 PolarHBondContact O-N 3.04Å; V190-L194 HydrophobicContact CG1-CD1 3.62Å; V190-L194 HydrophobicContact CG1-CG 4.2Å; V190-L194 WeakPolarHBondContact O-CB 3.4Å; V190-L194 VanDerWaalsContact O-CG 3.26Å; V190-L194 WeakPolarHBondContact O-CG 3.36Å; V190-L194 PolarHBondContact O-N 2.7Å; V190-I409 HydrophobicContact CB-CD1 4.24Å; V190-I409 HydrophobicContact CG2-CD1 3.48Å; V190-I409 VanDerWaalsContact CG2-CD1 3.48Å; V190-I409 HydrophobicContact CG2-CG1 4.02Å
191N92.4Very high89.5Confident77 Ų7747.3 Ų47.341%0.41222%0.221SC..Hα-helixtrans-64.1-36.8178.1-74-41.6000112.4E187 I188 T195 L224E187-N191 VanDerWaalsContact O-CB 3.25Å; E187-N191 WeakPolarHBondContact O-CB 3.45Å; E187-N191 PolarHBondContact O-N 3.41Å; E187-N191 PolarHBondContact O-ND2 2.97Å; I188-N191 PolarHBondContact O-N 3.03Å; N191-T195 WeakPolarHBondContact O-CB 3.5Å; N191-T195 PolarHBondContact O-N 2.83Å; N191-T195 PolarHBondContact O-OG1 3.22Å; N191-L224 HydrophobicContact CB-CD2 3.58Å
192A93.2Very high89.5Confident0 Ų053.5 Ų53.50%024%0.243CC..Hα-helixtrans-63.3-53.6176.200000110.7I188 A189 V190 L194 T195 V196 I209 L224 V383 I385 L406I188-A192 VanDerWaalsContact O-CB 3.3Å; I188-A192 WeakPolarHBondContact O-CB 3.35Å; I188-A192 PolarHBondContact O-N 3.24Å; A189-A192 PolarHBondContact O-N 3.41Å; V190-A192 VanDerWaalsContact C-N 3.31Å; V190-A192 PolarHBondContact O-N 3.32Å; A192-L194 PolarHBondContact O-N 2.96Å; A192-T195 PolarHBondContact O-N 2.8Å; A192-V196 WeakPolarHBondContact O-CG2 3.23Å; A192-V196 PolarHBondContact O-N 3.47Å; A192-I209 HydrophobicContact CB-CD1 4.37Å; A192-I209 HydrophobicContact CB-CG2 4.47Å; A192-L224 HydrophobicContact CB-CD1 3.83Å; A192-L224 HydrophobicContact CB-CD2 4.44Å; A192-V383 HydrophobicContact CB-CG2 4.07Å; A192-I385 HydrophobicContact CB-CD1 3.95Å; A192-I385 HydrophobicContact CB-CG1 4.25Å; A192-L406 HydrophobicContact CB-CD2 4.13Å
193V92.6Very high89.6Confident0 Ų054.4 Ų54.40%025%0.249CC..Hα-helixtrans-62.3-46.4-179176.30000111.4A189 V190 T195 V196 A197 V204 I209 L406 I409 I413A189-V193 WeakPolarHBondContact O-CG2 3.45Å; A189-V193 PolarHBondContact O-N 2.9Å; V190-V193 PolarHBondContact O-N 3.04Å; V193-T195 PolarHBondContact O-N 3.12Å; V193-V196 PolarHBondContact O-N 2.79Å; V193-V196 VanDerWaalsContact O-N 3.08Å; V193-A197 HydrophobicContact CG1-CB 4.46Å; V193-A197 WeakPolarHBondContact O-CB 3.35Å; V193-A197 PolarHBondContact O-N 2.72Å; V193-V204 HydrophobicContact CG1-CB 4.42Å; V193-V204 HydrophobicContact CG1-CG1 3.82Å; V193-V204 HydrophobicContact CG1-CG2 3.71Å; V193-I209 HydrophobicContact CG2-CD1 4.26Å; V193-L406 HydrophobicContact CG2-CB 4.3Å; V193-L406 HydrophobicContact CG2-CD2 3.47Å; V193-L406 VanDerWaalsContact CG2-CD2 3.47Å; V193-I409 HydrophobicContact CB-CB 4.46Å; V193-I409 HydrophobicContact CB-CG2 3.84Å; V193-I409 HydrophobicContact CG1-CB 4.49Å; V193-I409 HydrophobicContact CG1-CG2 3.76Å; V193-I409 HydrophobicContact CG2-CB 4.2Å; V193-I409 HydrophobicContact CG2-CG2 4.14Å; V193-I413 HydrophobicContact CG1-CD1 3.37Å
194L89.7Confident89.4Confident35 Ų3549.9 Ų49.918%0.18323%0.233CC..Hα-helixtrans-63.3-26.4179.7-70.2175.8000113.3T162 L165 V190 A192T162-L194 HydrophobicContact CG2-CD1 3.47Å; T162-L194 VanDerWaalsContact CG2-CD1 3.47Å; L165-L194 HydrophobicContact CD1-CD1 4.28Å; L165-L194 HydrophobicContact CD1-CD2 4.13Å; L165-L194 HydrophobicContact CD1-CG 4.46Å; V190-L194 HydrophobicContact CG1-CD1 3.62Å; V190-L194 HydrophobicContact CG1-CG 4.2Å; V190-L194 WeakPolarHBondContact O-CB 3.4Å; V190-L194 VanDerWaalsContact O-CG 3.26Å; V190-L194 WeakPolarHBondContact O-CG 3.36Å; V190-L194 PolarHBondContact O-N 2.7Å; A192-L194 PolarHBondContact O-N 2.96Å
195T88.3Confident89.2Confident36 Ų3650.3 Ų50.322%0.22124%0.237CC..Hα-helixtrans-74.6-30.9176.6-59.40000111.9N191 A192 V193 S380 V383N191-T195 WeakPolarHBondContact O-CB 3.5Å; N191-T195 PolarHBondContact O-N 2.83Å; N191-T195 PolarHBondContact O-OG1 3.22Å; A192-T195 PolarHBondContact O-N 2.8Å; V193-T195 PolarHBondContact O-N 3.12Å; T195-S380 WeakPolarHBondContact CG2-O 2.97Å; T195-V383 HydrophobicContact CG2-CG1 3.63Å
196V88.9Confident89.1Confident8 Ų852.6 Ų52.65%0.04825%0.247CC..Hα-helixtrans-96.5-30.2-175.2179.20000112.5A192 V193 D198 D205 L208 I209 R381 V383A192-V196 WeakPolarHBondContact O-CG2 3.23Å; A192-V196 PolarHBondContact O-N 3.47Å; V193-V196 PolarHBondContact O-N 2.79Å; V193-V196 VanDerWaalsContact O-N 3.08Å; V196-D198 PolarHBondContact O-N 3.07Å; V196-D205 WeakPolarHBondContact CG1-O 3.38Å; V196-L208 HydrophobicContact CG1-CB 3.54Å; V196-L208 HydrophobicContact CG1-CD1 3.68Å; V196-L208 HydrophobicContact CG1-CG 4.18Å; V196-L208 HydrophobicContact CG2-CB 4.32Å; V196-I209 HydrophobicContact CB-CD1 4.32Å; V196-I209 HydrophobicContact CB-CG1 4.22Å; V196-I209 HydrophobicContact CG1-CG1 4.35Å; V196-I209 HydrophobicContact CG2-CD1 4.02Å; V196-I209 HydrophobicContact CG2-CG1 3.55Å; V196-R381 WeakPolarHBondContact CG2-O 3.29Å; V196-V383 HydrophobicContact CG2-CG2 3.77Å
197A85.2Confident88.8Confident16 Ų1660.1 Ų60.113%0.13228%0.282CS..  trans-60.2132.2-171.500000112.6V193 M199 V204 I413V193-A197 HydrophobicContact CG1-CB 4.46Å; V193-A197 WeakPolarHBondContact O-CB 3.35Å; V193-A197 PolarHBondContact O-N 2.72Å; A197-M199 HydrophobicContact CB-SD 4.34Å; A197-M199 PolarHBondContact O-N 3.36Å; A197-V204 HydrophobicContact CB-CG2 4.06Å; A197-I413 HydrophobicContact CB-CD1 3.85Å
198D85Confident88.7Confident42 Ų4258 Ų5823%0.22527%0.273CS..BIsolated β-bridgetrans-89.6100.5166.2-171.6-28.9000108.3V196 E200 R201 R202 D203V196-D198 PolarHBondContact O-N 3.07Å; D198-E200 PolarHBondContact O-N 3.18Å; D198-E200 WeakPolarHBondContact OD1-CB 3.19Å; D198-E200 PolarHBondContact OD1-N 2.93Å; D198-R201 HydrophobicContact CB-CB 4.2Å; D198-R201 PolarHBondContact O-N 3.36Å; D198-R201 PolarHBondContact OD1-N 2.88Å; D198-R202 WeakPolarHBondContact O-CA 3.46Å; D198-R202 PolarHBondContact O-N 2.96Å; D198-D203 PolarHBondContact N-O 3.39Å; D198-D203 PolarHBondContact O-N 3.21Å
199M81.9Confident88.6Confident74 Ų7458 Ų5837%0.36527%0.273SS..THydrogen-bonded Turntrans-66.1-23.2-177.2-61.6-62.3-79.800113V157 I159 A197V157-M199 HydrophobicContact CG1-CE 4.01Å; I159-M199 HydrophobicContact CG1-CE 4.45Å; A197-M199 HydrophobicContact CB-SD 4.34Å; A197-M199 PolarHBondContact O-N 3.36Å
200E82.8Confident88.6Confident186 Ų18659.2 Ų59.287%0.86928%0.278SS*.THydrogen-bonded Turntrans-75.6-42.8177.2-62.6-174.5173.400110.6D198 R202D198-E200 PolarHBondContact O-N 3.18Å; D198-E200 WeakPolarHBondContact OD1-CB 3.19Å; D198-E200 PolarHBondContact OD1-N 2.93Å; E200-R202 VanDerWaalsContact C-N 3.34Å
201R85.3Confident88.5Confident202 Ų20261.3 Ų61.376%0.76229%0.291SS*.THydrogen-bonded Turntrans-81.4-15176.7-66.9-176173.2-170.6-1113.5D198 D203D198-R201 HydrophobicContact CB-CB 4.2Å; D198-R201 PolarHBondContact O-N 3.36Å; D198-R201 PolarHBondContact OD1-N 2.88Å; R201-D203 HydrophobicContact CB-CB 4.26Å; R201-D203 PolarHBondContact O-N 3.1Å
202R85.2Confident88.5Confident145 Ų14559.4 Ų59.455%0.54728%0.28SS..THydrogen-bonded Turntrans5140.3-169.9-61.3-175179.3-171.8-1.6112.1D198 E200 I413 R414D198-R202 WeakPolarHBondContact O-CA 3.46Å; D198-R202 PolarHBondContact O-N 2.96Å; E200-R202 VanDerWaalsContact C-N 3.34Å; R202-I413 HydrophobicContact CB-CG2 4.34Å; R202-R414 VanDerWaalsContact O-CG 3.3Å; R202-R414 WeakPolarHBondContact O-CG 3.42Å
203D86.7Confident88.4Confident72 Ų7260.1 Ų60.139%0.38529%0.287SS..BIsolated β-bridgetrans-124.1148.8-178.8-158.323000110.9D198 R201 R414D198-D203 PolarHBondContact N-O 3.39Å; D198-D203 PolarHBondContact O-N 3.21Å; R201-D203 HydrophobicContact CB-CB 4.26Å; R201-D203 PolarHBondContact O-N 3.1Å; D203-R414 IonicContact OD1-CZ 3.14Å; D203-R414 IonicContact OD1-NE 2.67Å; D203-R414 IonicContact OD1-NH2 2.65Å; D203-R414 PolarHBondContact OD1-NH2 3.48Å
204V87.9Confident88.3Confident6 Ų662 Ų624%0.03630%0.295CS..  trans-127.2113.9-179.5-176.10000107V193 A197 F206 R410 I413V193-V204 HydrophobicContact CG1-CB 4.42Å; V193-V204 HydrophobicContact CG1-CG1 3.82Å; V193-V204 HydrophobicContact CG1-CG2 3.71Å; A197-V204 HydrophobicContact CB-CG2 4.06Å; V204-F206 HydrophobicContact CG1-CD1 4.34Å; V204-F206 HydrophobicContact CG1-CE1 4.11Å; V204-R410 HydrophobicContact CB-CB 4.12Å; V204-R410 HydrophobicContact CB-CG 3.91Å; V204-R410 HydrophobicContact CG2-CB 4.04Å; V204-R410 HydrophobicContact CG2-CG 4.02Å; V204-I413 HydrophobicContact CG2-CD1 3.8Å; V204-I413 HydrophobicContact CG2-CG2 4.45Å
205D88.1Confident88.4Confident75 Ų7564.2 Ų64.240%0.40131%0.31SS..  trans-86.8110.3175.9-172.5-7.3000109.7V196 E207 L208V196-D205 WeakPolarHBondContact CG1-O 3.38Å; D205-E207 VanDerWaalsContact C-N 3.25Å; D205-E207 PolarHBondContact O-N 3.37Å; D205-E207 WeakPolarHBondContact OD1-CB 3.07Å; D205-E207 PolarHBondContact OD1-N 2.7Å; D205-L208 HydrophobicContact CB-CD1 4.16Å; D205-L208 HydrophobicContact CB-CG 4.29Å; D205-L208 PolarHBondContact O-N 3.37Å
206F89.4Confident88.3Confident50 Ų5063.7 Ų63.722%0.21931%0.311CS..G310 helixtrans-71.3-18.5178.9-71.1-47.1000113.4V204 L208 I209 L406 C407 R410V204-F206 HydrophobicContact CG1-CD1 4.34Å; V204-F206 HydrophobicContact CG1-CE1 4.11Å; F206-L208 PolarHBondContact O-N 2.76Å; F206-I209 HydrophobicContact CD1-CD1 4.32Å; F206-I209 PolarHBondContact O-N 3.13Å; F206-L406 HydrophobicContact CE1-CB 3.8Å; F206-L406 HydrophobicContact CZ-CB 4.34Å; F206-C407 HydrophobicContact CZ-CB 4.46Å; F206-R410 HydrophobicContact CZ-CB 3.89Å; F206-R410 HydrophobicContact CZ-CG 4.32Å
207E88.1Confident88.2Confident157 Ų15765 Ų6573%0.73433%0.327SS*.G310 helixtrans-62.7-25.7176.6-63.5-172.2168.200111.6D205 I209 L332D205-E207 VanDerWaalsContact C-N 3.25Å; D205-E207 PolarHBondContact O-N 3.37Å; D205-E207 WeakPolarHBondContact OD1-CB 3.07Å; D205-E207 PolarHBondContact OD1-N 2.7Å; E207-I209 VanDerWaalsContact C-N 3.33Å; E207-L332 VanDerWaalsContact O-CD2 3.27Å; E207-L332 WeakPolarHBondContact O-CD2 3.23Å
208L90.3Very high88.4Confident23 Ų2372.3 Ų72.312%0.1235%0.351CS..G310 helixtrans-81.1-9.1177.4-61179.5000113.9V196 D205 F206 I335 A382 V383V196-L208 HydrophobicContact CG1-CB 3.54Å; V196-L208 HydrophobicContact CG1-CD1 3.68Å; V196-L208 HydrophobicContact CG1-CG 4.18Å; V196-L208 HydrophobicContact CG2-CB 4.32Å; D205-L208 HydrophobicContact CB-CD1 4.16Å; D205-L208 HydrophobicContact CB-CG 4.29Å; D205-L208 PolarHBondContact O-N 3.37Å; F206-L208 PolarHBondContact O-N 2.76Å; L208-I335 HydrophobicContact CD2-CD1 3.92Å; L208-I335 HydrophobicContact CD2-CG2 3.83Å; L208-A382 WeakPolarHBondContact O-CA 3.44Å; L208-V383 PolarHBondContact O-N 2.88Å
209I92.5Very high88.6Confident14 Ų1471.5 Ų71.57%0.07235%0.346CS..EExtended strand (participates in β ladder)trans-108.297.2178.2-56.2-179.5000108.6A192 V193 V196 F206 E207 V211 V383 I385 L406A192-I209 HydrophobicContact CB-CD1 4.37Å; A192-I209 HydrophobicContact CB-CG2 4.47Å; V193-I209 HydrophobicContact CG2-CD1 4.26Å; V196-I209 HydrophobicContact CB-CD1 4.32Å; V196-I209 HydrophobicContact CB-CG1 4.22Å; V196-I209 HydrophobicContact CG1-CG1 4.35Å; V196-I209 HydrophobicContact CG2-CD1 4.02Å; V196-I209 HydrophobicContact CG2-CG1 3.55Å; F206-I209 HydrophobicContact CD1-CD1 4.32Å; F206-I209 PolarHBondContact O-N 3.13Å; E207-I209 VanDerWaalsContact C-N 3.33Å; I209-V211 HydrophobicContact CG2-CG2 4.49Å; I209-V383 WeakPolarHBondContact CA-O 3.4Å; I209-V383 HydrophobicContact CB-CG2 4.32Å; I209-V383 HydrophobicContact CG1-CG2 3.89Å; I209-V383 HydrophobicContact CG2-CG2 4.19Å; I209-I385 HydrophobicContact CG2-CD1 3.96Å; I209-I385 HydrophobicContact CG2-CG1 4.32Å; I209-L406 HydrophobicContact CD1-CD2 4.25Å; I209-L406 HydrophobicContact CG2-CD1 4.05Å
210K92.7Very high89Confident24 Ų2473 Ų7310%0.10435%0.353CS..EExtended strand (participates in β ladder)trans-79130.9174.7-163.1-172.5-164.6-152.30109.6E212 I229 E329 L332 V383 T384 I385K210-E212 HydrophobicContact CD-CG 3.83Å; K210-E212 WeakPolarHBondContact CE-OE1 3.15Å; K210-E212 HydrophobicContact CG-CG 4.11Å; K210-E212 IonicContact NZ-OE1 2.68Å; K210-E212 PolarHBondContact NZ-OE1 2.61Å; K210-I229 PolarHBondContact NZ-O 2.91Å; K210-E329 IonicContact NZ-OE1 2.71Å; K210-E329 PolarHBondContact NZ-OE1 3.33Å; K210-L332 HydrophobicContact CB-CD1 3.98Å; K210-L332 HydrophobicContact CD-CD1 4.02Å; K210-L332 HydrophobicContact CG-CD1 4.06Å; K210-V383 PolarHBondContact N-O 3.3Å; K210-T384 HydrophobicContact CB-CG2 4.04Å; K210-T384 HydrophobicContact CD-CG2 4.32Å; K210-T384 HydrophobicContact CG-CG2 4.38Å; K210-T384 CarbonylContact O-C 3.56Å; K210-T384 VanDerWaalsContact O-CA 3.22Å; K210-T384 WeakPolarHBondContact O-CA 3.28Å; K210-I385 PolarHBondContact O-N 2.85Å
211V93.3Very high89.4Confident45 Ų4567.4 Ų67.427%0.27333%0.328SS..EExtended strand (participates in β ladder)trans-111.6110.6172.6-172.50000109I209 I385 I387 K399I209-V211 HydrophobicContact CG2-CG2 4.49Å; V211-I385 HydrophobicContact CG2-CB 4.5Å; V211-I385 HydrophobicContact CG2-CD1 4.48Å; V211-I387 HydrophobicContact CG1-CD1 3.4Å; V211-I387 VanDerWaalsContact CG1-CD1 3.4Å; V211-I387 HydrophobicContact CG1-CG1 4.3Å; V211-K399 HydrophobicContact CG1-CB 4.41Å; V211-K399 HydrophobicContact CG1-CG 3.89Å
212E91.9Very high89.8Confident38 Ų3857.8 Ų57.818%0.17829%0.292CS..EExtended strand (participates in β ladder)trans-114.3135.5-179.1-80.4-65.1174.900111K210 T384 I385 F386 I387K210-E212 HydrophobicContact CD-CG 3.83Å; K210-E212 WeakPolarHBondContact CE-OE1 3.15Å; K210-E212 HydrophobicContact CG-CG 4.11Å; K210-E212 IonicContact NZ-OE1 2.68Å; K210-E212 PolarHBondContact NZ-OE1 2.61Å; E212-T384 HydrophobicContact CB-CG2 4.2Å; E212-T384 HydrophobicContact CG-CG2 4.24Å; E212-I385 PolarHBondContact N-O 3.46Å; E212-F386 HydrophobicContact CB-CD2 4.41Å; E212-F386 CarbonylContact O-C 3.53Å; E212-F386 WeakPolarHBondContact O-CA 3.24Å; E212-I387 PolarHBondContact O-N 3.38Å
213G91.4Very high90.1Very high14 Ų1457.2 Ų57.214%0.14429%0.294CS..EExtended strand (participates in β ladder)trans-127.5128.2-177.300000111.8I387G213-I387 WeakPolarHBondContact CA-O 3.46Å
214K90.5Very high90.5Very high40 Ų4055.7 Ų55.717%0.17429%0.286CS..EExtended strand (participates in β ladder)trans-128.2137.5174.7-75.6-64.4-173.8169.60112.6D231 M371 F386 I387 I395K214-D231 VanDerWaalsContact CE-CG 3.46Å; K214-D231 WeakPolarHBondContact CE-OD1 3.46Å; K214-D231 WeakPolarHBondContact CE-OD2 3.38Å; K214-D231 IonicContact NZ-OD1 3.1Å; K214-D231 PolarHBondContact NZ-OD1 2.79Å; K214-D231 IonicContact NZ-OD2 2.74Å; K214-D231 PolarHBondContact NZ-OD2 2.83Å; K214-M371 HydrophobicContact CB-CE 4.23Å; K214-M371 HydrophobicContact CD-CE 4.49Å; K214-M371 HydrophobicContact CD-SD 4.14Å; K214-M371 WeakPolarHBondContact CE-SD 3.32Å; K214-M371 HydrophobicContact CG-CE 3.46Å; K214-M371 VanDerWaalsContact CG-CE 3.46Å; K214-M371 HydrophobicContact CG-SD 3.56Å; K214-M371 VanDerWaalsContact CG-SD 3.56Å; K214-F386 HydrophobicContact CB-CE2 3.94Å; K214-F386 HydrophobicContact CB-CZ 4.12Å; K214-F386 HydrophobicContact CG-CE2 4Å; K214-F386 HydrophobicContact CG-CZ 4.44Å; K214-I387 PolarHBondContact N-O 2.98Å; K214-I395 VanDerWaalsContact O-CD1 3.24Å; K214-I395 WeakPolarHBondContact O-CD1 3.41Å
215V90.9Very high90.6Very high82 Ų8256.2 Ų56.250%0.49729%0.288SS..EExtended strand (participates in β ladder)trans-64.6139.9178.6-174.50000110.4K392 I395V215-K392 HydrophobicContact CG2-CB 4.43Å; V215-I395 VanDerWaalsContact CA-CD1 3.44Å; V215-I395 HydrophobicContact CB-CD1 4.21Å; V215-I395 HydrophobicContact CG2-CD1 3.87Å
216G87.1Confident90.7Very high24 Ų2458.8 Ų58.825%0.24730%0.296CS..BIsolated β-bridgetrans109.1160.9-179.400000112.2R388 G389G216-R388 VanDerWaalsContact C-NH2 3.25Å; G216-R388 VanDerWaalsContact O-CZ 3.3Å; G216-R388 PolarHBondContact O-NE 2.85Å; G216-R388 PolarHBondContact O-NH2 3.36Å; G216-G389 CarbonylContact C-O 3.4Å; G216-G389 PolarHBondContact N-O 3.34Å; G216-G389 PolarHBondContact O-N 3.49Å
217G86.3Confident90.7Very high37 Ų3756.5 Ų56.538%0.38129%0.286SS..SBendtrans76-170.5-174.200000112.7D221G217-D221 WeakPolarHBondContact CA-OD2 3.18Å
218R89.5Confident90.9Very high169 Ų16949.1 Ų49.164%0.63825%0.252SS*.  trans-105.6162.7174.4-62.6-179.8-179.9-177.3-0.1109.9E220 D221 R388R218-E220 HydrophobicContact CB-CB 4.42Å; R218-E220 PolarHBondContact O-N 3.41Å; R218-D221 PolarHBondContact N-OD2 3.06Å; R218-D221 WeakPolarHBondContact O-CB 3.38Å; R218-D221 PolarHBondContact O-N 3.34Å; R218-R388 WeakPolarHBondContact O-CB 3.35Å
219L89.4Confident91Very high24 Ų2448.1 Ų48.113%0.12625%0.246CC..G310 helixtrans-57-33.4172.6-80.4167.7000112.3M185 D221 T222 R388 I394 A398M185-L219 HydrophobicContact CE-CB 4.48Å; M185-L219 HydrophobicContact CE-CD2 3.83Å; L219-D221 PolarHBondContact O-N 2.64Å; L219-T222 WeakPolarHBondContact O-CB 3.14Å; L219-T222 PolarHBondContact O-N 2.92Å; L219-T222 VanDerWaalsContact O-N 3.12Å; L219-T222 PolarHBondContact O-OG1 3.04Å; L219-R388 WeakPolarHBondContact CA-O 3.22Å; L219-R388 WeakPolarHBondContact CD2-O 3.43Å; L219-I394 HydrophobicContact CD1-CG2 3.65Å; L219-I394 HydrophobicContact CD2-CG2 3.58Å; L219-I394 HydrophobicContact CG-CG2 3.71Å; L219-A398 HydrophobicContact CD2-CB 3.92Å
220E90.7Very high91Very high106 Ų10647.5 Ų47.550%0.49524%0.243SC..G310 helixtrans-58.7-24.9175-62.3169.9175.600113.4Q184 R218 T222Q184-E220 PolarHBondContact NE2-O 3.3Å; Q184-E220 PolarHBondContact OE1-O 3.44Å; R218-E220 HydrophobicContact CB-CB 4.42Å; R218-E220 PolarHBondContact O-N 3.41Å; E220-T222 PolarHBondContact O-N 3.11Å
221D90.7Very high90.8Very high68 Ų6849.2 Ų49.236%0.36425%0.254SS..G310 helixtrans-77.9-0.3179.4-62.3-42.7000112.9G217 R218 L219 R388G217-D221 WeakPolarHBondContact CA-OD2 3.18Å; R218-D221 PolarHBondContact N-OD2 3.06Å; R218-D221 WeakPolarHBondContact O-CB 3.38Å; R218-D221 PolarHBondContact O-N 3.34Å; L219-D221 PolarHBondContact O-N 2.64Å; D221-R388 HydrophobicContact CB-CB 3.94Å; D221-R388 HydrophobicContact CB-CG 3.99Å
222T92.5Very high90.7Very high0 Ų050.8 Ų50.80%026%0.257CS..  trans-65.8131.2177.7-61.30000110.5Q184 M185 I188 L219 E220 I385 F386 I387 R388Q184-T222 PolarHBondContact NE2-O 2.52Å; Q184-T222 VanDerWaalsContact NE2-O 3.11Å; M185-T222 HydrophobicContact CE-CG2 4.22Å; I188-T222 HydrophobicContact CD1-CG2 4.05Å; I188-T222 WeakPolarHBondContact CD1-O 3.43Å; L219-T222 WeakPolarHBondContact O-CB 3.14Å; L219-T222 PolarHBondContact O-N 2.92Å; L219-T222 VanDerWaalsContact O-N 3.12Å; L219-T222 PolarHBondContact O-OG1 3.04Å; E220-T222 PolarHBondContact O-N 3.11Å; T222-I385 HydrophobicContact CG2-CG2 4.42Å; T222-F386 CarbonylContact C-O 3.47Å; T222-F386 VanDerWaalsContact CA-O 3.24Å; T222-F386 WeakPolarHBondContact CA-O 3.24Å; T222-F386 WeakPolarHBondContact CG2-O 3.24Å; T222-I387 HydrophobicContact CG2-CB 4.44Å; T222-I387 HydrophobicContact CG2-CG1 4.06Å; T222-R388 PolarHBondContact OG1-N 2.94Å
223K92.6Very high90.6Very high134 Ų13452.8 Ų52.858%0.58327%0.268SS*.EExtended strand (participates in β ladder)trans-136.9147.4-173.5-68.4176.1-172.9-179.20111.8F386K223-F386 PolarHBondContact N-O 3.48Å; K223-F386 PolarHBondContact O-N 3.45Å
224L93.7Very high90.6Very high40 Ų4052.4 Ų52.421%0.20926%0.263CS..EExtended strand (participates in β ladder)trans-86.8117.1166.5-177.163000109.3I188 N191 A192 V383 I385I188-L224 HydrophobicContact CG1-CB 4.42Å; I188-L224 HydrophobicContact CG2-CB 4.16Å; N191-L224 HydrophobicContact CB-CD2 3.58Å; A192-L224 HydrophobicContact CB-CD1 3.83Å; A192-L224 HydrophobicContact CB-CD2 4.44Å; L224-V383 HydrophobicContact CD1-CB 4.04Å; L224-V383 HydrophobicContact CD1-CG2 4.28Å; L224-I385 HydrophobicContact CD1-CG1 3.84Å
225I91.2Very high90.6Very high16 Ų1651 Ų518%0.08226%0.258CS..EExtended strand (participates in β ladder)trans-99.9122174.6-72.2167.6000108.1G227 I229 V373 E375 T384 F386I225-G227 PolarHBondContact O-N 3.04Å; I225-I229 HydrophobicContact CB-CD1 4.44Å; I225-I229 HydrophobicContact CD1-CD1 3.34Å; I225-I229 HydrophobicContact CD1-CG1 3.89Å; I225-I229 HydrophobicContact CG1-CD1 4.39Å; I225-I229 HydrophobicContact CG2-CG1 4.41Å; I225-V373 HydrophobicContact CD1-CG1 4.08Å; I225-V373 HydrophobicContact CG2-CG1 3.91Å; I225-E375 HydrophobicContact CG2-CG 3.9Å; I225-T384 PolarHBondContact N-O 3.36Å; I225-T384 PolarHBondContact O-N 3.07Å; I225-F386 HydrophobicContact CD1-CB 4.08Å
226K89.2Confident90.5Very high130 Ų13048.8 Ų48.857%0.56524%0.242SC*.SBendtrans-80.176.6174.9-68.6-174.1177.7-175.50109.8
227G89.6Confident90.5Very high2 Ų252.9 Ų52.92%0.02127%0.265CS..EExtended strand (participates in β ladder)trans157.3-150.8-178.100000111I225 I374 A382 V383 T384I225-G227 PolarHBondContact O-N 3.04Å; G227-I374 VanDerWaalsContact CA-O 3.29Å; G227-I374 WeakPolarHBondContact CA-O 3.41Å; G227-A382 PolarHBondContact N-O 3.18Å; G227-V383 CarbonylContact O-C 3.59Å; G227-T384 PolarHBondContact O-N 3.47Å; G227-T384 VanDerWaalsContact O-N 3.13Å; G227-T384 PolarHBondContact O-OG1 3.29Å
228V92.3Very high90.7Very high2 Ų257.9 Ų57.91%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-121.5135.5-171.5-173.30000110.9V230 L332 I333 A336 I374 T384V228-V230 HydrophobicContact CG1-CG2 4.36Å; V228-L332 HydrophobicContact CG1-CB 4.33Å; V228-L332 HydrophobicContact CG2-CB 4.14Å; V228-I333 HydrophobicContact CB-CG1 4.15Å; V228-I333 HydrophobicContact CG1-CG1 3.92Å; V228-I333 HydrophobicContact CG2-CG1 4.42Å; V228-A336 HydrophobicContact CG2-CB 3.81Å; V228-I374 PolarHBondContact N-O 3.21Å; V228-I374 VanDerWaalsContact N-O 3.09Å; V228-I374 PolarHBondContact O-N 3.48Å; V228-T384 WeakPolarHBondContact CA-OG1 3.44Å
229I92.5Very high90.6Very high2 Ų250.2 Ų50.21%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-103.3133.7168.9-54.4172.3000108.5K210 I225 M371 L372 V373 T384 F386K210-I229 PolarHBondContact NZ-O 2.91Å; I225-I229 HydrophobicContact CB-CD1 4.44Å; I225-I229 HydrophobicContact CD1-CD1 3.34Å; I225-I229 HydrophobicContact CD1-CG1 3.89Å; I225-I229 HydrophobicContact CG1-CD1 4.39Å; I225-I229 HydrophobicContact CG2-CG1 4.41Å; I229-M371 HydrophobicContact CG2-CB 4.03Å; I229-M371 HydrophobicContact CG2-SD 3.95Å; I229-L372 WeakPolarHBondContact CA-O 3.47Å; I229-V373 HydrophobicContact CG1-CG2 4.23Å; I229-V373 HydrophobicContact CG2-CG2 4.4Å; I229-T384 HydrophobicContact CB-CG2 3.94Å; I229-T384 HydrophobicContact CD1-CG2 3.51Å; I229-T384 HydrophobicContact CG1-CG2 3.68Å; I229-T384 PolarHBondContact N-OG1 2.85Å; I229-F386 HydrophobicContact CD1-CB 3.54Å; I229-F386 HydrophobicContact CD1-CD2 3.88Å; I229-F386 HydrophobicContact CD1-CG 3.77Å
230V92.1Very high90.6Very high1 Ų152.2 Ų52.21%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-117.9129.1176.9-176.90000108.5V228 K232 V325 I333 M371 L372V228-V230 HydrophobicContact CG1-CG2 4.36Å; V230-K232 HydrophobicContact CG1-CB 3.97Å; V230-K232 HydrophobicContact CG1-CG 3.8Å; V230-K232 PolarHBondContact O-N 3.25Å; V230-V325 HydrophobicContact CG1-CG1 4.02Å; V230-V325 HydrophobicContact CG1-CG2 4.12Å; V230-I333 HydrophobicContact CG2-CD1 3.71Å; V230-I333 HydrophobicContact CG2-CG1 4.44Å; V230-M371 WeakPolarHBondContact O-CB 3.33Å; V230-L372 HydrophobicContact CB-CB 4.36Å; V230-L372 PolarHBondContact N-O 3.34Å; V230-L372 PolarHBondContact O-N 2.84Å
231D89.5Confident90.6Very high60 Ų6053 Ų5332%0.32127%0.266SS..SBendtrans-79.156.8178.6-168.326.8000112.2K214K214-D231 VanDerWaalsContact CE-CG 3.46Å; K214-D231 WeakPolarHBondContact CE-OD1 3.46Å; K214-D231 WeakPolarHBondContact CE-OD2 3.38Å; K214-D231 IonicContact NZ-OD1 3.1Å; K214-D231 PolarHBondContact NZ-OD1 2.79Å; K214-D231 IonicContact NZ-OD2 2.74Å; K214-D231 PolarHBondContact NZ-OD2 2.83Å
232K90.6Very high90.7Very high77 Ų7755 Ų5534%0.33527%0.271SS..  trans-145.6156.1179.6-58.2-63.9157.5-158.20110.8V230 V322 W324 M371 L372V230-K232 HydrophobicContact CG1-CB 3.97Å; V230-K232 HydrophobicContact CG1-CG 3.8Å; V230-K232 PolarHBondContact O-N 3.25Å; K232-V322 HydrophobicContact CB-CG1 3.79Å; K232-V322 HydrophobicContact CG-CG1 4.4Å; K232-W324 VanDerWaalsContact CE-O 3.23Å; K232-W324 WeakPolarHBondContact CE-O 3.22Å; K232-M371 CarbonylContact O-C 3.29Å; K232-L372 PolarHBondContact O-N 3.44Å; K232-L372 VanDerWaalsContact O-N 3.13Å
233D89.9Confident90.6Very high80 Ų8055.7 Ų55.743%0.42828%0.275SS..  trans-99.7172.8168.559.3-8.9000111.5K370D233-K370 HydrophobicContact CB-CB 4.39Å
234F92Very high90.6Very high7 Ų755.2 Ų55.23%0.03128%0.275CS..  trans-64.7143.6169.2-72.8-72.5000110.2H236 M239 P240 V243 L299 P320 V322 V359 E361 L372F234-H236 PolarHBondContact O-N 3.01Å; F234-H236 VanDerWaalsContact O-N 3.14Å; F234-M239 HydrophobicContact CB-CB 4.08Å; F234-M239 HydrophobicContact CB-SD 4.27Å; F234-M239 HydrophobicContact CG-CB 4.48Å; F234-P240 WeakPolarHBondContact CE2-O 3.49Å; F234-V243 HydrophobicContact CZ-CG2 4.36Å; F234-L299 HydrophobicContact CD1-CD1 4.49Å; F234-L299 HydrophobicContact CE1-CD1 3.78Å; F234-P320 HydrophobicContact CD1-CB 4.05Å; F234-P320 HydrophobicContact CE1-CB 3.88Å; F234-V322 HydrophobicContact CD1-CG2 4.2Å; F234-V322 HydrophobicContact CE1-CG2 4.42Å; F234-V359 HydrophobicContact CZ-CG1 4.23Å; F234-E361 HydrophobicContact CD2-CB 3.83Å; F234-E361 HydrophobicContact CD2-CG 4.39Å; F234-E361 HydrophobicContact CE2-CB 3.73Å; F234-L372 HydrophobicContact CD1-CD1 4.17Å; F234-L372 HydrophobicContact CD2-CD1 4.28Å; F234-L372 HydrophobicContact CE1-CD1 3.62Å; F234-L372 HydrophobicContact CE2-CD1 3.75Å; F234-L372 HydrophobicContact CG-CD1 4.48Å; F234-L372 HydrophobicContact CZ-CD1 3.39Å
235S91Very high90.5Very high10 Ų1058.1 Ų58.17%0.0729%0.291CS..SBendtrans-62.8-27.6-169.762.40000114.3M239 N311 A321S235-M239 VanDerWaalsContact OG-CE 3.29Å; S235-M239 WeakPolarHBondContact OG-CE 3.07Å; S235-M239 PolarHBondContact OG-SD 3.13Å; S235-M239 VanDerWaalsContact OG-SD 3.41Å; S235-N311 VanDerWaalsContact CB-OD1 3.26Å; S235-N311 WeakPolarHBondContact CB-OD1 3.4Å; S235-N311 PolarHBondContact O-ND2 3.29Å; S235-N311 PolarHBondContact OG-OD1 3.03Å; S235-A321 WeakPolarHBondContact CB-O 3.45Å; S235-A321 PolarHBondContact N-O 3.05Å; S235-A321 PolarHBondContact OG-O 3.42Å
236H89.1Confident90.5Very high35 Ų3557.4 Ų57.416%0.16229%0.287CS..SBendtrans-122.7134177.3-164.5-80.9000110.9F234 Q238 M239F234-H236 PolarHBondContact O-N 3.01Å; F234-H236 VanDerWaalsContact O-N 3.14Å; H236-Q238 PolarHBondContact CE1-OE1 2.95Å; H236-Q238 VanDerWaalsContact CE1-OE1 3.27Å; H236-Q238 WeakPolarHBondContact ND1-CB 3.42Å; H236-Q238 PolarHBondContact ND1-N 3.28Å; H236-Q238 PolarHBondContact O-N 3.39Å; H236-M239 HydrophobicContact CB-CE 3.95Å; H236-M239 HydrophobicContact CB-CG 3.97Å; H236-M239 HydrophobicContact CB-SD 3.96Å; H236-M239 WeakPolarHBondContact O-CB 3.33Å; H236-M239 PolarHBondContact O-N 3.12Å
237P86.8Confident90.7Very high111 Ų11156.1 Ų56.172%0.72128%0.282SS*.THydrogen-bonded Turntrans-63.6-18.8-175.724.7-36000114.8
238Q88.9Confident90.9Very high142 Ų14256 Ų5666%0.66428%0.281SS*.THydrogen-bonded Turntrans-90.8-2.9176.4-61.6-178.6-56.300113.7H236 L315H236-Q238 PolarHBondContact CE1-OE1 2.95Å; H236-Q238 VanDerWaalsContact CE1-OE1 3.27Å; H236-Q238 WeakPolarHBondContact ND1-CB 3.42Å; H236-Q238 PolarHBondContact ND1-N 3.28Å; H236-Q238 PolarHBondContact O-N 3.39Å; Q238-L315 HydrophobicContact CB-CD1 3.91Å; Q238-L315 HydrophobicContact CB-CD2 4.08Å
239M88.9Confident91Very high8 Ų856 Ų564%0.03928%0.28CS..SBendtrans-65.7152.4174-79171.6178.100110.9F234 S235 H236 K241 L314 L315 A321F234-M239 HydrophobicContact CB-CB 4.08Å; F234-M239 HydrophobicContact CB-SD 4.27Å; F234-M239 HydrophobicContact CG-CB 4.48Å; S235-M239 VanDerWaalsContact OG-CE 3.29Å; S235-M239 WeakPolarHBondContact OG-CE 3.07Å; S235-M239 PolarHBondContact OG-SD 3.13Å; S235-M239 VanDerWaalsContact OG-SD 3.41Å; H236-M239 HydrophobicContact CB-CE 3.95Å; H236-M239 HydrophobicContact CB-CG 3.97Å; H236-M239 HydrophobicContact CB-SD 3.96Å; H236-M239 WeakPolarHBondContact O-CB 3.33Å; H236-M239 PolarHBondContact O-N 3.12Å; M239-K241 PolarHBondContact O-N 3.41Å; M239-L314 HydrophobicContact CE-CB 3.96Å; M239-L315 HydrophobicContact CG-CD1 3.99Å; M239-A321 HydrophobicContact CE-CB 4.32Å; M239-A321 PolarHBondContact SD-N 3.04Å; M239-A321 VanDerWaalsContact SD-N 3.44Å
240P89.4Confident91.1Very high66 Ų6655.9 Ų55.943%0.42928%0.28SS..  trans-62.8130.7175.627.7-35.8000110.2F234 K242 V243 P320F234-P240 WeakPolarHBondContact CE2-O 3.49Å; P240-K242 PolarHBondContact O-N 2.8Å; P240-V243 HydrophobicContact CG-CG2 4.47Å; P240-P320 HydrophobicContact CG-CG 3.49Å; P240-P320 VanDerWaalsContact CG-CG 3.49Å
241K89.6Confident91.2Very high123 Ų12355.9 Ų55.954%0.53528%0.28SS..SBendtrans-76.1-9-179.6-55.2-169.1176.8175.10113.8M239 Q360 E361M239-K241 PolarHBondContact O-N 3.41Å; K241-Q360 CarbonylContact O-C 3.59Å; K241-Q360 WeakPolarHBondContact O-CA 3.35Å; K241-E361 HydrophobicContact CB-CB 4.31Å; K241-E361 WeakPolarHBondContact CG-OE2 3.35Å; K241-E361 PolarHBondContact O-N 3.04Å
242K92.7Very high91.4Very high109 Ų10954.7 Ų54.747%0.47428%0.275SS..EExtended strand (participates in β ladder)trans-139.6128.8-178.2-167.7-170.7-176.6-161.20108.5P240 E244 L358 V359 Q360P240-K242 PolarHBondContact O-N 2.8Å; K242-E244 WeakPolarHBondContact CE-OE1 3.38Å; K242-E244 IonicContact NZ-OE1 2.64Å; K242-E244 PolarHBondContact NZ-OE1 3.3Å; K242-L358 HydrophobicContact CD-CD1 4.11Å; K242-L358 HydrophobicContact CG-CD1 3.7Å; K242-V359 CarbonylContact C-O 3.6Å; K242-V359 WeakPolarHBondContact CA-O 3.47Å; K242-Q360 HydrophobicContact CG-CB 4.43Å
243V91.9Very high91.4Very high14 Ų1451.7 Ų51.79%0.08526%0.263CS..EExtended strand (participates in β ladder)trans-125.2119.2175.1-1750000107.4F234 P240 A246 P320 V359F234-V243 HydrophobicContact CZ-CG2 4.36Å; P240-V243 HydrophobicContact CG-CG2 4.47Å; V243-A246 HydrophobicContact CG1-CB 4.14Å; V243-P320 HydrophobicContact CG2-CB 4.25Å; V243-P320 HydrophobicContact CG2-CG 3.91Å; V243-V359 HydrophobicContact CB-CB 4.39Å; V243-V359 PolarHBondContact N-O 3.35Å; V243-V359 PolarHBondContact O-N 2.88Å
244E91.6Very high91.3Very high125 Ų12550.3 Ų50.358%0.58426%0.259SS*.EExtended strand (participates in β ladder)trans-94.4147.7175-64.4179.7174.900109.6K242 A246 G357 L358K242-E244 WeakPolarHBondContact CE-OE1 3.38Å; K242-E244 IonicContact NZ-OE1 2.64Å; K242-E244 PolarHBondContact NZ-OE1 3.3Å; E244-A246 VanDerWaalsContact C-N 3.34Å; E244-A246 PolarHBondContact O-N 3Å; E244-G357 WeakPolarHBondContact CA-O 3.3Å; E244-L358 HydrophobicContact CG-CD1 4.4Å
245D91.1Very high91.1Very high101 Ų10150 Ų5054%0.5426%0.257SS..EExtended strand (participates in β ladder)trans48.253.1-177.4-66.7-44.2000112.9K247 N298 F355 A356 G357D245-K247 PolarHBondContact O-N 3.36Å; D245-N298 PolarHBondContact O-ND2 2.55Å; D245-F355 HydrophobicContact CB-CE2 4.35Å; D245-A356 CarbonylContact C-O 3.47Å; D245-G357 PolarHBondContact N-O 2.93Å
246A91.3Very high90.9Very high0 Ų052.9 Ų52.90%027%0.27CS..EExtended strand (participates in β ladder)trans-66.1116.6-177.600000112.2V243 E244 I248 N298 F355 A356 V359V243-A246 HydrophobicContact CG1-CB 4.14Å; E244-A246 VanDerWaalsContact C-N 3.34Å; E244-A246 PolarHBondContact O-N 3Å; A246-I248 HydrophobicContact CB-CD1 4.33Å; A246-I248 HydrophobicContact CB-CG1 3.98Å; A246-N298 WeakPolarHBondContact CA-ND2 3.29Å; A246-N298 WeakPolarHBondContact CA-OD1 3.45Å; A246-F355 CarbonylContact O-C 3.59Å; A246-F355 WeakPolarHBondContact O-CA 3.33Å; A246-A356 WeakPolarHBondContact CA-O 3.41Å; A246-A356 HydrophobicContact CB-CB 4.39Å; A246-A356 WeakPolarHBondContact CB-O 3.37Å; A246-A356 PolarHBondContact N-O 3.08Å; A246-A356 PolarHBondContact O-N 2.86Å; A246-V359 HydrophobicContact CB-CG2 3.64Å
247K93.9Very high90.7Very high104 Ų10452 Ų5245%0.45227%0.267SS..EExtended strand (participates in β ladder)trans-93102.8161.9-69.9179.6179.9178.30109D245 G296 A297 N298 L299 L353 G354D245-K247 PolarHBondContact O-N 3.36Å; K247-G296 VanDerWaalsContact CD-O 3.28Å; K247-G296 WeakPolarHBondContact CD-O 3.39Å; K247-A297 WeakPolarHBondContact O-CA 3.4Å; K247-N298 VanDerWaalsContact N-CG 3.34Å; K247-N298 PolarHBondContact N-ND2 2.81Å; K247-N298 PolarHBondContact N-OD1 2.69Å; K247-N298 PolarHBondContact O-N 3.23Å; K247-N298 PolarHBondContact O-OD1 3.12Å; K247-N298 VanDerWaalsContact O-OD1 3.1Å; K247-L299 PolarHBondContact O-N 3.38Å; K247-L353 HydrophobicContact CB-CD1 4.28Å; K247-G354 CarbonylContact C-O 3.51Å; K247-G354 VanDerWaalsContact CA-O 3.29Å; K247-G354 WeakPolarHBondContact CA-O 3.37Å
248I93.7Very high90.6Very high0 Ų050.4 Ų50.40%026%0.257CS..EExtended strand (participates in β ladder)trans-95.3122.1-166.9-48.5-171000110.4A246 I250 L299 I301 T337 L353 G354 A356 V359 I374A246-I248 HydrophobicContact CB-CD1 4.33Å; A246-I248 HydrophobicContact CB-CG1 3.98Å; I248-I250 HydrophobicContact CG2-CG1 4.11Å; I248-L299 CarbonylContact C-O 3.51Å; I248-L299 WeakPolarHBondContact CA-O 3.36Å; I248-L299 HydrophobicContact CD1-CD2 3.97Å; I248-L299 HydrophobicContact CG1-CB 4.43Å; I248-L299 HydrophobicContact CG1-CD2 4.05Å; I248-L299 HydrophobicContact CG2-CD2 4.36Å; I248-L299 HydrophobicContact CG2-CG 4.42Å; I248-I301 HydrophobicContact CD1-CD1 4.49Å; I248-I301 HydrophobicContact CG2-CB 4.28Å; I248-I301 HydrophobicContact CG2-CD1 3.6Å; I248-I301 HydrophobicContact CG2-CG1 3.75Å; I248-T337 HydrophobicContact CD1-CG2 3.94Å; I248-L353 WeakPolarHBondContact O-CA 3.45Å; I248-G354 PolarHBondContact N-O 3.11Å; I248-G354 PolarHBondContact O-N 3.3Å; I248-A356 HydrophobicContact CD1-CB 3.97Å; I248-V359 HydrophobicContact CD1-CG2 4.2Å; I248-I374 HydrophobicContact CD1-CG2 4.27Å
249A94.9Very high90.4Very high0 Ų049.7 Ų49.70%025%0.251CS..EExtended strand (participates in β ladder)trans-85.9116.3166.400000109.2L251 I292 A297 L299 I301 L348 L353A249-L251 HydrophobicContact CB-CD1 4.45Å; A249-L251 HydrophobicContact CB-CG 4.4Å; A249-I292 HydrophobicContact CB-CG2 4.35Å; A249-A297 HydrophobicContact CB-CB 4Å; A249-L299 PolarHBondContact N-O 3.38Å; A249-I301 PolarHBondContact O-N 2.93Å; A249-L348 HydrophobicContact CB-CD1 4.16Å; A249-L348 HydrophobicContact CB-CD2 4.1Å; A249-L353 HydrophobicContact CB-CD2 3.95Å
250I95.1Very high90.3Very high1 Ų152.4 Ų52.41%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-101.1109.9-179.3-54.7175.4000108.5I248 I330 I333 A334 I341 V342I248-I250 HydrophobicContact CG2-CG1 4.11Å; I250-I330 HydrophobicContact CG2-CG2 3.62Å; I250-I333 HydrophobicContact CD1-CG2 3.95Å; I250-I333 HydrophobicContact CG1-CG2 4.36Å; I250-A334 HydrophobicContact CD1-CB 3.87Å; I250-I341 HydrophobicContact CG2-CG1 4.12Å; I250-V342 PolarHBondContact O-N 3.21Å
251L94.1Very high90.1Very high0 Ų059.8 Ų59.80%030%0.295CS..EExtended strand (participates in β ladder)trans-122.8134.6-166.5-62.2169.5000111.7A249 F255 I292 I301 C302 Q303 V342 F345 L348A249-L251 HydrophobicContact CB-CD1 4.45Å; A249-L251 HydrophobicContact CB-CG 4.4Å; L251-F255 HydrophobicContact CD1-CE2 4.03Å; L251-F255 HydrophobicContact CD1-CZ 4.16Å; L251-I292 HydrophobicContact CD1-CD1 4.11Å; L251-I301 PolarHBondContact N-O 3.16Å; L251-C302 VanDerWaalsContact CB-SG 3.57Å; L251-C302 WeakPolarHBondContact O-CA 3.45Å; L251-Q303 PolarHBondContact O-N 3.2Å; L251-V342 WeakPolarHBondContact CA-O 3.42Å; L251-V342 HydrophobicContact CD2-CB 4.23Å; L251-F345 HydrophobicContact CD1-CD1 4.2Å; L251-F345 HydrophobicContact CD1-CE1 3.75Å; L251-F345 HydrophobicContact CD2-CD1 4.46Å; L251-L348 HydrophobicContact CD2-CD1 4.27Å
252T93.6Very high90.2Very high36 Ų3658.8 Ų58.822%0.22130%0.299CS..  trans-106.17171.7560000113Q303 W304 I341 V342 P343T252-Q303 HydrophobicContact CG2-CB 4.47Å; T252-W304 PolarHBondContact O-NE1 2.88Å; T252-W304 VanDerWaalsContact O-NE1 3.16Å; T252-I341 HydrophobicContact CG2-CG2 3.31Å; T252-V342 PolarHBondContact N-O 3.01Å; T252-V342 PolarHBondContact OG1-O 3.37Å; T252-P343 VanDerWaalsContact OG1-CA 3.31Å; T252-P343 WeakPolarHBondContact OG1-CA 3.13Å
253C89Confident90Very high14 Ų1464.2 Ų64.210%0.09532%0.323CS..SBendtrans-93.6144.3169.549.90000111.9P343 F345C253-P343 WeakPolarHBondContact CB-O 3.25Å; C253-F345 HydrophobicContact CB-CE2 4.08Å; C253-F345 HydrophobicContact CB-CZ 4.49Å; C253-F345 WeakPolarHBondContact SG-CE2 3.33Å; C253-F345 VanDerWaalsContact SG-CZ 3.54Å
254P89.7Confident89.6Confident50 Ų5068.1 Ų68.133%0.32534%0.34SS..  trans-71.5151.5169.930.6-34.2000111.3E256 W304P254-E256 VanDerWaalsContact C-N 3.28Å; P254-E256 HydrophobicContact CB-CB 4.43Å; P254-E256 HydrophobicContact CB-CG 4.23Å; P254-E256 PolarHBondContact O-N 3.5Å; P254-W304 HydrophobicContact CB-CB 3.76Å; P254-W304 HydrophobicContact CB-CG 4.4Å
255F86.6Confident89.3Confident1 Ų171.3 Ų71.30%0.00435%0.352CS..BIsolated β-bridgetrans-85.877164.5-77.3-99.6000109.2L251 I292 A300 C302 G305 F306 D307 A310 L314 F345L251-F255 HydrophobicContact CD1-CE2 4.03Å; L251-F255 HydrophobicContact CD1-CZ 4.16Å; F255-I292 HydrophobicContact CE1-CD1 3.58Å; F255-I292 HydrophobicContact CE2-CD1 4.46Å; F255-I292 HydrophobicContact CZ-CD1 3.29Å; F255-A300 HydrophobicContact CZ-CB 4.36Å; F255-C302 WeakPolarHBondContact CE2-SG 3.48Å; F255-G305 PolarHBondContact N-O 3.41Å; F255-F306 HydrophobicContact CB-CB 4.28Å; F255-F306 HydrophobicContact CB-CD1 3.73Å; F255-F306 HydrophobicContact CB-CE1 4.49Å; F255-F306 HydrophobicContact CB-CG 4.3Å; F255-F306 AromaticContact CD2-CD1 3.4Å; F255-F306 HydrophobicContact CD2-CD1 3.4Å; F255-F306 VanDerWaalsContact CD2-CD1 3.4Å; F255-F306 AromaticContact CD2-CE1 3.29Å; F255-F306 HydrophobicContact CD2-CE1 3.29Å; F255-F306 HydrophobicContact CD2-CG 4.4Å; F255-F306 HydrophobicContact CD2-CZ 4.19Å; F255-F306 HydrophobicContact CE2-CD1 4.25Å; F255-F306 AromaticContact CE2-CE1 3.74Å; F255-F306 HydrophobicContact CE2-CE1 3.74Å; F255-F306 HydrophobicContact CE2-CZ 4.26Å; F255-F306 AromaticContact CG-CD1 3.92Å; F255-F306 HydrophobicContact CG-CD1 3.92Å; F255-F306 HydrophobicContact CG-CE1 4.24Å; F255-D307 PolarHBondContact O-N 3.15Å; F255-D307 VanDerWaalsContact O-N 3.16Å; F255-A310 HydrophobicContact CB-CB 4.07Å; F255-L314 HydrophobicContact CE1-CD1 4.39Å; F255-L314 HydrophobicContact CE1-CD2 4.04Å; F255-L314 HydrophobicContact CZ-CD1 4.43Å; F255-L314 HydrophobicContact CZ-CD2 4.16Å; F255-F345 HydrophobicContact CD1-CE1 4.03Å; F255-F345 AromaticContact CD1-CZ 3.87Å; F255-F345 HydrophobicContact CD1-CZ 3.87Å; F255-F345 HydrophobicContact CD2-CE1 4.27Å; F255-F345 HydrophobicContact CD2-CZ 4.02Å; F255-F345 AromaticContact CE1-CE1 3.67Å; F255-F345 HydrophobicContact CE1-CE1 3.67Å; F255-F345 HydrophobicContact CE1-CZ 4.02Å; F255-F345 AromaticContact CE2-CE1 3.99Å; F255-F345 HydrophobicContact CE2-CE1 3.99Å; F255-F345 HydrophobicContact CE2-CZ 4.21Å; F255-F345 HydrophobicContact CG-CE1 4.34Å; F255-F345 AromaticContact CG-CZ 3.91Å; F255-F345 HydrophobicContact CG-CZ 3.91Å; F255-F345 AromaticContact CZ-CE1 3.7Å; F255-F345 HydrophobicContact CZ-CE1 3.7Å; F255-F345 HydrophobicContact CZ-CZ 4.23Å
256E86.9Confident89Confident70 Ų7071.6 Ų71.633%0.32735%0.353SS..SBendtrans-136.2156175.8-73.3-175.9-154.500109.5P254 K259 M288P254-E256 VanDerWaalsContact C-N 3.28Å; P254-E256 HydrophobicContact CB-CB 4.43Å; P254-E256 HydrophobicContact CB-CG 4.23Å; P254-E256 PolarHBondContact O-N 3.5Å; E256-K259 IonicContact OE2-NZ 3.76Å; E256-K259 PolarHBondContact OE2-NZ 3.44Å; E256-M288 WeakPolarHBondContact O-CE 3.48Å
257P84.7Confident88.8Confident16 Ų1678.1 Ų78.110%0.10439%0.388CS..  trans-56.2137.1171.9-21.334.7000109.5K259 E281 F285P257-K259 PolarHBondContact O-N 2.87Å; P257-E281 HydrophobicContact CB-CG 4.17Å; P257-E281 HydrophobicContact CG-CB 4.23Å; P257-E281 HydrophobicContact CG-CG 3.82Å; P257-F285 VanDerWaalsContact CD-CZ 3.49Å; P257-F285 HydrophobicContact CG-CE1 4.34Å; P257-F285 HydrophobicContact CG-CE2 4.09Å; P257-F285 HydrophobicContact CG-CZ 3.74Å
258P84.4Confident88.6Confident78 Ų7876.3 Ų76.351%0.50639%0.386SS..  trans-63.3111-171.424.6-33.8000110.8K284P258-K284 HydrophobicContact CG-CD 4.47Å
259K84.4Confident88.5Confident127 Ų12782.5 Ų82.555%0.55242%0.423SS*.  trans-94.3134.8175-70.2164-170160.40109.7E256 P257E256-K259 IonicContact OE2-NZ 3.76Å; E256-K259 PolarHBondContact OE2-NZ 3.44Å; P257-K259 PolarHBondContact O-N 2.87Å
260P86.8Confident88.3Confident65 Ų6584.6 Ų84.642%0.42244%0.438SS..  trans-64.3144.2171.128.5-33.8000109.5T262 H264P260-T262 PolarHBondContact O-N 3.29Å; P260-H264 HydrophobicContact CG-CB 3.62Å; P260-H264 VanDerWaalsContact CG-CG 3.47Å; P260-H264 WeakPolarHBondContact CG-ND1 3.48Å
261K87.2Confident88.3Confident222 Ų22289.6 Ų89.697%0.96547%0.469SS*.SBendtrans-67.3-14.5177.5-64.9-171.6178-174.30113.1
262T91.4Very high88.2Confident102 Ų10297.2 Ų97.263%0.62650%0.504SS*.SBendtrans-85.8157.7175.950.30000111.1P260 H264P260-T262 PolarHBondContact O-N 3.29Å; T262-H264 PolarHBondContact O-N 3.14Å; T262-H264 PolarHBondContact O-ND1 3.03Å
263K87.1Confident88Confident222 Ų22298.5 Ų98.597%0.96551%0.509SS*.  trans-57.1115.8170.2-71.3-175.2-179.5-1800108.5
264H84.5Confident88.1Confident97 Ų97104.9 Ų104.945%0.44953%0.533SS..  trans-121.7141.5175.365.8-75.1000108.7P260 T262P260-H264 HydrophobicContact CG-CB 3.62Å; P260-H264 VanDerWaalsContact CG-CG 3.47Å; P260-H264 WeakPolarHBondContact CG-ND1 3.48Å; T262-H264 PolarHBondContact O-N 3.14Å; T262-H264 PolarHBondContact O-ND1 3.03Å
265K85.3Confident88.2Confident191 Ų191109 Ų10983%0.8355%0.546SS*.  trans-120.5132.1166.3-69.1-174.3177.5-174.90106.1
266L84.3Confident88.4Confident107 Ų107111.8 Ų111.856%0.5657%0.568SS**  trans-106.8104.9177.5-162.5148.7000106.8V268 L277L266-V268 HydrophobicContact CD2-CG2 3.59Å; L266-V268 PolarHBondContact O-N 3.45Å; L266-L277 HydrophobicContact CD1-CD2 3.74Å; L266-L277 HydrophobicContact CD2-CD1 3.37Å; L266-L277 HydrophobicContact CD2-CD2 3.84Å; L266-L277 HydrophobicContact CD2-CG 4.22Å; L266-L277 HydrophobicContact CG-CD2 4.44Å
267D87.9Confident88.5Confident137 Ų137110.7 Ų110.773%0.73356%0.564SS**  trans-85.1109.3-178.1-66.9-36.6000109.2
268V89.4Confident88.6Confident67 Ų67115 Ų11541%0.40658%0.584SS.*  trans-93.4106.7178.1-173.80000108.7L266 D273 Y274 L277L266-V268 HydrophobicContact CD2-CG2 3.59Å; L266-V268 PolarHBondContact O-N 3.45Å; V268-D273 HydrophobicContact CG1-CB 3.97Å; V268-Y274 HydrophobicContact CG1-CD2 4.47Å; V268-L277 HydrophobicContact CG2-CD1 3.57Å
269T91Very high89Confident129 Ų129117.6 Ų117.679%0.79159%0.587SS**  trans-96.2-26.6-17661.20000114D273T269-D273 PolarHBondContact N-OD2 3.02Å; T269-D273 PolarHBondContact OG1-OD2 3.33Å
270S91.8Very high89.2Confident45 Ų45116.4 Ų116.432%0.31558%0.579SS.*SBendtrans-125.8159.5-177.875.30000112.4E272 D273 Y274S270-E272 PolarHBondContact O-N 3.22Å; S270-E272 PolarHBondContact OG-N 3.27Å; S270-D273 PolarHBondContact N-OD2 3.34Å; S270-D273 PolarHBondContact O-N 3Å; S270-D273 PolarHBondContact OG-N 2.99Å; S270-D273 VanDerWaalsContact OG-N 3.08Å; S270-D273 PolarHBondContact OG-OD1 2.8Å; S270-D273 PolarHBondContact OG-OD2 2.88Å; S270-Y274 PolarHBondContact O-N 3.46Å
271V93.4Very high89.3Confident106 Ų106116.9 Ų116.964%0.64258%0.576SS**Hα-helixtrans-65.8-27.2172.8179.70000111.2Y274 K275V271-Y274 PolarHBondContact O-N 3.17Å; V271-K275 PolarHBondContact O-N 3.35Å; V271-K275 VanDerWaalsContact O-N 3.15Å
272E92.4Very high89.3Confident159 Ų159111.4 Ų111.474%0.74355%0.552SS**Hα-helixtrans-69.5-42.4177.3-63.9-178.7177.200111.3S270 Y274 K275 A276S270-E272 PolarHBondContact O-N 3.22Å; S270-E272 PolarHBondContact OG-N 3.27Å; E272-Y274 VanDerWaalsContact C-N 3.28Å; E272-Y274 PolarHBondContact O-N 3.46Å; E272-K275 PolarHBondContact O-N 3.32Å; E272-A276 WeakPolarHBondContact O-CB 3.34Å; E272-A276 PolarHBondContact O-N 2.87Å
273D90.5Very high89.2Confident63 Ų63111.1 Ų111.134%0.33754%0.544SS..Hα-helixtrans-57.6-43.6173.4-59.5-33.4000110.7V268 T269 S270 K275 A276 L277V268-D273 HydrophobicContact CG1-CB 3.97Å; T269-D273 PolarHBondContact N-OD2 3.02Å; T269-D273 PolarHBondContact OG1-OD2 3.33Å; S270-D273 PolarHBondContact N-OD2 3.34Å; S270-D273 PolarHBondContact O-N 3Å; S270-D273 PolarHBondContact OG-N 2.99Å; S270-D273 VanDerWaalsContact OG-N 3.08Å; S270-D273 PolarHBondContact OG-OD1 2.8Å; S270-D273 PolarHBondContact OG-OD2 2.88Å; D273-K275 PolarHBondContact O-N 2.94Å; D273-A276 PolarHBondContact O-N 3.5Å; D273-L277 VanDerWaalsContact O-CG 3.26Å; D273-L277 WeakPolarHBondContact O-CG 3.42Å; D273-L277 PolarHBondContact O-N 3.22Å
274Y89.6Confident89.4Confident148 Ų148103 Ų10358%0.5851%0.508SS*.Hα-helixtrans-61-44.7178-171.5-102.6000112.3V268 S270 V271 E272 A276 L277 Q278V268-Y274 HydrophobicContact CG1-CD2 4.47Å; S270-Y274 PolarHBondContact O-N 3.46Å; V271-Y274 PolarHBondContact O-N 3.17Å; E272-Y274 VanDerWaalsContact C-N 3.28Å; E272-Y274 PolarHBondContact O-N 3.46Å; Y274-A276 VanDerWaalsContact C-N 3.34Å; Y274-L277 PolarHBondContact O-N 2.91Å; Y274-Q278 PolarHBondContact O-N 3.31Å; Y274-Q278 VanDerWaalsContact O-N 3.08Å
275K92.2Very high89.6Confident138 Ų13898.4 Ų98.460%0.649%0.487SS*.Hα-helixtrans-65.6-37.2175.5-71.9179.4179.91780112.2V271 E272 D273 K279V271-K275 PolarHBondContact O-N 3.35Å; V271-K275 VanDerWaalsContact O-N 3.15Å; E272-K275 PolarHBondContact O-N 3.32Å; D273-K275 PolarHBondContact O-N 2.94Å; K275-K279 WeakPolarHBondContact O-CB 3.45Å; K275-K279 PolarHBondContact O-N 3.01Å
276A91.3Very high89.8Confident58 Ų5893.6 Ų93.648%0.47947%0.468SS..Hα-helixtrans-65.8-40.4177.100000111.6E272 D273 Y274 K279 Y280E272-A276 WeakPolarHBondContact O-CB 3.34Å; E272-A276 PolarHBondContact O-N 2.87Å; D273-A276 PolarHBondContact O-N 3.5Å; Y274-A276 VanDerWaalsContact C-N 3.34Å; A276-K279 PolarHBondContact O-N 3.43Å; A276-Y280 VanDerWaalsContact O-CB 3.31Å; A276-Y280 WeakPolarHBondContact O-CB 3.3Å; A276-Y280 PolarHBondContact O-N 3.39Å
277L89.2Confident90.1Very high47 Ų4792.6 Ų92.625%0.24646%0.46CS..Hα-helixtrans-63.9-47.8175.4-70.4162.8000111.9L266 V268 D273 Y274 K279 Y280 E281L266-L277 HydrophobicContact CD1-CD2 3.74Å; L266-L277 HydrophobicContact CD2-CD1 3.37Å; L266-L277 HydrophobicContact CD2-CD2 3.84Å; L266-L277 HydrophobicContact CD2-CG 4.22Å; L266-L277 HydrophobicContact CG-CD2 4.44Å; V268-L277 HydrophobicContact CG2-CD1 3.57Å; D273-L277 VanDerWaalsContact O-CG 3.26Å; D273-L277 WeakPolarHBondContact O-CG 3.42Å; D273-L277 PolarHBondContact O-N 3.22Å; Y274-L277 PolarHBondContact O-N 2.91Å; L277-K279 VanDerWaalsContact C-N 3.27Å; L277-K279 PolarHBondContact O-N 3.33Å; L277-Y280 WeakPolarHBondContact O-CB 3.4Å; L277-Y280 PolarHBondContact O-N 2.92Å; L277-Y280 VanDerWaalsContact O-N 3.1Å; L277-E281 WeakPolarHBondContact O-CG 3.38Å; L277-E281 PolarHBondContact O-N 2.8Å
278Q87.4Confident90.2Very high108 Ų10887 Ų8751%0.50543%0.43SS..Hα-helixtrans-58.9-41.3176.9-172.2-179.82200111.6Y274 K282Y274-Q278 PolarHBondContact O-N 3.31Å; Y274-Q278 VanDerWaalsContact O-N 3.08Å; Q278-K282 PolarHBondContact O-N 3.3Å
279K91.4Very high90.3Very high132 Ų13283.9 Ų83.957%0.57441%0.411SS*.Hα-helixtrans-65.6-42.4175.6-174.4177.5169.9-172.30111.6K275 A276 L277 K282 E283K275-K279 WeakPolarHBondContact O-CB 3.45Å; K275-K279 PolarHBondContact O-N 3.01Å; A276-K279 PolarHBondContact O-N 3.43Å; L277-K279 VanDerWaalsContact C-N 3.27Å; L277-K279 PolarHBondContact O-N 3.33Å; K279-K282 PolarHBondContact O-N 2.97Å; K279-E283 WeakPolarHBondContact CE-OE1 3.38Å; K279-E283 HydrophobicContact CG-CG 4.48Å; K279-E283 IonicContact NZ-OE1 3.13Å; K279-E283 WeakPolarHBondContact O-CB 3.49Å; K279-E283 WeakPolarHBondContact O-CG 3.41Å; K279-E283 PolarHBondContact O-N 2.95Å
280Y90.3Very high90.2Very high101 Ų10182.3 Ų82.340%0.39639%0.394SS..Hα-helixtrans-62.9-44.1177.8173-97.9000112.4A276 L277 K282 E283 K284A276-Y280 VanDerWaalsContact O-CB 3.31Å; A276-Y280 WeakPolarHBondContact O-CB 3.3Å; A276-Y280 PolarHBondContact O-N 3.39Å; L277-Y280 WeakPolarHBondContact O-CB 3.4Å; L277-Y280 PolarHBondContact O-N 2.92Å; L277-Y280 VanDerWaalsContact O-N 3.1Å; Y280-K282 VanDerWaalsContact C-N 3.34Å; Y280-K282 PolarHBondContact O-N 3.36Å; Y280-E283 PolarHBondContact O-N 3.26Å; Y280-K284 HydrophobicContact CD1-CG 4.24Å; Y280-K284 HydrophobicContact CD2-CG 4.18Å; Y280-K284 HydrophobicContact CE1-CG 3.82Å; Y280-K284 HydrophobicContact CE2-CD 4.09Å; Y280-K284 HydrophobicContact CE2-CG 3.78Å; Y280-K284 HydrophobicContact CG-CG 4.41Å; Y280-K284 WeakPolarHBondContact O-CB 3.23Å; Y280-K284 VanDerWaalsContact O-CG 3.26Å; Y280-K284 WeakPolarHBondContact O-CG 3.31Å; Y280-K284 PolarHBondContact O-N 2.91Å; Y280-K284 WeakPolarHBondContact OH-CE 3.48Å
281E87.1Confident90.2Very high75 Ų7582.3 Ų82.335%0.3539%0.39SS..Hα-helixtrans-58.3-48.3176.5-72.9179.6159.200110.7P257 L277 K284 F285P257-E281 HydrophobicContact CB-CG 4.17Å; P257-E281 HydrophobicContact CG-CB 4.23Å; P257-E281 HydrophobicContact CG-CG 3.82Å; L277-E281 WeakPolarHBondContact O-CG 3.38Å; L277-E281 PolarHBondContact O-N 2.8Å; E281-K284 PolarHBondContact O-N 3.28Å; E281-F285 WeakPolarHBondContact O-CD2 3.46Å; E281-F285 PolarHBondContact O-N 2.67Å
282K87.2Confident90.1Very high107 Ų10777.3 Ų77.347%0.46536%0.359SS..Hα-helixtrans-60.5-48.1176.4-172.1177.3176.8-1770112.8Q278 K279 Y280 K284 F285 E286Q278-K282 PolarHBondContact O-N 3.3Å; K279-K282 PolarHBondContact O-N 2.97Å; Y280-K282 VanDerWaalsContact C-N 3.34Å; Y280-K282 PolarHBondContact O-N 3.36Å; K282-K284 VanDerWaalsContact C-N 3.27Å; K282-K284 PolarHBondContact O-N 3.29Å; K282-F285 PolarHBondContact O-N 2.78Å; K282-E286 WeakPolarHBondContact CE-OE1 3.33Å; K282-E286 WeakPolarHBondContact O-CG 3.34Å; K282-E286 PolarHBondContact O-N 3.37Å
283E91Very high89.9Confident96 Ų9673.3 Ų73.345%0.44934%0.339SS..Hα-helixtrans-59.9-38.3177.5-76.3177.5173.700111.7K279 Y280 E286 E287K279-E283 WeakPolarHBondContact CE-OE1 3.38Å; K279-E283 HydrophobicContact CG-CG 4.48Å; K279-E283 IonicContact NZ-OE1 3.13Å; K279-E283 WeakPolarHBondContact O-CB 3.49Å; K279-E283 WeakPolarHBondContact O-CG 3.41Å; K279-E283 PolarHBondContact O-N 2.95Å; Y280-E283 PolarHBondContact O-N 3.26Å; E283-E286 PolarHBondContact O-N 3.03Å; E283-E287 WeakPolarHBondContact O-CB 3.47Å; E283-E287 PolarHBondContact O-N 3.18Å
284K89.6Confident89.9Confident52 Ų5277 Ų7723%0.22636%0.355CS..Hα-helixtrans-68.2-39.1177.7-74.4-71.4159.5-157.80112.7P258 Y280 E281 K282 E287 M288P258-K284 HydrophobicContact CG-CD 4.47Å; Y280-K284 HydrophobicContact CD1-CG 4.24Å; Y280-K284 HydrophobicContact CD2-CG 4.18Å; Y280-K284 HydrophobicContact CE1-CG 3.82Å; Y280-K284 HydrophobicContact CE2-CD 4.09Å; Y280-K284 HydrophobicContact CE2-CG 3.78Å; Y280-K284 HydrophobicContact CG-CG 4.41Å; Y280-K284 WeakPolarHBondContact O-CB 3.23Å; Y280-K284 VanDerWaalsContact O-CG 3.26Å; Y280-K284 WeakPolarHBondContact O-CG 3.31Å; Y280-K284 PolarHBondContact O-N 2.91Å; Y280-K284 WeakPolarHBondContact OH-CE 3.48Å; E281-K284 PolarHBondContact O-N 3.28Å; K282-K284 VanDerWaalsContact C-N 3.27Å; K282-K284 PolarHBondContact O-N 3.29Å; K284-E287 IonicContact NZ-OE2 2.61Å; K284-E287 PolarHBondContact NZ-OE2 3.18Å; K284-E287 PolarHBondContact O-N 2.97Å; K284-M288 VanDerWaalsContact O-CG 3.31Å; K284-M288 WeakPolarHBondContact O-CG 3.36Å; K284-M288 PolarHBondContact O-N 2.88Å
285F89.5Confident90Very high1 Ų170.9 Ų70.90%0.00433%0.332CS..Hα-helixtrans-65.6-42.1173.3-69.7-54.3000112P257 E281 K282 E287 M288 I289 D307 E309 A310 L313P257-F285 VanDerWaalsContact CD-CZ 3.49Å; P257-F285 HydrophobicContact CG-CE1 4.34Å; P257-F285 HydrophobicContact CG-CE2 4.09Å; P257-F285 HydrophobicContact CG-CZ 3.74Å; E281-F285 WeakPolarHBondContact O-CD2 3.46Å; E281-F285 PolarHBondContact O-N 2.67Å; K282-F285 PolarHBondContact O-N 2.78Å; F285-E287 VanDerWaalsContact C-N 3.32Å; F285-E287 PolarHBondContact O-N 2.82Å; F285-M288 PolarHBondContact O-N 2.8Å; F285-I289 VanDerWaalsContact O-CG1 3.31Å; F285-I289 WeakPolarHBondContact O-CG1 3.47Å; F285-I289 PolarHBondContact O-N 3.36Å; F285-D307 HydrophobicContact CE1-CB 4.33Å; F285-D307 HydrophobicContact CZ-CB 3.8Å; F285-E309 HydrophobicContact CE2-CB 4.21Å; F285-A310 HydrophobicContact CD1-CB 3.68Å; F285-A310 HydrophobicContact CE1-CB 3.63Å; F285-A310 HydrophobicContact CG-CB 4.3Å; F285-A310 HydrophobicContact CZ-CB 4.19Å; F285-L313 HydrophobicContact CB-CD1 3.56Å; F285-L313 HydrophobicContact CD2-CD1 4.49Å; F285-L313 HydrophobicContact CG-CD1 4.36Å
286E89.8Confident89.9Confident89 Ų8966 Ų6642%0.41632%0.322SS..Hα-helixtrans-60.4-42.2174.6-72.4176.7-177.100111.3K282 E283 I289 Q290K282-E286 WeakPolarHBondContact CE-OE1 3.33Å; K282-E286 WeakPolarHBondContact O-CG 3.34Å; K282-E286 PolarHBondContact O-N 3.37Å; E283-E286 PolarHBondContact O-N 3.03Å; E286-I289 PolarHBondContact O-N 3.42Å; E286-Q290 WeakPolarHBondContact O-CB 3.24Å; E286-Q290 PolarHBondContact O-N 3.32Å
287E91Very high89.9Confident87 Ų8763.7 Ų63.741%0.40730%0.302SS..Hα-helixtrans-59.8-47.2174.6-172.3-172.9163.100112.1E283 K284 F285 I289 Q290 Q291E283-E287 WeakPolarHBondContact O-CB 3.47Å; E283-E287 PolarHBondContact O-N 3.18Å; K284-E287 IonicContact NZ-OE2 2.61Å; K284-E287 PolarHBondContact NZ-OE2 3.18Å; K284-E287 PolarHBondContact O-N 2.97Å; F285-E287 VanDerWaalsContact C-N 3.32Å; F285-E287 PolarHBondContact O-N 2.82Å; E287-I289 PolarHBondContact O-N 3.14Å; E287-Q290 PolarHBondContact O-N 3.36Å; E287-Q291 WeakPolarHBondContact O-CG 3.47Å; E287-Q291 PolarHBondContact O-N 2.81Å; E287-Q291 PolarHBondContact OE1-NE2 3.46Å
288M90.5Very high90Very high18 Ų1863.6 Ų63.69%0.08930%0.302CS..Hα-helixtrans-62.1-43.5178.8-69.6173.5-163.900112.1E256 K284 F285 Q291 I292 F345E256-M288 WeakPolarHBondContact O-CE 3.48Å; K284-M288 VanDerWaalsContact O-CG 3.31Å; K284-M288 WeakPolarHBondContact O-CG 3.36Å; K284-M288 PolarHBondContact O-N 2.88Å; F285-M288 PolarHBondContact O-N 2.8Å; M288-Q291 PolarHBondContact O-N 3.44Å; M288-I292 WeakPolarHBondContact O-CG1 3.19Å; M288-I292 PolarHBondContact O-N 3.37Å; M288-F345 HydrophobicContact CB-CD1 4.4Å; M288-F345 HydrophobicContact CB-CD2 4.44Å; M288-F345 HydrophobicContact CB-CE1 4.48Å; M288-F345 HydrophobicContact CB-CG 4.38Å; M288-F345 HydrophobicContact CE-CE2 4.49Å; M288-F345 HydrophobicContact CG-CD2 3.85Å; M288-F345 HydrophobicContact CG-CE2 4.02Å; M288-F345 HydrophobicContact CG-CG 4.2Å; M288-F345 HydrophobicContact CG-CZ 4.49Å; M288-F345 HydrophobicContact SD-CD2 4.05Å; M288-F345 HydrophobicContact SD-CE2 3.64Å; M288-F345 HydrophobicContact SD-CZ 4.13Å
289I89.7Confident90.3Very high3 Ų358.5 Ų58.52%0.01528%0.278CS..Hα-helixtrans-67.7-40.4178.9-66.2167.7000110.5F285 E286 E287 I292 K293 L313 L314 N317F285-I289 VanDerWaalsContact O-CG1 3.31Å; F285-I289 WeakPolarHBondContact O-CG1 3.47Å; F285-I289 PolarHBondContact O-N 3.36Å; E286-I289 PolarHBondContact O-N 3.42Å; E287-I289 PolarHBondContact O-N 3.14Å; I289-I292 PolarHBondContact O-N 3.24Å; I289-K293 HydrophobicContact CG2-CD 4.38Å; I289-K293 WeakPolarHBondContact O-CG 3.32Å; I289-K293 PolarHBondContact O-N 3.35Å; I289-L313 HydrophobicContact CD1-CB 3.38Å; I289-L314 HydrophobicContact CD1-CD2 4.31Å; I289-L314 HydrophobicContact CD1-CG 4.27Å; I289-L314 HydrophobicContact CG1-CD2 3.97Å; I289-L314 HydrophobicContact CG1-CG 4.41Å; I289-N317 HydrophobicContact CG2-CB 3.77Å
290Q90.3Very high90.4Very high95 Ų9552.2 Ų52.244%0.44425%0.251SS..Hα-helixtrans-61.7-43.6176.9-177.159.525.800111.2E286 E287 I292 K293 E294E286-Q290 WeakPolarHBondContact O-CB 3.24Å; E286-Q290 PolarHBondContact O-N 3.32Å; E287-Q290 PolarHBondContact O-N 3.36Å; Q290-I292 VanDerWaalsContact C-N 3.28Å; Q290-I292 PolarHBondContact O-N 2.93Å; Q290-K293 PolarHBondContact O-N 3.21Å; Q290-K293 VanDerWaalsContact O-N 3.16Å; Q290-E294 HydrophobicContact CG-CG 4.45Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.48Å; Q290-E294 PolarHBondContact NE2-OE1 2.94Å; Q290-E294 WeakPolarHBondContact O-CG 3.15Å; Q290-E294 PolarHBondContact O-N 3.49Å
291Q90.2Very high90.6Very high46 Ų4647.4 Ų47.422%0.21523%0.232CC..Hα-helixtrans-57.1-40.3174.5-74.7173.42.600112.1E287 M288 T295E287-Q291 WeakPolarHBondContact O-CG 3.47Å; E287-Q291 PolarHBondContact O-N 2.81Å; E287-Q291 PolarHBondContact OE1-NE2 3.46Å; M288-Q291 PolarHBondContact O-N 3.44Å; Q291-T295 WeakPolarHBondContact O-CG2 3.34Å
292I91.3Very high91Very high0 Ų043.9 Ų43.90%022%0.216CC..Hα-helixtrans-68.3-44177.2-61.7166.8000111.2A249 L251 F255 M288 I289 Q290 E294 T295 A297 L319 F345 L348A249-I292 HydrophobicContact CB-CG2 4.35Å; L251-I292 HydrophobicContact CD1-CD1 4.11Å; F255-I292 HydrophobicContact CE1-CD1 3.58Å; F255-I292 HydrophobicContact CE2-CD1 4.46Å; F255-I292 HydrophobicContact CZ-CD1 3.29Å; M288-I292 WeakPolarHBondContact O-CG1 3.19Å; M288-I292 PolarHBondContact O-N 3.37Å; I289-I292 PolarHBondContact O-N 3.24Å; Q290-I292 VanDerWaalsContact C-N 3.28Å; Q290-I292 PolarHBondContact O-N 2.93Å; I292-E294 VanDerWaalsContact C-N 3.35Å; I292-E294 PolarHBondContact O-N 3.5Å; I292-T295 PolarHBondContact O-N 3.03Å; I292-T295 PolarHBondContact O-OG1 3.17Å; I292-A297 HydrophobicContact CG2-CB 3.76Å; I292-L319 HydrophobicContact CB-CD2 4.09Å; I292-L319 HydrophobicContact CD1-CD2 4.24Å; I292-L319 HydrophobicContact CG2-CD1 4.31Å; I292-L319 HydrophobicContact CG2-CD2 3.59Å; I292-F345 HydrophobicContact CD1-CD1 4.06Å; I292-F345 HydrophobicContact CD1-CE1 3.99Å; I292-F345 HydrophobicContact CG1-CD1 4.24Å; I292-L348 HydrophobicContact CB-CD2 4.24Å; I292-L348 HydrophobicContact CG1-CD2 3.89Å; I292-L348 HydrophobicContact CG2-CD2 4.3Å
293K89.7Confident91.3Very high76 Ų7641.5 Ų41.533%0.3321%0.206SC..Hα-helixtrans-63.1-39.1178.9-78.2-173.8160.8-1740113.4I289 Q290 T295 G296 N317I289-K293 HydrophobicContact CG2-CD 4.38Å; I289-K293 WeakPolarHBondContact O-CG 3.32Å; I289-K293 PolarHBondContact O-N 3.35Å; Q290-K293 PolarHBondContact O-N 3.21Å; Q290-K293 VanDerWaalsContact O-N 3.16Å; K293-T295 PolarHBondContact O-N 3.02Å; K293-G296 WeakPolarHBondContact O-CA 3.25Å; K293-G296 PolarHBondContact O-N 3Å; K293-N317 WeakPolarHBondContact CE-O 3.47Å; K293-N317 PolarHBondContact NZ-O 3.44Å; K293-N317 PolarHBondContact NZ-OD1 3.46Å
294E90.8Very high91.4Very high140 Ų14042.8 Ų42.865%0.65421%0.207SC*.Hα-helixtrans-60.8-30.8178.4-77.1173.5-173.800112.3Q290 I292 G296Q290-E294 HydrophobicContact CG-CG 4.45Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.48Å; Q290-E294 PolarHBondContact NE2-OE1 2.94Å; Q290-E294 WeakPolarHBondContact O-CG 3.15Å; Q290-E294 PolarHBondContact O-N 3.49Å; I292-E294 VanDerWaalsContact C-N 3.35Å; I292-E294 PolarHBondContact O-N 3.5Å; E294-G296 PolarHBondContact O-N 2.81Å
295T90.1Very high91.4Very high19 Ų1940.5 Ų40.512%0.11720%0.198CC..THydrogen-bonded Turntrans-73.9-14.8173.769.90000113.9Q291 I292 K293 L348 L353Q291-T295 WeakPolarHBondContact O-CG2 3.34Å; I292-T295 PolarHBondContact O-N 3.03Å; I292-T295 PolarHBondContact O-OG1 3.17Å; K293-T295 PolarHBondContact O-N 3.02Å; T295-L348 HydrophobicContact CG2-CB 4.16Å; T295-L348 HydrophobicContact CG2-CD2 3.92Å; T295-L348 HydrophobicContact CG2-CG 3.76Å; T295-L353 WeakPolarHBondContact O-CD1 3.33Å
296G90.2Very high91.4Very high36 Ų3641 Ų4137%0.37120%0.201SC..THydrogen-bonded Turntrans79.819.6-17600000114.1K247 K293 E294K247-G296 VanDerWaalsContact CD-O 3.28Å; K247-G296 WeakPolarHBondContact CD-O 3.39Å; K293-G296 WeakPolarHBondContact O-CA 3.25Å; K293-G296 PolarHBondContact O-N 3Å; E294-G296 PolarHBondContact O-N 2.81Å
297A91.4Very high91.2Very high9 Ų940 Ų407%0.07420%0.198CC..  trans-69.7141.7173.200000111K247 A249 I292 L319 L353K247-A297 WeakPolarHBondContact O-CA 3.4Å; A249-A297 HydrophobicContact CB-CB 4Å; I292-A297 HydrophobicContact CG2-CB 3.76Å; A297-L319 WeakPolarHBondContact O-CD1 3.32Å; A297-L353 HydrophobicContact CB-CD1 3.95Å; A297-L353 HydrophobicContact CB-CD2 3.8Å
298N92.6Very high91Very high46 Ų4641.4 Ų41.425%0.24621%0.208CC..SBendtrans-116.2-3.6177.865.26.7000113.1D245 A246 K247 P320D245-N298 PolarHBondContact O-ND2 2.55Å; A246-N298 WeakPolarHBondContact CA-ND2 3.29Å; A246-N298 WeakPolarHBondContact CA-OD1 3.45Å; K247-N298 VanDerWaalsContact N-CG 3.34Å; K247-N298 PolarHBondContact N-ND2 2.81Å; K247-N298 PolarHBondContact N-OD1 2.69Å; K247-N298 PolarHBondContact O-N 3.23Å; K247-N298 PolarHBondContact O-OD1 3.12Å; K247-N298 VanDerWaalsContact O-OD1 3.1Å; N298-P320 WeakPolarHBondContact O-CD 3.22Å
299L93.5Very high90.8Very high0 Ų044.7 Ų44.70%022%0.223CC..EExtended strand (participates in β ladder)trans-143.8131.2175.2176.564.3000108.9F234 K247 I248 A249 I301 P320 V359F234-L299 HydrophobicContact CD1-CD1 4.49Å; F234-L299 HydrophobicContact CE1-CD1 3.78Å; K247-L299 PolarHBondContact O-N 3.38Å; I248-L299 CarbonylContact C-O 3.51Å; I248-L299 WeakPolarHBondContact CA-O 3.36Å; I248-L299 HydrophobicContact CD1-CD2 3.97Å; I248-L299 HydrophobicContact CG1-CB 4.43Å; I248-L299 HydrophobicContact CG1-CD2 4.05Å; I248-L299 HydrophobicContact CG2-CD2 4.36Å; I248-L299 HydrophobicContact CG2-CG 4.42Å; A249-L299 PolarHBondContact N-O 3.38Å; L299-I301 HydrophobicContact CD2-CD1 4.24Å; L299-I301 HydrophobicContact CD2-CG1 4.35Å; L299-I301 HydrophobicContact CG-CG1 4.23Å; L299-P320 WeakPolarHBondContact CA-O 3.33Å; L299-P320 HydrophobicContact CD1-CB 3.82Å; L299-P320 WeakPolarHBondContact CD1-O 3.36Å; L299-V359 HydrophobicContact CD2-CB 4.14Å; L299-V359 HydrophobicContact CD2-CG1 3.83Å; L299-V359 HydrophobicContact CD2-CG2 3.82Å
300A93.7Very high90.7Very high0 Ų044.5 Ų44.50%022%0.223CC..EExtended strand (participates in β ladder)trans-108125.9173.500000110.7F255 L319 P320 A321 V322F255-A300 HydrophobicContact CZ-CB 4.36Å; A300-L319 HydrophobicContact CB-CD2 4.39Å; A300-P320 PolarHBondContact N-O 3.16Å; A300-A321 HydrophobicContact CB-CB 4.16Å; A300-A321 CarbonylContact O-C 3.59Å; A300-A321 WeakPolarHBondContact O-CA 3.41Å; A300-V322 PolarHBondContact O-N 3.31Å
301I94.9Very high90.7Very high1 Ų140.4 Ų40.41%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-115.8122.5174.6-63.1-175.7000108.2I248 A249 L251 L299 V322 V325 I333 I374I248-I301 HydrophobicContact CD1-CD1 4.49Å; I248-I301 HydrophobicContact CG2-CB 4.28Å; I248-I301 HydrophobicContact CG2-CD1 3.6Å; I248-I301 HydrophobicContact CG2-CG1 3.75Å; A249-I301 PolarHBondContact O-N 2.93Å; L251-I301 PolarHBondContact N-O 3.16Å; L299-I301 HydrophobicContact CD2-CD1 4.24Å; L299-I301 HydrophobicContact CD2-CG1 4.35Å; L299-I301 HydrophobicContact CG-CG1 4.23Å; I301-V322 HydrophobicContact CG1-CB 4.41Å; I301-V322 HydrophobicContact CG1-CG2 4.45Å; I301-V325 HydrophobicContact CG2-CB 4.11Å; I301-V325 HydrophobicContact CG2-CG1 4.28Å; I301-V325 HydrophobicContact CG2-CG2 3.66Å; I301-I333 HydrophobicContact CD1-CD1 4.15Å; I301-I333 HydrophobicContact CD1-CG2 4.2Å; I301-I333 HydrophobicContact CG2-CD1 4.25Å; I301-I374 HydrophobicContact CD1-CD1 3.91Å
302C94.2Very high90.6Very high0 Ų042.4 Ų42.40%021%0.213CC..EExtended strand (participates in β ladder)trans-121.2141-176.6-80.20000113L251 F255 W304 F306 V322 W324 V325L251-C302 VanDerWaalsContact CB-SG 3.57Å; L251-C302 WeakPolarHBondContact O-CA 3.45Å; F255-C302 WeakPolarHBondContact CE2-SG 3.48Å; C302-W304 VanDerWaalsContact C-N 3.33Å; C302-F306 HydrophobicContact CB-CE1 3.4Å; C302-F306 HydrophobicContact CB-CZ 3.84Å; C302-V322 PolarHBondContact N-O 3.4Å; C302-W324 PolarHBondContact O-N 2.9Å; C302-V325 PolarHBondContact O-N 2.92Å
303Q94.4Very high90.5Very high58 Ų5843.2 Ų43.227%0.27122%0.217SC..SBendtrans-66.1-38170.7-163.7173.89.600112.6L251 T252 W324 V325 I330L251-Q303 PolarHBondContact O-N 3.2Å; T252-Q303 HydrophobicContact CG2-CB 4.47Å; Q303-W324 VanDerWaalsContact O-CA 3.29Å; Q303-W324 WeakPolarHBondContact O-CA 3.25Å; Q303-V325 WeakPolarHBondContact CA-O 3.25Å; Q303-V325 WeakPolarHBondContact CG-O 3Å; Q303-I330 VanDerWaalsContact CA-CD1 3.47Å; Q303-I330 HydrophobicContact CB-CD1 3.34Å; Q303-I330 HydrophobicContact CG-CD1 3.73Å
304W93.2Very high90.6Very high123 Ų12339.6 Ų39.647%0.46620%0.201SC..SBendtrans-102.7174.8-174.4-60.8103.3000112.2T252 P254 C302 W324T252-W304 PolarHBondContact O-NE1 2.88Å; T252-W304 VanDerWaalsContact O-NE1 3.16Å; P254-W304 HydrophobicContact CB-CB 3.76Å; P254-W304 HydrophobicContact CB-CG 4.4Å; C302-W304 VanDerWaalsContact C-N 3.33Å; W304-W324 HydrophobicContact CE3-CH2 4.42Å; W304-W324 AromaticContact CE3-CZ3 3.74Å; W304-W324 HydrophobicContact CE3-CZ3 3.74Å; W304-W324 HydrophobicContact CZ3-CZ3 4.27Å; W304-W324 PolarHBondContact O-N 3.45Å
305G88.7Confident90.6Very high4 Ų434.3 Ų34.34%0.04118%0.177CC..  trans-68.2170.9175.100000114.4F255 W324F255-G305 PolarHBondContact N-O 3.41Å; G305-W324 VanDerWaalsContact CA-CE2 3.41Å
306F88.8Confident90.5Very high12 Ų1239 Ų395%0.05320%0.198CC..BIsolated β-bridgetrans-119.1144.9171-49.2-30.8000108.4F255 C302 L314 A321 V322 R323F255-F306 HydrophobicContact CB-CB 4.28Å; F255-F306 HydrophobicContact CB-CD1 3.73Å; F255-F306 HydrophobicContact CB-CE1 4.49Å; F255-F306 HydrophobicContact CB-CG 4.3Å; F255-F306 AromaticContact CD2-CD1 3.4Å; F255-F306 HydrophobicContact CD2-CD1 3.4Å; F255-F306 VanDerWaalsContact CD2-CD1 3.4Å; F255-F306 AromaticContact CD2-CE1 3.29Å; F255-F306 HydrophobicContact CD2-CE1 3.29Å; F255-F306 HydrophobicContact CD2-CG 4.4Å; F255-F306 HydrophobicContact CD2-CZ 4.19Å; F255-F306 HydrophobicContact CE2-CD1 4.25Å; F255-F306 AromaticContact CE2-CE1 3.74Å; F255-F306 HydrophobicContact CE2-CE1 3.74Å; F255-F306 HydrophobicContact CE2-CZ 4.26Å; F255-F306 AromaticContact CG-CD1 3.92Å; F255-F306 HydrophobicContact CG-CD1 3.92Å; F255-F306 HydrophobicContact CG-CE1 4.24Å; C302-F306 HydrophobicContact CB-CE1 3.4Å; C302-F306 HydrophobicContact CB-CZ 3.84Å; F306-L314 HydrophobicContact CD2-CD1 4.2Å; F306-L314 HydrophobicContact CE2-CD1 4.34Å; F306-A321 HydrophobicContact CD2-CB 4.45Å; F306-A321 HydrophobicContact CE2-CB 3.45Å; F306-A321 VanDerWaalsContact CE2-CB 3.45Å; F306-A321 HydrophobicContact CZ-CB 3.79Å; F306-V322 WeakPolarHBondContact CZ-O 3.47Å; F306-R323 HydrophobicContact CD1-CB 4.13Å; F306-R323 HydrophobicContact CD2-CB 3.8Å; F306-R323 HydrophobicContact CD2-CG 4.22Å; F306-R323 HydrophobicContact CE1-CB 3.94Å; F306-R323 HydrophobicContact CE2-CB 3.62Å; F306-R323 HydrophobicContact CE2-CG 4.24Å; F306-R323 HydrophobicContact CG-CB 4.06Å; F306-R323 HydrophobicContact CZ-CB 3.7Å
307D86.9Confident90.4Very high66 Ų6639.4 Ų39.435%0.35319%0.192SC..  trans-67.5153.2163-153.3-8.3000110.8F255 F285 E309 A310 N311F255-D307 PolarHBondContact O-N 3.15Å; F255-D307 VanDerWaalsContact O-N 3.16Å; F285-D307 HydrophobicContact CE1-CB 4.33Å; F285-D307 HydrophobicContact CZ-CB 3.8Å; D307-E309 VanDerWaalsContact C-N 3.3Å; D307-E309 PolarHBondContact O-N 3.45Å; D307-A310 HydrophobicContact CB-CB 4.32Å; D307-A310 WeakPolarHBondContact O-CB 3.41Å; D307-A310 PolarHBondContact O-N 2.93Å; D307-N311 PolarHBondContact O-N 3.42Å
308D86Confident90.3Very high117 Ų11745.9 Ų45.963%0.62623%0.225SC*.Hα-helixtrans-66.3-35.5-175.9-77.9-23.6000111.5N311 H312D308-N311 PolarHBondContact O-N 2.98Å; D308-H312 PolarHBondContact O-N 2.87Å
309E86.1Confident90.2Very high87 Ų8743.9 Ų43.941%0.40721%0.214SC..Hα-helixtrans-62.3-44.6173.1-63.4-166.9166.400111.5F285 D307 N311 H312 L313F285-E309 HydrophobicContact CE2-CB 4.21Å; D307-E309 VanDerWaalsContact C-N 3.3Å; D307-E309 PolarHBondContact O-N 3.45Å; E309-N311 VanDerWaalsContact C-N 3.33Å; E309-N311 PolarHBondContact O-N 3.12Å; E309-H312 PolarHBondContact O-N 3.29Å; E309-L313 WeakPolarHBondContact O-CG 3.42Å; E309-L313 PolarHBondContact O-N 3.41Å
310A87.9Confident90.2Very high0 Ų044.2 Ų44.20%022%0.216CC..Hα-helixtrans-61.7-42.5176.500000111.3F255 F285 D307 H312 L313 L314F255-A310 HydrophobicContact CB-CB 4.07Å; F285-A310 HydrophobicContact CD1-CB 3.68Å; F285-A310 HydrophobicContact CE1-CB 3.63Å; F285-A310 HydrophobicContact CG-CB 4.3Å; F285-A310 HydrophobicContact CZ-CB 4.19Å; D307-A310 HydrophobicContact CB-CB 4.32Å; D307-A310 WeakPolarHBondContact O-CB 3.41Å; D307-A310 PolarHBondContact O-N 2.93Å; A310-H312 VanDerWaalsContact C-N 3.33Å; A310-H312 PolarHBondContact O-N 2.94Å; A310-L313 PolarHBondContact O-N 3.28Å; A310-L314 WeakPolarHBondContact O-CB 3.12Å; A310-L314 VanDerWaalsContact O-CG 3.23Å; A310-L314 WeakPolarHBondContact O-CG 3.37Å; A310-L314 PolarHBondContact O-N 2.72Å
311N89.5Confident90.2Very high8 Ų844.2 Ų44.24%0.04322%0.216CC..Hα-helixtrans-63-39.6178.5-162.922.6000112.1S235 D307 D308 E309 L315S235-N311 VanDerWaalsContact CB-OD1 3.26Å; S235-N311 WeakPolarHBondContact CB-OD1 3.4Å; S235-N311 PolarHBondContact O-ND2 3.29Å; S235-N311 PolarHBondContact OG-OD1 3.03Å; D307-N311 PolarHBondContact O-N 3.42Å; D308-N311 PolarHBondContact O-N 2.98Å; E309-N311 VanDerWaalsContact C-N 3.33Å; E309-N311 PolarHBondContact O-N 3.12Å; N311-L315 PolarHBondContact O-N 2.67Å; N311-L315 VanDerWaalsContact O-N 3.16Å
312H89.8Confident90.1Very high89 Ų8944.2 Ų44.241%0.41222%0.216SC..Hα-helixtrans-67.7-41.7174.6-169.665.1000112.1D308 E309 A310 L315 Q316D308-H312 PolarHBondContact O-N 2.87Å; E309-H312 PolarHBondContact O-N 3.29Å; A310-H312 VanDerWaalsContact C-N 3.33Å; A310-H312 PolarHBondContact O-N 2.94Å; H312-L315 WeakPolarHBondContact O-CB 3.41Å; H312-L315 PolarHBondContact O-N 3.24Å; H312-Q316 PolarHBondContact CD2-NE2 2.68Å; H312-Q316 VanDerWaalsContact CD2-NE2 3.29Å; H312-Q316 PolarHBondContact NE2-NE2 3.45Å; H312-Q316 WeakPolarHBondContact O-CG 3.37Å; H312-Q316 PolarHBondContact O-N 2.63Å
313L89.5Confident90.1Very high16 Ų1648.1 Ų48.18%0.08423%0.231CC..Hα-helixtrans-65-38.5176.3-70.1171000111.8F285 I289 E309 A310 L315 Q316 N317F285-L313 HydrophobicContact CB-CD1 3.56Å; F285-L313 HydrophobicContact CD2-CD1 4.49Å; F285-L313 HydrophobicContact CG-CD1 4.36Å; I289-L313 HydrophobicContact CD1-CB 3.38Å; E309-L313 WeakPolarHBondContact O-CG 3.42Å; E309-L313 PolarHBondContact O-N 3.41Å; A310-L313 PolarHBondContact O-N 3.28Å; L313-L315 VanDerWaalsContact C-N 3.31Å; L313-L315 PolarHBondContact O-N 2.77Å; L313-Q316 PolarHBondContact O-N 3.25Å; L313-N317 VanDerWaalsContact O-CB 3.23Å; L313-N317 WeakPolarHBondContact O-CB 3.44Å; L313-N317 PolarHBondContact O-N 3.15Å; L313-N317 PolarHBondContact O-ND2 3Å
314L90.9Very high90Very high0 Ų051.9 Ų51.90%024%0.243CC..Hα-helixtrans-58.7-43.3173.6-75.7167000111.5M239 F255 I289 F306 A310 N317 N318 L319 A321M239-L314 HydrophobicContact CE-CB 3.96Å; F255-L314 HydrophobicContact CE1-CD1 4.39Å; F255-L314 HydrophobicContact CE1-CD2 4.04Å; F255-L314 HydrophobicContact CZ-CD1 4.43Å; F255-L314 HydrophobicContact CZ-CD2 4.16Å; I289-L314 HydrophobicContact CD1-CD2 4.31Å; I289-L314 HydrophobicContact CD1-CG 4.27Å; I289-L314 HydrophobicContact CG1-CD2 3.97Å; I289-L314 HydrophobicContact CG1-CG 4.41Å; F306-L314 HydrophobicContact CD2-CD1 4.2Å; F306-L314 HydrophobicContact CE2-CD1 4.34Å; A310-L314 WeakPolarHBondContact O-CB 3.12Å; A310-L314 VanDerWaalsContact O-CG 3.23Å; A310-L314 WeakPolarHBondContact O-CG 3.37Å; A310-L314 PolarHBondContact O-N 2.72Å; L314-N317 CarbonylContact O-C 3.52Å; L314-N317 PolarHBondContact O-N 3.44Å; L314-N318 PolarHBondContact O-N 3.35Å; L314-L319 HydrophobicContact CD2-CB 4.22Å; L314-L319 HydrophobicContact CD2-CD2 3.65Å; L314-L319 HydrophobicContact CD2-CG 4.23Å; L314-L319 PolarHBondContact O-N 2.86Å; L314-A321 HydrophobicContact CD1-CB 3.85Å
315L89.7Confident90.1Very high30 Ų3046.1 Ų46.116%0.15722%0.221CC..Hα-helixtrans-61.8-51.6175179.174.6000112Q238 M239 N311 H312 L313 N317 N318Q238-L315 HydrophobicContact CB-CD1 3.91Å; Q238-L315 HydrophobicContact CB-CD2 4.08Å; M239-L315 HydrophobicContact CG-CD1 3.99Å; N311-L315 PolarHBondContact O-N 2.67Å; N311-L315 VanDerWaalsContact O-N 3.16Å; H312-L315 WeakPolarHBondContact O-CB 3.41Å; H312-L315 PolarHBondContact O-N 3.24Å; L313-L315 VanDerWaalsContact C-N 3.31Å; L313-L315 PolarHBondContact O-N 2.77Å; L315-N317 PolarHBondContact O-N 2.85Å; L315-N317 VanDerWaalsContact O-N 3.14Å; L315-N318 PolarHBondContact O-N 3.05Å
316Q89.9Confident90.3Very high117 Ų11747.3 Ų47.355%0.54723%0.234SC..Hα-helixtrans-57.3-30.7179-71.6-175.7-3.600112.1H312 L313 N318H312-Q316 PolarHBondContact CD2-NE2 2.68Å; H312-Q316 VanDerWaalsContact CD2-NE2 3.29Å; H312-Q316 PolarHBondContact NE2-NE2 3.45Å; H312-Q316 WeakPolarHBondContact O-CG 3.37Å; H312-Q316 PolarHBondContact O-N 2.63Å; L313-Q316 PolarHBondContact O-N 3.25Å; Q316-N318 VanDerWaalsContact C-N 3.31Å
317N88Confident90.4Very high45 Ų4547.9 Ų47.924%0.24124%0.243CC..THydrogen-bonded Turntrans-86.23.6-179.8-83.3-69.4000114I289 K293 L313 L314 L315 L319I289-N317 HydrophobicContact CG2-CB 3.77Å; K293-N317 WeakPolarHBondContact CE-O 3.47Å; K293-N317 PolarHBondContact NZ-O 3.44Å; K293-N317 PolarHBondContact NZ-OD1 3.46Å; L313-N317 VanDerWaalsContact O-CB 3.23Å; L313-N317 WeakPolarHBondContact O-CB 3.44Å; L313-N317 PolarHBondContact O-N 3.15Å; L313-N317 PolarHBondContact O-ND2 3Å; L314-N317 CarbonylContact O-C 3.52Å; L314-N317 PolarHBondContact O-N 3.44Å; L315-N317 PolarHBondContact O-N 2.85Å; L315-N317 VanDerWaalsContact O-N 3.14Å; N317-L319 PolarHBondContact O-N 3.41Å
318N88.6Confident90.6Very high145 Ų14549.2 Ų49.278%0.77526%0.255SS*.THydrogen-bonded Turntrans53.638-175.5-61.6-45.1000112.9L314 L315 Q316 P320L314-N318 PolarHBondContact O-N 3.35Å; L315-N318 PolarHBondContact O-N 3.05Å; Q316-N318 VanDerWaalsContact C-N 3.31Å; N318-P320 VanDerWaalsContact O-CD 3.3Å; N318-P320 WeakPolarHBondContact O-CD 3.29Å
319L90.6Very high90.9Very high3 Ų344.8 Ų44.82%0.01623%0.231CC..  trans-112.794.2176.4-170.970.5000109.7I292 A297 A300 L314 N317I292-L319 HydrophobicContact CB-CD2 4.09Å; I292-L319 HydrophobicContact CD1-CD2 4.24Å; I292-L319 HydrophobicContact CG2-CD1 4.31Å; I292-L319 HydrophobicContact CG2-CD2 3.59Å; A297-L319 WeakPolarHBondContact O-CD1 3.32Å; A300-L319 HydrophobicContact CB-CD2 4.39Å; L314-L319 HydrophobicContact CD2-CB 4.22Å; L314-L319 HydrophobicContact CD2-CD2 3.65Å; L314-L319 HydrophobicContact CD2-CG 4.23Å; L314-L319 PolarHBondContact O-N 2.86Å; N317-L319 PolarHBondContact O-N 3.41Å
320P92.9Very high91.2Very high7 Ų740.8 Ų40.85%0.04521%0.212CC..  trans-51.5138.5169.4-2733.4000111.4F234 P240 V243 N298 L299 A300 N318F234-P320 HydrophobicContact CD1-CB 4.05Å; F234-P320 HydrophobicContact CE1-CB 3.88Å; P240-P320 HydrophobicContact CG-CG 3.49Å; P240-P320 VanDerWaalsContact CG-CG 3.49Å; V243-P320 HydrophobicContact CG2-CB 4.25Å; V243-P320 HydrophobicContact CG2-CG 3.91Å; N298-P320 WeakPolarHBondContact O-CD 3.22Å; L299-P320 WeakPolarHBondContact CA-O 3.33Å; L299-P320 HydrophobicContact CD1-CB 3.82Å; L299-P320 WeakPolarHBondContact CD1-O 3.36Å; A300-P320 PolarHBondContact N-O 3.16Å; N318-P320 VanDerWaalsContact O-CD 3.3Å; N318-P320 WeakPolarHBondContact O-CD 3.29Å
321A93.3Very high91.4Very high0 Ų046.2 Ų46.20%024%0.238CC..EExtended strand (participates in β ladder)trans-139.9152.2179.700000112.4S235 M239 A300 F306 L314S235-A321 WeakPolarHBondContact CB-O 3.45Å; S235-A321 PolarHBondContact N-O 3.05Å; S235-A321 PolarHBondContact OG-O 3.42Å; M239-A321 HydrophobicContact CE-CB 4.32Å; M239-A321 PolarHBondContact SD-N 3.04Å; M239-A321 VanDerWaalsContact SD-N 3.44Å; A300-A321 HydrophobicContact CB-CB 4.16Å; A300-A321 CarbonylContact O-C 3.59Å; A300-A321 WeakPolarHBondContact O-CA 3.41Å; F306-A321 HydrophobicContact CD2-CB 4.45Å; F306-A321 HydrophobicContact CE2-CB 3.45Å; F306-A321 VanDerWaalsContact CE2-CB 3.45Å; F306-A321 HydrophobicContact CZ-CB 3.79Å; L314-A321 HydrophobicContact CD1-CB 3.85Å
322V93.9Very high91.5Very high1 Ų146.7 Ų46.71%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-125.2126.5175.3-173.60000108.1K232 F234 A300 I301 C302 F306 V325 L372K232-V322 HydrophobicContact CB-CG1 3.79Å; K232-V322 HydrophobicContact CG-CG1 4.4Å; F234-V322 HydrophobicContact CD1-CG2 4.2Å; F234-V322 HydrophobicContact CE1-CG2 4.42Å; A300-V322 PolarHBondContact O-N 3.31Å; I301-V322 HydrophobicContact CG1-CB 4.41Å; I301-V322 HydrophobicContact CG1-CG2 4.45Å; C302-V322 PolarHBondContact N-O 3.4Å; F306-V322 WeakPolarHBondContact CZ-O 3.47Å; V322-V325 HydrophobicContact CB-CG2 4.28Å; V322-V325 HydrophobicContact CG1-CG2 3.57Å; V322-L372 HydrophobicContact CG2-CD1 3.97Å; V322-L372 HydrophobicContact CG2-CD2 4.33Å
323R92.9Very high91.6Very high83 Ų8342.4 Ų42.431%0.31322%0.22SC..  trans-106158.7178.954.7177.7-175-1791111.3F306 V325F306-R323 HydrophobicContact CD1-CB 4.13Å; F306-R323 HydrophobicContact CD2-CB 3.8Å; F306-R323 HydrophobicContact CD2-CG 4.22Å; F306-R323 HydrophobicContact CE1-CB 3.94Å; F306-R323 HydrophobicContact CE2-CB 3.62Å; F306-R323 HydrophobicContact CE2-CG 4.24Å; F306-R323 HydrophobicContact CG-CB 4.06Å; F306-R323 HydrophobicContact CZ-CB 3.7Å; R323-V325 PolarHBondContact O-N 3.33Å
324W93.1Very high91.8Very high136 Ų13642.2 Ų42.252%0.51522%0.221SC..SBendtrans61.638174.1-57.9114.2000114.8K232 C302 Q303 W304 G305K232-W324 VanDerWaalsContact CE-O 3.23Å; K232-W324 WeakPolarHBondContact CE-O 3.22Å; C302-W324 PolarHBondContact O-N 2.9Å; Q303-W324 VanDerWaalsContact O-CA 3.29Å; Q303-W324 WeakPolarHBondContact O-CA 3.25Å; W304-W324 HydrophobicContact CE3-CH2 4.42Å; W304-W324 AromaticContact CE3-CZ3 3.74Å; W304-W324 HydrophobicContact CE3-CZ3 3.74Å; W304-W324 HydrophobicContact CZ3-CZ3 4.27Å; W304-W324 PolarHBondContact O-N 3.45Å; G305-W324 VanDerWaalsContact CA-CE2 3.41Å
325V94.2Very high91.8Very high2 Ų245.6 Ų45.61%0.01224%0.238CC..  trans-78.3135.2175.4-1750000110.4V230 I301 C302 Q303 V322 R323 E329 I330 I333V230-V325 HydrophobicContact CG1-CG1 4.02Å; V230-V325 HydrophobicContact CG1-CG2 4.12Å; I301-V325 HydrophobicContact CG2-CB 4.11Å; I301-V325 HydrophobicContact CG2-CG1 4.28Å; I301-V325 HydrophobicContact CG2-CG2 3.66Å; C302-V325 PolarHBondContact O-N 2.92Å; Q303-V325 WeakPolarHBondContact CA-O 3.25Å; Q303-V325 WeakPolarHBondContact CG-O 3Å; V322-V325 HydrophobicContact CB-CG2 4.28Å; V322-V325 HydrophobicContact CG1-CG2 3.57Å; R323-V325 PolarHBondContact O-N 3.33Å; V325-E329 HydrophobicContact CG1-CB 3.7Å; V325-I330 HydrophobicContact CB-CD1 4.25Å; V325-I330 HydrophobicContact CB-CG1 4.03Å; V325-I330 HydrophobicContact CG1-CD1 4.46Å; V325-I330 HydrophobicContact CG1-CG1 3.73Å; V325-I333 HydrophobicContact CG1-CD1 4.12Å
326G93Very high91.9Very high30 Ų3044.2 Ų44.231%0.30923%0.231SC..  trans-64154.2-177.800000112.8E329 I330G326-E329 PolarHBondContact N-OE2 3.19Å; G326-E329 PolarHBondContact O-N 3.26Å; G326-I330 WeakPolarHBondContact O-CG1 3.04Å; G326-I330 PolarHBondContact O-N 2.83Å
327G92.1Very high92Very high24 Ų2438.7 Ų38.725%0.24721%0.205CC..Hα-helixtrans-54.4-53.7175.900000113.4E329 I330 E331G327-E329 VanDerWaalsContact C-N 3.26Å; G327-E329 PolarHBondContact O-N 3.44Å; G327-I330 PolarHBondContact O-N 3.29Å; G327-I330 VanDerWaalsContact O-N 3.14Å; G327-E331 PolarHBondContact O-N 2.96Å; G327-E331 VanDerWaalsContact O-N 3.14Å
328P90.9Very high92Very high94 Ų9439 Ų3961%0.6122%0.219SC*.Hα-helixtrans-60.3-34.7177.5-2534.7000113.2E331 L332P328-E331 PolarHBondContact O-N 3.19Å; P328-L332 WeakPolarHBondContact O-CB 3.44Å; P328-L332 WeakPolarHBondContact O-CG 3.33Å; P328-L332 PolarHBondContact O-N 3.4Å
329E91.2Very high92.2Very high24 Ų2432.5 Ų32.511%0.11219%0.187CC..Hα-helixtrans-68.5-39.4177.7-58.8-177.4132.400111.5K210 V325 G326 G327 E331 L332 I333K210-E329 IonicContact NZ-OE1 2.71Å; K210-E329 PolarHBondContact NZ-OE1 3.33Å; V325-E329 HydrophobicContact CG1-CB 3.7Å; G326-E329 PolarHBondContact N-OE2 3.19Å; G326-E329 PolarHBondContact O-N 3.26Å; G327-E329 VanDerWaalsContact C-N 3.26Å; G327-E329 PolarHBondContact O-N 3.44Å; E329-E331 VanDerWaalsContact C-N 3.35Å; E329-L332 PolarHBondContact O-N 2.89Å; E329-I333 WeakPolarHBondContact O-CB 3.19Å; E329-I333 WeakPolarHBondContact O-CD1 3.27Å; E329-I333 WeakPolarHBondContact O-CG1 3.4Å; E329-I333 PolarHBondContact O-N 2.71Å
330I93.2Very high92.3Very high3 Ų340.7 Ų40.72%0.01522%0.217CC..Hα-helixtrans-63.5-42176.5-76.5176.6000111.4I250 Q303 V325 G326 G327 I333 A334 I341I250-I330 HydrophobicContact CG2-CG2 3.62Å; Q303-I330 VanDerWaalsContact CA-CD1 3.47Å; Q303-I330 HydrophobicContact CB-CD1 3.34Å; Q303-I330 HydrophobicContact CG-CD1 3.73Å; V325-I330 HydrophobicContact CB-CD1 4.25Å; V325-I330 HydrophobicContact CB-CG1 4.03Å; V325-I330 HydrophobicContact CG1-CD1 4.46Å; V325-I330 HydrophobicContact CG1-CG1 3.73Å; G326-I330 WeakPolarHBondContact O-CG1 3.04Å; G326-I330 PolarHBondContact O-N 2.83Å; G327-I330 PolarHBondContact O-N 3.29Å; G327-I330 VanDerWaalsContact O-N 3.14Å; I330-I333 PolarHBondContact O-N 3.36Å; I330-A334 WeakPolarHBondContact O-CB 3.42Å; I330-A334 PolarHBondContact O-N 2.77Å; I330-I341 HydrophobicContact CG2-CD1 3.84Å; I330-I341 HydrophobicContact CG2-CG1 3.87Å; I330-I341 HydrophobicContact CG2-CG2 4.13Å
331E92.3Very high92.4Very high114 Ų11443.7 Ų43.753%0.53323%0.232SC..Hα-helixtrans-63.2-46.5176.4-70.6175.8176.600111G327 P328 E329 I333 A334 I335 I341G327-E331 PolarHBondContact O-N 2.96Å; G327-E331 VanDerWaalsContact O-N 3.14Å; P328-E331 PolarHBondContact O-N 3.19Å; E329-E331 VanDerWaalsContact C-N 3.35Å; E331-I333 PolarHBondContact O-N 3.16Å; E331-A334 WeakPolarHBondContact O-CB 3.21Å; E331-A334 PolarHBondContact O-N 3.34Å; E331-I335 WeakPolarHBondContact O-CG1 3.29Å; E331-I335 PolarHBondContact O-N 3.01Å; E331-I341 HydrophobicContact CG-CD1 3.97Å
332L91.1Very high92.5Very high17 Ų1743.8 Ų43.89%0.08923%0.233CC..Hα-helixtrans-58.1-44.9173.9-80.9171.9000112.7E207 K210 V228 P328 E329 A334 I335 A336 A382E207-L332 VanDerWaalsContact O-CD2 3.27Å; E207-L332 WeakPolarHBondContact O-CD2 3.23Å; K210-L332 HydrophobicContact CB-CD1 3.98Å; K210-L332 HydrophobicContact CD-CD1 4.02Å; K210-L332 HydrophobicContact CG-CD1 4.06Å; V228-L332 HydrophobicContact CG1-CB 4.33Å; V228-L332 HydrophobicContact CG2-CB 4.14Å; P328-L332 WeakPolarHBondContact O-CB 3.44Å; P328-L332 WeakPolarHBondContact O-CG 3.33Å; P328-L332 PolarHBondContact O-N 3.4Å; E329-L332 PolarHBondContact O-N 2.89Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 2.93Å; L332-I335 PolarHBondContact O-N 3.26Å; L332-A336 VanDerWaalsContact O-CB 3.28Å; L332-A336 WeakPolarHBondContact O-CB 3.08Å; L332-A336 PolarHBondContact O-N 3.07Å; L332-A382 HydrophobicContact CD2-CB 4.41Å
333I92.7Very high92.4Very high0 Ų046.8 Ų46.80%025%0.252CS..Hα-helixtrans-63.5-42.2177.2-67.2162.4000110.3V228 V230 I250 I301 V325 E329 I330 E331 A336 T337 I374V228-I333 HydrophobicContact CB-CG1 4.15Å; V228-I333 HydrophobicContact CG1-CG1 3.92Å; V228-I333 HydrophobicContact CG2-CG1 4.42Å; V230-I333 HydrophobicContact CG2-CD1 3.71Å; V230-I333 HydrophobicContact CG2-CG1 4.44Å; I250-I333 HydrophobicContact CD1-CG2 3.95Å; I250-I333 HydrophobicContact CG1-CG2 4.36Å; I301-I333 HydrophobicContact CD1-CD1 4.15Å; I301-I333 HydrophobicContact CD1-CG2 4.2Å; I301-I333 HydrophobicContact CG2-CD1 4.25Å; V325-I333 HydrophobicContact CG1-CD1 4.12Å; E329-I333 WeakPolarHBondContact O-CB 3.19Å; E329-I333 WeakPolarHBondContact O-CD1 3.27Å; E329-I333 WeakPolarHBondContact O-CG1 3.4Å; E329-I333 PolarHBondContact O-N 2.71Å; I330-I333 PolarHBondContact O-N 3.36Å; E331-I333 PolarHBondContact O-N 3.16Å; I333-A336 PolarHBondContact O-N 2.92Å; I333-T337 HydrophobicContact CG2-CG2 4Å; I333-T337 VanDerWaalsContact O-CB 3.28Å; I333-T337 WeakPolarHBondContact O-CB 3.41Å; I333-T337 WeakPolarHBondContact O-CG2 3.45Å; I333-T337 PolarHBondContact O-N 3.04Å; I333-T337 PolarHBondContact O-OG1 3.11Å; I333-I374 HydrophobicContact CD1-CD1 4.16Å; I333-I374 HydrophobicContact CG1-CD1 4.01Å; I333-I374 HydrophobicContact CG2-CD1 4.25Å
334A93Very high92.2Very high11 Ų1150 Ų509%0.09126%0.264CS..Hα-helixtrans-60.6-46.6177.200000111.3I250 I330 E331 L332 G338 G339 I341I250-A334 HydrophobicContact CD1-CB 3.87Å; I330-A334 WeakPolarHBondContact O-CB 3.42Å; I330-A334 PolarHBondContact O-N 2.77Å; E331-A334 WeakPolarHBondContact O-CB 3.21Å; E331-A334 PolarHBondContact O-N 3.34Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 2.93Å; A334-G338 CarbonylContact O-C 3.45Å; A334-G338 WeakPolarHBondContact O-CA 3.46Å; A334-G338 PolarHBondContact O-N 2.93Å; A334-G339 PolarHBondContact O-N 2.83Å; A334-G339 VanDerWaalsContact O-N 3.16Å; A334-I341 HydrophobicContact CB-CD1 4.28Å; A334-I341 HydrophobicContact CB-CG1 3.82Å
335I91.7Very high92Very high72 Ų7244.4 Ų44.437%0.36924%0.244SC..Hα-helixtrans-64.8-45.5178.3-65.1165.5000111.4L208 E331 L332 N379L208-I335 HydrophobicContact CD2-CD1 3.92Å; L208-I335 HydrophobicContact CD2-CG2 3.83Å; E331-I335 WeakPolarHBondContact O-CG1 3.29Å; E331-I335 PolarHBondContact O-N 3.01Å; L332-I335 PolarHBondContact O-N 3.26Å; I335-N379 WeakPolarHBondContact O-CB 3.22Å; I335-N379 PolarHBondContact O-ND2 3.43Å; I335-N379 VanDerWaalsContact O-ND2 3.1Å
336A91.4Very high91.7Very high1 Ų148.7 Ų48.71%0.00827%0.273CS..Hα-helixtrans-62.8-50.9-179.200000111.4V228 L332 I333 G338 C377 N379 A382V228-A336 HydrophobicContact CG2-CB 3.81Å; L332-A336 VanDerWaalsContact O-CB 3.28Å; L332-A336 WeakPolarHBondContact O-CB 3.08Å; L332-A336 PolarHBondContact O-N 3.07Å; I333-A336 PolarHBondContact O-N 2.92Å; A336-G338 VanDerWaalsContact C-N 3.34Å; A336-C377 HydrophobicContact CB-CB 4.31Å; A336-C377 WeakPolarHBondContact O-CB 3.33Å; A336-N379 PolarHBondContact O-N 3.37Å; A336-N379 VanDerWaalsContact O-O 3.05Å; A336-A382 HydrophobicContact CB-CB 3.83Å
337T91.2Very high91.6Very high1 Ų150.1 Ų50.11%0.00627%0.272CS..Hα-helixtrans-82.9-14.1-172.265.80000113I248 I333 G339 G354 F355 A356 I374I248-T337 HydrophobicContact CD1-CG2 3.94Å; I333-T337 HydrophobicContact CG2-CG2 4Å; I333-T337 VanDerWaalsContact O-CB 3.28Å; I333-T337 WeakPolarHBondContact O-CB 3.41Å; I333-T337 WeakPolarHBondContact O-CG2 3.45Å; I333-T337 PolarHBondContact O-N 3.04Å; I333-T337 PolarHBondContact O-OG1 3.11Å; T337-G339 PolarHBondContact O-N 3.03Å; T337-G339 PolarHBondContact OG1-N 3.06Å; T337-G354 WeakPolarHBondContact OG1-CA 3.31Å; T337-F355 PolarHBondContact O-N 3.15Å; T337-A356 HydrophobicContact CG2-CB 4.41Å; T337-I374 HydrophobicContact CG2-CG2 4.31Å
338G89.6Confident91.5Very high51 Ų5149.6 Ų49.653%0.52626%0.263SS..THydrogen-bonded Turntrans72.712.9-171.800000113.7A334 A336A334-G338 CarbonylContact O-C 3.45Å; A334-G338 WeakPolarHBondContact O-CA 3.46Å; A334-G338 PolarHBondContact O-N 2.93Å; A336-G338 VanDerWaalsContact C-N 3.34Å
339G91.3Very high91.5Very high9 Ų948 Ų489%0.09325%0.252CS..  trans-76.6160.8177.200000112.3A334 T337 K352A334-G339 PolarHBondContact O-N 2.83Å; A334-G339 VanDerWaalsContact O-N 3.16Å; T337-G339 PolarHBondContact O-N 3.03Å; T337-G339 PolarHBondContact OG1-N 3.06Å; G339-K352 WeakPolarHBondContact CA-O 3.32Å
340R93.8Very high91.5Very high175 Ų17550 Ų5066%0.6627%0.273SS*.  trans-104.3140.5170.7-65.2-167.5-178.41791.7110V342 K352R340-V342 WeakPolarHBondContact O-CG2 3.47Å; R340-V342 PolarHBondContact O-N 2.76Å; R340-K352 HydrophobicContact CB-CB 4.12Å; R340-K352 HydrophobicContact CB-CG 4.17Å; R340-K352 PolarHBondContact N-O 3.08Å
341I94.8Very high91.4Very high70 Ų7058.7 Ų58.736%0.35931%0.313SS..  trans-71.5123.3174-54.8171.1000108.4I250 T252 I330 E331 A334I250-I341 HydrophobicContact CG2-CG1 4.12Å; T252-I341 HydrophobicContact CG2-CG2 3.31Å; I330-I341 HydrophobicContact CG2-CD1 3.84Å; I330-I341 HydrophobicContact CG2-CG1 3.87Å; I330-I341 HydrophobicContact CG2-CG2 4.13Å; E331-I341 HydrophobicContact CG-CD1 3.97Å; A334-I341 HydrophobicContact CB-CD1 4.28Å; A334-I341 HydrophobicContact CB-CG1 3.82Å
342V94.4Very high91.4Very high2 Ų255.6 Ų55.61%0.01230%0.298CS..BIsolated β-bridgetrans-112.6126-175.8-177.80000111I250 L251 T252 R340 R344 E347 L348 K352I250-V342 PolarHBondContact O-N 3.21Å; L251-V342 WeakPolarHBondContact CA-O 3.42Å; L251-V342 HydrophobicContact CD2-CB 4.23Å; T252-V342 PolarHBondContact N-O 3.01Å; T252-V342 PolarHBondContact OG1-O 3.37Å; R340-V342 WeakPolarHBondContact O-CG2 3.47Å; R340-V342 PolarHBondContact O-N 2.76Å; V342-R344 WeakPolarHBondContact CG1-O 2.83Å; V342-E347 HydrophobicContact CG1-CB 3.96Å; V342-L348 HydrophobicContact CB-CD1 4.35Å; V342-L348 HydrophobicContact CG2-CD1 3.96Å; V342-K352 HydrophobicContact CG2-CB 4.19Å; V342-K352 HydrophobicContact CG2-CD 3.81Å
343P92.4Very high91.5Very high63 Ų6355.7 Ų55.741%0.40930%0.299SS..SBendtrans-85.3-18.1-177.932.7-35.7000115.2T252 C253T252-P343 VanDerWaalsContact OG1-CA 3.31Å; T252-P343 WeakPolarHBondContact OG1-CA 3.13Å; C253-P343 WeakPolarHBondContact CB-O 3.25Å
344R89.7Confident91.5Very high150 Ų15055.8 Ų55.857%0.56630%0.299SS*.SBendtrans-140.4138.5-177.3-71.5-175.5-79.4-124.3-0.6110.6V342 S346 E347V342-R344 WeakPolarHBondContact CG1-O 2.83Å; R344-S346 PolarHBondContact O-N 3.35Å; R344-E347 HydrophobicContact CB-CG 4.38Å; R344-E347 IonicContact CZ-OE1 3.8Å; R344-E347 IonicContact NE-OE1 3.52Å; R344-E347 PolarHBondContact NE-OE1 2.99Å; R344-E347 IonicContact NH2-OE1 2.8Å; R344-E347 PolarHBondContact NH2-OE1 3.22Å; R344-E347 PolarHBondContact O-N 3.39Å
345F88.1Confident91.5Very high20 Ų2058 Ų589%0.08831%0.307CS..G310 helixtrans-54.9-38.1178.4-61.6-79.3000113.3L251 C253 F255 M288 I292 E347 L348L251-F345 HydrophobicContact CD1-CD1 4.2Å; L251-F345 HydrophobicContact CD1-CE1 3.75Å; L251-F345 HydrophobicContact CD2-CD1 4.46Å; C253-F345 HydrophobicContact CB-CE2 4.08Å; C253-F345 HydrophobicContact CB-CZ 4.49Å; C253-F345 WeakPolarHBondContact SG-CE2 3.33Å; C253-F345 VanDerWaalsContact SG-CZ 3.54Å; F255-F345 HydrophobicContact CD1-CE1 4.03Å; F255-F345 AromaticContact CD1-CZ 3.87Å; F255-F345 HydrophobicContact CD1-CZ 3.87Å; F255-F345 HydrophobicContact CD2-CE1 4.27Å; F255-F345 HydrophobicContact CD2-CZ 4.02Å; F255-F345 AromaticContact CE1-CE1 3.67Å; F255-F345 HydrophobicContact CE1-CE1 3.67Å; F255-F345 HydrophobicContact CE1-CZ 4.02Å; F255-F345 AromaticContact CE2-CE1 3.99Å; F255-F345 HydrophobicContact CE2-CE1 3.99Å; F255-F345 HydrophobicContact CE2-CZ 4.21Å; F255-F345 HydrophobicContact CG-CE1 4.34Å; F255-F345 AromaticContact CG-CZ 3.91Å; F255-F345 HydrophobicContact CG-CZ 3.91Å; F255-F345 AromaticContact CZ-CE1 3.7Å; F255-F345 HydrophobicContact CZ-CE1 3.7Å; F255-F345 HydrophobicContact CZ-CZ 4.23Å; M288-F345 HydrophobicContact CB-CD1 4.4Å; M288-F345 HydrophobicContact CB-CD2 4.44Å; M288-F345 HydrophobicContact CB-CE1 4.48Å; M288-F345 HydrophobicContact CB-CG 4.38Å; M288-F345 HydrophobicContact CE-CE2 4.49Å; M288-F345 HydrophobicContact CG-CD2 3.85Å; M288-F345 HydrophobicContact CG-CE2 4.02Å; M288-F345 HydrophobicContact CG-CG 4.2Å; M288-F345 HydrophobicContact CG-CZ 4.49Å; M288-F345 HydrophobicContact SD-CD2 4.05Å; M288-F345 HydrophobicContact SD-CE2 3.64Å; M288-F345 HydrophobicContact SD-CZ 4.13Å; I292-F345 HydrophobicContact CD1-CD1 4.06Å; I292-F345 HydrophobicContact CD1-CE1 3.99Å; I292-F345 HydrophobicContact CG1-CD1 4.24Å; F345-E347 PolarHBondContact O-N 2.84Å; F345-L348 WeakPolarHBondContact O-CB 3.39Å; F345-L348 PolarHBondContact O-N 2.73Å; F345-L348 VanDerWaalsContact O-N 3.09Å
346S87.4Confident91.5Very high91 Ų9154.6 Ų54.664%0.63629%0.29SS*.G310 helixtrans-66.6-17.4178.957.40000115R344R344-S346 PolarHBondContact O-N 3.35Å
347E90.4Very high91.5Very high60 Ų6054.9 Ų54.928%0.2829%0.292SS..G310 helixtrans-93.6-3.3177-68.7178.5-156.200112.7V342 R344 F345 T349 K352V342-E347 HydrophobicContact CG1-CB 3.96Å; R344-E347 HydrophobicContact CB-CG 4.38Å; R344-E347 IonicContact CZ-OE1 3.8Å; R344-E347 IonicContact NE-OE1 3.52Å; R344-E347 PolarHBondContact NE-OE1 2.99Å; R344-E347 IonicContact NH2-OE1 2.8Å; R344-E347 PolarHBondContact NH2-OE1 3.22Å; R344-E347 PolarHBondContact O-N 3.39Å; F345-E347 PolarHBondContact O-N 2.84Å; E347-T349 PolarHBondContact O-N 2.87Å; E347-K352 WeakPolarHBondContact O-CE 3.25Å; E347-K352 PolarHBondContact O-NZ 3.38Å
348L90.6Very high91.5Very high13 Ų1355.9 Ų55.97%0.06830%0.297CS..  trans-68.1128.4177.7-165.768.9000108.9A249 L251 I292 T295 V342 F345 L353A249-L348 HydrophobicContact CB-CD1 4.16Å; A249-L348 HydrophobicContact CB-CD2 4.1Å; L251-L348 HydrophobicContact CD2-CD1 4.27Å; I292-L348 HydrophobicContact CB-CD2 4.24Å; I292-L348 HydrophobicContact CG1-CD2 3.89Å; I292-L348 HydrophobicContact CG2-CD2 4.3Å; T295-L348 HydrophobicContact CG2-CB 4.16Å; T295-L348 HydrophobicContact CG2-CD2 3.92Å; T295-L348 HydrophobicContact CG2-CG 3.76Å; V342-L348 HydrophobicContact CB-CD1 4.35Å; V342-L348 HydrophobicContact CG2-CD1 3.96Å; F345-L348 WeakPolarHBondContact O-CB 3.39Å; F345-L348 PolarHBondContact O-N 2.73Å; F345-L348 VanDerWaalsContact O-N 3.09Å; L348-L353 HydrophobicContact CD1-CD2 4.03Å; L348-L353 HydrophobicContact CG-CD2 4.42Å
349T91.2Very high91.7Very high60 Ų6053.4 Ų53.437%0.36827%0.272SS..  trans-137.8153.5179.944.20000107.8E347 E351 K352E347-T349 PolarHBondContact O-N 2.87Å; T349-E351 PolarHBondContact O-N 3.13Å; T349-E351 VanDerWaalsContact O-N 3.15Å; T349-K352 PolarHBondContact O-N 3.41Å; T349-K352 WeakPolarHBondContact OG1-CD 3.29Å; T349-K352 WeakPolarHBondContact OG1-CE 3.49Å; T349-K352 VanDerWaalsContact OG1-CG 3.27Å; T349-K352 WeakPolarHBondContact OG1-CG 3.47Å
350A91.7Very high91.8Very high67 Ų6755.5 Ų55.555%0.55428%0.28SS*.G310 helixtrans-58.3-29.9-176.900000113.3K352 L353A350-K352 VanDerWaalsContact C-N 3.29Å; A350-K352 PolarHBondContact O-N 3.27Å; A350-L353 PolarHBondContact O-N 2.96Å
351E91.7Very high91.7Very high185 Ų18548.5 Ų48.586%0.86426%0.255SS*.G310 helixtrans-69.8-24177.2-62.3-178.9179.700113.7T349 L353T349-E351 PolarHBondContact O-N 3.13Å; T349-E351 VanDerWaalsContact O-N 3.15Å; E351-L353 VanDerWaalsContact C-N 3.34Å
352K92.3Very high91.4Very high50 Ų5047.5 Ų47.522%0.21725%0.249CC..G310 helixtrans-85.8-8.1-179-67-178.7-171.21760112.8G339 R340 V342 E347 T349 A350G339-K352 WeakPolarHBondContact CA-O 3.32Å; R340-K352 HydrophobicContact CB-CB 4.12Å; R340-K352 HydrophobicContact CB-CG 4.17Å; R340-K352 PolarHBondContact N-O 3.08Å; V342-K352 HydrophobicContact CG2-CB 4.19Å; V342-K352 HydrophobicContact CG2-CD 3.81Å; E347-K352 WeakPolarHBondContact O-CE 3.25Å; E347-K352 PolarHBondContact O-NZ 3.38Å; T349-K352 PolarHBondContact O-N 3.41Å; T349-K352 WeakPolarHBondContact OG1-CD 3.29Å; T349-K352 WeakPolarHBondContact OG1-CE 3.49Å; T349-K352 VanDerWaalsContact OG1-CG 3.27Å; T349-K352 WeakPolarHBondContact OG1-CG 3.47Å; A350-K352 VanDerWaalsContact C-N 3.29Å; A350-K352 PolarHBondContact O-N 3.27Å
353L92.8Very high90.9Very high19 Ų1951.4 Ų51.410%0.09928%0.277CS..  trans-72.4136-178.6-60.1179.5000111.2K247 I248 A249 T295 A297 L348 A350 E351K247-L353 HydrophobicContact CB-CD1 4.28Å; I248-L353 WeakPolarHBondContact O-CA 3.45Å; A249-L353 HydrophobicContact CB-CD2 3.95Å; T295-L353 WeakPolarHBondContact O-CD1 3.33Å; A297-L353 HydrophobicContact CB-CD1 3.95Å; A297-L353 HydrophobicContact CB-CD2 3.8Å; L348-L353 HydrophobicContact CD1-CD2 4.03Å; L348-L353 HydrophobicContact CG-CD2 4.42Å; A350-L353 PolarHBondContact O-N 2.96Å; E351-L353 VanDerWaalsContact C-N 3.34Å
354G92.2Very high90.2Very high1 Ų149.6 Ų49.61%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-74.6156.2169.500000111.3K247 I248 T337K247-G354 CarbonylContact C-O 3.51Å; K247-G354 VanDerWaalsContact CA-O 3.29Å; K247-G354 WeakPolarHBondContact CA-O 3.37Å; I248-G354 PolarHBondContact N-O 3.11Å; I248-G354 PolarHBondContact O-N 3.3Å; T337-G354 WeakPolarHBondContact OG1-CA 3.31Å
355F93.2Very high89.4Confident59 Ų5945.9 Ų45.926%0.25927%0.271SS..EExtended strand (participates in β ladder)trans-121.9130.3172.5-179.6-90.9000111.4D245 A246 T337 K378D245-F355 HydrophobicContact CB-CE2 4.35Å; A246-F355 CarbonylContact O-C 3.59Å; A246-F355 WeakPolarHBondContact O-CA 3.33Å; T337-F355 PolarHBondContact O-N 3.15Å; F355-K378 HydrophobicContact CB-CD 3.93Å; F355-K378 HydrophobicContact CB-CG 4.05Å; F355-K378 HydrophobicContact CD1-CD 4.44Å; F355-K378 HydrophobicContact CD1-CG 3.8Å; F355-K378 HydrophobicContact CG-CD 4.46Å; F355-K378 HydrophobicContact CG-CG 4.29Å
356A92Very high88.4Confident0 Ų052.1 Ų52.10%031%0.311CS..EExtended strand (participates in β ladder)trans-136.8132.3170.300000109.9D245 A246 I248 T337 L358 V359 I374D245-A356 CarbonylContact C-O 3.47Å; A246-A356 WeakPolarHBondContact CA-O 3.41Å; A246-A356 HydrophobicContact CB-CB 4.39Å; A246-A356 WeakPolarHBondContact CB-O 3.37Å; A246-A356 PolarHBondContact N-O 3.08Å; A246-A356 PolarHBondContact O-N 2.86Å; I248-A356 HydrophobicContact CD1-CB 3.97Å; T337-A356 HydrophobicContact CG2-CB 4.41Å; A356-L358 VanDerWaalsContact C-N 3.33Å; A356-L358 PolarHBondContact O-N 3.19Å; A356-V359 HydrophobicContact CB-CG2 4.21Å; A356-I374 HydrophobicContact CB-CG2 3.54Å
357G90.4Very high87.5Confident6 Ų651.2 Ų51.26%0.06230%0.302CS..EExtended strand (participates in β ladder)trans-68.1-31.6-179.800000113.4E244 D245 E375 Q376E244-G357 WeakPolarHBondContact CA-O 3.3Å; D245-G357 PolarHBondContact N-O 2.93Å; G357-E375 PolarHBondContact N-O 3.39Å; G357-Q376 PolarHBondContact N-O 3.4Å
358L92.4Very high86.6Confident22 Ų2257.8 Ų57.812%0.11533%0.329CS..EExtended strand (participates in β ladder)trans-142126.3-179.4-179.963.2000111.9K242 E244 A356 E375K242-L358 HydrophobicContact CD-CD1 4.11Å; K242-L358 HydrophobicContact CG-CD1 3.7Å; E244-L358 HydrophobicContact CG-CD1 4.4Å; A356-L358 VanDerWaalsContact C-N 3.33Å; A356-L358 PolarHBondContact O-N 3.19Å; L358-E375 HydrophobicContact CB-CB 4.44Å; L358-E375 PolarHBondContact N-O 3.49Å; L358-E375 VanDerWaalsContact N-O 3.14Å; L358-E375 PolarHBondContact O-N 3.16Å
359V93.6Very high86.2Confident0 Ų061.4 Ų61.40%035%0.349CS..EExtended strand (participates in β ladder)trans-120.8120.3166.5-178.20000108.5F234 K242 V243 A246 I248 L299 A356 L372 V373 I374F234-V359 HydrophobicContact CZ-CG1 4.23Å; K242-V359 CarbonylContact C-O 3.6Å; K242-V359 WeakPolarHBondContact CA-O 3.47Å; V243-V359 HydrophobicContact CB-CB 4.39Å; V243-V359 PolarHBondContact N-O 3.35Å; V243-V359 PolarHBondContact O-N 2.88Å; A246-V359 HydrophobicContact CB-CG2 3.64Å; I248-V359 HydrophobicContact CD1-CG2 4.2Å; L299-V359 HydrophobicContact CD2-CB 4.14Å; L299-V359 HydrophobicContact CD2-CG1 3.83Å; L299-V359 HydrophobicContact CD2-CG2 3.82Å; A356-V359 HydrophobicContact CB-CG2 4.21Å; V359-L372 HydrophobicContact CG1-CD1 3.67Å; V359-L372 HydrophobicContact CG1-CD2 3.72Å; V359-L372 HydrophobicContact CG1-CG 3.69Å; V359-V373 WeakPolarHBondContact CA-O 3.31Å; V359-I374 HydrophobicContact CG1-CG1 4.21Å; V359-I374 HydrophobicContact CG2-CB 4.47Å; V359-I374 HydrophobicContact CG2-CG1 4.17Å; V359-I374 HydrophobicContact CG2-CG2 4.13Å
360Q92.8Very high85.9Confident53 Ų5361.6 Ų61.625%0.24835%0.345CS..EExtended strand (participates in β ladder)trans-134.7141.3-178.463.7-179.6-700112.5K241 K242 I362 V373K241-Q360 CarbonylContact O-C 3.59Å; K241-Q360 WeakPolarHBondContact O-CA 3.35Å; K242-Q360 HydrophobicContact CG-CB 4.43Å; Q360-I362 HydrophobicContact CG-CD1 4.25Å; Q360-I362 HydrophobicContact CG-CG1 3.94Å; Q360-V373 HydrophobicContact CG-CB 4.23Å; Q360-V373 PolarHBondContact N-O 3.23Å; Q360-V373 PolarHBondContact O-N 3.09Å
361E91.7Very high85.8Confident28 Ų2858.5 Ų58.513%0.13132%0.318CS..EExtended strand (participates in β ladder)trans-86.8112.7169.9-179.3-171.9-17600108.6F234 K241 K370 M371F234-E361 HydrophobicContact CD2-CB 3.83Å; F234-E361 HydrophobicContact CD2-CG 4.39Å; F234-E361 HydrophobicContact CE2-CB 3.73Å; K241-E361 HydrophobicContact CB-CB 4.31Å; K241-E361 WeakPolarHBondContact CG-OE2 3.35Å; K241-E361 PolarHBondContact O-N 3.04Å; E361-K370 HydrophobicContact CG-CB 4.04Å; E361-K370 HydrophobicContact CG-CD 4Å; E361-K370 WeakPolarHBondContact OE1-CD 3.4Å; E361-K370 WeakPolarHBondContact OE1-CE 3.46Å; E361-K370 IonicContact OE1-NZ 3.61Å; E361-K370 PolarHBondContact OE1-NZ 3.39Å; E361-M371 CarbonylContact C-O 3.59Å; E361-M371 WeakPolarHBondContact CA-O 3.33Å
362I87.5Confident85.9Confident48 Ų4849.7 Ų49.725%0.24628%0.278CS..EExtended strand (participates in β ladder)trans-100.2124.5177.6-50.3-174.5000108.5Q360 F364 K370 M371 V373Q360-I362 HydrophobicContact CG-CD1 4.25Å; Q360-I362 HydrophobicContact CG-CG1 3.94Å; I362-F364 HydrophobicContact CB-CE1 4.35Å; I362-F364 HydrophobicContact CB-CE2 3.82Å; I362-F364 HydrophobicContact CB-CZ 3.64Å; I362-F364 HydrophobicContact CD1-CZ 4.49Å; I362-F364 HydrophobicContact CG2-CD1 4.18Å; I362-F364 HydrophobicContact CG2-CD2 4.46Å; I362-F364 HydrophobicContact CG2-CE1 3.55Å; I362-F364 HydrophobicContact CG2-CE2 3.81Å; I362-F364 HydrophobicContact CG2-CZ 3.36Å; I362-F364 VanDerWaalsContact O-CE2 3.28Å; I362-F364 WeakPolarHBondContact O-CE2 3.3Å; I362-K370 VanDerWaalsContact O-CA 3.31Å; I362-K370 WeakPolarHBondContact O-CA 2.88Å; I362-M371 PolarHBondContact N-O 3.05Å; I362-M371 PolarHBondContact O-N 3.5Å; I362-V373 HydrophobicContact CD1-CB 3.98Å; I362-V373 HydrophobicContact CD1-CG1 4.48Å; I362-V373 HydrophobicContact CD1-CG2 3.47Å; I362-V373 VanDerWaalsContact CD1-CG2 3.47Å; I362-V373 HydrophobicContact CG1-CB 4.35Å; I362-V373 HydrophobicContact CG1-CG2 3.88Å
363S84.2Confident85.9Confident85 Ų8547.4 Ų47.459%0.59427%0.268SS*.EExtended strand (participates in β ladder)trans-91.8136.6169.756.50000110.5
364F78.6Confident85.9Confident24 Ų2446.5 Ų46.511%0.10526%0.263CS..  trans-114.5124.3-177.4-60.8-80.6000111.9I362 T367 D369 M371 F386 R388I362-F364 HydrophobicContact CB-CE1 4.35Å; I362-F364 HydrophobicContact CB-CE2 3.82Å; I362-F364 HydrophobicContact CB-CZ 3.64Å; I362-F364 HydrophobicContact CD1-CZ 4.49Å; I362-F364 HydrophobicContact CG2-CD1 4.18Å; I362-F364 HydrophobicContact CG2-CD2 4.46Å; I362-F364 HydrophobicContact CG2-CE1 3.55Å; I362-F364 HydrophobicContact CG2-CE2 3.81Å; I362-F364 HydrophobicContact CG2-CZ 3.36Å; I362-F364 VanDerWaalsContact O-CE2 3.28Å; I362-F364 WeakPolarHBondContact O-CE2 3.3Å; F364-T367 PolarHBondContact O-OG1 3.4Å; F364-T367 VanDerWaalsContact O-OG1 3.09Å; F364-D369 PolarHBondContact N-O 2.96Å; F364-M371 HydrophobicContact CD2-CE 3.53Å; F364-M371 HydrophobicContact CE2-CB 4.1Å; F364-M371 HydrophobicContact CE2-CE 3.03Å; F364-M371 HydrophobicContact CE2-CG 4.29Å; F364-M371 HydrophobicContact CG-CE 4.47Å; F364-M371 HydrophobicContact CZ-CE 3.6Å; F364-F386 HydrophobicContact CD1-CE1 4.25Å; F364-F386 HydrophobicContact CD1-CZ 4.29Å; F364-F386 AromaticContact CE1-CE1 3.48Å; F364-F386 HydrophobicContact CE1-CE1 3.48Å; F364-F386 VanDerWaalsContact CE1-CE1 3.48Å; F364-F386 AromaticContact CE1-CZ 3.77Å; F364-F386 HydrophobicContact CE1-CZ 3.77Å; F364-F386 HydrophobicContact CE2-CZ 4.29Å; F364-F386 AromaticContact CZ-CE1 3.71Å; F364-F386 HydrophobicContact CZ-CE1 3.71Å; F364-F386 AromaticContact CZ-CZ 3.74Å; F364-F386 HydrophobicContact CZ-CZ 3.74Å; F364-R388 VanDerWaalsContact CD1-NH1 3.29Å
365G72.5Confident85.8Confident72 Ų7248.9 Ų48.974%0.74227%0.274SS*.THydrogen-bonded Turntrans63.6-148173.600000113.7
366T66.7Low85.5Confident151 Ų15152.4 Ų52.493%0.92629%0.291SS*.THydrogen-bonded Turntrans-94.9-8.1175.153.40000112.7
367T68.8Low85Confident73 Ų7353.2 Ų53.245%0.44830%0.297SS..SBendtrans-69.6144.2171.935.40000108.8F364 D369F364-T367 PolarHBondContact O-OG1 3.4Å; F364-T367 VanDerWaalsContact O-OG1 3.09Å; T367-D369 PolarHBondContact O-N 3.21Å
368K71.9Confident84.2Confident197 Ų19760.6 Ų60.686%0.85733%0.327SS*.SBendtrans-72.911176.9-68.8-177178.41780112.6
369D81Confident83.3Confident89 Ų8962.2 Ų62.248%0.47634%0.336SS..  trans-77.6132.5-176.6-62.4-17.9000109.4F364 T367F364-D369 PolarHBondContact N-O 2.96Å; T367-D369 PolarHBondContact O-N 3.21Å
370K85.6Confident82.3Confident65 Ų6565.2 Ų65.228%0.28336%0.357SS..EExtended strand (participates in β ladder)trans-136.5147.2-178.3-49.3-179.3-163.9159.30108.2D233 E361 I362D233-K370 HydrophobicContact CB-CB 4.39Å; E361-K370 HydrophobicContact CG-CB 4.04Å; E361-K370 HydrophobicContact CG-CD 4Å; E361-K370 WeakPolarHBondContact OE1-CD 3.4Å; E361-K370 WeakPolarHBondContact OE1-CE 3.46Å; E361-K370 IonicContact OE1-NZ 3.61Å; E361-K370 PolarHBondContact OE1-NZ 3.39Å; I362-K370 VanDerWaalsContact O-CA 3.31Å; I362-K370 WeakPolarHBondContact O-CA 2.88Å
371M90.9Very high81.8Confident1 Ų169 Ų691%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-132.8150.5176.2-62.3-176.6-73.300109.7K214 I229 V230 K232 E361 I362 F364 F386K214-M371 HydrophobicContact CB-CE 4.23Å; K214-M371 HydrophobicContact CD-CE 4.49Å; K214-M371 HydrophobicContact CD-SD 4.14Å; K214-M371 WeakPolarHBondContact CE-SD 3.32Å; K214-M371 HydrophobicContact CG-CE 3.46Å; K214-M371 VanDerWaalsContact CG-CE 3.46Å; K214-M371 HydrophobicContact CG-SD 3.56Å; K214-M371 VanDerWaalsContact CG-SD 3.56Å; I229-M371 HydrophobicContact CG2-CB 4.03Å; I229-M371 HydrophobicContact CG2-SD 3.95Å; V230-M371 WeakPolarHBondContact O-CB 3.33Å; K232-M371 CarbonylContact O-C 3.29Å; E361-M371 CarbonylContact C-O 3.59Å; E361-M371 WeakPolarHBondContact CA-O 3.33Å; I362-M371 PolarHBondContact N-O 3.05Å; I362-M371 PolarHBondContact O-N 3.5Å; F364-M371 HydrophobicContact CD2-CE 3.53Å; F364-M371 HydrophobicContact CE2-CB 4.1Å; F364-M371 HydrophobicContact CE2-CE 3.03Å; F364-M371 HydrophobicContact CE2-CG 4.29Å; F364-M371 HydrophobicContact CG-CE 4.47Å; F364-M371 HydrophobicContact CZ-CE 3.6Å; M371-F386 HydrophobicContact CE-CD2 4.37Å; M371-F386 HydrophobicContact CE-CE1 4.43Å; M371-F386 HydrophobicContact CE-CE2 3.36Å; M371-F386 HydrophobicContact CE-CZ 3.37Å; M371-F386 HydrophobicContact SD-CE2 4.36Å
372L92.4Very high81.6Confident1 Ų167.7 Ų67.71%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-91.3126.7174.8-169.3110.9000108.7I229 V230 K232 F234 V322 V359 I374I229-L372 WeakPolarHBondContact CA-O 3.47Å; V230-L372 HydrophobicContact CB-CB 4.36Å; V230-L372 PolarHBondContact N-O 3.34Å; V230-L372 PolarHBondContact O-N 2.84Å; K232-L372 PolarHBondContact O-N 3.44Å; K232-L372 VanDerWaalsContact O-N 3.13Å; F234-L372 HydrophobicContact CD1-CD1 4.17Å; F234-L372 HydrophobicContact CD2-CD1 4.28Å; F234-L372 HydrophobicContact CE1-CD1 3.62Å; F234-L372 HydrophobicContact CE2-CD1 3.75Å; F234-L372 HydrophobicContact CG-CD1 4.48Å; F234-L372 HydrophobicContact CZ-CD1 3.39Å; V322-L372 HydrophobicContact CG2-CD1 3.97Å; V322-L372 HydrophobicContact CG2-CD2 4.33Å; V359-L372 HydrophobicContact CG1-CD1 3.67Å; V359-L372 HydrophobicContact CG1-CD2 3.72Å; V359-L372 HydrophobicContact CG1-CG 3.69Å; L372-I374 HydrophobicContact CD2-CD1 3.78Å; L372-I374 HydrophobicContact CD2-CG1 3.6Å
373V93.2Very high81.8Confident1 Ų165.5 Ų65.51%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-112.8121.1177.4179.20000108.3I225 I229 V359 Q360 I362 E375I225-V373 HydrophobicContact CD1-CG1 4.08Å; I225-V373 HydrophobicContact CG2-CG1 3.91Å; I229-V373 HydrophobicContact CG1-CG2 4.23Å; I229-V373 HydrophobicContact CG2-CG2 4.4Å; V359-V373 WeakPolarHBondContact CA-O 3.31Å; Q360-V373 HydrophobicContact CG-CB 4.23Å; Q360-V373 PolarHBondContact N-O 3.23Å; Q360-V373 PolarHBondContact O-N 3.09Å; I362-V373 HydrophobicContact CD1-CB 3.98Å; I362-V373 HydrophobicContact CD1-CG1 4.48Å; I362-V373 HydrophobicContact CD1-CG2 3.47Å; I362-V373 VanDerWaalsContact CD1-CG2 3.47Å; I362-V373 HydrophobicContact CG1-CB 4.35Å; I362-V373 HydrophobicContact CG1-CG2 3.88Å; V373-E375 HydrophobicContact CG1-CG 3.84Å
374I92.6Very high82.3Confident1 Ų161.5 Ų61.51%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-107.4114.4179.1-55.6174.9000107.5G227 V228 I248 I301 I333 T337 A356 V359 L372G227-I374 VanDerWaalsContact CA-O 3.29Å; G227-I374 WeakPolarHBondContact CA-O 3.41Å; V228-I374 PolarHBondContact N-O 3.21Å; V228-I374 VanDerWaalsContact N-O 3.09Å; V228-I374 PolarHBondContact O-N 3.48Å; I248-I374 HydrophobicContact CD1-CG2 4.27Å; I301-I374 HydrophobicContact CD1-CD1 3.91Å; I333-I374 HydrophobicContact CD1-CD1 4.16Å; I333-I374 HydrophobicContact CG1-CD1 4.01Å; I333-I374 HydrophobicContact CG2-CD1 4.25Å; T337-I374 HydrophobicContact CG2-CG2 4.31Å; A356-I374 HydrophobicContact CB-CG2 3.54Å; V359-I374 HydrophobicContact CG1-CG1 4.21Å; V359-I374 HydrophobicContact CG2-CB 4.47Å; V359-I374 HydrophobicContact CG2-CG1 4.17Å; V359-I374 HydrophobicContact CG2-CG2 4.13Å; L372-I374 HydrophobicContact CD2-CD1 3.78Å; L372-I374 HydrophobicContact CD2-CG1 3.6Å
375E90Very high83Confident50 Ų5060.3 Ų60.323%0.23432%0.319CS..EExtended strand (participates in β ladder)trans-125165.7-176.5-76.1177166.100111.9I225 G357 L358 V373 C377I225-E375 HydrophobicContact CG2-CG 3.9Å; G357-E375 PolarHBondContact N-O 3.39Å; L358-E375 HydrophobicContact CB-CB 4.44Å; L358-E375 PolarHBondContact N-O 3.49Å; L358-E375 VanDerWaalsContact N-O 3.14Å; L358-E375 PolarHBondContact O-N 3.16Å; V373-E375 HydrophobicContact CG1-CG 3.84Å; E375-C377 PolarHBondContact O-N 3.45Å
376Q86.3Confident84Confident133 Ų13357.4 Ų57.462%0.62129%0.285SS*.EExtended strand (participates in β ladder)trans60.144.7176.4-55.2179.8-2.300113G357G357-Q376 PolarHBondContact N-O 3.4Å
377C82.3Confident85.3Confident18 Ų1850.2 Ų50.212%0.12224%0.241CC..EExtended strand (participates in β ladder)trans-77.3156.1177-49.90000111.9A336 E375 N379A336-C377 HydrophobicContact CB-CB 4.31Å; A336-C377 WeakPolarHBondContact O-CB 3.33Å; E375-C377 PolarHBondContact O-N 3.45Å; C377-N379 VanDerWaalsContact C-N 3.31Å; C377-N379 PolarHBondContact O-N 3.3Å
378K73.8Confident86.4Confident160 Ų16048 Ų4870%0.69623%0.225SC*.SBendtrans-59.5-40.7177.6-74.6179.9177.6171.20112.8F355F355-K378 HydrophobicContact CB-CD 3.93Å; F355-K378 HydrophobicContact CB-CG 4.05Å; F355-K378 HydrophobicContact CD1-CD 4.44Å; F355-K378 HydrophobicContact CD1-CG 3.8Å; F355-K378 HydrophobicContact CG-CD 4.46Å; F355-K378 HydrophobicContact CG-CG 4.29Å
379N72.9Confident87.2Confident56 Ų5638.6 Ų38.630%0.29918%0.184SC..  trans-108.398.4-178.7-174.419.2000109I335 A336 C377 R381I335-N379 WeakPolarHBondContact O-CB 3.22Å; I335-N379 PolarHBondContact O-ND2 3.43Å; I335-N379 VanDerWaalsContact O-ND2 3.1Å; A336-N379 PolarHBondContact O-N 3.37Å; A336-N379 VanDerWaalsContact O-O 3.05Å; C377-N379 VanDerWaalsContact C-N 3.31Å; C377-N379 PolarHBondContact O-N 3.3Å; N379-R381 PolarHBondContact O-N 2.95Å; N379-R381 VanDerWaalsContact O-N 3.08Å; N379-R381 VanDerWaalsContact OD1-CG 3.31Å; N379-R381 WeakPolarHBondContact OD1-CG 2.99Å
380S72.5Confident87.6Confident64 Ų6437.1 Ų37.145%0.44819%0.19SC..THydrogen-bonded Turntrans-75.28.9-176.862.80000114.2T195 A382T195-S380 WeakPolarHBondContact CG2-O 2.97Å; S380-A382 VanDerWaalsContact C-N 3.27Å; S380-A382 PolarHBondContact O-N 3.13Å
381R82.4Confident87.8Confident132 Ų13236.6 Ų36.650%0.49819%0.19SC..THydrogen-bonded Turntrans-70.1-20.3-177.1-72.5-175.5-179-156.1-1.9114V196 N379V196-R381 WeakPolarHBondContact CG2-O 3.29Å; N379-R381 PolarHBondContact O-N 2.95Å; N379-R381 VanDerWaalsContact O-N 3.08Å; N379-R381 VanDerWaalsContact OD1-CG 3.31Å; N379-R381 WeakPolarHBondContact OD1-CG 2.99Å
382A87.5Confident87.7Confident1 Ų143 Ų431%0.00822%0.218CC..  trans-95.5125.4173.300000109.8L208 G227 L332 A336 S380L208-A382 WeakPolarHBondContact O-CA 3.44Å; G227-A382 PolarHBondContact N-O 3.18Å; L332-A382 HydrophobicContact CD2-CB 4.41Å; A336-A382 HydrophobicContact CB-CB 3.83Å; S380-A382 VanDerWaalsContact C-N 3.27Å; S380-A382 PolarHBondContact O-N 3.13Å
383V92.3Very high87.7Confident1 Ų146.5 Ų46.51%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-127.9149.5-179-62.80000110.3A192 T195 V196 L208 I209 K210 L224 G227A192-V383 HydrophobicContact CB-CG2 4.07Å; T195-V383 HydrophobicContact CG2-CG1 3.63Å; V196-V383 HydrophobicContact CG2-CG2 3.77Å; L208-V383 PolarHBondContact O-N 2.88Å; I209-V383 WeakPolarHBondContact CA-O 3.4Å; I209-V383 HydrophobicContact CB-CG2 4.32Å; I209-V383 HydrophobicContact CG1-CG2 3.89Å; I209-V383 HydrophobicContact CG2-CG2 4.19Å; K210-V383 PolarHBondContact N-O 3.3Å; L224-V383 HydrophobicContact CD1-CB 4.04Å; L224-V383 HydrophobicContact CD1-CG2 4.28Å; G227-V383 CarbonylContact O-C 3.59Å
384T93.4Very high87.6Confident1 Ų149 Ų491%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-119.6122.6173.8-54.80000110K210 E212 I225 G227 V228 I229K210-T384 HydrophobicContact CB-CG2 4.04Å; K210-T384 HydrophobicContact CD-CG2 4.32Å; K210-T384 HydrophobicContact CG-CG2 4.38Å; K210-T384 CarbonylContact O-C 3.56Å; K210-T384 VanDerWaalsContact O-CA 3.22Å; K210-T384 WeakPolarHBondContact O-CA 3.28Å; E212-T384 HydrophobicContact CB-CG2 4.2Å; E212-T384 HydrophobicContact CG-CG2 4.24Å; I225-T384 PolarHBondContact N-O 3.36Å; I225-T384 PolarHBondContact O-N 3.07Å; G227-T384 PolarHBondContact O-N 3.47Å; G227-T384 VanDerWaalsContact O-N 3.13Å; G227-T384 PolarHBondContact O-OG1 3.29Å; V228-T384 WeakPolarHBondContact CA-OG1 3.44Å; I229-T384 HydrophobicContact CB-CG2 3.94Å; I229-T384 HydrophobicContact CD1-CG2 3.51Å; I229-T384 HydrophobicContact CG1-CG2 3.68Å; I229-T384 PolarHBondContact N-OG1 2.85Å
385I94.5Very high87.6Confident0 Ų049.1 Ų49.10%025%0.248CC..EExtended strand (participates in β ladder)trans-86.5115.7168.6-58.6172.6000107.4I188 A192 I209 K210 V211 E212 T222 L224 I387 L402 L406I188-I385 HydrophobicContact CG2-CD1 4.21Å; I188-I385 HydrophobicContact CG2-CG1 4.06Å; I188-I385 HydrophobicContact CG2-CG2 3.84Å; A192-I385 HydrophobicContact CB-CD1 3.95Å; A192-I385 HydrophobicContact CB-CG1 4.25Å; I209-I385 HydrophobicContact CG2-CD1 3.96Å; I209-I385 HydrophobicContact CG2-CG1 4.32Å; K210-I385 PolarHBondContact O-N 2.85Å; V211-I385 HydrophobicContact CG2-CB 4.5Å; V211-I385 HydrophobicContact CG2-CD1 4.48Å; E212-I385 PolarHBondContact N-O 3.46Å; T222-I385 HydrophobicContact CG2-CG2 4.42Å; L224-I385 HydrophobicContact CD1-CG1 3.84Å; I385-I387 HydrophobicContact CG2-CG1 4.06Å; I385-L402 HydrophobicContact CG2-CD1 3.9Å; I385-L406 HydrophobicContact CD1-CD1 4.08Å; I385-L406 HydrophobicContact CD1-CD2 4.18Å
386F94.1Very high87.6Confident10 Ų1049.8 Ų49.84%0.04425%0.252CS..EExtended strand (participates in β ladder)trans-102.2108.5-179.5-176.3-128.4000111.3E212 K214 T222 K223 I225 I229 F364 M371 R388E212-F386 HydrophobicContact CB-CD2 4.41Å; E212-F386 CarbonylContact O-C 3.53Å; E212-F386 WeakPolarHBondContact O-CA 3.24Å; K214-F386 HydrophobicContact CB-CE2 3.94Å; K214-F386 HydrophobicContact CB-CZ 4.12Å; K214-F386 HydrophobicContact CG-CE2 4Å; K214-F386 HydrophobicContact CG-CZ 4.44Å; T222-F386 CarbonylContact C-O 3.47Å; T222-F386 VanDerWaalsContact CA-O 3.24Å; T222-F386 WeakPolarHBondContact CA-O 3.24Å; T222-F386 WeakPolarHBondContact CG2-O 3.24Å; K223-F386 PolarHBondContact N-O 3.48Å; K223-F386 PolarHBondContact O-N 3.45Å; I225-F386 HydrophobicContact CD1-CB 4.08Å; I229-F386 HydrophobicContact CD1-CB 3.54Å; I229-F386 HydrophobicContact CD1-CD2 3.88Å; I229-F386 HydrophobicContact CD1-CG 3.77Å; F364-F386 HydrophobicContact CD1-CE1 4.25Å; F364-F386 HydrophobicContact CD1-CZ 4.29Å; F364-F386 AromaticContact CE1-CE1 3.48Å; F364-F386 HydrophobicContact CE1-CE1 3.48Å; F364-F386 VanDerWaalsContact CE1-CE1 3.48Å; F364-F386 AromaticContact CE1-CZ 3.77Å; F364-F386 HydrophobicContact CE1-CZ 3.77Å; F364-F386 HydrophobicContact CE2-CZ 4.29Å; F364-F386 AromaticContact CZ-CE1 3.71Å; F364-F386 HydrophobicContact CZ-CE1 3.71Å; F364-F386 AromaticContact CZ-CZ 3.74Å; F364-F386 HydrophobicContact CZ-CZ 3.74Å; M371-F386 HydrophobicContact CE-CD2 4.37Å; M371-F386 HydrophobicContact CE-CE1 4.43Å; M371-F386 HydrophobicContact CE-CE2 3.36Å; M371-F386 HydrophobicContact CE-CZ 3.37Å; M371-F386 HydrophobicContact SD-CE2 4.36Å; F386-R388 HydrophobicContact CD1-CG 4.39Å; F386-R388 VanDerWaalsContact CE1-CD 3.46Å; F386-R388 HydrophobicContact CE1-CG 3.96Å; F386-R388 HydrophobicContact CZ-CG 4.3Å
387I93.4Very high87.9Confident0 Ų043.6 Ų43.60%022%0.223CC..EExtended strand (participates in β ladder)trans-97.2134.6-175-56.7168.5000110.3V211 E212 G213 K214 T222 I385 I395 A398 K399 L402V211-I387 HydrophobicContact CG1-CD1 3.4Å; V211-I387 VanDerWaalsContact CG1-CD1 3.4Å; V211-I387 HydrophobicContact CG1-CG1 4.3Å; E212-I387 PolarHBondContact O-N 3.38Å; G213-I387 WeakPolarHBondContact CA-O 3.46Å; K214-I387 PolarHBondContact N-O 2.98Å; T222-I387 HydrophobicContact CG2-CB 4.44Å; T222-I387 HydrophobicContact CG2-CG1 4.06Å; I385-I387 HydrophobicContact CG2-CG1 4.06Å; I387-I395 HydrophobicContact CG2-CG2 4.48Å; I387-A398 HydrophobicContact CG2-CB 3.79Å; I387-K399 HydrophobicContact CD1-CB 4.19Å; I387-K399 HydrophobicContact CD1-CG 3.54Å; I387-L402 HydrophobicContact CD1-CD1 3.38Å; I387-L402 HydrophobicContact CG1-CD1 3.66Å
388R90.8Very high88.4Confident27 Ų2742.8 Ų42.810%0.10222%0.217CC..EExtended strand (participates in β ladder)trans-119150.1175.1-64.3-60.8-64.3-79.46.1110.1G216 R218 L219 D221 T222 F364 F386G216-R388 VanDerWaalsContact C-NH2 3.25Å; G216-R388 VanDerWaalsContact O-CZ 3.3Å; G216-R388 PolarHBondContact O-NE 2.85Å; G216-R388 PolarHBondContact O-NH2 3.36Å; R218-R388 WeakPolarHBondContact O-CB 3.35Å; L219-R388 WeakPolarHBondContact CA-O 3.22Å; L219-R388 WeakPolarHBondContact CD2-O 3.43Å; D221-R388 HydrophobicContact CB-CB 3.94Å; D221-R388 HydrophobicContact CB-CG 3.99Å; T222-R388 PolarHBondContact OG1-N 2.94Å; F364-R388 VanDerWaalsContact CD1-NH1 3.29Å; F386-R388 HydrophobicContact CD1-CG 4.39Å; F386-R388 VanDerWaalsContact CE1-CD 3.46Å; F386-R388 HydrophobicContact CE1-CG 3.96Å; F386-R388 HydrophobicContact CZ-CG 4.3Å
389G89.9Confident89.3Confident0 Ų037.5 Ų37.50%019%0.194CC..EExtended strand (participates in β ladder)trans-171.1153179.800000112.1G216 N391G216-G389 CarbonylContact C-O 3.4Å; G216-G389 PolarHBondContact N-O 3.34Å; G216-G389 PolarHBondContact O-N 3.49Å; G389-N391 VanDerWaalsContact C-N 3.28Å; G389-N391 PolarHBondContact O-N 3.31Å
390G88.6Confident90.1Very high58 Ų5837.3 Ų37.360%0.59819%0.189SC*.SBendtrans-67.4-26.5-175.400000114
391N89.7Confident91Very high54 Ų5434.3 Ų34.329%0.28917%0.168SC..SBendtrans-138.3164.6177.867.48.7000110.8G389 M393 I394 I395G389-N391 VanDerWaalsContact C-N 3.28Å; G389-N391 PolarHBondContact O-N 3.31Å; N391-M393 VanDerWaalsContact C-N 3.32Å; N391-M393 WeakPolarHBondContact ND2-CE 3.36Å; N391-M393 PolarHBondContact O-N 3.48Å; N391-I394 WeakPolarHBondContact OD1-CB 3.33Å; N391-I394 VanDerWaalsContact OD1-CD1 3.25Å; N391-I394 WeakPolarHBondContact OD1-CD1 3.39Å; N391-I394 WeakPolarHBondContact OD1-CG1 3.38Å; N391-I394 PolarHBondContact OD1-N 2.92Å; N391-I395 WeakPolarHBondContact O-CG1 3.38Å; N391-I395 PolarHBondContact O-N 3.42Å
392K90.4Very high91.5Very high134 Ų13428 Ų2858%0.58314%0.144SC*.Hα-helixtrans-61.7-39.6177.8-170.9-175.2179.7-166.30111.8V215 I394 I395 E396V215-K392 HydrophobicContact CG2-CB 4.43Å; K392-I394 PolarHBondContact O-N 3Å; K392-I395 PolarHBondContact O-N 2.74Å; K392-I395 VanDerWaalsContact O-N 3.12Å; K392-E396 HydrophobicContact CG-CG 4.27Å; K392-E396 WeakPolarHBondContact O-CG 3.4Å; K392-E396 PolarHBondContact O-N 3.38Å
393M90.6Very high91.8Very high76 Ų7631.4 Ų31.437%0.37416%0.16SC..Hα-helixtrans-58.7-47.1-178.5-66177.5-70.600112.5V68 V70 N391 I395 E396 E397V68-M393 HydrophobicContact CB-SD 4.44Å; V68-M393 HydrophobicContact CG1-SD 4.09Å; V70-M393 HydrophobicContact CG2-SD 4.06Å; N391-M393 VanDerWaalsContact C-N 3.32Å; N391-M393 WeakPolarHBondContact ND2-CE 3.36Å; N391-M393 PolarHBondContact O-N 3.48Å; M393-I395 VanDerWaalsContact C-N 3.29Å; M393-I395 PolarHBondContact O-N 3.21Å; M393-E396 PolarHBondContact O-N 3.29Å; M393-E397 WeakPolarHBondContact O-CB 3.23Å; M393-E397 PolarHBondContact O-N 3.38Å
394I91.4Very high91.8Very high53 Ų5331.7 Ų31.727%0.27216%0.161SC..Hα-helixtrans-64.2-36.4177.1-71.1166.4000110.9L219 N391 K392 A398L219-I394 HydrophobicContact CD1-CG2 3.65Å; L219-I394 HydrophobicContact CD2-CG2 3.58Å; L219-I394 HydrophobicContact CG-CG2 3.71Å; N391-I394 WeakPolarHBondContact OD1-CB 3.33Å; N391-I394 VanDerWaalsContact OD1-CD1 3.25Å; N391-I394 WeakPolarHBondContact OD1-CD1 3.39Å; N391-I394 WeakPolarHBondContact OD1-CG1 3.38Å; N391-I394 PolarHBondContact OD1-N 2.92Å; K392-I394 PolarHBondContact O-N 3Å; I394-A398 WeakPolarHBondContact O-CB 3.27Å; I394-A398 PolarHBondContact O-N 2.68Å
395I92.4Very high91.8Very high3 Ų331.6 Ų31.62%0.01516%0.161CC..Hα-helixtrans-68.3-47.6179.3-70.7164.4000110.9K214 V215 I387 N391 K392 M393 E397 A398 K399K214-I395 VanDerWaalsContact O-CD1 3.24Å; K214-I395 WeakPolarHBondContact O-CD1 3.41Å; V215-I395 VanDerWaalsContact CA-CD1 3.44Å; V215-I395 HydrophobicContact CB-CD1 4.21Å; V215-I395 HydrophobicContact CG2-CD1 3.87Å; I387-I395 HydrophobicContact CG2-CG2 4.48Å; N391-I395 WeakPolarHBondContact O-CG1 3.38Å; N391-I395 PolarHBondContact O-N 3.42Å; K392-I395 PolarHBondContact O-N 2.74Å; K392-I395 VanDerWaalsContact O-N 3.12Å; M393-I395 VanDerWaalsContact C-N 3.29Å; M393-I395 PolarHBondContact O-N 3.21Å; I395-E397 VanDerWaalsContact C-N 3.28Å; I395-E397 PolarHBondContact O-N 3.41Å; I395-A398 PolarHBondContact O-N 3.14Å; I395-K399 HydrophobicContact CG2-CD 4.46Å; I395-K399 WeakPolarHBondContact O-CG 3.25Å; I395-K399 PolarHBondContact O-N 3.05Å
396E91.6Very high91.8Very high65 Ų6531.8 Ų31.830%0.30416%0.162SC..Hα-helixtrans-63-38.4177.7-65.5-52.3127.600111K392 M393 K399 R400K392-E396 HydrophobicContact CG-CG 4.27Å; K392-E396 WeakPolarHBondContact O-CG 3.4Å; K392-E396 PolarHBondContact O-N 3.38Å; M393-E396 PolarHBondContact O-N 3.29Å; E396-K399 WeakPolarHBondContact O-CB 3.48Å; E396-K399 PolarHBondContact O-N 3.3Å; E396-K399 IonicContact OE1-NZ 3.26Å; E396-K399 PolarHBondContact OE1-NZ 3.45Å; E396-K399 IonicContact OE2-NZ 3.47Å; E396-R400 WeakPolarHBondContact O-CG 3.49Å; E396-R400 PolarHBondContact O-N 3.14Å; E396-R400 VanDerWaalsContact O-N 3.15Å
397E90.9Very high91.8Very high2 Ų231.4 Ų31.41%0.00916%0.161CC..Hα-helixtrans-71.6-36.2175.7-171.958-170.600113.3T71 N72 V177 M393 I395 K399 R400 S401T71-E397 VanDerWaalsContact CA-OE2 3.29Å; T71-E397 WeakPolarHBondContact CA-OE2 3.49Å; T71-E397 WeakPolarHBondContact CB-OE2 3.4Å; T71-E397 PolarHBondContact OG1-OE1 3.49Å; T71-E397 PolarHBondContact OG1-OE2 2.95Å; N72-E397 PolarHBondContact N-OE1 2.88Å; N72-E397 VanDerWaalsContact N-OE1 3.16Å; V177-E397 HydrophobicContact CB-CG 4.14Å; V177-E397 HydrophobicContact CG2-CG 3.75Å; M393-E397 WeakPolarHBondContact O-CB 3.23Å; M393-E397 PolarHBondContact O-N 3.38Å; I395-E397 VanDerWaalsContact C-N 3.28Å; I395-E397 PolarHBondContact O-N 3.41Å; E397-K399 VanDerWaalsContact C-N 3.34Å; E397-R400 PolarHBondContact O-N 3.31Å; E397-R400 IonicContact OE2-NH1 3.52Å; E397-R400 PolarHBondContact OE2-NH1 3.33Å; E397-R400 VanDerWaalsContact OE2-NH1 3.12Å; E397-S401 VanDerWaalsContact O-CB 3.32Å; E397-S401 WeakPolarHBondContact O-CB 3.42Å; E397-S401 PolarHBondContact O-N 2.98Å; E397-S401 PolarHBondContact O-OG 3.02Å
398A92.9Very high91.7Very high1 Ų131.5 Ų31.51%0.00816%0.161CC..Hα-helixtrans-65.9-37.1173.400000111.7V178 M185 L219 I387 I394 I395 S401 L402V178-A398 HydrophobicContact CG2-CB 4.37Å; M185-A398 HydrophobicContact CE-CB 4.41Å; L219-A398 HydrophobicContact CD2-CB 3.92Å; I387-A398 HydrophobicContact CG2-CB 3.79Å; I394-A398 WeakPolarHBondContact O-CB 3.27Å; I394-A398 PolarHBondContact O-N 2.68Å; I395-A398 PolarHBondContact O-N 3.14Å; A398-S401 PolarHBondContact O-N 3.46Å; A398-L402 WeakPolarHBondContact O-CB 3.5Å; A398-L402 WeakPolarHBondContact O-CG 3.29Å; A398-L402 PolarHBondContact O-N 2.93Å
399K92.9Very high91.8Very high50 Ų5030.2 Ų30.222%0.21716%0.156CC..Hα-helixtrans-58.9-50.2172.8-76.7175.2-179.11710111.1V211 I387 I395 E396 E397 L402 H403V211-K399 HydrophobicContact CG1-CB 4.41Å; V211-K399 HydrophobicContact CG1-CG 3.89Å; I387-K399 HydrophobicContact CD1-CB 4.19Å; I387-K399 HydrophobicContact CD1-CG 3.54Å; I395-K399 HydrophobicContact CG2-CD 4.46Å; I395-K399 WeakPolarHBondContact O-CG 3.25Å; I395-K399 PolarHBondContact O-N 3.05Å; E396-K399 WeakPolarHBondContact O-CB 3.48Å; E396-K399 PolarHBondContact O-N 3.3Å; E396-K399 IonicContact OE1-NZ 3.26Å; E396-K399 PolarHBondContact OE1-NZ 3.45Å; E396-K399 IonicContact OE2-NZ 3.47Å; E397-K399 VanDerWaalsContact C-N 3.34Å; K399-L402 PolarHBondContact O-N 3.36Å; K399-H403 PolarHBondContact O-N 2.91Å
400R90.8Very high92Very high52 Ų5231.2 Ų31.220%0.19616%0.16CC..Hα-helixtrans-61.2-49.5177.4-67.5-178.9-164.1121.7-0.3111.6E396 E397 L402 H403 D404E396-R400 WeakPolarHBondContact O-CG 3.49Å; E396-R400 PolarHBondContact O-N 3.14Å; E396-R400 VanDerWaalsContact O-N 3.15Å; E397-R400 PolarHBondContact O-N 3.31Å; E397-R400 IonicContact OE2-NH1 3.52Å; E397-R400 PolarHBondContact OE2-NH1 3.33Å; E397-R400 VanDerWaalsContact OE2-NH1 3.12Å; R400-L402 VanDerWaalsContact C-N 3.26Å; R400-L402 PolarHBondContact O-N 3.49Å; R400-H403 WeakPolarHBondContact O-CA 3.25Å; R400-H403 VanDerWaalsContact O-CB 3.29Å; R400-H403 WeakPolarHBondContact O-CB 3.3Å; R400-H403 PolarHBondContact O-N 3.45Å; R400-D404 VanDerWaalsContact O-CG 3.26Å; R400-D404 PolarHBondContact O-N 3.05Å
401S91.8Very high92.1Very high0 Ų028.6 Ų28.60%013%0.132CC..Hα-helixtrans-57.2-40.6178.9-61.90000112.7L173 K176 V178 E397 A398 A405L173-S401 WeakPolarHBondContact CD2-O 3.42Å; K176-S401 WeakPolarHBondContact CB-OG 3.27Å; K176-S401 VanDerWaalsContact CD-OG 3.27Å; K176-S401 WeakPolarHBondContact CD-OG 3.36Å; V178-S401 WeakPolarHBondContact CG2-OG 3.47Å; E397-S401 VanDerWaalsContact O-CB 3.32Å; E397-S401 WeakPolarHBondContact O-CB 3.42Å; E397-S401 PolarHBondContact O-N 2.98Å; E397-S401 PolarHBondContact O-OG 3.02Å; A398-S401 PolarHBondContact O-N 3.46Å; S401-A405 PolarHBondContact O-N 3.35Å
402L92.8Very high92.2Very high0 Ų026 Ų260%012%0.118CC..Hα-helixtrans-68.3-40.5174.8-82.8164.6000111.9M185 A189 I385 I387 A398 K399 R400 D404 A405 L406M185-L402 HydrophobicContact CB-CD2 4.13Å; M185-L402 HydrophobicContact SD-CD1 3.72Å; M185-L402 HydrophobicContact SD-CD2 3.93Å; M185-L402 HydrophobicContact SD-CG 3.77Å; A189-L402 HydrophobicContact CB-CD2 4.36Å; I385-L402 HydrophobicContact CG2-CD1 3.9Å; I387-L402 HydrophobicContact CD1-CD1 3.38Å; I387-L402 HydrophobicContact CG1-CD1 3.66Å; A398-L402 WeakPolarHBondContact O-CB 3.5Å; A398-L402 WeakPolarHBondContact O-CG 3.29Å; A398-L402 PolarHBondContact O-N 2.93Å; K399-L402 PolarHBondContact O-N 3.36Å; R400-L402 VanDerWaalsContact C-N 3.26Å; R400-L402 PolarHBondContact O-N 3.49Å; L402-D404 VanDerWaalsContact C-N 3.29Å; L402-D404 PolarHBondContact O-N 3.19Å; L402-A405 PolarHBondContact O-N 3.23Å; L402-L406 WeakPolarHBondContact O-CG 3.3Å; L402-L406 PolarHBondContact O-N 3.49Å
403H92.8Very high92.2Very high73 Ų7320.1 Ų20.134%0.3389%0.093SC..Hα-helixtrans-54.7-47.6174.2-176.568.1000111.3K399 R400 A405 L406 C407K399-H403 PolarHBondContact O-N 2.91Å; R400-H403 WeakPolarHBondContact O-CA 3.25Å; R400-H403 VanDerWaalsContact O-CB 3.29Å; R400-H403 WeakPolarHBondContact O-CB 3.3Å; R400-H403 PolarHBondContact O-N 3.45Å; H403-A405 VanDerWaalsContact C-N 3.33Å; H403-A405 PolarHBondContact O-N 2.76Å; H403-L406 WeakPolarHBondContact O-CB 3.45Å; H403-L406 PolarHBondContact O-N 2.97Å; H403-L406 VanDerWaalsContact O-N 3.1Å; H403-C407 PolarHBondContact NE2-SG 3.02Å; H403-C407 PolarHBondContact O-N 3.35Å; H403-C407 PolarHBondContact O-SG 3.38Å; H403-C407 VanDerWaalsContact O-SG 3.37Å
404D92.6Very high92.1Very high6 Ų621.5 Ų21.53%0.0329%0.094CC..Hα-helixtrans-64.5-39.3-179.1-55.4-13000111.6G103 T172 K176 R400 L402 C407 V408G103-D404 VanDerWaalsContact O-CA 3.32Å; G103-D404 WeakPolarHBondContact O-CA 3.39Å; G103-D404 VanDerWaalsContact O-CB 3.25Å; G103-D404 WeakPolarHBondContact O-CB 3.36Å; T172-D404 HydrophobicContact CG2-CB 4.09Å; K176-D404 IonicContact NZ-OD2 2.89Å; K176-D404 PolarHBondContact NZ-OD2 3.33Å; R400-D404 VanDerWaalsContact O-CG 3.26Å; R400-D404 PolarHBondContact O-N 3.05Å; L402-D404 VanDerWaalsContact C-N 3.29Å; L402-D404 PolarHBondContact O-N 3.19Å; D404-C407 PolarHBondContact O-N 3.06Å; D404-V408 WeakPolarHBondContact O-CG2 3.34Å; D404-V408 PolarHBondContact O-N 3.4Å
405A93.2Very high91.9Very high0 Ų020.1 Ų20.10%09%0.087CC..Hα-helixtrans-63.6-42.4173.500000112L173 A189 S401 L402 H403 C407 V408 I409L173-A405 HydrophobicContact CD1-CB 4.16Å; L173-A405 HydrophobicContact CD2-CB 4.02Å; L173-A405 HydrophobicContact CG-CB 4.01Å; A189-A405 HydrophobicContact CB-CB 4.04Å; S401-A405 PolarHBondContact O-N 3.35Å; L402-A405 PolarHBondContact O-N 3.23Å; H403-A405 VanDerWaalsContact C-N 3.33Å; H403-A405 PolarHBondContact O-N 2.76Å; A405-C407 VanDerWaalsContact C-N 3.34Å; A405-V408 PolarHBondContact O-N 3.03Å; A405-I409 VanDerWaalsContact O-CD1 3.25Å; A405-I409 WeakPolarHBondContact O-CD1 3.24Å; A405-I409 VanDerWaalsContact O-CG1 3.23Å; A405-I409 WeakPolarHBondContact O-CG1 3.32Å; A405-I409 PolarHBondContact O-N 3.46Å; A405-I409 VanDerWaalsContact O-N 3.07Å
406L94.2Very high91.8Very high4 Ų422.6 Ų22.62%0.02110%0.101CC..Hα-helixtrans-61.1-43.1175.6-67.4171.4000111.1A189 A192 V193 F206 I209 I385 L402 H403 I409 R410A189-L406 HydrophobicContact CB-CD2 3.98Å; A189-L406 HydrophobicContact CB-CG 4.44Å; A192-L406 HydrophobicContact CB-CD2 4.13Å; V193-L406 HydrophobicContact CG2-CB 4.3Å; V193-L406 HydrophobicContact CG2-CD2 3.47Å; V193-L406 VanDerWaalsContact CG2-CD2 3.47Å; F206-L406 HydrophobicContact CE1-CB 3.8Å; F206-L406 HydrophobicContact CZ-CB 4.34Å; I209-L406 HydrophobicContact CD1-CD2 4.25Å; I209-L406 HydrophobicContact CG2-CD1 4.05Å; I385-L406 HydrophobicContact CD1-CD1 4.08Å; I385-L406 HydrophobicContact CD1-CD2 4.18Å; L402-L406 WeakPolarHBondContact O-CG 3.3Å; L402-L406 PolarHBondContact O-N 3.49Å; H403-L406 WeakPolarHBondContact O-CB 3.45Å; H403-L406 PolarHBondContact O-N 2.97Å; H403-L406 VanDerWaalsContact O-N 3.1Å; L406-I409 PolarHBondContact O-N 2.98Å; L406-R410 PolarHBondContact O-N 3.39Å
407C93.6Very high91.9Very high2 Ų223.3 Ų23.31%0.01410%0.1CC..Hα-helixtrans-62.1-43.7176.5-73.30000112.7I102 F206 H403 D404 A405 I409 R410 N411I102-C407 WeakPolarHBondContact O-CB 3.45Å; F206-C407 HydrophobicContact CZ-CB 4.46Å; H403-C407 PolarHBondContact NE2-SG 3.02Å; H403-C407 PolarHBondContact O-N 3.35Å; H403-C407 PolarHBondContact O-SG 3.38Å; H403-C407 VanDerWaalsContact O-SG 3.37Å; D404-C407 PolarHBondContact O-N 3.06Å; A405-C407 VanDerWaalsContact C-N 3.34Å; C407-I409 PolarHBondContact O-N 3.35Å; C407-R410 WeakPolarHBondContact O-CB 3.46Å; C407-R410 PolarHBondContact O-N 2.97Å; C407-N411 PolarHBondContact O-N 3.38Å; C407-N411 PolarHBondContact O-ND2 3.47Å; C407-N411 PolarHBondContact O-OD1 3.32Å
408V93.1Very high92Very high1 Ų123.3 Ų23.31%0.00610%0.101CC..Hα-helixtrans-63.2-41.5176167.20000112D104 T168 T172 D404 A405 N411 L412 T509D104-V408 HydrophobicContact CB-CG2 3.64Å; T168-V408 HydrophobicContact CG2-CG1 3.63Å; T172-V408 HydrophobicContact CG2-CG2 4.08Å; D404-V408 WeakPolarHBondContact O-CG2 3.34Å; D404-V408 PolarHBondContact O-N 3.4Å; A405-V408 PolarHBondContact O-N 3.03Å; V408-N411 WeakPolarHBondContact O-CB 3.44Å; V408-N411 PolarHBondContact O-N 2.94Å; V408-L412 PolarHBondContact O-N 3.01Å; V408-L412 VanDerWaalsContact O-N 3.08Å; V408-T509 HydrophobicContact CG1-CG2 3.94Å
409I92.9Very high92.1Very high0 Ų023.3 Ų23.30%010%0.1CC..Hα-helixtrans-68.4-39.8177.4-60.8155.3000110.9A169 A189 V190 V193 A405 L406 C407 N411 L412 I413A169-I409 HydrophobicContact CB-CD1 4.05Å; A169-I409 HydrophobicContact CB-CG1 4.23Å; A189-I409 HydrophobicContact CB-CD1 3.71Å; V190-I409 HydrophobicContact CB-CD1 4.24Å; V190-I409 HydrophobicContact CG2-CD1 3.48Å; V190-I409 VanDerWaalsContact CG2-CD1 3.48Å; V190-I409 HydrophobicContact CG2-CG1 4.02Å; V193-I409 HydrophobicContact CB-CB 4.46Å; V193-I409 HydrophobicContact CB-CG2 3.84Å; V193-I409 HydrophobicContact CG1-CB 4.49Å; V193-I409 HydrophobicContact CG1-CG2 3.76Å; V193-I409 HydrophobicContact CG2-CB 4.2Å; V193-I409 HydrophobicContact CG2-CG2 4.14Å; A405-I409 VanDerWaalsContact O-CD1 3.25Å; A405-I409 WeakPolarHBondContact O-CD1 3.24Å; A405-I409 VanDerWaalsContact O-CG1 3.23Å; A405-I409 WeakPolarHBondContact O-CG1 3.32Å; A405-I409 PolarHBondContact O-N 3.46Å; A405-I409 VanDerWaalsContact O-N 3.07Å; L406-I409 PolarHBondContact O-N 2.98Å; C407-I409 PolarHBondContact O-N 3.35Å; I409-N411 VanDerWaalsContact C-N 3.27Å; I409-N411 PolarHBondContact O-N 3.12Å; I409-L412 WeakPolarHBondContact O-CB 3.36Å; I409-L412 PolarHBondContact O-N 3.35Å; I409-I413 HydrophobicContact CG2-CD1 4.4Å; I409-I413 WeakPolarHBondContact O-CG1 3.46Å; I409-I413 PolarHBondContact O-N 3.44Å; I409-I413 VanDerWaalsContact O-N 3.09Å
410R92.5Very high92.2Very high21 Ų2122.1 Ų22.18%0.07910%0.095CC..Hα-helixtrans-55.7-44.6170.4170.9-16470.4175.13.8110.9E101 V204 F206 L406 C407 L412 I413 R414E101-R410 PolarHBondContact O-NH2 2.84Å; V204-R410 HydrophobicContact CB-CB 4.12Å; V204-R410 HydrophobicContact CB-CG 3.91Å; V204-R410 HydrophobicContact CG2-CB 4.04Å; V204-R410 HydrophobicContact CG2-CG 4.02Å; F206-R410 HydrophobicContact CZ-CB 3.89Å; F206-R410 HydrophobicContact CZ-CG 4.32Å; L406-R410 PolarHBondContact O-N 3.39Å; C407-R410 WeakPolarHBondContact O-CB 3.46Å; C407-R410 PolarHBondContact O-N 2.97Å; R410-L412 VanDerWaalsContact C-N 3.31Å; R410-L412 PolarHBondContact O-N 2.95Å; R410-I413 PolarHBondContact O-N 2.96Å; R410-I413 VanDerWaalsContact O-N 3.14Å; R410-R414 PolarHBondContact O-N 3.32Å
411N92.2Very high92.3Very high3 Ų319.6 Ų19.62%0.0169%0.085CC..Hα-helixtrans-63.4-38.1-179.2-61.2-20.7000111.5I102 C407 V408 I409 I413 R414 D415 T509I102-N411 WeakPolarHBondContact CG2-ND2 3.22Å; I102-N411 PolarHBondContact O-ND2 3.33Å; C407-N411 PolarHBondContact O-N 3.38Å; C407-N411 PolarHBondContact O-ND2 3.47Å; C407-N411 PolarHBondContact O-OD1 3.32Å; V408-N411 WeakPolarHBondContact O-CB 3.44Å; V408-N411 PolarHBondContact O-N 2.94Å; I409-N411 VanDerWaalsContact C-N 3.27Å; I409-N411 PolarHBondContact O-N 3.12Å; N411-I413 VanDerWaalsContact C-N 3.34Å; N411-I413 PolarHBondContact O-N 3.43Å; N411-R414 PolarHBondContact O-N 2.93Å; N411-D415 PolarHBondContact O-N 2.78Å; N411-D415 VanDerWaalsContact O-O 3.12Å; N411-T509 HydrophobicContact CB-CG2 4.15Å
412L91.1Very high92.3Very high0 Ų020.1 Ų20.10%09%0.09CC..Hα-helixtrans-65-33.8173.7-70.7174.9000113.4L165 T168 V408 I409 R410 D415 N416 V418 T509L165-L412 HydrophobicContact CD2-CB 4.11Å; L165-L412 HydrophobicContact CD2-CD1 3.61Å; T168-L412 HydrophobicContact CG2-CD1 3.9Å; V408-L412 PolarHBondContact O-N 3.01Å; V408-L412 VanDerWaalsContact O-N 3.08Å; I409-L412 WeakPolarHBondContact O-CB 3.36Å; I409-L412 PolarHBondContact O-N 3.35Å; R410-L412 VanDerWaalsContact C-N 3.31Å; R410-L412 PolarHBondContact O-N 2.95Å; L412-D415 CarbonylContact C-O 3.56Å; L412-D415 WeakPolarHBondContact CA-O 3.49Å; L412-D415 CarbonylContact O-C 3.59Å; L412-D415 VanDerWaalsContact O-C 3.29Å; L412-N416 WeakPolarHBondContact O-CA 3.34Å; L412-N416 PolarHBondContact O-N 3.24Å; L412-V418 HydrophobicContact CD2-CG1 3.47Å; L412-V418 VanDerWaalsContact CD2-CG1 3.47Å; L412-T509 HydrophobicContact CD2-CG2 3.82Å; L412-T509 HydrophobicContact CG-CG2 3.89Å
413I89.5Confident92.3Very high10 Ų1020.1 Ų20.15%0.0519%0.091CC..Hα-helixtrans-69.9-38.5176-69.3170.1000110.7V157 V193 A197 R202 V204 I409 R410 N411V157-I413 HydrophobicContact CG1-CG1 4.39Å; V193-I413 HydrophobicContact CG1-CD1 3.37Å; A197-I413 HydrophobicContact CB-CD1 3.85Å; R202-I413 HydrophobicContact CB-CG2 4.34Å; V204-I413 HydrophobicContact CG2-CD1 3.8Å; V204-I413 HydrophobicContact CG2-CG2 4.45Å; I409-I413 HydrophobicContact CG2-CD1 4.4Å; I409-I413 WeakPolarHBondContact O-CG1 3.46Å; I409-I413 PolarHBondContact O-N 3.44Å; I409-I413 VanDerWaalsContact O-N 3.09Å; R410-I413 PolarHBondContact O-N 2.96Å; R410-I413 VanDerWaalsContact O-N 3.14Å; N411-I413 VanDerWaalsContact C-N 3.34Å; N411-I413 PolarHBondContact O-N 3.43Å
414R88.3Confident92.5Very high106 Ų10616.7 Ų16.740%0.48%0.075SC..Hα-helixtrans-68.3-50.1176-73.1179.9173.2-176.5-1111.8R202 D203 R410 N411 I511R202-R414 VanDerWaalsContact O-CG 3.3Å; R202-R414 WeakPolarHBondContact O-CG 3.42Å; D203-R414 IonicContact OD1-CZ 3.14Å; D203-R414 IonicContact OD1-NE 2.67Å; D203-R414 IonicContact OD1-NH2 2.65Å; D203-R414 PolarHBondContact OD1-NH2 3.48Å; R410-R414 PolarHBondContact O-N 3.32Å; N411-R414 PolarHBondContact O-N 2.93Å; R414-I511 HydrophobicContact CB-CD1 4.48Å
415D89.1Confident92.6Very high24 Ų2416.5 Ų16.513%0.1287%0.074CC..  trans-136.4118.4176.4-173.8-3000110.1N411 L412 R417 I511N411-D415 PolarHBondContact O-N 2.78Å; N411-D415 VanDerWaalsContact O-O 3.12Å; L412-D415 CarbonylContact C-O 3.56Å; L412-D415 WeakPolarHBondContact CA-O 3.49Å; L412-D415 CarbonylContact O-C 3.59Å; L412-D415 VanDerWaalsContact O-C 3.29Å; D415-R417 PolarHBondContact O-N 3.2Å; D415-R417 VanDerWaalsContact O-N 3.16Å; D415-R417 WeakPolarHBondContact OD1-CB 3.47Å; D415-R417 WeakPolarHBondContact OD1-CG 3.35Å; D415-R417 IonicContact OD1-CZ 3.46Å; D415-R417 PolarHBondContact OD1-N 3Å; D415-R417 IonicContact OD1-NE 2.92Å; D415-R417 PolarHBondContact OD1-NE 3.13Å; D415-R417 IonicContact OD1-NH2 3.07Å; D415-R417 IonicContact OD2-CZ 3.95Å; D415-R417 VanDerWaalsContact OD2-CZ 3.31Å; D415-R417 IonicContact OD2-NE 3.93Å; D415-R417 PolarHBondContact OD2-NE 3.06Å; D415-R417 VanDerWaalsContact OD2-NE 3.13Å; D415-R417 IonicContact OD2-NH2 3Å; D415-R417 PolarHBondContact OD2-NH2 3.27Å; D415-I511 HydrophobicContact CB-CD1 3.32Å; D415-I511 HydrophobicContact CB-CG1 3.71Å
416N89.9Confident92.7Very high55 Ų5517.1 Ų17.129%0.2948%0.077SC..  trans-82.410.9-172.371.6-41.2000113.6V155 V157 L412V155-N416 PolarHBondContact N-O 3.29Å; V155-N416 WeakPolarHBondContact O-CB 3.39Å; V155-N416 PolarHBondContact O-ND2 3.43Å; V157-N416 HydrophobicContact CG2-CB 4.01Å; L412-N416 WeakPolarHBondContact O-CA 3.34Å; L412-N416 PolarHBondContact O-N 3.24Å
417R92.9Very high92.8Very high79 Ų7917 Ų1730%0.2988%0.076SC..EExtended strand (participates in β ladder)trans-88.8137.1179.7-66.3178.3-67.6165.34.9111.8D149 D153 D415 L510D149-R417 IonicContact OD1-CZ 2.79Å; D149-R417 IonicContact OD1-NH1 3.25Å; D149-R417 PolarHBondContact OD1-NH1 3.34Å; D149-R417 IonicContact OD1-NH2 3.92Å; D153-R417 WeakPolarHBondContact O-CA 3.45Å; D415-R417 PolarHBondContact O-N 3.2Å; D415-R417 VanDerWaalsContact O-N 3.16Å; D415-R417 WeakPolarHBondContact OD1-CB 3.47Å; D415-R417 WeakPolarHBondContact OD1-CG 3.35Å; D415-R417 IonicContact OD1-CZ 3.46Å; D415-R417 PolarHBondContact OD1-N 3Å; D415-R417 IonicContact OD1-NE 2.92Å; D415-R417 PolarHBondContact OD1-NE 3.13Å; D415-R417 IonicContact OD1-NH2 3.07Å; D415-R417 IonicContact OD2-CZ 3.95Å; D415-R417 VanDerWaalsContact OD2-CZ 3.31Å; D415-R417 IonicContact OD2-NE 3.93Å; D415-R417 PolarHBondContact OD2-NE 3.06Å; D415-R417 VanDerWaalsContact OD2-NE 3.13Å; D415-R417 IonicContact OD2-NH2 3Å; D415-R417 PolarHBondContact OD2-NH2 3.27Å; R417-L510 HydrophobicContact CB-CB 3.95Å; R417-L510 HydrophobicContact CB-CD2 3.65Å; R417-L510 HydrophobicContact CB-CG 4.46Å; R417-L510 HydrophobicContact CG-CD2 4.39Å; R417-L510 WeakPolarHBondContact O-CB 3.28Å; R417-L510 PolarHBondContact O-N 3.13Å; R417-L510 VanDerWaalsContact O-N 3.12Å
418V93.8Very high92.9Very high2 Ų217.3 Ų17.31%0.0128%0.079CC..EExtended strand (participates in β ladder)trans-128157.7-179-580000111.4S152 D153 V155 L412 I507 E508S152-V418 WeakPolarHBondContact CA-O 3.3Å; D153-V418 HydrophobicContact CB-CG2 4.3Å; D153-V418 PolarHBondContact N-O 3.43Å; D153-V418 PolarHBondContact O-N 2.85Å; V155-V418 HydrophobicContact CB-CG1 4.43Å; V155-V418 HydrophobicContact CG2-CB 4.22Å; V155-V418 HydrophobicContact CG2-CG1 3.61Å; V155-V418 HydrophobicContact CG2-CG2 3.55Å; L412-V418 HydrophobicContact CD2-CG1 3.47Å; L412-V418 VanDerWaalsContact CD2-CG1 3.47Å; V418-I507 HydrophobicContact CB-CG2 3.48Å; V418-I507 VanDerWaalsContact CB-CG2 3.48Å; V418-I507 HydrophobicContact CG1-CG2 3.74Å; V418-I507 HydrophobicContact CG2-CG2 3.76Å; V418-E508 WeakPolarHBondContact CA-O 3.17Å; V418-E508 WeakPolarHBondContact CB-O 3.23Å
419V94.5Very high93.1Very high1 Ų117.2 Ų17.21%0.0068%0.078CC..EExtended strand (participates in β ladder)trans-129.2159.2172.7-66.80000109.2L148 A425 E508 L510 K513L148-V419 HydrophobicContact CD2-CG1 4.47Å; V419-A425 HydrophobicContact CG2-CB 4.48Å; V419-E508 HydrophobicContact CG2-CB 4.43Å; V419-E508 PolarHBondContact N-O 3.39Å; V419-E508 PolarHBondContact O-N 2.92Å; V419-E508 VanDerWaalsContact O-O 3.14Å; V419-L510 HydrophobicContact CG1-CB 4.44Å; V419-L510 HydrophobicContact CG1-CD1 3.71Å; V419-K513 HydrophobicContact CG2-CB 4.3Å; V419-K513 HydrophobicContact CG2-CG 3.68Å
420Y94.5Very high93.2Very high25 Ų2517.2 Ų17.210%0.0988%0.078CC..EExtended strand (participates in β ladder)trans-85126.8-179.8-62.8-69.9000110.2D153 A425 A488 M501 K502D153-Y420 WeakPolarHBondContact OD2-CE2 3.27Å; D153-Y420 PolarHBondContact OD2-OH 3.03Å; Y420-A425 PolarHBondContact O-N 3.27Å; Y420-A488 HydrophobicContact CD1-CB 4.43Å; Y420-A488 HydrophobicContact CD2-CB 3.52Å; Y420-A488 HydrophobicContact CE2-CB 4.09Å; Y420-A488 HydrophobicContact CG-CB 3.73Å; Y420-M501 HydrophobicContact CD1-CB 4.48Å; Y420-K502 HydrophobicContact CD1-CB 3.91Å; Y420-K502 VanDerWaalsContact CE1-CA 3.46Å; Y420-K502 HydrophobicContact CE1-CB 3.43Å; Y420-K502 VanDerWaalsContact CE1-CB 3.43Å; Y420-K502 HydrophobicContact CE1-CD 4.12Å; Y420-K502 HydrophobicContact CE1-CG 3.56Å; Y420-K502 HydrophobicContact CE2-CB 4.44Å; Y420-K502 HydrophobicContact CE2-CD 4.26Å; Y420-K502 WeakPolarHBondContact OH-CD 3.42Å; Y420-K502 WeakPolarHBondContact OH-CE 3.28Å; Y420-K502 WeakPolarHBondContact OH-CG 2.9Å; Y420-K502 PolarHBondContact OH-NZ 3.17Å
421G93.5Very high93.3Very high0 Ų017.4 Ų17.40%08%0.081CC..THydrogen-bonded Turntrans-79.3-146.2-176.600000112.9G423 A424 M501 V506 E508G421-G423 PolarHBondContact O-N 3.42Å; G421-A424 VanDerWaalsContact O-CB 3.23Å; G421-A424 WeakPolarHBondContact O-CB 2.85Å; G421-A424 PolarHBondContact O-N 2.79Å; G421-M501 WeakPolarHBondContact O-CG 3.48Å; G421-V506 PolarHBondContact N-O 3.22Å; G421-V506 VanDerWaalsContact N-O 3.12Å; G421-E508 WeakPolarHBondContact CA-OE1 3.28Å
422G91.8Very high93.5Very high10 Ų1017.9 Ų17.910%0.1039%0.085CC..THydrogen-bonded Turntrans62.624.6176.900000113.9A424 I491G422-A424 VanDerWaalsContact C-N 3.25Å; G422-A424 PolarHBondContact O-N 3.28Å; G422-I491 PolarHBondContact O-N 3.48Å
423G93.4Very high93.7Very high1 Ų117.9 Ų17.91%0.019%0.085CC..THydrogen-bonded Turntrans78.4-0.5-174.600000114.8G421 E426 I427G421-G423 PolarHBondContact O-N 3.42Å; G423-E426 VanDerWaalsContact CA-OE2 3.24Å; G423-E426 WeakPolarHBondContact CA-OE2 3.16Å; G423-E426 PolarHBondContact O-N 2.84Å; G423-I427 VanDerWaalsContact O-CG1 3.28Å; G423-I427 WeakPolarHBondContact O-CG1 3.47Å; G423-I427 PolarHBondContact O-N 3.31Å; G423-I427 VanDerWaalsContact O-N 3.08Å
424A95.2Very high94Very high0 Ų018.5 Ų18.50%09%0.09CC..Hα-helixtrans-65.2-43.8-175.700000112G421 G422 E426 I427 S428 Q481 P487 L489 M501G421-A424 VanDerWaalsContact O-CB 3.23Å; G421-A424 WeakPolarHBondContact O-CB 2.85Å; G421-A424 PolarHBondContact O-N 2.79Å; G422-A424 VanDerWaalsContact C-N 3.25Å; G422-A424 PolarHBondContact O-N 3.28Å; A424-E426 PolarHBondContact O-N 2.99Å; A424-I427 PolarHBondContact O-N 2.7Å; A424-S428 WeakPolarHBondContact O-CB 3.36Å; A424-S428 PolarHBondContact O-N 2.95Å; A424-Q481 PolarHBondContact O-NE2 2.71Å; A424-P487 WeakPolarHBondContact CB-O 3.33Å; A424-L489 WeakPolarHBondContact CB-O 3.44Å; A424-M501 HydrophobicContact CB-CG 4.24Å
425A95.5Very high94.3Very high3 Ų319 Ų193%0.02510%0.097CC..Hα-helixtrans-60.7-42.6176.200000112L148 V419 Y420 S428 C429L148-A425 HydrophobicContact CD2-CB 4.06Å; V419-A425 HydrophobicContact CG2-CB 4.48Å; Y420-A425 PolarHBondContact O-N 3.27Å; A425-S428 PolarHBondContact O-N 3.23Å; A425-C429 WeakPolarHBondContact O-CB 3.49Å; A425-C429 PolarHBondContact O-N 3.39Å; A425-C429 PolarHBondContact O-SG 3.16Å
426E96.1Very high94.5Very high13 Ų1321 Ų216%0.06111%0.106CC..Hα-helixtrans-66.4-44.4179.6-69.778.9-17800112.3G423 A424 S428 C429 A430 I458 K513G423-E426 VanDerWaalsContact CA-OE2 3.24Å; G423-E426 WeakPolarHBondContact CA-OE2 3.16Å; G423-E426 PolarHBondContact O-N 2.84Å; A424-E426 PolarHBondContact O-N 2.99Å; E426-S428 VanDerWaalsContact C-N 3.33Å; E426-S428 PolarHBondContact O-N 3.43Å; E426-C429 PolarHBondContact O-N 3.49Å; E426-A430 WeakPolarHBondContact O-CB 3.37Å; E426-A430 PolarHBondContact O-N 2.87Å; E426-I458 HydrophobicContact CG-CB 4.07Å; E426-I458 HydrophobicContact CG-CG1 4.33Å; E426-I458 HydrophobicContact CG-CG2 4.1Å; E426-K513 WeakPolarHBondContact OE1-CE 3.25Å; E426-K513 IonicContact OE1-NZ 3.79Å; E426-K513 PolarHBondContact OE1-NZ 3.16Å; E426-K513 IonicContact OE2-NZ 2.71Å
427I95.8Very high94.8Very high0 Ų018.4 Ų18.40%09%0.092CC..Hα-helixtrans-62.7-43.4176-61.1168.7000110.1G423 A424 C429 A430 L431 P459 V477 R478 Q481G423-I427 VanDerWaalsContact O-CG1 3.28Å; G423-I427 WeakPolarHBondContact O-CG1 3.47Å; G423-I427 PolarHBondContact O-N 3.31Å; G423-I427 VanDerWaalsContact O-N 3.08Å; A424-I427 PolarHBondContact O-N 2.7Å; I427-C429 VanDerWaalsContact C-N 3.33Å; I427-C429 PolarHBondContact O-N 3.48Å; I427-A430 PolarHBondContact O-N 2.73Å; I427-L431 HydrophobicContact CG2-CD1 4.28Å; I427-L431 WeakPolarHBondContact O-CG 3.47Å; I427-L431 PolarHBondContact O-N 2.79Å; I427-P459 HydrophobicContact CD1-CB 4.05Å; I427-P459 HydrophobicContact CD1-CG 4.17Å; I427-P459 HydrophobicContact CG1-CB 4.16Å; I427-P459 HydrophobicContact CG1-CG 3.72Å; I427-V477 HydrophobicContact CD1-CB 4.24Å; I427-V477 HydrophobicContact CD1-CG1 3.59Å; I427-R478 HydrophobicContact CG2-CB 4.25Å; I427-R478 HydrophobicContact CG2-CG 4.4Å; I427-Q481 HydrophobicContact CG2-CG 4.49Å; I427-Q481 VanDerWaalsContact CG2-OE1 3.26Å
428S95.5Very high94.8Very high9 Ų919.6 Ų19.66%0.06310%0.104CC..Hα-helixtrans-61.9-42.7179.2-174.90000111.4H147 A424 A425 E426 L431 A432H147-S428 PolarHBondContact NE2-O 2.72Å; H147-S428 PolarHBondContact NE2-OG 3.4Å; A424-S428 WeakPolarHBondContact O-CB 3.36Å; A424-S428 PolarHBondContact O-N 2.95Å; A425-S428 PolarHBondContact O-N 3.23Å; E426-S428 VanDerWaalsContact C-N 3.33Å; E426-S428 PolarHBondContact O-N 3.43Å; S428-L431 PolarHBondContact O-N 3.49Å; S428-A432 PolarHBondContact O-N 3.25Å; S428-A432 VanDerWaalsContact O-N 3.09Å
429C96.1Very high94.8Very high0 Ų026.1 Ų26.10%013%0.132CC..Hα-helixtrans-65.3-42.5173.3-73.30000112.5A144 L148 A425 E426 I427 L431 A432 V433 L455A144-C429 HydrophobicContact CB-CB 4.11Å; L148-C429 VanDerWaalsContact CD2-SG 3.51Å; A425-C429 WeakPolarHBondContact O-CB 3.49Å; A425-C429 PolarHBondContact O-N 3.39Å; A425-C429 PolarHBondContact O-SG 3.16Å; E426-C429 PolarHBondContact O-N 3.49Å; I427-C429 VanDerWaalsContact C-N 3.33Å; I427-C429 PolarHBondContact O-N 3.48Å; C429-L431 VanDerWaalsContact C-N 3.31Å; C429-L431 PolarHBondContact O-N 3.04Å; C429-A432 PolarHBondContact O-N 3.19Å; C429-V433 WeakPolarHBondContact O-CB 3.47Å; C429-V433 VanDerWaalsContact O-CG2 3.27Å; C429-V433 WeakPolarHBondContact O-CG2 3.21Å; C429-V433 PolarHBondContact O-N 2.93Å; C429-L455 HydrophobicContact CB-CD1 3.78Å
430A96Very high94.5Very high0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-59.8-42177.500000111.6E426 I427 S434 A452 L455 E456E426-A430 WeakPolarHBondContact O-CB 3.37Å; E426-A430 PolarHBondContact O-N 2.87Å; I427-A430 PolarHBondContact O-N 2.73Å; A430-S434 VanDerWaalsContact O-CB 3.29Å; A430-S434 WeakPolarHBondContact O-CB 3.46Å; A430-S434 PolarHBondContact O-N 3.24Å; A430-S434 PolarHBondContact O-OG 3.06Å; A430-A452 HydrophobicContact CB-CB 4.25Å; A430-A452 WeakPolarHBondContact CB-O 3.46Å; A430-A452 WeakPolarHBondContact O-CB 3.48Å; A430-L455 HydrophobicContact CB-CB 4.07Å; A430-L455 HydrophobicContact CB-CD1 4.37Å; A430-E456 HydrophobicContact CB-CG 3.95Å
431L95.3Very high94.2Very high24 Ų2431.7 Ų31.713%0.12617%0.172CC..Hα-helixtrans-63.4-45.6174.8-71.3173.2000112.1I427 S428 C429 S434 Q435 R478 Q481 V482I427-L431 HydrophobicContact CG2-CD1 4.28Å; I427-L431 WeakPolarHBondContact O-CG 3.47Å; I427-L431 PolarHBondContact O-N 2.79Å; S428-L431 PolarHBondContact O-N 3.49Å; C429-L431 VanDerWaalsContact C-N 3.31Å; C429-L431 PolarHBondContact O-N 3.04Å; L431-S434 PolarHBondContact O-N 2.73Å; L431-Q435 WeakPolarHBondContact O-CG 3.5Å; L431-Q435 PolarHBondContact O-N 2.76Å; L431-R478 HydrophobicContact CD2-CG 3.91Å; L431-R478 HydrophobicContact CG-CG 4.48Å; L431-Q481 HydrophobicContact CD1-CB 4.02Å; L431-V482 HydrophobicContact CD1-CG2 3.68Å; L431-V482 HydrophobicContact CD2-CG2 3.75Å; L431-V482 HydrophobicContact CG-CG2 4.37Å
432A95.3Very high94Very high13 Ų1335.1 Ų35.111%0.10719%0.193CC..Hα-helixtrans-64.4-45.4178.700000112.1H147 S428 C429 S434 Q435 E436H147-A432 HydrophobicContact CB-CB 4.07Å; S428-A432 PolarHBondContact O-N 3.25Å; S428-A432 VanDerWaalsContact O-N 3.09Å; C429-A432 PolarHBondContact O-N 3.19Å; A432-S434 VanDerWaalsContact C-N 3.33Å; A432-S434 PolarHBondContact O-N 2.92Å; A432-Q435 PolarHBondContact O-N 3.13Å; A432-E436 PolarHBondContact O-N 2.96Å
433V96.4Very high93.9Very high0 Ų039.7 Ų39.70%021%0.214CC..Hα-helixtrans-62.5-40.9176.4172.90000110.8A140 V143 A144 C429 Q435 E436 A437 M448 F451 A452A140-V433 HydrophobicContact CB-CG1 3.8Å; V143-V433 HydrophobicContact CB-CG2 4.39Å; V143-V433 HydrophobicContact CG1-CG2 4.16Å; A144-V433 HydrophobicContact CB-CG2 4.01Å; C429-V433 WeakPolarHBondContact O-CB 3.47Å; C429-V433 VanDerWaalsContact O-CG2 3.27Å; C429-V433 WeakPolarHBondContact O-CG2 3.21Å; C429-V433 PolarHBondContact O-N 2.93Å; V433-Q435 PolarHBondContact O-N 3.4Å; V433-E436 PolarHBondContact O-N 2.96Å; V433-A437 WeakPolarHBondContact O-CB 3.23Å; V433-A437 PolarHBondContact O-N 3.41Å; V433-M448 HydrophobicContact CG1-CB 4.32Å; V433-M448 VanDerWaalsContact CG1-O 3.25Å; V433-M448 WeakPolarHBondContact CG1-O 3.29Å; V433-F451 HydrophobicContact CG1-CD1 4.32Å; V433-F451 HydrophobicContact CG2-CD1 4.45Å; V433-A452 HydrophobicContact CB-CB 4.26Å; V433-A452 HydrophobicContact CG1-CB 4.1Å
434S95.2Very high93.7Very high23 Ų2340.8 Ų40.816%0.16122%0.219CC..Hα-helixtrans-61.6-42.4176.5-63.70000112.3A430 L431 A432 A437 D438 A452A430-S434 VanDerWaalsContact O-CB 3.29Å; A430-S434 WeakPolarHBondContact O-CB 3.46Å; A430-S434 PolarHBondContact O-N 3.24Å; A430-S434 PolarHBondContact O-OG 3.06Å; L431-S434 PolarHBondContact O-N 2.73Å; A432-S434 VanDerWaalsContact C-N 3.33Å; A432-S434 PolarHBondContact O-N 2.92Å; S434-A437 WeakPolarHBondContact O-CB 3.33Å; S434-A437 PolarHBondContact O-N 3.47Å; S434-D438 PolarHBondContact O-N 3.02Å; S434-A452 WeakPolarHBondContact OG-CB 3.37Å
435Q94.6Very high93.6Very high117 Ų11742.6 Ų42.655%0.54723%0.228SC..Hα-helixtrans-65.9-37.4177.3-71.6173.310.600112.4L431 A432 V433L431-Q435 WeakPolarHBondContact O-CG 3.5Å; L431-Q435 PolarHBondContact O-N 2.76Å; A432-Q435 PolarHBondContact O-N 3.13Å; V433-Q435 PolarHBondContact O-N 3.4Å
436E94.1Very high93.6Very high67 Ų6747.3 Ų47.331%0.31325%0.245SC..Hα-helixtrans-72.2-32173.8-70.1-55.8137.800112.2V143 A432 V433 D438 K439 C440 M448V143-E436 HydrophobicContact CG1-CB 4.17Å; V143-E436 HydrophobicContact CG1-CG 3.68Å; V143-E436 HydrophobicContact CG2-CB 4.41Å; V143-E436 HydrophobicContact CG2-CG 4.27Å; A432-E436 PolarHBondContact O-N 2.96Å; V433-E436 PolarHBondContact O-N 2.96Å; E436-D438 VanDerWaalsContact C-N 3.28Å; E436-D438 PolarHBondContact O-N 3.3Å; E436-K439 PolarHBondContact O-N 3.45Å; E436-K439 VanDerWaalsContact O-N 3.14Å; E436-K439 IonicContact OE1-NZ 2.89Å; E436-K439 PolarHBondContact OE1-NZ 3.49Å; E436-K439 IonicContact OE2-NZ 3.81Å; E436-C440 PolarHBondContact O-N 3.35Å; E436-C440 PolarHBondContact O-SG 2.95Å; E436-M448 HydrophobicContact CB-CE 3.78Å
437A94.5Very high93.5Very high0 Ų046.9 Ų46.90%024%0.244CC..Hα-helixtrans-62.3-35.2174.300000111.9V433 S434 K439 C440 Q445 M448 R449V433-A437 WeakPolarHBondContact O-CB 3.23Å; V433-A437 PolarHBondContact O-N 3.41Å; S434-A437 WeakPolarHBondContact O-CB 3.33Å; S434-A437 PolarHBondContact O-N 3.47Å; A437-K439 VanDerWaalsContact C-N 3.26Å; A437-K439 PolarHBondContact O-N 3.16Å; A437-C440 PolarHBondContact O-N 3.45Å; A437-Q445 VanDerWaalsContact O-CG 3.29Å; A437-Q445 WeakPolarHBondContact O-CG 3.43Å; A437-Q445 PolarHBondContact O-NE2 3.43Å; A437-M448 HydrophobicContact CB-CB 3.66Å; A437-M448 HydrophobicContact CB-CE 4.48Å; A437-R449 HydrophobicContact CB-CG 3.86Å
438D93.9Very high93.5Very high103 Ų10346.9 Ų46.955%0.55124%0.244SC*.Hα-helixtrans-67.2-26.3176.3-70.6-23.2000113.2S434 E436 R449S434-D438 PolarHBondContact O-N 3.02Å; E436-D438 VanDerWaalsContact C-N 3.28Å; E436-D438 PolarHBondContact O-N 3.3Å; D438-R449 IonicContact OD1-CZ 2.86Å; D438-R449 IonicContact OD1-NE 3.89Å; D438-R449 IonicContact OD1-NH2 3.78Å; D438-R449 PolarHBondContact OD1-NH2 2.95Å
439K93.1Very high93.5Very high140 Ų14050.9 Ų50.961%0.60926%0.258SS*.Hα-helixtrans-82.5-19.2177-61174.4-167.1167.10112.8E436 A437 P441E436-K439 PolarHBondContact O-N 3.45Å; E436-K439 VanDerWaalsContact O-N 3.14Å; E436-K439 IonicContact OE1-NZ 2.89Å; E436-K439 PolarHBondContact OE1-NZ 3.49Å; E436-K439 IonicContact OE2-NZ 3.81Å; A437-K439 VanDerWaalsContact C-N 3.26Å; A437-K439 PolarHBondContact O-N 3.16Å; K439-P441 WeakPolarHBondContact O-CD 3.39Å
440C89.3Confident93.5Very high17 Ų1751.1 Ų51.112%0.11526%0.259CS..  trans-81.5117.4-178.5-69.50000110.7E436 A437 T442 Q445 M448E436-C440 PolarHBondContact O-N 3.35Å; E436-C440 PolarHBondContact O-SG 2.95Å; A437-C440 PolarHBondContact O-N 3.45Å; C440-T442 VanDerWaalsContact C-N 3.31Å; C440-T442 PolarHBondContact O-N 3.22Å; C440-Q445 HydrophobicContact CB-CB 4.43Å; C440-M448 HydrophobicContact CB-SD 4.29Å
441P88.3Confident93.6Very high126 Ų12651.1 Ų51.182%0.81826%0.259SS*.  trans-84.7-3.5-178.634-35.1000113.6K439K439-P441 WeakPolarHBondContact O-CD 3.39Å
442T88.9Confident93.7Very high71 Ų7150 Ų5044%0.43625%0.253SS..SBendtrans-100171.6-171.8610000112.1C440 E444 Q445C440-T442 VanDerWaalsContact C-N 3.31Å; C440-T442 PolarHBondContact O-N 3.22Å; T442-E444 WeakPolarHBondContact CB-OE2 3.49Å; T442-E444 PolarHBondContact O-N 3.23Å; T442-E444 VanDerWaalsContact O-N 3.14Å; T442-E444 PolarHBondContact OG1-OE2 2.91Å; T442-Q445 VanDerWaalsContact O-CB 3.23Å; T442-Q445 WeakPolarHBondContact O-CB 3.5Å; T442-Q445 PolarHBondContact O-N 3.39Å
443L88.5Confident93.7Very high106 Ų10652.6 Ų52.656%0.55527%0.265SS*.THydrogen-bonded Turntrans-60-25-178.3-72.8170.5000113.1Q445 Y446L443-Q445 PolarHBondContact O-N 2.93Å; L443-Q445 VanDerWaalsContact O-N 3.1Å; L443-Y446 HydrophobicContact CD2-CE2 4.41Å; L443-Y446 PolarHBondContact O-N 3.35Å; L443-Y446 VanDerWaalsContact O-N 3.13Å
444E89.4Confident93.7Very high25 Ų2552.6 Ų52.612%0.11727%0.265CS..Hα-helixtrans-57.6-20.8174.8-65.178.5-170.700112.2R132 T442 Y446 A447 M448R132-E444 IonicContact CZ-OE1 3.56Å; R132-E444 IonicContact NH1-OE1 2.74Å; R132-E444 PolarHBondContact NH1-OE1 3.28Å; T442-E444 WeakPolarHBondContact CB-OE2 3.49Å; T442-E444 PolarHBondContact O-N 3.23Å; T442-E444 VanDerWaalsContact O-N 3.14Å; T442-E444 PolarHBondContact OG1-OE2 2.91Å; E444-Y446 VanDerWaalsContact C-N 3.26Å; E444-Y446 PolarHBondContact O-N 2.92Å; E444-A447 WeakPolarHBondContact O-CB 2.98Å; E444-A447 PolarHBondContact O-N 3.5Å; E444-A447 VanDerWaalsContact O-N 3.08Å; E444-M448 WeakPolarHBondContact O-CG 3.48Å; E444-M448 PolarHBondContact O-N 3.06Å
445Q93.9Very high93.8Very high38 Ų3851.5 Ų51.518%0.17826%0.258CS..Hα-helixtrans-50.8-43.4171.1172.5173.259.900112.8A437 C440 T442 L443 M448 R449A437-Q445 VanDerWaalsContact O-CG 3.29Å; A437-Q445 WeakPolarHBondContact O-CG 3.43Å; A437-Q445 PolarHBondContact O-NE2 3.43Å; C440-Q445 HydrophobicContact CB-CB 4.43Å; T442-Q445 VanDerWaalsContact O-CB 3.23Å; T442-Q445 WeakPolarHBondContact O-CB 3.5Å; T442-Q445 PolarHBondContact O-N 3.39Å; L443-Q445 PolarHBondContact O-N 2.93Å; L443-Q445 VanDerWaalsContact O-N 3.1Å; Q445-M448 PolarHBondContact O-N 3.4Å; Q445-R449 PolarHBondContact O-N 2.87Å
446Y94.6Very high93.8Very high102 Ų10246.5 Ų46.540%0.423%0.234SC..Hα-helixtrans-67.8-37.9-179.9-66.3-76.8000111.8I128 L443 E444 R449 A450I128-Y446 HydrophobicContact CD1-CD2 4.43Å; I128-Y446 HydrophobicContact CD1-CG 4.35Å; L443-Y446 HydrophobicContact CD2-CE2 4.41Å; L443-Y446 PolarHBondContact O-N 3.35Å; L443-Y446 VanDerWaalsContact O-N 3.13Å; E444-Y446 VanDerWaalsContact C-N 3.26Å; E444-Y446 PolarHBondContact O-N 2.92Å; Y446-R449 PolarHBondContact O-N 3.42Å; Y446-A450 WeakPolarHBondContact O-CB 3.42Å; Y446-A450 PolarHBondContact O-N 3.39Å
447A94.9Very high93.8Very high3 Ų344.5 Ų44.53%0.02523%0.227CC..Hα-helixtrans-68.3-38.8175.700000111.7L123 Y137 E444 R449 A450 F451L123-A447 HydrophobicContact CD1-CB 4.25Å; Y137-A447 HydrophobicContact CD1-CB 4.14Å; Y137-A447 WeakPolarHBondContact CD1-O 3.47Å; Y137-A447 HydrophobicContact CE1-CB 4.3Å; Y137-A447 WeakPolarHBondContact CE1-O 3.37Å; E444-A447 WeakPolarHBondContact O-CB 2.98Å; E444-A447 PolarHBondContact O-N 3.5Å; E444-A447 VanDerWaalsContact O-N 3.08Å; A447-R449 PolarHBondContact O-N 3.18Å; A447-A450 PolarHBondContact O-N 3.46Å; A447-F451 WeakPolarHBondContact O-CB 3.41Å; A447-F451 PolarHBondContact O-N 3.07Å
448M95.8Very high93.9Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-64.6-39.2174.9-67.4-178.468.800112.3Q139 A140 V433 E436 A437 C440 E444 Q445 F451 A452Q139-M448 HydrophobicContact CG-SD 4.33Å; A140-M448 HydrophobicContact CB-CB 4.41Å; A140-M448 HydrophobicContact CB-CG 4.15Å; V433-M448 HydrophobicContact CG1-CB 4.32Å; V433-M448 VanDerWaalsContact CG1-O 3.25Å; V433-M448 WeakPolarHBondContact CG1-O 3.29Å; E436-M448 HydrophobicContact CB-CE 3.78Å; A437-M448 HydrophobicContact CB-CB 3.66Å; A437-M448 HydrophobicContact CB-CE 4.48Å; C440-M448 HydrophobicContact CB-SD 4.29Å; E444-M448 WeakPolarHBondContact O-CG 3.48Å; E444-M448 PolarHBondContact O-N 3.06Å; Q445-M448 PolarHBondContact O-N 3.4Å; M448-F451 WeakPolarHBondContact O-CB 3.29Å; M448-F451 PolarHBondContact O-N 3.02Å; M448-A452 PolarHBondContact O-N 3.1Å
449R95.9Very high94Very high94 Ų9440.1 Ų40.136%0.35520%0.203SC..Hα-helixtrans-64.9-46.8174.4-73.3-177.4178.41610.3112A437 D438 Q445 Y446 A447 F451 A452 D453A437-R449 HydrophobicContact CB-CG 3.86Å; D438-R449 IonicContact OD1-CZ 2.86Å; D438-R449 IonicContact OD1-NE 3.89Å; D438-R449 IonicContact OD1-NH2 3.78Å; D438-R449 PolarHBondContact OD1-NH2 2.95Å; Q445-R449 PolarHBondContact O-N 2.87Å; Y446-R449 PolarHBondContact O-N 3.42Å; A447-R449 PolarHBondContact O-N 3.18Å; R449-F451 PolarHBondContact O-N 3.07Å; R449-A452 WeakPolarHBondContact O-CA 3.38Å; R449-A452 WeakPolarHBondContact O-CB 3.43Å; R449-A452 PolarHBondContact O-N 3.42Å; R449-D453 PolarHBondContact O-N 3.1Å
450A96.4Very high94.1Very high4 Ų435.7 Ų35.73%0.03319%0.185CC..Hα-helixtrans-56.8-38.1173.600000112.6E119 L123 Y137 Y446 A447 D453 A454E119-A450 HydrophobicContact CB-CB 3.97Å; L123-A450 HydrophobicContact CD1-CB 3.68Å; L123-A450 HydrophobicContact CD2-CB 4.49Å; L123-A450 HydrophobicContact CG-CB 4.22Å; Y137-A450 HydrophobicContact CE1-CB 4.05Å; Y446-A450 WeakPolarHBondContact O-CB 3.42Å; Y446-A450 PolarHBondContact O-N 3.39Å; A447-A450 PolarHBondContact O-N 3.46Å; A450-D453 PolarHBondContact O-N 3.03Å; A450-A454 WeakPolarHBondContact O-CB 3.46Å; A450-A454 PolarHBondContact O-N 3.44Å
451F97.2Very high94.3Very high0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-64.6-41.1174-169.7-83.7000112.4L116 Y137 A140 A141 A144 V433 A447 M448 R449 A454 L455 I517 T521L116-F451 HydrophobicContact CD1-CE2 4.13Å; L116-F451 HydrophobicContact CD2-CB 4.39Å; L116-F451 HydrophobicContact CD2-CD2 3.3Å; L116-F451 HydrophobicContact CD2-CE2 3.69Å; L116-F451 HydrophobicContact CD2-CG 3.98Å; Y137-F451 HydrophobicContact CD1-CB 3.98Å; Y137-F451 HydrophobicContact CD1-CD2 4.02Å; Y137-F451 HydrophobicContact CE1-CB 4.17Å; Y137-F451 HydrophobicContact CG-CD2 4Å; A140-F451 HydrophobicContact CB-CB 3.62Å; A140-F451 HydrophobicContact CB-CD1 3.56Å; A140-F451 HydrophobicContact CB-CD2 3.95Å; A140-F451 HydrophobicContact CB-CE1 4.17Å; A140-F451 HydrophobicContact CB-CG 3.43Å; A140-F451 VanDerWaalsContact CB-CG 3.43Å; A141-F451 HydrophobicContact CB-CE2 4.1Å; A141-F451 HydrophobicContact CB-CZ 3.82Å; A144-F451 HydrophobicContact CB-CE1 4.34Å; V433-F451 HydrophobicContact CG1-CD1 4.32Å; V433-F451 HydrophobicContact CG2-CD1 4.45Å; A447-F451 WeakPolarHBondContact O-CB 3.41Å; A447-F451 PolarHBondContact O-N 3.07Å; M448-F451 WeakPolarHBondContact O-CB 3.29Å; M448-F451 PolarHBondContact O-N 3.02Å; R449-F451 PolarHBondContact O-N 3.07Å; F451-A454 PolarHBondContact O-N 2.87Å; F451-L455 HydrophobicContact CD1-CD1 3.98Å; F451-L455 HydrophobicContact CD1-CG 4.25Å; F451-L455 HydrophobicContact CE1-CD1 3.79Å; F451-L455 HydrophobicContact CE1-CD2 4.38Å; F451-L455 HydrophobicContact CE1-CG 4.05Å; F451-L455 PolarHBondContact O-N 3.02Å; F451-L455 VanDerWaalsContact O-N 3.13Å; F451-I517 HydrophobicContact CZ-CG2 3.87Å; F451-T521 HydrophobicContact CE2-CG2 4.44Å; F451-T521 WeakPolarHBondContact CE2-OG1 3.28Å
452A96.6Very high94.6Very high0 Ų029.6 Ų29.60%015%0.145CC..Hα-helixtrans-63.7-42.7175.400000111.7A430 V433 S434 M448 R449 A454 L455 E456A430-A452 HydrophobicContact CB-CB 4.25Å; A430-A452 WeakPolarHBondContact CB-O 3.46Å; A430-A452 WeakPolarHBondContact O-CB 3.48Å; V433-A452 HydrophobicContact CB-CB 4.26Å; V433-A452 HydrophobicContact CG1-CB 4.1Å; S434-A452 WeakPolarHBondContact OG-CB 3.37Å; M448-A452 PolarHBondContact O-N 3.1Å; R449-A452 WeakPolarHBondContact O-CA 3.38Å; R449-A452 WeakPolarHBondContact O-CB 3.43Å; R449-A452 PolarHBondContact O-N 3.42Å; A452-A454 VanDerWaalsContact C-N 3.33Å; A452-A454 PolarHBondContact O-N 3.14Å; A452-L455 WeakPolarHBondContact O-CB 3.35Å; A452-L455 PolarHBondContact O-N 3.49Å; A452-E456 PolarHBondContact O-N 2.96Å
453D96.1Very high94.9Very high68 Ų6826.2 Ų26.236%0.36412%0.124SC..Hα-helixtrans-63.7-39.4176.8-63.3-30000111.1E119 R449 A450 L455 E456E119-D453 HydrophobicContact CG-CB 4.48Å; R449-D453 PolarHBondContact O-N 3.1Å; A450-D453 PolarHBondContact O-N 3.03Å; D453-L455 VanDerWaalsContact C-N 3.34Å; D453-L455 PolarHBondContact O-N 2.58Å; D453-E456 PolarHBondContact O-N 3.33Å; D453-E456 VanDerWaalsContact O-N 3.16Å
454A96.9Very high95.2Very high0 Ų025 Ų250%012%0.115CC..Hα-helixtrans-63.8-34.8175.400000113.4A115 L116 E119 A450 F451 A452 E456 V457A115-A454 HydrophobicContact CB-CB 4.02Å; L116-A454 HydrophobicContact CD2-CB 3.61Å; L116-A454 HydrophobicContact CG-CB 3.96Å; E119-A454 HydrophobicContact CG-CB 4.09Å; A450-A454 WeakPolarHBondContact O-CB 3.46Å; A450-A454 PolarHBondContact O-N 3.44Å; F451-A454 PolarHBondContact O-N 2.87Å; A452-A454 VanDerWaalsContact C-N 3.33Å; A452-A454 PolarHBondContact O-N 3.14Å; A454-E456 VanDerWaalsContact C-N 3.28Å; A454-E456 PolarHBondContact O-N 3.43Å; A454-V457 WeakPolarHBondContact O-CB 3.49Å; A454-V457 PolarHBondContact O-N 3.36Å
455L96.3Very high95.4Very high0 Ų025.6 Ų25.60%012%0.12CC..Hα-helixtrans-64.1-33174.6-75171.3000112L112 C429 A430 F451 A452 D453 V457 I458 P459 I517L112-L455 HydrophobicContact CD1-CD2 3.96Å; L112-L455 HydrophobicContact CD2-CD2 4.49Å; C429-L455 HydrophobicContact CB-CD1 3.78Å; A430-L455 HydrophobicContact CB-CB 4.07Å; A430-L455 HydrophobicContact CB-CD1 4.37Å; F451-L455 HydrophobicContact CD1-CD1 3.98Å; F451-L455 HydrophobicContact CD1-CG 4.25Å; F451-L455 HydrophobicContact CE1-CD1 3.79Å; F451-L455 HydrophobicContact CE1-CD2 4.38Å; F451-L455 HydrophobicContact CE1-CG 4.05Å; F451-L455 PolarHBondContact O-N 3.02Å; F451-L455 VanDerWaalsContact O-N 3.13Å; A452-L455 WeakPolarHBondContact O-CB 3.35Å; A452-L455 PolarHBondContact O-N 3.49Å; D453-L455 VanDerWaalsContact C-N 3.34Å; D453-L455 PolarHBondContact O-N 2.58Å; L455-V457 PolarHBondContact O-N 3.22Å; L455-I458 PolarHBondContact O-N 3.25Å; L455-P459 VanDerWaalsContact O-CD 3.29Å; L455-P459 WeakPolarHBondContact O-CD 3.35Å; L455-I517 HydrophobicContact CD2-CD1 4.36Å
456E95.4Very high95.4Very high12 Ų1224.5 Ų24.56%0.05612%0.116CC..Hα-helixtrans-69.4-14.6178-63.9-173.4167.600112.8A430 A452 D453 A454 I458 P459 M460 M474 R478A430-E456 HydrophobicContact CB-CG 3.95Å; A452-E456 PolarHBondContact O-N 2.96Å; D453-E456 PolarHBondContact O-N 3.33Å; D453-E456 VanDerWaalsContact O-N 3.16Å; A454-E456 VanDerWaalsContact C-N 3.28Å; A454-E456 PolarHBondContact O-N 3.43Å; E456-I458 VanDerWaalsContact C-N 3.31Å; E456-I458 PolarHBondContact O-N 3.4Å; E456-P459 VanDerWaalsContact O-CD 3.23Å; E456-P459 WeakPolarHBondContact O-CD 3.29Å; E456-P459 WeakPolarHBondContact O-CG 3.38Å; E456-M460 HydrophobicContact CB-CE 4.3Å; E456-M460 WeakPolarHBondContact O-CB 3.43Å; E456-M460 WeakPolarHBondContact O-CE 3.41Å; E456-M460 VanDerWaalsContact O-CG 3.26Å; E456-M460 WeakPolarHBondContact O-CG 3.46Å; E456-M460 PolarHBondContact O-N 2.94Å; E456-M474 HydrophobicContact CG-SD 4.48Å; E456-M474 WeakPolarHBondContact OE2-CE 3.42Å; E456-R478 WeakPolarHBondContact OE1-CD 2.93Å; E456-R478 IonicContact OE1-CZ 3.96Å; E456-R478 IonicContact OE1-NE 3.31Å; E456-R478 IonicContact OE1-NH1 3.67Å; E456-R478 PolarHBondContact OE1-NH1 2.88Å; E456-R478 IonicContact OE2-NH1 2.76Å; E456-R478 PolarHBondContact OE2-NH1 2.99Å
457V94.9Very high95.3Very high25 Ų2523.2 Ų23.215%0.15213%0.133CC..Hα-helixtrans-65-33.7177.8177.80000112.6V111 A115 A454 L455 M460 A461V111-V457 HydrophobicContact CG1-CG1 4.24Å; A115-V457 HydrophobicContact CB-CB 3.78Å; A115-V457 HydrophobicContact CB-CG1 4.01Å; A115-V457 HydrophobicContact CB-CG2 3.69Å; A454-V457 WeakPolarHBondContact O-CB 3.49Å; A454-V457 PolarHBondContact O-N 3.36Å; L455-V457 PolarHBondContact O-N 3.22Å; V457-M460 HydrophobicContact CB-CE 4.3Å; V457-M460 HydrophobicContact CG2-CE 3.8Å; V457-M460 PolarHBondContact O-N 3.08Å; V457-A461 WeakPolarHBondContact O-CB 3.46Å; V457-A461 PolarHBondContact O-N 3.04Å
458I95.3Very high95.1Very high11 Ų1124.9 Ų24.96%0.05614%0.141CC..Hα-helixtrans-61.1-57177-61.6-61.6000111.5L52 V111 L112 E426 L455 E456 M460 A461 L462L52-I458 HydrophobicContact CD2-CD1 4.23Å; L52-I458 HydrophobicContact CD2-CG2 4.3Å; V111-I458 HydrophobicContact CB-CD1 3.96Å; V111-I458 HydrophobicContact CG1-CD1 3.77Å; L112-I458 HydrophobicContact CB-CD1 4.38Å; E426-I458 HydrophobicContact CG-CB 4.07Å; E426-I458 HydrophobicContact CG-CG1 4.33Å; E426-I458 HydrophobicContact CG-CG2 4.1Å; L455-I458 PolarHBondContact O-N 3.25Å; E456-I458 VanDerWaalsContact C-N 3.31Å; E456-I458 PolarHBondContact O-N 3.4Å; I458-M460 VanDerWaalsContact C-N 3.33Å; I458-M460 PolarHBondContact O-N 3.28Å; I458-A461 PolarHBondContact O-N 3.23Å; I458-L462 WeakPolarHBondContact O-CG 3.36Å; I458-L462 PolarHBondContact O-N 2.86Å
459P95.5Very high95Very high0 Ų028.2 Ų28.20%016%0.159CC..Hα-helixtrans-60.5-40.417417.6-26.8000112.2I427 L455 E456 A461 L462 S463 I491I427-P459 HydrophobicContact CD1-CB 4.05Å; I427-P459 HydrophobicContact CD1-CG 4.17Å; I427-P459 HydrophobicContact CG1-CB 4.16Å; I427-P459 HydrophobicContact CG1-CG 3.72Å; L455-P459 VanDerWaalsContact O-CD 3.29Å; L455-P459 WeakPolarHBondContact O-CD 3.35Å; E456-P459 VanDerWaalsContact O-CD 3.23Å; E456-P459 WeakPolarHBondContact O-CD 3.29Å; E456-P459 WeakPolarHBondContact O-CG 3.38Å; P459-A461 VanDerWaalsContact C-N 3.31Å; P459-A461 PolarHBondContact O-N 3.07Å; P459-L462 WeakPolarHBondContact O-CB 3.21Å; P459-L462 PolarHBondContact O-N 2.95Å; P459-L462 VanDerWaalsContact O-N 3.13Å; P459-S463 PolarHBondContact O-N 3.49Å; P459-I491 HydrophobicContact CB-CD1 3.36Å; P459-I491 HydrophobicContact CB-CG1 4.31Å; P459-I491 WeakPolarHBondContact O-CD1 3.38Å
460M95.2Very high94.9Very high47 Ų4725 Ų2523%0.23215%0.15CC..Hα-helixtrans-58.7-42.4176.6-73.3-171.5-66.800112.4E456 V457 I458 S463 E464 P470 M474E456-M460 HydrophobicContact CB-CE 4.3Å; E456-M460 WeakPolarHBondContact O-CB 3.43Å; E456-M460 WeakPolarHBondContact O-CE 3.41Å; E456-M460 VanDerWaalsContact O-CG 3.26Å; E456-M460 WeakPolarHBondContact O-CG 3.46Å; E456-M460 PolarHBondContact O-N 2.94Å; V457-M460 HydrophobicContact CB-CE 4.3Å; V457-M460 HydrophobicContact CG2-CE 3.8Å; V457-M460 PolarHBondContact O-N 3.08Å; I458-M460 VanDerWaalsContact C-N 3.33Å; I458-M460 PolarHBondContact O-N 3.28Å; M460-S463 WeakPolarHBondContact O-CB 3.37Å; M460-S463 PolarHBondContact O-N 3.16Å; M460-E464 WeakPolarHBondContact O-CG 3.42Å; M460-E464 PolarHBondContact O-N 2.96Å; M460-P470 HydrophobicContact CB-CB 4.19Å; M460-P470 HydrophobicContact CG-CB 4.29Å; M460-M474 HydrophobicContact CG-CB 4.44Å; M460-M474 HydrophobicContact CG-CG 4.36Å
461A94.5Very high94.8Very high0 Ų030.5 Ų30.50%018%0.178CC..Hα-helixtrans-63.4-40.2174.700000112.5R49 L52 V457 I458 P459 S463 E464 N465R49-A461 HydrophobicContact CG-CB 3.71Å; L52-A461 HydrophobicContact CD2-CB 3.95Å; V457-A461 WeakPolarHBondContact O-CB 3.46Å; V457-A461 PolarHBondContact O-N 3.04Å; I458-A461 PolarHBondContact O-N 3.23Å; P459-A461 VanDerWaalsContact C-N 3.31Å; P459-A461 PolarHBondContact O-N 3.07Å; A461-S463 VanDerWaalsContact C-N 3.34Å; A461-S463 PolarHBondContact O-N 3.44Å; A461-E464 PolarHBondContact O-N 2.99Å; A461-N465 WeakPolarHBondContact O-CB 3.38Å; A461-N465 VanDerWaalsContact O-CG 3.27Å; A461-N465 PolarHBondContact O-N 3.04Å; A461-N465 PolarHBondContact O-ND2 3.03Å
462L94.4Very high94.6Very high15 Ų1536 Ų368%0.07920%0.204CC..Hα-helixtrans-62-40.9174.5-68.6175.6000112.3L52 I458 P459 S466 I491L52-L462 HydrophobicContact CD2-CD2 4.38Å; L52-L462 HydrophobicContact CD2-CG 4.48Å; L52-L462 HydrophobicContact CG-CD2 4.07Å; I458-L462 WeakPolarHBondContact O-CG 3.36Å; I458-L462 PolarHBondContact O-N 2.86Å; P459-L462 WeakPolarHBondContact O-CB 3.21Å; P459-L462 PolarHBondContact O-N 2.95Å; P459-L462 VanDerWaalsContact O-N 3.13Å; L462-S466 WeakPolarHBondContact O-CB 3.42Å; L462-S466 PolarHBondContact O-N 3.46Å; L462-S466 VanDerWaalsContact O-N 3.13Å; L462-S466 PolarHBondContact O-OG 3.33Å; L462-I491 HydrophobicContact CB-CD1 4.44Å
463S94.9Very high94.4Very high0 Ų037 Ų370%021%0.21CC..Hα-helixtrans-63.4-47.3175.2-179.70000111.5P459 M460 A461 S466 G467 M468 P470 T473P459-S463 PolarHBondContact O-N 3.49Å; M460-S463 WeakPolarHBondContact O-CB 3.37Å; M460-S463 PolarHBondContact O-N 3.16Å; A461-S463 VanDerWaalsContact C-N 3.34Å; A461-S463 PolarHBondContact O-N 3.44Å; S463-S466 CarbonylContact O-C 3.57Å; S463-S466 PolarHBondContact O-N 3.48Å; S463-G467 PolarHBondContact O-N 2.97Å; S463-M468 PolarHBondContact O-N 2.96Å; S463-M468 VanDerWaalsContact OG-CB 3.31Å; S463-M468 WeakPolarHBondContact OG-CB 3.45Å; S463-M468 PolarHBondContact OG-O 2.74Å; S463-P470 WeakPolarHBondContact OG-CA 3.38Å; S463-T473 PolarHBondContact OG-OG1 3.35Å
464E94.6Very high94.2Very high81 Ų8134.6 Ų34.638%0.37920%0.197SC..Hα-helixtrans-61.1-47.3179.4-77.5175.2-163.300111.8R49 M460 A461 S466 G467 P470R49-E464 IonicContact CZ-OE1 2.86Å; R49-E464 IonicContact CZ-OE2 3.49Å; R49-E464 IonicContact NE-OE2 3.35Å; R49-E464 PolarHBondContact NE-OE2 2.69Å; R49-E464 IonicContact NH1-OE1 3Å; R49-E464 IonicContact NH1-OE2 3.44Å; R49-E464 PolarHBondContact NH1-OE2 3.27Å; R49-E464 IonicContact NH2-OE1 3.87Å; R49-E464 PolarHBondContact NH2-OE1 3.27Å; R49-E464 IonicContact NH2-OE2 2.7Å; R49-E464 PolarHBondContact NH2-OE2 3.14Å; M460-E464 WeakPolarHBondContact O-CG 3.42Å; M460-E464 PolarHBondContact O-N 2.96Å; A461-E464 PolarHBondContact O-N 2.99Å; E464-S466 PolarHBondContact O-N 3.36Å; E464-G467 PolarHBondContact O-N 3.36Å; E464-P470 HydrophobicContact CG-CB 4Å; E464-P470 HydrophobicContact CG-CG 3.77Å
465N94.4Very high94Very high38 Ų3838.4 Ų38.420%0.20322%0.22CC..Hα-helixtrans-66.1-22.6178.7-67-17000112.4R49 L52 N55 A461 G467R49-N465 PolarHBondContact O-ND2 2.74Å; L52-N465 PolarHBondContact O-ND2 3.49Å; N55-N465 WeakPolarHBondContact CB-O 3.4Å; A461-N465 WeakPolarHBondContact O-CB 3.38Å; A461-N465 VanDerWaalsContact O-CG 3.27Å; A461-N465 PolarHBondContact O-N 3.04Å; A461-N465 PolarHBondContact O-ND2 3.03Å; N465-G467 VanDerWaalsContact C-N 3.33Å
466S92.8Very high93.9Very high14 Ų1444.5 Ų44.510%0.09825%0.248CC..THydrogen-bonded Turntrans-89.44.6174.3-53.50000113.4N55 L462 S463 E464 M468 C493N55-S466 PolarHBondContact ND2-OG 3Å; N55-S466 VanDerWaalsContact ND2-OG 3.12Å; L462-S466 WeakPolarHBondContact O-CB 3.42Å; L462-S466 PolarHBondContact O-N 3.46Å; L462-S466 VanDerWaalsContact O-N 3.13Å; L462-S466 PolarHBondContact O-OG 3.33Å; S463-S466 CarbonylContact O-C 3.57Å; S463-S466 PolarHBondContact O-N 3.48Å; E464-S466 PolarHBondContact O-N 3.36Å; S466-M468 VanDerWaalsContact C-N 3.25Å; S466-M468 PolarHBondContact O-N 3.14Å; S466-C493 WeakPolarHBondContact OG-CA 3.45Å; S466-C493 WeakPolarHBondContact OG-CB 3.23Å
467G92.6Very high93.8Very high75 Ų7544 Ų4477%0.77325%0.246SC*.THydrogen-bonded Turntrans72.114.4179.800000114.7S463 E464 N465S463-G467 PolarHBondContact O-N 2.97Å; E464-G467 PolarHBondContact O-N 3.36Å; N465-G467 VanDerWaalsContact C-N 3.33Å
468M92.1Very high93.6Very high38 Ų3846.5 Ų46.519%0.18725%0.253CS..SBendtrans-91.7157.6176.8-61.1-178-15200111.2S463 S466 P470 T473 I491 D492 H495S463-M468 PolarHBondContact O-N 2.96Å; S463-M468 VanDerWaalsContact OG-CB 3.31Å; S463-M468 WeakPolarHBondContact OG-CB 3.45Å; S463-M468 PolarHBondContact OG-O 2.74Å; S466-M468 VanDerWaalsContact C-N 3.25Å; S466-M468 PolarHBondContact O-N 3.14Å; M468-P470 VanDerWaalsContact O-CD 3.26Å; M468-P470 WeakPolarHBondContact O-CD 3.32Å; M468-T473 HydrophobicContact SD-CG2 4.25Å; M468-I491 HydrophobicContact SD-CG2 4.42Å; M468-D492 WeakPolarHBondContact CE-O 3.39Å; M468-H495 WeakPolarHBondContact CE-CE1 3.39Å; M468-H495 WeakPolarHBondContact CE-ND1 3.49Å
469N93.8Very high93.6Very high70 Ų7048.9 Ų48.937%0.37427%0.274SS..  trans-71.9114.3173.1-175.2-30.8000109.8I471 Q472 T473N469-I471 VanDerWaalsContact C-N 3.34Å; N469-I471 PolarHBondContact O-N 2.86Å; N469-I471 PolarHBondContact OD1-N 3.49Å; N469-I471 VanDerWaalsContact OD1-N 3.14Å; N469-Q472 HydrophobicContact CB-CB 4.17Å; N469-Q472 HydrophobicContact CB-CG 4.34Å; N469-Q472 PolarHBondContact ND2-OE1 2.97Å; N469-Q472 PolarHBondContact O-N 3.44Å; N469-Q472 PolarHBondContact OD1-N 3.49Å; N469-T473 WeakPolarHBondContact O-CB 3.44Å; N469-T473 PolarHBondContact O-N 3.12Å; N469-T473 PolarHBondContact O-OG1 3.41Å
470P93.1Very high93.5Very high26 Ų2652.9 Ų52.917%0.16929%0.289CS..Hα-helixtrans-61.8-39.9-174.123.2-33000112.9M460 S463 E464 M468 M474M460-P470 HydrophobicContact CB-CB 4.19Å; M460-P470 HydrophobicContact CG-CB 4.29Å; S463-P470 WeakPolarHBondContact OG-CA 3.38Å; E464-P470 HydrophobicContact CG-CB 4Å; E464-P470 HydrophobicContact CG-CG 3.77Å; M468-P470 VanDerWaalsContact O-CD 3.26Å; M468-P470 WeakPolarHBondContact O-CD 3.32Å; P470-M474 WeakPolarHBondContact O-CB 3.49Å; P470-M474 PolarHBondContact O-N 3.49Å
471I94Very high93.4Very high121 Ų12151 Ų5162%0.62128%0.28SS*.Hα-helixtrans-68.9-46.7-175.5-59.3174.7000110.2N469 T475N469-I471 VanDerWaalsContact C-N 3.34Å; N469-I471 PolarHBondContact O-N 2.86Å; N469-I471 PolarHBondContact OD1-N 3.49Å; N469-I471 VanDerWaalsContact OD1-N 3.14Å; I471-T475 VanDerWaalsContact O-CB 3.3Å; I471-T475 WeakPolarHBondContact O-CB 3.41Å; I471-T475 PolarHBondContact O-N 3.13Å; I471-T475 PolarHBondContact O-OG1 3.17Å
472Q94Very high93.3Very high116 Ų11655 Ų5554%0.54230%0.304SS..Hα-helixtrans-65.4-50-179.8-69.8177.9-24.500110.9N469 M474 T475 E476N469-Q472 HydrophobicContact CB-CB 4.17Å; N469-Q472 HydrophobicContact CB-CG 4.34Å; N469-Q472 PolarHBondContact ND2-OE1 2.97Å; N469-Q472 PolarHBondContact O-N 3.44Å; N469-Q472 PolarHBondContact OD1-N 3.49Å; Q472-M474 PolarHBondContact O-N 3.12Å; Q472-T475 PolarHBondContact O-N 3.4Å; Q472-E476 WeakPolarHBondContact O-CG 3.46Å; Q472-E476 PolarHBondContact O-N 3.14Å
473T91.6Very high93.2Very high19 Ų1963 Ų6312%0.11734%0.338CS..Hα-helixtrans-61.9-44.8-177.7-490000111.4S463 M468 N469 E476 V477 I491S463-T473 PolarHBondContact OG-OG1 3.35Å; M468-T473 HydrophobicContact SD-CG2 4.25Å; N469-T473 WeakPolarHBondContact O-CB 3.44Å; N469-T473 PolarHBondContact O-N 3.12Å; N469-T473 PolarHBondContact O-OG1 3.41Å; T473-E476 PolarHBondContact O-N 3.29Å; T473-V477 VanDerWaalsContact O-CG2 3.31Å; T473-V477 WeakPolarHBondContact O-CG2 3.42Å; T473-V477 PolarHBondContact O-N 2.94Å; T473-I491 HydrophobicContact CG2-CG1 4.13Å; T473-I491 HydrophobicContact CG2-CG2 4.21Å
474M92Very high93.1Very high19 Ų1967.4 Ų67.49%0.09436%0.359CS..Hα-helixtrans-63.9-46.8178.1-165.4-68.5-70.400110.7E456 M460 P470 Q472 E476 V477 R478E456-M474 HydrophobicContact CG-SD 4.48Å; E456-M474 WeakPolarHBondContact OE2-CE 3.42Å; M460-M474 HydrophobicContact CG-CB 4.44Å; M460-M474 HydrophobicContact CG-CG 4.36Å; P470-M474 WeakPolarHBondContact O-CB 3.49Å; P470-M474 PolarHBondContact O-N 3.49Å; Q472-M474 PolarHBondContact O-N 3.12Å; M474-E476 VanDerWaalsContact C-N 3.32Å; M474-E476 PolarHBondContact O-N 3.22Å; M474-V477 PolarHBondContact O-N 3.22Å; M474-R478 WeakPolarHBondContact O-CB 3.35Å; M474-R478 PolarHBondContact O-N 3.36Å; M474-R478 HydrophobicContact SD-CB 3.85Å; M474-R478 HydrophobicContact SD-CG 4.42Å
475T93.1Very high92.8Very high80 Ų8071.7 Ų71.749%0.49138%0.381SS..Hα-helixtrans-58.7-43.4179-57.10000111.8I471 Q472 A479I471-T475 VanDerWaalsContact O-CB 3.3Å; I471-T475 WeakPolarHBondContact O-CB 3.41Å; I471-T475 PolarHBondContact O-N 3.13Å; I471-T475 PolarHBondContact O-OG1 3.17Å; Q472-T475 PolarHBondContact O-N 3.4Å; T475-A479 VanDerWaalsContact O-CB 3.23Å; T475-A479 WeakPolarHBondContact O-CB 3.46Å; T475-A479 PolarHBondContact O-N 3.3Å
476E92.8Very high92.6Very high127 Ų12771.9 Ų71.959%0.59338%0.382SS*.Hα-helixtrans-64.3-50.6178-73.9175.9-168.900112.1Q472 T473 M474 A479 R480Q472-E476 WeakPolarHBondContact O-CG 3.46Å; Q472-E476 PolarHBondContact O-N 3.14Å; T473-E476 PolarHBondContact O-N 3.29Å; M474-E476 VanDerWaalsContact C-N 3.32Å; M474-E476 PolarHBondContact O-N 3.22Å; E476-A479 PolarHBondContact O-N 3.43Å; E476-R480 WeakPolarHBondContact O-CG 3.29Å; E476-R480 PolarHBondContact O-N 2.86Å
477V93.2Very high92.4Very high2 Ų273 Ų731%0.01239%0.389CS..Hα-helixtrans-64.6-43.5-179.1176.20000110.9I427 T473 M474 R480 Q481 L489I427-V477 HydrophobicContact CD1-CB 4.24Å; I427-V477 HydrophobicContact CD1-CG1 3.59Å; T473-V477 VanDerWaalsContact O-CG2 3.31Å; T473-V477 WeakPolarHBondContact O-CG2 3.42Å; T473-V477 PolarHBondContact O-N 2.94Å; M474-V477 PolarHBondContact O-N 3.22Å; V477-R480 PolarHBondContact O-N 3.41Å; V477-Q481 HydrophobicContact CG1-CG 4.5Å; V477-Q481 PolarHBondContact O-N 3.24Å; V477-L489 HydrophobicContact CG1-CB 4.37Å; V477-L489 WeakPolarHBondContact CG1-O 3.46Å
478R92.7Very high92.4Very high78 Ų7869.5 Ų69.529%0.29435%0.353SS..Hα-helixtrans-60.4-46.8176.5-175.5176.5174.8173-1.2111.6I427 L431 E456 M474 R480 Q481 V482I427-R478 HydrophobicContact CG2-CB 4.25Å; I427-R478 HydrophobicContact CG2-CG 4.4Å; L431-R478 HydrophobicContact CD2-CG 3.91Å; L431-R478 HydrophobicContact CG-CG 4.48Å; E456-R478 WeakPolarHBondContact OE1-CD 2.93Å; E456-R478 IonicContact OE1-CZ 3.96Å; E456-R478 IonicContact OE1-NE 3.31Å; E456-R478 IonicContact OE1-NH1 3.67Å; E456-R478 PolarHBondContact OE1-NH1 2.88Å; E456-R478 IonicContact OE2-NH1 2.76Å; E456-R478 PolarHBondContact OE2-NH1 2.99Å; M474-R478 WeakPolarHBondContact O-CB 3.35Å; M474-R478 PolarHBondContact O-N 3.36Å; M474-R478 HydrophobicContact SD-CB 3.85Å; M474-R478 HydrophobicContact SD-CG 4.42Å; R478-R480 VanDerWaalsContact C-N 3.29Å; R478-R480 PolarHBondContact O-N 2.9Å; R478-Q481 PolarHBondContact O-N 2.85Å; R478-V482 WeakPolarHBondContact O-CG2 3.49Å; R478-V482 PolarHBondContact O-N 3.27Å; R478-V482 VanDerWaalsContact O-N 3.13Å
479A93.8Very high92.5Very high60 Ų6067.8 Ų67.850%0.49634%0.344SS..Hα-helixtrans-61.5-38.617700000111.9T475 E476 K483T475-A479 VanDerWaalsContact O-CB 3.23Å; T475-A479 WeakPolarHBondContact O-CB 3.46Å; T475-A479 PolarHBondContact O-N 3.3Å; E476-A479 PolarHBondContact O-N 3.43Å; A479-K483 VanDerWaalsContact O-CB 3.3Å; A479-K483 WeakPolarHBondContact O-CB 3.31Å; A479-K483 PolarHBondContact O-N 3.13Å
480R93.2Very high92.5Very high85 Ų8564.4 Ų64.432%0.32133%0.326SS..Hα-helixtrans-70.4-42.8176.7-70.6-175.565.1-166.3-5.4113E476 V477 R478 V482 K483 E484 L489 N499E476-R480 WeakPolarHBondContact O-CG 3.29Å; E476-R480 PolarHBondContact O-N 2.86Å; V477-R480 PolarHBondContact O-N 3.41Å; R478-R480 VanDerWaalsContact C-N 3.29Å; R478-R480 PolarHBondContact O-N 2.9Å; R480-V482 VanDerWaalsContact C-N 3.27Å; R480-V482 PolarHBondContact O-N 3.49Å; R480-K483 PolarHBondContact O-N 3.26Å; R480-E484 IonicContact CZ-OE1 3.22Å; R480-E484 IonicContact NE-OE1 2.73Å; R480-E484 PolarHBondContact NE-OE1 3.08Å; R480-E484 IonicContact NH2-OE1 2.71Å; R480-E484 PolarHBondContact NH2-OE1 3.17Å; R480-E484 VanDerWaalsContact NH2-OE1 3.07Å; R480-E484 IonicContact NH2-OE2 2.98Å; R480-E484 WeakPolarHBondContact O-CB 3.3Å; R480-E484 PolarHBondContact O-N 3.02Å; R480-L489 HydrophobicContact CB-CD1 3.71Å; R480-N499 PolarHBondContact NH1-OD1 3.25Å
481Q93Very high92.5Very high8 Ų863.3 Ų63.34%0.03732%0.318CS..Hα-helixtrans-56.4-43174.7-79.2-158.8-2.700111.4A424 I427 L431 V477 R478 M485 L489A424-Q481 PolarHBondContact O-NE2 2.71Å; I427-Q481 HydrophobicContact CG2-CG 4.49Å; I427-Q481 VanDerWaalsContact CG2-OE1 3.26Å; L431-Q481 HydrophobicContact CD1-CB 4.02Å; V477-Q481 HydrophobicContact CG1-CG 4.5Å; V477-Q481 PolarHBondContact O-N 3.24Å; R478-Q481 PolarHBondContact O-N 2.85Å; Q481-M485 WeakPolarHBondContact O-CA 3.13Å; Q481-M485 PolarHBondContact O-N 2.86Å; Q481-L489 HydrophobicContact CG-CB 3.85Å; Q481-L489 HydrophobicContact CG-CD1 4.44Å; Q481-L489 PolarHBondContact NE2-O 2.83Å
482V93.4Very high92.4Very high83 Ų8358.2 Ų58.250%0.50329%0.293SS..Hα-helixtrans-67.6-43.9177.1175.80000111.8L431 R478 R480L431-V482 HydrophobicContact CD1-CG2 3.68Å; L431-V482 HydrophobicContact CD2-CG2 3.75Å; L431-V482 HydrophobicContact CG-CG2 4.37Å; R478-V482 WeakPolarHBondContact O-CG2 3.49Å; R478-V482 PolarHBondContact O-N 3.27Å; R478-V482 VanDerWaalsContact O-N 3.13Å; R480-V482 VanDerWaalsContact C-N 3.27Å; R480-V482 PolarHBondContact O-N 3.49Å
483K93.3Very high92.2Very high184 Ų18453.1 Ų53.180%0.827%0.27SS*.Hα-helixtrans-70.9-42.5-176.8-176-177.9177.4-174.70113A479 R480A479-K483 VanDerWaalsContact O-CB 3.3Å; A479-K483 WeakPolarHBondContact O-CB 3.31Å; A479-K483 PolarHBondContact O-N 3.13Å; R480-K483 PolarHBondContact O-N 3.26Å
484E90.9Very high92.1Very high92 Ų9256.3 Ų56.343%0.4329%0.285SS..Hα-helixtrans-91.4-11-175.4-61.7176-149.200112.2R480 N486 L489R480-E484 IonicContact CZ-OE1 3.22Å; R480-E484 IonicContact NE-OE1 2.73Å; R480-E484 PolarHBondContact NE-OE1 3.08Å; R480-E484 IonicContact NH2-OE1 2.71Å; R480-E484 PolarHBondContact NH2-OE1 3.17Å; R480-E484 VanDerWaalsContact NH2-OE1 3.07Å; R480-E484 IonicContact NH2-OE2 2.98Å; R480-E484 WeakPolarHBondContact O-CB 3.3Å; R480-E484 PolarHBondContact O-N 3.02Å; E484-N486 HydrophobicContact CB-CB 4.18Å; E484-N486 PolarHBondContact O-N 3.44Å; E484-L489 HydrophobicContact CB-CD1 4.41Å
485M88.8Confident91.9Very high170 Ų17061.5 Ų61.584%0.83731%0.309SS*.  trans50.432.9-170.5-62.3-170.6-178.700112.9Q481 P487Q481-M485 WeakPolarHBondContact O-CA 3.13Å; Q481-M485 PolarHBondContact O-N 2.86Å; M485-P487 WeakPolarHBondContact O-CD 3.26Å
486N90Very high91.5Very high43 Ų4363.2 Ų63.223%0.2331%0.31CS..  trans-105.1107.4-177.7-175-0.3000110.4E484 A488 L489E484-N486 HydrophobicContact CB-CB 4.18Å; E484-N486 PolarHBondContact O-N 3.44Å; N486-A488 PolarHBondContact O-N 2.99Å; N486-A488 VanDerWaalsContact OD1-CB 3.31Å; N486-A488 WeakPolarHBondContact OD1-CB 3.18Å; N486-A488 PolarHBondContact OD1-N 3.29Å; N486-L489 HydrophobicContact CB-CD1 4.15Å; N486-L489 HydrophobicContact CB-CG 4.1Å
487P90.2Very high91.3Very high38 Ų3860.7 Ų60.725%0.24732%0.318CS..THydrogen-bonded Turntrans-72.7-7.7-179.731.8-36.1000113.4I151 A424 M485I151-P487 HydrophobicContact CB-CB 4.04Å; I151-P487 HydrophobicContact CB-CG 4.07Å; I151-P487 HydrophobicContact CD1-CB 4.3Å; I151-P487 HydrophobicContact CG2-CB 3.92Å; I151-P487 HydrophobicContact CG2-CG 4.12Å; A424-P487 WeakPolarHBondContact CB-O 3.33Å; M485-P487 WeakPolarHBondContact O-CD 3.26Å
488A92Very high91Very high1 Ų162.4 Ų62.41%0.00833%0.328CS..THydrogen-bonded Turntrans-86-3.6-179.100000113.9Y420 N486 G490 M501 K502Y420-A488 HydrophobicContact CD1-CB 4.43Å; Y420-A488 HydrophobicContact CD2-CB 3.52Å; Y420-A488 HydrophobicContact CE2-CB 4.09Å; Y420-A488 HydrophobicContact CG-CB 3.73Å; N486-A488 PolarHBondContact O-N 2.99Å; N486-A488 VanDerWaalsContact OD1-CB 3.31Å; N486-A488 WeakPolarHBondContact OD1-CB 3.18Å; N486-A488 PolarHBondContact OD1-N 3.29Å; A488-G490 PolarHBondContact O-N 3.01Å; A488-M501 VanDerWaalsContact O-CB 3.25Å; A488-M501 WeakPolarHBondContact O-CB 3.24Å; A488-M501 WeakPolarHBondContact O-CG 3.25Å; A488-M501 PolarHBondContact O-N 3.21Å; A488-K502 HydrophobicContact CB-CB 4.18Å
489L93.6Very high90.8Very high1 Ų160.5 Ų60.51%0.00532%0.324CS..BIsolated β-bridgetrans-77.6116.3179.8-61.4172.8000110.6A424 V477 R480 Q481 E484 N486 N499 D500A424-L489 WeakPolarHBondContact CB-O 3.44Å; V477-L489 HydrophobicContact CG1-CB 4.37Å; V477-L489 WeakPolarHBondContact CG1-O 3.46Å; R480-L489 HydrophobicContact CB-CD1 3.71Å; Q481-L489 HydrophobicContact CG-CB 3.85Å; Q481-L489 HydrophobicContact CG-CD1 4.44Å; Q481-L489 PolarHBondContact NE2-O 2.83Å; E484-L489 HydrophobicContact CB-CD1 4.41Å; N486-L489 HydrophobicContact CB-CD1 4.15Å; N486-L489 HydrophobicContact CB-CG 4.1Å; L489-N499 CarbonylContact C-O 3.58Å; L489-N499 WeakPolarHBondContact CA-O 3.26Å; L489-N499 HydrophobicContact CD2-CB 4.24Å; L489-D500 HydrophobicContact CD2-CB 4.16Å
490G93.1Very high90.7Very high0 Ų058.6 Ų58.60%031%0.306CS..  trans-127.4-164.5179.700000113A488 N499A488-G490 PolarHBondContact O-N 3.01Å; G490-N499 PolarHBondContact N-O 3.27Å; G490-N499 WeakPolarHBondContact O-CB 3.32Å; G490-N499 PolarHBondContact O-ND2 3.39Å
491I93.4Very high90.7Very high2 Ų254.7 Ų54.71%0.0129%0.291CS..  trans-89.5123.2178.7-64.3173.4000109.6G422 P459 L462 M468 T473 C493G422-I491 PolarHBondContact O-N 3.48Å; P459-I491 HydrophobicContact CB-CD1 3.36Å; P459-I491 HydrophobicContact CB-CG1 4.31Å; P459-I491 WeakPolarHBondContact O-CD1 3.38Å; L462-I491 HydrophobicContact CB-CD1 4.44Å; M468-I491 HydrophobicContact SD-CG2 4.42Å; T473-I491 HydrophobicContact CG2-CG1 4.13Å; T473-I491 HydrophobicContact CG2-CG2 4.21Å; I491-C493 VanDerWaalsContact C-N 3.27Å; I491-C493 PolarHBondContact O-N 3.03Å
492D92.6Very high90.6Very high14 Ų1459.3 Ų59.38%0.07531%0.311CS..  trans-78.572.5178.6-178.417.2000111.7M468 L494 H495 K496 G497 Q504M468-D492 WeakPolarHBondContact CE-O 3.39Å; D492-L494 PolarHBondContact O-N 3.26Å; D492-H495 PolarHBondContact O-N 3.14Å; D492-H495 VanDerWaalsContact O-N 3.11Å; D492-H495 PolarHBondContact OD1-N 3.44Å; D492-H495 VanDerWaalsContact OD1-N 3.15Å; D492-H495 VanDerWaalsContact OD2-C 3.27Å; D492-H495 WeakPolarHBondContact OD2-CA 3.42Å; D492-K496 VanDerWaalsContact CG-N 3.3Å; D492-K496 PolarHBondContact OD1-N 2.89Å; D492-K496 PolarHBondContact OD2-N 3.19Å; D492-G497 PolarHBondContact OD2-N 3.4Å; D492-Q504 PolarHBondContact OD1-NE2 3.32Å
493C90.1Very high90.5Very high9 Ų961.3 Ų61.36%0.06132%0.315CS..THydrogen-bonded Turntrans-58.4-24.1-177-580000113.4P54 N55 S466 I491P54-C493 HydrophobicContact CG-CB 3.51Å; N55-C493 PolarHBondContact ND2-O 2.76Å; S466-C493 WeakPolarHBondContact OG-CA 3.45Å; S466-C493 WeakPolarHBondContact OG-CB 3.23Å; I491-C493 VanDerWaalsContact C-N 3.27Å; I491-C493 PolarHBondContact O-N 3.03Å
494L88.8Confident90.3Very high86 Ų8653.2 Ų53.245%0.4528%0.28SS..THydrogen-bonded Turntrans-100.45.9-176.6-62.9176.6000113.4P54 D492 K496P54-L494 HydrophobicContact CB-CD2 4.23Å; P54-L494 HydrophobicContact CG-CD2 4.41Å; D492-L494 PolarHBondContact O-N 3.26Å; L494-K496 VanDerWaalsContact C-N 3.27Å; L494-K496 HydrophobicContact CB-CG 4.18Å; L494-K496 PolarHBondContact O-N 3.24Å
495H88.1Confident90.2Very high129 Ų12953.5 Ų53.560%0.59728%0.281SS*.  trans52.239.4-178.9-56.5-74.4000114.1M468 D492 G497M468-H495 WeakPolarHBondContact CE-CE1 3.39Å; M468-H495 WeakPolarHBondContact CE-ND1 3.49Å; D492-H495 PolarHBondContact O-N 3.14Å; D492-H495 VanDerWaalsContact O-N 3.11Å; D492-H495 PolarHBondContact OD1-N 3.44Å; D492-H495 VanDerWaalsContact OD1-N 3.15Å; D492-H495 VanDerWaalsContact OD2-C 3.27Å; D492-H495 WeakPolarHBondContact OD2-CA 3.42Å; H495-G497 PolarHBondContact O-N 3.42Å
496K85.5Confident90.4Very high116 Ų11646.8 Ų46.850%0.50425%0.249SC..  trans-72.1-12.1176.3-64.9-172-168.8154.70113.6D492 L494 Q504D492-K496 VanDerWaalsContact CG-N 3.3Å; D492-K496 PolarHBondContact OD1-N 2.89Å; D492-K496 PolarHBondContact OD2-N 3.19Å; L494-K496 VanDerWaalsContact C-N 3.27Å; L494-K496 HydrophobicContact CB-CG 4.18Å; L494-K496 PolarHBondContact O-N 3.24Å; K496-Q504 HydrophobicContact CD-CG 4.3Å
497G86.8Confident90.5Very high74 Ų7445.7 Ų45.776%0.76324%0.243SC*.SBendtrans89.68.4177.400000114.8D492 H495D492-G497 PolarHBondContact OD2-N 3.4Å; H495-G497 PolarHBondContact O-N 3.42Å
498T87.1Confident90.7Very high37 Ų3745.8 Ų45.823%0.22724%0.241CC..  trans-132.8133.9175.2-178.20000110.4D500 Q503 Q504T498-D500 VanDerWaalsContact C-N 3.29Å; T498-D500 PolarHBondContact OG1-N 2.92Å; T498-Q503 HydrophobicContact CG2-CB 4.5Å; T498-Q503 PolarHBondContact OG1-OE1 3.36Å; T498-Q504 HydrophobicContact CG2-CG 3.68Å; T498-Q504 PolarHBondContact O-NE2 3.23Å
499N88.5Confident90.7Very high38 Ų3846.2 Ų46.220%0.20324%0.243CC..  trans-82.9-8.2173.8-64.990.8000112.7R480 L489 G490 M501R480-N499 PolarHBondContact NH1-OD1 3.25Å; L489-N499 CarbonylContact C-O 3.58Å; L489-N499 WeakPolarHBondContact CA-O 3.26Å; L489-N499 HydrophobicContact CD2-CB 4.24Å; G490-N499 PolarHBondContact N-O 3.27Å; G490-N499 WeakPolarHBondContact O-CB 3.32Å; G490-N499 PolarHBondContact O-ND2 3.39Å; N499-M501 VanDerWaalsContact O-CE 3.22Å; N499-M501 WeakPolarHBondContact O-CE 3.47Å; N499-M501 PolarHBondContact O-N 3.47Å
500D92.6Very high90.8Very high21 Ų2146.1 Ų46.111%0.11224%0.243CC..BIsolated β-bridgetrans-78.2105-176.5-171.5-8.1000110.8L489 T498 K502 Q503 Q504L489-D500 HydrophobicContact CD2-CB 4.16Å; T498-D500 VanDerWaalsContact C-N 3.29Å; T498-D500 PolarHBondContact OG1-N 2.92Å; D500-K502 PolarHBondContact O-N 3.14Å; D500-K502 VanDerWaalsContact OD1-CB 3.23Å; D500-K502 WeakPolarHBondContact OD1-CB 3.31Å; D500-K502 PolarHBondContact OD1-N 3.26Å; D500-Q503 HydrophobicContact CB-CB 4.2Å; D500-Q503 HydrophobicContact CB-CG 3.99Å; D500-Q503 WeakPolarHBondContact O-CB 3.36Å; D500-Q503 PolarHBondContact O-N 2.65Å; D500-Q503 VanDerWaalsContact O-N 3.11Å; D500-Q503 WeakPolarHBondContact OD2-CG 3.42Å; D500-Q503 PolarHBondContact OD2-NE2 3.47Å; D500-Q504 WeakPolarHBondContact O-CG 3.48Å; D500-Q504 PolarHBondContact O-N 3.37Å
501M92.8Very high90.8Very high3 Ų348.4 Ų48.42%0.01525%0.254CS..Hα-helixtrans-66.7-22.6-178.3-65-60.9105.200112.2Y420 G421 A424 A488 N499 Q504 H505 V506Y420-M501 HydrophobicContact CD1-CB 4.48Å; G421-M501 WeakPolarHBondContact O-CG 3.48Å; A424-M501 HydrophobicContact CB-CG 4.24Å; A488-M501 VanDerWaalsContact O-CB 3.25Å; A488-M501 WeakPolarHBondContact O-CB 3.24Å; A488-M501 WeakPolarHBondContact O-CG 3.25Å; A488-M501 PolarHBondContact O-N 3.21Å; N499-M501 VanDerWaalsContact O-CE 3.22Å; N499-M501 WeakPolarHBondContact O-CE 3.47Å; N499-M501 PolarHBondContact O-N 3.47Å; M501-Q504 HydrophobicContact CE-CG 4.18Å; M501-Q504 PolarHBondContact O-N 3.39Å; M501-H505 PolarHBondContact O-N 3.38Å; M501-V506 HydrophobicContact CB-CB 4.17Å; M501-V506 PolarHBondContact O-N 3.09Å; M501-V506 HydrophobicContact SD-CB 3.87Å; M501-V506 HydrophobicContact SD-CG1 4.14Å; M501-V506 HydrophobicContact SD-CG2 3.97Å
502K91.1Very high90.8Very high104 Ų10448.4 Ų48.445%0.45226%0.255SS..Hα-helixtrans-66.1-43.5171.8-171.7168.5-168.8152.10111.2D153 Y420 A488 D500 Q504 H505D153-K502 IonicContact OD2-NZ 2.8Å; D153-K502 PolarHBondContact OD2-NZ 3.45Å; Y420-K502 HydrophobicContact CD1-CB 3.91Å; Y420-K502 VanDerWaalsContact CE1-CA 3.46Å; Y420-K502 HydrophobicContact CE1-CB 3.43Å; Y420-K502 VanDerWaalsContact CE1-CB 3.43Å; Y420-K502 HydrophobicContact CE1-CD 4.12Å; Y420-K502 HydrophobicContact CE1-CG 3.56Å; Y420-K502 HydrophobicContact CE2-CB 4.44Å; Y420-K502 HydrophobicContact CE2-CD 4.26Å; Y420-K502 WeakPolarHBondContact OH-CD 3.42Å; Y420-K502 WeakPolarHBondContact OH-CE 3.28Å; Y420-K502 WeakPolarHBondContact OH-CG 2.9Å; Y420-K502 PolarHBondContact OH-NZ 3.17Å; A488-K502 HydrophobicContact CB-CB 4.18Å; D500-K502 PolarHBondContact O-N 3.14Å; D500-K502 VanDerWaalsContact OD1-CB 3.23Å; D500-K502 WeakPolarHBondContact OD1-CB 3.31Å; D500-K502 PolarHBondContact OD1-N 3.26Å; K502-Q504 VanDerWaalsContact C-N 3.34Å; K502-H505 PolarHBondContact O-N 3.49Å
503Q90.6Very high90.9Very high125 Ų12548.4 Ų48.458%0.58425%0.254SS*.Hα-helixtrans-70.1-33.2175.8-65.5173.922.900112T498 D500 H505T498-Q503 HydrophobicContact CG2-CB 4.5Å; T498-Q503 PolarHBondContact OG1-OE1 3.36Å; D500-Q503 HydrophobicContact CB-CB 4.2Å; D500-Q503 HydrophobicContact CB-CG 3.99Å; D500-Q503 WeakPolarHBondContact O-CB 3.36Å; D500-Q503 PolarHBondContact O-N 2.65Å; D500-Q503 VanDerWaalsContact O-N 3.11Å; D500-Q503 WeakPolarHBondContact OD2-CG 3.42Å; D500-Q503 PolarHBondContact OD2-NE2 3.47Å; Q503-H505 PolarHBondContact O-N 2.98Å
504Q89.6Confident91.2Very high15 Ų1549.9 Ų49.97%0.0726%0.26CS..Hα-helixtrans-77.2-8.8176.3-65.4-146.125.600114.5D492 K496 T498 D500 M501 K502 V506D492-Q504 PolarHBondContact OD1-NE2 3.32Å; K496-Q504 HydrophobicContact CD-CG 4.3Å; T498-Q504 HydrophobicContact CG2-CG 3.68Å; T498-Q504 PolarHBondContact O-NE2 3.23Å; D500-Q504 WeakPolarHBondContact O-CG 3.48Å; D500-Q504 PolarHBondContact O-N 3.37Å; M501-Q504 HydrophobicContact CE-CG 4.18Å; M501-Q504 PolarHBondContact O-N 3.39Å; K502-Q504 VanDerWaalsContact C-N 3.34Å; Q504-V506 VanDerWaalsContact C-N 3.29Å; Q504-V506 HydrophobicContact CB-CG2 3.86Å; Q504-V506 PolarHBondContact O-N 3.15Å
505H89.7Confident91.5Very high98 Ų9848.4 Ų48.445%0.45425%0.25SS..THydrogen-bonded Turntrans57.236.6-171.2-57.6-72.2000113.9Q167 T171 M501 K502 Q503 I507Q167-H505 HydrophobicContact CB-CB 4.41Å; T171-H505 PolarHBondContact OG1-O 2.98Å; T171-H505 VanDerWaalsContact OG1-O 3.13Å; M501-H505 PolarHBondContact O-N 3.38Å; K502-H505 PolarHBondContact O-N 3.49Å; Q503-H505 PolarHBondContact O-N 2.98Å; H505-I507 PolarHBondContact O-N 3.19Å
506V92.7Very high91.8Very high28 Ų2842.9 Ų42.917%0.1723%0.225CC..  trans-9096.3174.2179.60000108.1T171 G421 M501 Q504T171-V506 HydrophobicContact CG2-CG1 3.85Å; G421-V506 PolarHBondContact N-O 3.22Å; G421-V506 VanDerWaalsContact N-O 3.12Å; M501-V506 HydrophobicContact CB-CB 4.17Å; M501-V506 PolarHBondContact O-N 3.09Å; M501-V506 HydrophobicContact SD-CB 3.87Å; M501-V506 HydrophobicContact SD-CG1 4.14Å; M501-V506 HydrophobicContact SD-CG2 3.97Å; Q504-V506 VanDerWaalsContact C-N 3.29Å; Q504-V506 HydrophobicContact CB-CG2 3.86Å; Q504-V506 PolarHBondContact O-N 3.15Å
507I92.3Very high92.4Very high20 Ų2037.8 Ų37.810%0.10320%0.203CC..EExtended strand (participates in β ladder)trans-120.8133.2-169.4-56.3173.7000109.2T168 T171 V418 H505T168-I507 HydrophobicContact CG2-CG2 4.3Å; T171-I507 WeakPolarHBondContact CB-O 3.44Å; T171-I507 PolarHBondContact OG1-N 3.43Å; V418-I507 HydrophobicContact CB-CG2 3.48Å; V418-I507 VanDerWaalsContact CB-CG2 3.48Å; V418-I507 HydrophobicContact CG1-CG2 3.74Å; V418-I507 HydrophobicContact CG2-CG2 3.76Å; H505-I507 PolarHBondContact O-N 3.19Å
508E92.8Very high92.8Very high40 Ų4035.7 Ų35.719%0.18718%0.177CC..EExtended strand (participates in β ladder)trans-125.8157.3175.3-65.3-175-139.400110.4V418 V419 G421 K513V418-E508 WeakPolarHBondContact CA-O 3.17Å; V418-E508 WeakPolarHBondContact CB-O 3.23Å; V419-E508 HydrophobicContact CG2-CB 4.43Å; V419-E508 PolarHBondContact N-O 3.39Å; V419-E508 PolarHBondContact O-N 2.92Å; V419-E508 VanDerWaalsContact O-O 3.14Å; G421-E508 WeakPolarHBondContact CA-OE1 3.28Å; E508-K513 IonicContact OE1-NZ 3.54Å; E508-K513 WeakPolarHBondContact OE2-CE 3.47Å; E508-K513 IonicContact OE2-NZ 2.77Å; E508-K513 PolarHBondContact OE2-NZ 2.92Å
509T93.3Very high93.3Very high10 Ų1035.1 Ų35.16%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-78.3138.7-178.362.50000111.3V408 N411 L412 I511 G512 K513V408-T509 HydrophobicContact CG1-CG2 3.94Å; N411-T509 HydrophobicContact CB-CG2 4.15Å; L412-T509 HydrophobicContact CD2-CG2 3.82Å; L412-T509 HydrophobicContact CG-CG2 3.89Å; T509-I511 VanDerWaalsContact C-N 3.34Å; T509-I511 PolarHBondContact O-N 3.37Å; T509-G512 PolarHBondContact O-N 3.13Å; T509-G512 PolarHBondContact OG1-N 3.11Å; T509-K513 PolarHBondContact O-N 3.32Å
510L94.5Very high93.6Very high0 Ų033.3 Ų33.30%016%0.162CC..Hα-helixtrans-61.7-43.8177.9176.765.9000111.5L148 R417 V419 G512 K513 K514L148-L510 HydrophobicContact CB-CD1 3.71Å; R417-L510 HydrophobicContact CB-CB 3.95Å; R417-L510 HydrophobicContact CB-CD2 3.65Å; R417-L510 HydrophobicContact CB-CG 4.46Å; R417-L510 HydrophobicContact CG-CD2 4.39Å; R417-L510 WeakPolarHBondContact O-CB 3.28Å; R417-L510 PolarHBondContact O-N 3.13Å; R417-L510 VanDerWaalsContact O-N 3.12Å; V419-L510 HydrophobicContact CG1-CB 4.44Å; V419-L510 HydrophobicContact CG1-CD1 3.71Å; L510-G512 VanDerWaalsContact C-N 3.28Å; L510-G512 PolarHBondContact O-N 3.23Å; L510-K513 PolarHBondContact O-N 3.39Å; L510-K514 HydrophobicContact CD1-CD 4.38Å; L510-K514 HydrophobicContact CD1-CG 4.21Å; L510-K514 HydrophobicContact CG-CD 4.21Å; L510-K514 HydrophobicContact CG-CG 4.41Å; L510-K514 WeakPolarHBondContact O-CG 3.49Å; L510-K514 PolarHBondContact O-N 3.47Å
511I93.7Very high93.8Very high47 Ų4732.7 Ų32.724%0.24116%0.159CC..Hα-helixtrans-56.5-46.9177.6-59177.2000109.8I102 R414 D415 T509 K513 K514 Q515I102-I511 HydrophobicContact CD1-CG2 3.55Å; R414-I511 HydrophobicContact CB-CD1 4.48Å; D415-I511 HydrophobicContact CB-CD1 3.32Å; D415-I511 HydrophobicContact CB-CG1 3.71Å; T509-I511 VanDerWaalsContact C-N 3.34Å; T509-I511 PolarHBondContact O-N 3.37Å; I511-K513 PolarHBondContact O-N 2.94Å; I511-K514 PolarHBondContact O-N 2.9Å; I511-Q515 WeakPolarHBondContact O-CB 3.31Å; I511-Q515 PolarHBondContact O-N 3.41Å
512G93.8Very high94Very high2 Ų238.1 Ų38.12%0.02119%0.185CC..Hα-helixtrans-56.8-49.7-179.500000112.5T509 L510 Q515 Q516T509-G512 PolarHBondContact O-N 3.13Å; T509-G512 PolarHBondContact OG1-N 3.11Å; L510-G512 VanDerWaalsContact C-N 3.28Å; L510-G512 PolarHBondContact O-N 3.23Å; G512-Q515 PolarHBondContact O-N 2.9Å; G512-Q516 VanDerWaalsContact O-CG 3.29Å; G512-Q516 WeakPolarHBondContact O-CG 3.39Å; G512-Q516 PolarHBondContact O-N 3.41Å
513K94.7Very high94.2Very high14 Ų1434.2 Ų34.26%0.06117%0.168CC..Hα-helixtrans-64.1-42.2178.2-75.1-58-165.5-161.20113.6L148 V419 E426 E508 T509 L510 I511 Q515 Q516 I517L148-K513 HydrophobicContact CD1-CB 3.97Å; V419-K513 HydrophobicContact CG2-CB 4.3Å; V419-K513 HydrophobicContact CG2-CG 3.68Å; E426-K513 WeakPolarHBondContact OE1-CE 3.25Å; E426-K513 IonicContact OE1-NZ 3.79Å; E426-K513 PolarHBondContact OE1-NZ 3.16Å; E426-K513 IonicContact OE2-NZ 2.71Å; E508-K513 IonicContact OE1-NZ 3.54Å; E508-K513 WeakPolarHBondContact OE2-CE 3.47Å; E508-K513 IonicContact OE2-NZ 2.77Å; E508-K513 PolarHBondContact OE2-NZ 2.92Å; T509-K513 PolarHBondContact O-N 3.32Å; L510-K513 PolarHBondContact O-N 3.39Å; I511-K513 PolarHBondContact O-N 2.94Å; K513-Q515 VanDerWaalsContact C-N 3.31Å; K513-Q515 PolarHBondContact O-N 3.41Å; K513-Q516 PolarHBondContact O-N 3.37Å; K513-I517 WeakPolarHBondContact O-CG1 3.33Å; K513-I517 PolarHBondContact O-N 3.39Å; K513-I517 VanDerWaalsContact O-N 3.15Å
514K95.5Very high94.5Very high41 Ų4128.3 Ų28.318%0.17814%0.141CC..Hα-helixtrans-61.2-43.7176.6-74-174.9173.5-167.10111.7I145 L148 D149 L510 I511 I517 S518I145-K514 HydrophobicContact CG2-CD 3.95Å; I145-K514 HydrophobicContact CG2-CG 4.07Å; L148-K514 HydrophobicContact CD1-CG 4.04Å; D149-K514 VanDerWaalsContact OD1-CE 3.3Å; D149-K514 WeakPolarHBondContact OD1-CE 3.41Å; D149-K514 IonicContact OD1-NZ 3.55Å; D149-K514 PolarHBondContact OD1-NZ 3.11Å; D149-K514 WeakPolarHBondContact OD2-CE 3.28Å; D149-K514 IonicContact OD2-NZ 3.67Å; D149-K514 PolarHBondContact OD2-NZ 3.47Å; L510-K514 HydrophobicContact CD1-CD 4.38Å; L510-K514 HydrophobicContact CD1-CG 4.21Å; L510-K514 HydrophobicContact CG-CD 4.21Å; L510-K514 HydrophobicContact CG-CG 4.41Å; L510-K514 WeakPolarHBondContact O-CG 3.49Å; L510-K514 PolarHBondContact O-N 3.47Å; I511-K514 PolarHBondContact O-N 2.9Å; K514-I517 PolarHBondContact O-N 3.22Å; K514-S518 VanDerWaalsContact O-CB 3.31Å; K514-S518 WeakPolarHBondContact O-CB 3.45Å; K514-S518 PolarHBondContact O-N 3.1Å
515Q95.4Very high94.7Very high54 Ų5431.4 Ų31.425%0.25215%0.152SC..Hα-helixtrans-65.6-42.8-179.7-167.863.710.100111.2I102 I511 G512 K513 I517 S518 L519I102-Q515 HydrophobicContact CD1-CB 4.01Å; I102-Q515 HydrophobicContact CD1-CG 4.21Å; I102-Q515 HydrophobicContact CG1-CB 3.86Å; I102-Q515 HydrophobicContact CG1-CG 3.88Å; I511-Q515 WeakPolarHBondContact O-CB 3.31Å; I511-Q515 PolarHBondContact O-N 3.41Å; G512-Q515 PolarHBondContact O-N 2.9Å; K513-Q515 VanDerWaalsContact C-N 3.31Å; K513-Q515 PolarHBondContact O-N 3.41Å; Q515-I517 PolarHBondContact O-N 2.78Å; Q515-S518 PolarHBondContact O-N 2.97Å; Q515-L519 HydrophobicContact CG-CD1 3.79Å; Q515-L519 HydrophobicContact CG-CG 4.04Å; Q515-L519 WeakPolarHBondContact O-CB 3.36Å; Q515-L519 WeakPolarHBondContact O-CG 3.44Å; Q515-L519 PolarHBondContact O-N 3.26Å
516Q95.9Very high95Very high13 Ų1330.7 Ų30.76%0.06115%0.15CC..Hα-helixtrans-56-50.3175-72.3167.418.800112G105 V109 G512 K513 A520G105-Q516 VanDerWaalsContact CA-NE2 3.34Å; V109-Q516 HydrophobicContact CB-CB 4.46Å; V109-Q516 HydrophobicContact CB-CG 4.3Å; G512-Q516 VanDerWaalsContact O-CG 3.29Å; G512-Q516 WeakPolarHBondContact O-CG 3.39Å; G512-Q516 PolarHBondContact O-N 3.41Å; K513-Q516 PolarHBondContact O-N 3.37Å; Q516-A520 VanDerWaalsContact O-CB 3.22Å; Q516-A520 WeakPolarHBondContact O-CB 3.35Å; Q516-A520 PolarHBondContact O-N 2.68Å
517I96.1Very high95.1Very high9 Ų929.4 Ų29.45%0.04614%0.142CC..Hα-helixtrans-64.2-44.1-179.9-64.6178.4000110.8L112 A141 A144 I145 L148 F451 L455 K513 K514 Q515 T521L112-I517 HydrophobicContact CD2-CG1 4.16Å; A141-I517 HydrophobicContact CB-CG2 4.12Å; A144-I517 HydrophobicContact CB-CD1 4.28Å; I145-I517 HydrophobicContact CG1-CG2 4.46Å; L148-I517 HydrophobicContact CD1-CD1 3.79Å; F451-I517 HydrophobicContact CZ-CG2 3.87Å; L455-I517 HydrophobicContact CD2-CD1 4.36Å; K513-I517 WeakPolarHBondContact O-CG1 3.33Å; K513-I517 PolarHBondContact O-N 3.39Å; K513-I517 VanDerWaalsContact O-N 3.15Å; K514-I517 PolarHBondContact O-N 3.22Å; Q515-I517 PolarHBondContact O-N 2.78Å; I517-T521 WeakPolarHBondContact O-CB 3.4Å; I517-T521 PolarHBondContact O-N 2.99Å; I517-T521 PolarHBondContact O-OG1 2.67Å
518S96.3Very high95.2Very high30 Ų3028.6 Ų28.621%0.2114%0.138CC..Hα-helixtrans-63.3-52.1-179.8-177.70000112K514 Q515 T521 Q522K514-S518 VanDerWaalsContact O-CB 3.31Å; K514-S518 WeakPolarHBondContact O-CB 3.45Å; K514-S518 PolarHBondContact O-N 3.1Å; Q515-S518 PolarHBondContact O-N 2.97Å; S518-T521 PolarHBondContact O-N 3.32Å; S518-Q522 WeakPolarHBondContact O-CB 3.28Å; S518-Q522 VanDerWaalsContact O-CG 3.3Å; S518-Q522 WeakPolarHBondContact O-CG 3.31Å; S518-Q522 PolarHBondContact O-N 2.76Å
519L96.5Very high95.2Very high25 Ų2531.9 Ų31.913%0.13115%0.151CC..Hα-helixtrans-63.7-44.5-178.7-72.4-178.2000111.8L94 Q98 V109 Q515 T521 Q522 M523L94-L519 HydrophobicContact CD1-CB 3.69Å; Q98-L519 HydrophobicContact CB-CD1 4.25Å; V109-L519 HydrophobicContact CG2-CB 4.19Å; Q515-L519 HydrophobicContact CG-CD1 3.79Å; Q515-L519 HydrophobicContact CG-CG 4.04Å; Q515-L519 WeakPolarHBondContact O-CB 3.36Å; Q515-L519 WeakPolarHBondContact O-CG 3.44Å; Q515-L519 PolarHBondContact O-N 3.26Å; L519-T521 VanDerWaalsContact C-N 3.34Å; L519-T521 PolarHBondContact O-N 3.45Å; L519-Q522 PolarHBondContact O-N 2.96Å; L519-M523 WeakPolarHBondContact O-CB 3.31Å; L519-M523 PolarHBondContact O-N 3.12Å
520A96.7Very high95.1Very high0 Ų034 Ų340%016%0.162CC..Hα-helixtrans-58.6-47.5175.800000110.9V109 L112 A113 L116 Q516 Q522 M523 V524V109-A520 HydrophobicContact CG2-CB 4.13Å; L112-A520 HydrophobicContact CB-CB 4.29Å; L112-A520 HydrophobicContact CD2-CB 3.9Å; L112-A520 HydrophobicContact CG-CB 3.97Å; A113-A520 HydrophobicContact CB-CB 4.07Å; L116-A520 HydrophobicContact CD1-CB 4.26Å; Q516-A520 VanDerWaalsContact O-CB 3.22Å; Q516-A520 WeakPolarHBondContact O-CB 3.35Å; Q516-A520 PolarHBondContact O-N 2.68Å; A520-Q522 PolarHBondContact O-N 3.19Å; A520-M523 PolarHBondContact O-N 3.14Å; A520-V524 VanDerWaalsContact O-CG2 3.24Å; A520-V524 WeakPolarHBondContact O-CG2 2.98Å; A520-V524 PolarHBondContact O-N 3.42Å
521T96.6Very high94.9Very high8 Ų838.5 Ų38.55%0.04919%0.186CC..Hα-helixtrans-62.5-44.1179.7-55.10000112.2A141 F451 I517 S518 L519 V524 R525A141-T521 HydrophobicContact CB-CG2 3.83Å; A141-T521 WeakPolarHBondContact CB-OG1 3.26Å; F451-T521 HydrophobicContact CE2-CG2 4.44Å; F451-T521 WeakPolarHBondContact CE2-OG1 3.28Å; I517-T521 WeakPolarHBondContact O-CB 3.4Å; I517-T521 PolarHBondContact O-N 2.99Å; I517-T521 PolarHBondContact O-OG1 2.67Å; S518-T521 PolarHBondContact O-N 3.32Å; L519-T521 VanDerWaalsContact C-N 3.34Å; L519-T521 PolarHBondContact O-N 3.45Å; T521-V524 PolarHBondContact O-N 2.93Å; T521-R525 WeakPolarHBondContact O-CB 3.29Å; T521-R525 PolarHBondContact O-N 3.33Å
522Q96.1Very high94.6Very high118 Ų11838.5 Ų38.555%0.55119%0.186SC*.Hα-helixtrans-64.4-42.1178.6-731802.500111.9S518 L519 A520 R525 M526S518-Q522 WeakPolarHBondContact O-CB 3.28Å; S518-Q522 VanDerWaalsContact O-CG 3.3Å; S518-Q522 WeakPolarHBondContact O-CG 3.31Å; S518-Q522 PolarHBondContact O-N 2.76Å; L519-Q522 PolarHBondContact O-N 2.96Å; A520-Q522 PolarHBondContact O-N 3.19Å; Q522-R525 PolarHBondContact O-N 2.98Å; Q522-M526 PolarHBondContact O-N 3.23Å
523M95.6Very high94.3Very high22 Ų2239.8 Ų39.811%0.10819%0.192CC..Hα-helixtrans-62.8-47.6176.9-175.355.971.100111.2L90 L94 L519 A520 R525 M526 I527L90-M523 HydrophobicContact CB-CE 4.38Å; L90-M523 HydrophobicContact CB-SD 3.89Å; L90-M523 WeakPolarHBondContact O-CE 3.39Å; L94-M523 HydrophobicContact CB-CE 3.98Å; L94-M523 HydrophobicContact CB-CG 4.47Å; L94-M523 HydrophobicContact CD1-CB 4.09Å; L94-M523 HydrophobicContact CD2-CB 4.15Å; L94-M523 HydrophobicContact CD2-CG 4.07Å; L519-M523 WeakPolarHBondContact O-CB 3.31Å; L519-M523 PolarHBondContact O-N 3.12Å; A520-M523 PolarHBondContact O-N 3.14Å; M523-R525 VanDerWaalsContact C-N 3.32Å; M523-R525 PolarHBondContact O-N 3.45Å; M523-M526 HydrophobicContact CE-CE 4.01Å; M523-M526 WeakPolarHBondContact O-CB 3.49Å; M523-M526 PolarHBondContact O-N 3.27Å; M523-M526 VanDerWaalsContact O-N 3.08Å; M523-M526 HydrophobicContact SD-CE 3.42Å; M523-M526 WeakPolarHBondContact SD-CE 3.49Å; M523-I527 HydrophobicContact CG-CD1 3.92Å; M523-I527 WeakPolarHBondContact O-CG1 3.37Å; M523-I527 PolarHBondContact O-N 3.35Å; M523-I527 HydrophobicContact SD-CD1 4.25Å; M523-I527 HydrophobicContact SD-CG1 4.44Å
524V95.9Very high93.8Very high0 Ų047.1 Ų47.10%022%0.22CC..Hα-helixtrans-61.8-41.4177.9172.90000111.5A113 L116 L117 Y137 A520 T521 M526 I527 L528A113-V524 HydrophobicContact CB-CG2 4.19Å; L116-V524 HydrophobicContact CB-CG1 4.27Å; L116-V524 HydrophobicContact CB-CG2 3.83Å; L116-V524 HydrophobicContact CD1-CG2 4.18Å; L117-V524 HydrophobicContact CD1-CG2 4.38Å; L117-V524 HydrophobicContact CD2-CB 4.49Å; L117-V524 HydrophobicContact CD2-CG1 3.85Å; L117-V524 HydrophobicContact CD2-CG2 4.38Å; L117-V524 HydrophobicContact CG-CG1 4.16Å; L117-V524 HydrophobicContact CG-CG2 3.92Å; Y137-V524 HydrophobicContact CD2-CG1 3.9Å; Y137-V524 HydrophobicContact CE2-CG1 3.92Å; A520-V524 VanDerWaalsContact O-CG2 3.24Å; A520-V524 WeakPolarHBondContact O-CG2 2.98Å; A520-V524 PolarHBondContact O-N 3.42Å; T521-V524 PolarHBondContact O-N 2.93Å; V524-M526 VanDerWaalsContact C-N 3.27Å; V524-M526 PolarHBondContact O-N 2.91Å; V524-I527 PolarHBondContact O-N 3.21Å; V524-L528 HydrophobicContact CG1-CD1 3.85Å; V524-L528 HydrophobicContact CG1-CG 4.16Å; V524-L528 WeakPolarHBondContact O-CB 3.18Å; V524-L528 WeakPolarHBondContact O-CG 3.47Å; V524-L528 PolarHBondContact O-N 2.88Å
525R95.6Very high93Very high81 Ų8149.9 Ų49.931%0.30623%0.232SC..Hα-helixtrans-59.9-37.7174.2175.2170.2-175.5-144.26.1112.5A134 E138 T521 Q522 M523 K529A134-R525 HydrophobicContact CB-CB 4.32Å; A134-R525 HydrophobicContact CB-CG 3.94Å; E138-R525 IonicContact OE2-CZ 2.83Å; E138-R525 IonicContact OE2-NE 3.66Å; E138-R525 IonicContact OE2-NH1 2.7Å; E138-R525 PolarHBondContact OE2-NH1 3.04Å; E138-R525 IonicContact OE2-NH2 2.72Å; T521-R525 WeakPolarHBondContact O-CB 3.29Å; T521-R525 PolarHBondContact O-N 3.33Å; Q522-R525 PolarHBondContact O-N 2.98Å; M523-R525 VanDerWaalsContact C-N 3.32Å; M523-R525 PolarHBondContact O-N 3.45Å; R525-K529 VanDerWaalsContact O-CG 3.29Å; R525-K529 WeakPolarHBondContact O-CG 3.41Å; R525-K529 PolarHBondContact O-N 3.41Å
526M95.1Very high91.9Very high82 Ų8252.3 Ų52.340%0.40425%0.252SS..Hα-helixtrans-67.5-47.6174.9-175.7171.364.400110.9L90 Q522 M523 V524 L528 K529L90-M526 HydrophobicContact CD1-CE 3.91Å; L90-M526 HydrophobicContact CD2-CE 3.76Å; L90-M526 HydrophobicContact CG-CE 4.38Å; Q522-M526 PolarHBondContact O-N 3.23Å; M523-M526 HydrophobicContact CE-CE 4.01Å; M523-M526 WeakPolarHBondContact O-CB 3.49Å; M523-M526 PolarHBondContact O-N 3.27Å; M523-M526 VanDerWaalsContact O-N 3.08Å; M523-M526 HydrophobicContact SD-CE 3.42Å; M523-M526 WeakPolarHBondContact SD-CE 3.49Å; V524-M526 VanDerWaalsContact C-N 3.27Å; V524-M526 PolarHBondContact O-N 2.91Å; M526-L528 PolarHBondContact O-N 3.31Å; M526-K529 WeakPolarHBondContact O-CB 3.47Å; M526-K529 PolarHBondContact O-N 2.94Å; M526-K529 VanDerWaalsContact O-N 3.16Å
527I94.9Very high90.2Very high1 Ų153.1 Ų53.11%0.00526%0.264CS..Hα-helixtrans-61-44-179.4-64.9167.6000111.3H37 I87 L90 M91 L117 M523 V524 K529 I530H37-I527 HydrophobicContact CB-CG2 3.96Å; I87-I527 HydrophobicContact CD1-CG1 4.31Å; I87-I527 HydrophobicContact CD1-CG2 4.28Å; I87-I527 HydrophobicContact CG2-CD1 3.84Å; I87-I527 HydrophobicContact CG2-CG1 4.23Å; I87-I527 HydrophobicContact CG2-CG2 4.26Å; L90-I527 HydrophobicContact CD1-CG1 4.44Å; M91-I527 HydrophobicContact SD-CD1 4.36Å; L117-I527 HydrophobicContact CD1-CD1 3.83Å; L117-I527 HydrophobicContact CD1-CG2 4.43Å; L117-I527 HydrophobicContact CD2-CB 4.24Å; L117-I527 HydrophobicContact CD2-CG2 3.85Å; M523-I527 HydrophobicContact CG-CD1 3.92Å; M523-I527 WeakPolarHBondContact O-CG1 3.37Å; M523-I527 PolarHBondContact O-N 3.35Å; M523-I527 HydrophobicContact SD-CD1 4.25Å; M523-I527 HydrophobicContact SD-CG1 4.44Å; V524-I527 PolarHBondContact O-N 3.21Å; I527-K529 PolarHBondContact O-N 3.08Å; I527-I530 PolarHBondContact O-N 3.39Å; I527-I530 VanDerWaalsContact O-N 3.09Å
528L93.7Very high88.4Confident4 Ų461.8 Ų61.82%0.02130%0.304CS..Hα-helixtrans-66.1-18.3179.1-71176.5000114.1L117 A120 P130 I133 A134 V524 M526L117-L528 HydrophobicContact CD2-CD2 4.35Å; L117-L528 HydrophobicContact CD2-CG 4.44Å; A120-L528 HydrophobicContact CB-CD1 4.31Å; A120-L528 HydrophobicContact CB-CD2 4.03Å; P130-L528 HydrophobicContact CB-CB 4.4Å; P130-L528 VanDerWaalsContact CB-O 3.28Å; P130-L528 WeakPolarHBondContact CB-O 3.37Å; I133-L528 HydrophobicContact CB-CD1 4.29Å; I133-L528 HydrophobicContact CG2-CD1 3.93Å; A134-L528 HydrophobicContact CB-CD1 4.48Å; V524-L528 HydrophobicContact CG1-CD1 3.85Å; V524-L528 HydrophobicContact CG1-CG 4.16Å; V524-L528 WeakPolarHBondContact O-CB 3.18Å; V524-L528 WeakPolarHBondContact O-CG 3.47Å; V524-L528 PolarHBondContact O-N 2.88Å; M526-L528 PolarHBondContact O-N 3.31Å
529K92.8Very high86.3Confident109 Ų10964.2 Ų64.247%0.47432%0.322SS..THydrogen-bonded Turntrans-83.1-12.5175.1-74.2172.9-179.7-178.90113.1R525 M526 I527 D531R525-K529 VanDerWaalsContact O-CG 3.29Å; R525-K529 WeakPolarHBondContact O-CG 3.41Å; R525-K529 PolarHBondContact O-N 3.41Å; M526-K529 WeakPolarHBondContact O-CB 3.47Å; M526-K529 PolarHBondContact O-N 2.94Å; M526-K529 VanDerWaalsContact O-N 3.16Å; I527-K529 PolarHBondContact O-N 3.08Å; K529-D531 PolarHBondContact O-N 3.1Å
530I92.2Very high83.8Confident54 Ų5472.6 Ų72.628%0.27736%0.36SS..  trans-91.2104.6-177.3-56.3168.8000108.7L34 H37 I87 I527L34-I530 VanDerWaalsContact CD2-O 3.28Å; L34-I530 WeakPolarHBondContact CD2-O 3.43Å; H37-I530 PolarHBondContact CD2-O 3.19Å; H37-I530 WeakPolarHBondContact NE2-CG2 2.88Å; I87-I530 HydrophobicContact CD1-CD1 4.17Å; I527-I530 PolarHBondContact O-N 3.39Å; I527-I530 VanDerWaalsContact O-N 3.09Å
531D89.7Confident80.8Confident95 Ų9584.8 Ų84.851%0.50842%0.417SS..  trans-114.7-6.8-179.969.1-21.2000113.8M29 G30 K529M29-D531 CarbonylContact C-O 3.52Å; M29-D531 VanDerWaalsContact CA-O 3.29Å; M29-D531 WeakPolarHBondContact CA-O 3.35Å; G30-D531 PolarHBondContact N-O 2.98Å; K529-D531 PolarHBondContact O-N 3.1Å
532D88.3Confident80Confident47 Ų4788.7 Ų88.725%0.25144%0.436SS..EExtended strand (participates in β ladder)trans-132.9113.6178.7-175.316.7000110.8R27 R534R27-D532 VanDerWaalsContact CG-OD1 3.28Å; R27-D532 WeakPolarHBondContact CG-OD1 3.35Å; R27-D532 IonicContact CZ-OD1 3.61Å; R27-D532 IonicContact CZ-OD2 3.32Å; R27-D532 VanDerWaalsContact CZ-OD2 3.32Å; R27-D532 IonicContact NE-OD1 2.76Å; R27-D532 PolarHBondContact NE-OD1 3.05Å; R27-D532 IonicContact NE-OD2 3.19Å; R27-D532 PolarHBondContact NE-OD2 2.83Å; R27-D532 IonicContact NH2-OD1 3.61Å; R27-D532 IonicContact NH2-OD2 2.68Å; R27-D532 PolarHBondContact NH2-OD2 3Å; D532-R534 IonicContact OD2-CZ 3.73Å; D532-R534 IonicContact OD2-NE 3.42Å; D532-R534 PolarHBondContact OD2-NE 2.97Å; D532-R534 IonicContact OD2-NH2 3.14Å; D532-R534 PolarHBondContact OD2-NH2 2.91Å; D532-R534 VanDerWaalsContact OD2-NH2 3.14Å
533I86.2Confident79.2Confident28 Ų2887.1 Ų87.114%0.14443%0.429CS..EExtended strand (participates in β ladder)trans-108.1132.5175.9-46.5161.9000108.5R27 L28 A33 H37 K535R27-I533 VanDerWaalsContact CA-O 3.26Å; R27-I533 WeakPolarHBondContact CA-O 3.44Å; L28-I533 HydrophobicContact CB-CB 4.4Å; L28-I533 HydrophobicContact CB-CD1 4.06Å; L28-I533 HydrophobicContact CD1-CD1 4.08Å; L28-I533 PolarHBondContact N-O 2.77Å; L28-I533 VanDerWaalsContact N-O 3.1Å; L28-I533 PolarHBondContact O-N 3.03Å; A33-I533 HydrophobicContact CB-CD1 4.06Å; A33-I533 HydrophobicContact CB-CG1 4.25Å; H37-I533 WeakPolarHBondContact CE1-CD1 3.41Å; H37-I533 VanDerWaalsContact CE1-CG1 3.4Å; H37-I533 WeakPolarHBondContact CE1-CG1 3.39Å; I533-K535 HydrophobicContact CG2-CG 4.3Å
534R84.2Confident78.3Confident169 Ų16990.7 Ų90.764%0.63845%0.447SS*.EExtended strand (participates in β ladder)trans-120.9116.9170.3-61.5179.4-169.5175.65109.2R27 D532R27-R534 HydrophobicContact CG-CG 4.23Å; D532-R534 IonicContact OD2-CZ 3.73Å; D532-R534 IonicContact OD2-NE 3.42Å; D532-R534 PolarHBondContact OD2-NE 2.97Å; D532-R534 IonicContact OD2-NH2 3.14Å; D532-R534 PolarHBondContact OD2-NH2 2.91Å; D532-R534 VanDerWaalsContact OD2-NH2 3.14Å
535K78.9Confident77.2Confident98 Ų9896.1 Ų96.143%0.42647%0.474SS..EExtended strand (participates in β ladder)trans-99.9129171.2-60.6-177.5178.9-177.80109K25 S26 I533K25-K535 VanDerWaalsContact CA-O 3.31Å; K25-K535 WeakPolarHBondContact CA-O 3.46Å; S26-K535 PolarHBondContact N-O 3.18Å; S26-K535 PolarHBondContact O-N 3.23Å; S26-K535 WeakPolarHBondContact OG-CB 3.28Å; I533-K535 HydrophobicContact CG2-CG 4.3Å
536P71.7Confident76.1Confident105 Ų10597 Ų9768%0.68248%0.484SS*.PPolyproline II helixtrans-60.8138.2163.328.2-30.9000107.9
537G61.1Low74.8Confident31 Ų3198 Ų9832%0.3249%0.489SS..PPolyproline II helixtrans-62.8138.6167.300000108.5R24 S539R24-G537 WeakPolarHBondContact O-CA 3.47Å; R24-G537 PolarHBondContact O-N 3Å; G537-S539 PolarHBondContact O-N 3.42Å; G537-S539 VanDerWaalsContact O-N 3.12Å
538E57.8Low73.4Confident190 Ų190104.9 Ų104.989%0.88852%0.524SS*.PPolyproline II helixtrans-53.9120.6168.4-69.9172-176.900107.2E540E538-E540 PolarHBondContact O-N 3.47Å
539S53.7Low71.8Confident82 Ų82112.7 Ų112.757%0.57356%0.563SS**PPolyproline II helixtrans-62.5116.6160.742.50000105.6G537 E541G537-S539 PolarHBondContact O-N 3.42Å; G537-S539 VanDerWaalsContact O-N 3.12Å; S539-E541 VanDerWaalsContact C-N 3.29Å; S539-E541 PolarHBondContact O-N 3.42Å
540E42.5Very low70.1Confident200 Ų200113 Ų11394%0.93557%0.57SS**  trans-54.1102.4159.8-69.8178.6164.300106.4E538E538-E540 PolarHBondContact O-N 3.47Å
541E34.7Very low68.1Low257 Ų257118.4 Ų118.4100%1.20160%0.597SS**  trans-81.40159.5-79.1-167.7162.300109.6S539S539-E541 VanDerWaalsContact C-N 3.29Å; S539-E541 PolarHBondContact O-N 3.42Å

Retrieved 541 of 541 residues in 169.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).