A0A087YFP3_POEFO Loading...

Cleavage stimulation factor subunit 2 tau variant

AlphaFold DB , UniProt , Accession A0A087YFP3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 315 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.8Very low41.9Very low250 Ų250120.5 Ų120.5100%1.23280%0.8SS**  0135.10-71.8166.3177.300106.9
2A41.1Very low41.7Very low94 Ų94117.1 Ų117.178%0.77779%0.788SS**  trans-91.8158.4-156.300000114.9
3N43.6Very low42Very low166 Ų166112.5 Ų112.589%0.88876%0.764SS**  trans-57131.6174.4-74.7-21.5000112.2
4V44.5Very low42.2Very low138 Ų138109.7 Ų109.784%0.83675%0.753SS**  trans-124.811.8173.7-81.60000113.4
5A41.8Very low42.2Very low96 Ų96107.8 Ų107.879%0.79375%0.747SS**SBendtrans-90.2-0.7-173.300000115.9
6A42.4Very low42.5Very low89 Ų89106.3 Ų106.374%0.73674%0.744SS**SBendtrans-98.4-4.2-171.500000115.4
7A40.1Very low42.9Very low85 Ų85102.8 Ų102.870%0.70272%0.723SS**SBendtrans-93.7-6.7-163.500000116.2
8T38.2Very low43Very low124 Ų124102.4 Ų102.476%0.76173%0.726SS**SBendtrans-103.7-7.2-167.436.20000116.2
9V42.5Very low43.2Very low122 Ų122105.5 Ų105.574%0.73973%0.734SS**SBendtrans-88.4-24.2178.8-68.50000114.1A11V9-A11 VanDerWaalsContact C-N 3.3Å; V9-A11 PolarHBondContact O-N 3.3Å
10A44.8Very low43.9Very low79 Ų79105.3 Ų105.365%0.65372%0.716SS**Hα-helixtrans-69.2-21.4-176.400000114.7
11A40.3Very low45Very low82 Ų82105.3 Ų105.368%0.67871%0.709SS**Hα-helixtrans-78.8-19.1-173.700000114.4V9V9-A11 VanDerWaalsContact C-N 3.3Å; V9-A11 PolarHBondContact O-N 3.3Å
12A39.2Very low46Very low80 Ų8098.6 Ų98.666%0.66168%0.684SS**Hα-helixtrans-82.7-32.6-174.400000113.5
13A45.7Very low47.2Very low57 Ų5796.8 Ų96.847%0.47167%0.669SS.*Hα-helixtrans-70.8-34.6-178.500000113A15 A16A13-A15 VanDerWaalsContact C-N 3.26Å; A13-A15 PolarHBondContact O-N 3.29Å; A13-A16 PolarHBondContact O-N 3.01Å
14A45.2Very low48.4Very low74 Ų7489.8 Ų89.861%0.61263%0.632SS**G310 helixtrans-62.9-27.3-176.200000114.1A16A14-A16 PolarHBondContact O-N 2.95Å
15A42.6Very low49.7Very low81 Ų8184.5 Ų84.567%0.66960%0.599SS**G310 helixtrans-74.2-22.7-177.800000113.8A13A13-A15 VanDerWaalsContact C-N 3.26Å; A13-A15 PolarHBondContact O-N 3.29Å
16A46.2Very low51.4Low84 Ų8486.4 Ų86.469%0.69459%0.586SS**G310 helixtrans-80.8-16.2-179.200000113.7A13 A14A13-A16 PolarHBondContact O-N 3.01Å; A14-A16 PolarHBondContact O-N 2.95Å
17A49.5Very low53.1Low47 Ų4783 Ų8339%0.38856%0.557SS.*G310 helixtrans-78.6-15.5-175.400000114.2N19A17-N19 PolarHBondContact O-N 3.18Å; A17-N19 VanDerWaalsContact O-N 3.11Å
18A45.3Very low55.1Low95 Ų9579.4 Ų79.479%0.78553%0.526SS*.G310 helixtrans-74-1.1-167.300000116.2
19N46.5Very low57.3Low161 Ų16176.9 Ų76.986%0.86150%0.502SS*.G310 helixtrans-135.427.9-176.3-158.635.6000113.5A17A17-N19 PolarHBondContact O-N 3.18Å; A17-N19 VanDerWaalsContact O-N 3.11Å
20R57.3Low59.5Low101 Ų10171.9 Ų71.938%0.38147%0.473SS..SBendtrans-113.8146.3172-89.5-179.2163.2170-5.8110.4T119R20-T119 PolarHBondContact NH2-OG1 3.2Å
21D65.9Low61.6Low107 Ų10768.1 Ų68.157%0.57244%0.442SS*.  trans-55.7131.2173.9-66-89.4000111.3A23 V24 D25D21-A23 PolarHBondContact O-N 3.42Å; D21-A23 VanDerWaalsContact O-N 3.08Å; D21-V24 HydrophobicContact CB-CB 4.44Å; D21-V24 HydrophobicContact CB-CG2 4.07Å; D21-V24 PolarHBondContact O-N 2.77Å; D21-D25 PolarHBondContact O-N 3.43Å
22P64.3Low64Low108 Ų10866.5 Ų66.570%0.70142%0.42SS*.Hα-helixtrans-64.3-20.7-173.524.6-34.3000113.1R26P22-R26 VanDerWaalsContact O-CB 3.29Å; P22-R26 WeakPolarHBondContact O-CB 3.49Å; P22-R26 PolarHBondContact O-N 2.81Å; P22-R26 VanDerWaalsContact O-N 3.13Å
23A66.1Low66.4Low57 Ų5762.7 Ų62.747%0.47139%0.388SS..Hα-helixtrans-72.2-39.8172.700000112.6D21 S27D21-A23 PolarHBondContact O-N 3.42Å; D21-A23 VanDerWaalsContact O-N 3.08Å; A23-S27 WeakPolarHBondContact O-CB 3.48Å; A23-S27 PolarHBondContact O-N 2.97Å; A23-S27 VanDerWaalsContact O-N 3.15Å; A23-S27 PolarHBondContact O-OG 3.33Å
24V67.9Low68.5Low19 Ų1960.2 Ų60.212%0.11537%0.368CS..Hα-helixtrans-71.1-47.7177.3179.70000109.4D21 R26 S27 L28 L114D21-V24 HydrophobicContact CB-CB 4.44Å; D21-V24 HydrophobicContact CB-CG2 4.07Å; D21-V24 PolarHBondContact O-N 2.77Å; V24-R26 PolarHBondContact O-N 3.28Å; V24-S27 CarbonylContact O-C 3.58Å; V24-S27 WeakPolarHBondContact O-CA 3.37Å; V24-S27 WeakPolarHBondContact O-CB 3.43Å; V24-S27 PolarHBondContact O-N 2.83Å; V24-L28 HydrophobicContact CG1-CD1 3.88Å; V24-L28 HydrophobicContact CG1-CG 4.25Å; V24-L28 WeakPolarHBondContact O-CB 3.17Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.24Å; V24-L28 PolarHBondContact O-N 3.42Å; V24-L114 HydrophobicContact CG1-CD1 4.27Å; V24-L114 HydrophobicContact CG1-CD2 4.15Å; V24-L114 HydrophobicContact CG1-CG 4.2Å
25D72.5Confident70.5Confident26 Ų2660.7 Ų60.714%0.13936%0.36CS..Hα-helixtrans-57.7-45.4177.4176.9-92.8000112.6D21 S27 L28 R29D21-D25 PolarHBondContact O-N 3.43Å; D25-S27 VanDerWaalsContact C-N 3.3Å; D25-S27 PolarHBondContact O-N 3.18Å; D25-L28 WeakPolarHBondContact O-CB 3.49Å; D25-L28 PolarHBondContact O-N 3.22Å; D25-R29 WeakPolarHBondContact O-CG 3.5Å; D25-R29 PolarHBondContact O-N 3.26Å; D25-R29 IonicContact OD1-CZ 3.86Å; D25-R29 IonicContact OD1-NE 2.66Å; D25-R29 PolarHBondContact OD1-NE 3.07Å; D25-R29 IonicContact OD1-NH2 2.66Å; D25-R29 PolarHBondContact OD1-NH2 2.66Å; D25-R29 IonicContact OD2-NE 2.76Å
26R76.6Confident72.7Confident136 Ų13657 Ų5751%0.51333%0.329SS..Hα-helixtrans-61.5-38.3173.9-169.9176.2-179.3-134.5-9112.4P22 V24 R29 S30 E76P22-R26 VanDerWaalsContact O-CB 3.29Å; P22-R26 WeakPolarHBondContact O-CB 3.49Å; P22-R26 PolarHBondContact O-N 2.81Å; P22-R26 VanDerWaalsContact O-N 3.13Å; V24-R26 PolarHBondContact O-N 3.28Å; R26-R29 PolarHBondContact O-N 3.28Å; R26-S30 WeakPolarHBondContact O-CB 3.12Å; R26-S30 PolarHBondContact O-N 3.42Å; R26-S30 VanDerWaalsContact O-N 3.14Å; R26-S30 PolarHBondContact O-OG 3.22Å; R26-E76 IonicContact CZ-OE1 3.12Å; R26-E76 IonicContact CZ-OE2 2.66Å; R26-E76 IonicContact NE-OE1 2.85Å; R26-E76 PolarHBondContact NE-OE1 2.94Å; R26-E76 IonicContact NE-OE2 3.25Å; R26-E76 PolarHBondContact NE-OE2 3.41Å; R26-E76 IonicContact NH2-OE1 3.88Å; R26-E76 IonicContact NH2-OE2 3.88Å; R26-E76 PolarHBondContact NH2-OE2 2.76Å
27S78.7Confident74.4Confident19 Ų1953.3 Ų53.313%0.13330%0.298CS..Hα-helixtrans-68.5-33.8177.1-59.40000112.7A23 V24 D25 S30 N104A23-S27 WeakPolarHBondContact O-CB 3.48Å; A23-S27 PolarHBondContact O-N 2.97Å; A23-S27 VanDerWaalsContact O-N 3.15Å; A23-S27 PolarHBondContact O-OG 3.33Å; V24-S27 CarbonylContact O-C 3.58Å; V24-S27 WeakPolarHBondContact O-CA 3.37Å; V24-S27 WeakPolarHBondContact O-CB 3.43Å; V24-S27 PolarHBondContact O-N 2.83Å; D25-S27 VanDerWaalsContact C-N 3.3Å; D25-S27 PolarHBondContact O-N 3.18Å; S27-S30 PolarHBondContact O-N 3.18Å; S27-N104 PolarHBondContact O-ND2 3.47Å
28L81Confident76Confident9 Ų957.9 Ų57.95%0.04731%0.306CS..Hα-helixtrans-71.1-30.3175.5-73.2170.9000112.6V24 D25 S30 Q80 L114V24-L28 HydrophobicContact CG1-CD1 3.88Å; V24-L28 HydrophobicContact CG1-CG 4.25Å; V24-L28 WeakPolarHBondContact O-CB 3.17Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.24Å; V24-L28 PolarHBondContact O-N 3.42Å; D25-L28 WeakPolarHBondContact O-CB 3.49Å; D25-L28 PolarHBondContact O-N 3.22Å; L28-S30 VanDerWaalsContact C-N 3.35Å; L28-Q80 HydrophobicContact CB-CG 4.41Å; L28-L114 HydrophobicContact CD2-CD2 3.73Å; L28-L114 HydrophobicContact CG-CD2 4.32Å
29R85.4Confident77.8Confident70 Ų7061.5 Ų61.526%0.26431%0.307SS..THydrogen-bonded Turntrans-86.3-2.6172.6-64.7-167.4-82.6152.70.8114.1D25 R26 Y77 Q78 Q80D25-R29 WeakPolarHBondContact O-CG 3.5Å; D25-R29 PolarHBondContact O-N 3.26Å; D25-R29 IonicContact OD1-CZ 3.86Å; D25-R29 IonicContact OD1-NE 2.66Å; D25-R29 PolarHBondContact OD1-NE 3.07Å; D25-R29 IonicContact OD1-NH2 2.66Å; D25-R29 PolarHBondContact OD1-NH2 2.66Å; D25-R29 IonicContact OD2-NE 2.76Å; R26-R29 PolarHBondContact O-N 3.28Å; R29-Y77 PolarHBondContact O-N 3.34Å; R29-Q78 WeakPolarHBondContact CD-O 3.42Å; R29-Q78 PolarHBondContact NH1-O 3.38Å; R29-Q80 HydrophobicContact CG-CB 4Å
30S87.8Confident79.4Confident17 Ų1754.2 Ų54.212%0.11927%0.269CS..EExtended strand (participates in β ladder)trans-101.3138.2-179.2-62.80000111.9R26 S27 L28 C75 A105R26-S30 WeakPolarHBondContact O-CB 3.12Å; R26-S30 PolarHBondContact O-N 3.42Å; R26-S30 VanDerWaalsContact O-N 3.14Å; R26-S30 PolarHBondContact O-OG 3.22Å; S27-S30 PolarHBondContact O-N 3.18Å; L28-S30 VanDerWaalsContact C-N 3.35Å; S30-C75 CarbonylContact C-O 3.58Å; S30-C75 WeakPolarHBondContact CA-O 3.47Å; S30-A105 WeakPolarHBondContact O-CB 3.02Å; S30-A105 PolarHBondContact O-N 2.85Å
31V89.8Confident80.7Confident0 Ų052.5 Ų52.50%027%0.27CS..EExtended strand (participates in β ladder)trans-123.6127.8-174.7178.10000109.4F49 C75 Y77 A83 M87 V102 D103V31-F49 HydrophobicContact CG1-CE1 4.25Å; V31-C75 PolarHBondContact N-O 3.23Å; V31-C75 PolarHBondContact O-N 2.94Å; V31-Y77 HydrophobicContact CB-CE2 4.36Å; V31-Y77 HydrophobicContact CG2-CD2 3.83Å; V31-Y77 HydrophobicContact CG2-CE2 3.89Å; V31-A83 HydrophobicContact CG2-CB 3.55Å; V31-M87 HydrophobicContact CG1-CG 4.01Å; V31-M87 HydrophobicContact CG2-CG 4.34Å; V31-V102 HydrophobicContact CG1-CG1 3.23Å; V31-D103 CarbonylContact C-O 3.49Å
32F90.4Very high81.6Confident49 Ų4950.9 Ų50.922%0.21526%0.259CS..EExtended strand (participates in β ladder)trans-83.4133.4173.5169.1-94.9000108.9Y72 F74 V102 D103 A105F32-Y72 AromaticContact CE2-CD2 3.84Å; F32-Y72 HydrophobicContact CE2-CD2 3.84Å; F32-Y72 HydrophobicContact CE2-CG 4.08Å; F32-Y72 HydrophobicContact CZ-CG 4.42Å; F32-F74 HydrophobicContact CB-CE1 4.47Å; F32-F74 HydrophobicContact CD2-CD1 4.28Å; F32-F74 AromaticContact CD2-CE1 3.77Å; F32-F74 HydrophobicContact CD2-CE1 3.77Å; F32-F74 HydrophobicContact CD2-CZ 4.14Å; F32-V102 WeakPolarHBondContact O-CA 3.41Å; F32-D103 HydrophobicContact CB-CB 4.37Å; F32-D103 HydrophobicContact CD1-CB 3.94Å; F32-D103 PolarHBondContact N-O 3.49Å; F32-D103 PolarHBondContact O-N 2.66Å; F32-A105 HydrophobicContact CB-CB 4.29Å
33V89.8Confident82.7Confident0 Ų053.1 Ų53.10%026%0.26CS..EExtended strand (participates in β ladder)trans-120.6119.5177.3-1670000107.9I36 L45 F49 F58 Y72 G73 C75 R101V33-I36 HydrophobicContact CB-CD1 4.07Å; V33-I36 HydrophobicContact CG1-CD1 3.8Å; V33-I36 HydrophobicContact CG1-CG1 3.89Å; V33-L45 HydrophobicContact CG1-CD2 4.42Å; V33-F49 HydrophobicContact CB-CZ 4.17Å; V33-F49 HydrophobicContact CG1-CE2 4.14Å; V33-F49 HydrophobicContact CG1-CZ 3.7Å; V33-F49 HydrophobicContact CG2-CD1 4.41Å; V33-F49 HydrophobicContact CG2-CE1 3.41Å; V33-F49 VanDerWaalsContact CG2-CE1 3.41Å; V33-F49 HydrophobicContact CG2-CE2 4.27Å; V33-F49 HydrophobicContact CG2-CZ 3.33Å; V33-F58 HydrophobicContact CG2-CE2 4.33Å; V33-F58 HydrophobicContact CG2-CZ 4.48Å; V33-Y72 CarbonylContact O-C 3.55Å; V33-Y72 WeakPolarHBondContact O-CA 3.5Å; V33-Y72 WeakPolarHBondContact O-CB 3.14Å; V33-G73 PolarHBondContact N-O 2.88Å; V33-G73 PolarHBondContact O-N 2.83Å; V33-C75 HydrophobicContact CG2-CB 4.27Å; V33-R101 CarbonylContact C-O 3.51Å; V33-R101 WeakPolarHBondContact CA-O 3.3Å
34G89.2Confident83.7Confident4 Ų455 Ų554%0.04126%0.259CS..EExtended strand (participates in β ladder)trans-129.2175.3-178.100000112.7I36 G71 R101G34-I36 PolarHBondContact O-N 2.89Å; G34-G71 CarbonylContact C-O 3.58Å; G34-R101 PolarHBondContact N-O 3.49Å; G34-R101 PolarHBondContact O-N 2.96Å
35N88.6Confident84.6Confident85 Ų8554 Ų5446%0.45525%0.253SS..SBendtrans5724.5-173.7-159.453.7000114.3G71 A99 R101N35-G71 PolarHBondContact N-O 3.41Å; N35-A99 PolarHBondContact ND2-O 3.25Å; N35-R101 HydrophobicContact CB-CB 4.4Å
36I87.5Confident85.4Confident2 Ų258 Ų581%0.0127%0.269CS..  trans-65.7131.6177.9-55.8174.6000108.7V33 G34 A40 L45 L60 G71 L100V33-I36 HydrophobicContact CB-CD1 4.07Å; V33-I36 HydrophobicContact CG1-CD1 3.8Å; V33-I36 HydrophobicContact CG1-CG1 3.89Å; G34-I36 PolarHBondContact O-N 2.89Å; I36-A40 HydrophobicContact CG2-CB 3.35Å; I36-L45 HydrophobicContact CD1-CD1 3.97Å; I36-L45 HydrophobicContact CD1-CD2 4.36Å; I36-L45 HydrophobicContact CG1-CD2 4.4Å; I36-L45 HydrophobicContact CG2-CD1 3.81Å; I36-L45 HydrophobicContact CG2-CD2 4.3Å; I36-L60 HydrophobicContact CD1-CD1 4.4Å; I36-G71 WeakPolarHBondContact CB-O 3.3Å; I36-G71 PolarHBondContact N-O 3.33Å; I36-G71 VanDerWaalsContact O-CA 3.27Å; I36-G71 WeakPolarHBondContact O-CA 3.44Å; I36-L100 HydrophobicContact CG1-CD2 4.25Å
37P83.3Confident85.9Confident7 Ų756.7 Ų56.75%0.04527%0.273CS..  trans-66.7149.617424.6-29000111.3E39 A40 F95P37-E39 PolarHBondContact O-N 2.8Å; P37-E39 VanDerWaalsContact O-N 3.11Å; P37-A40 HydrophobicContact CG-CB 4.18Å; P37-A40 VanDerWaalsContact O-CB 3.25Å; P37-A40 WeakPolarHBondContact O-CB 3.39Å; P37-A40 PolarHBondContact O-N 2.66Å; P37-F95 HydrophobicContact CG-CD1 3.49Å; P37-F95 VanDerWaalsContact CG-CD1 3.49Å; P37-F95 HydrophobicContact CG-CE1 3.72Å
38Y82.9Confident86.3Confident143 Ų14356.9 Ų56.956%0.56127%0.272SS*.THydrogen-bonded Turntrans-65.7-16.4-176.2-57.9-76.6000114.2P69Y38-P69 HydrophobicContact CD1-CG 4.14Å; Y38-P69 WeakPolarHBondContact CD1-O 3.47Å; Y38-P69 VanDerWaalsContact CE1-O 3.23Å; Y38-P69 WeakPolarHBondContact CE1-O 3.37Å; Y38-P69 WeakPolarHBondContact O-CG 3.41Å
39E81.4Confident86.6Confident171 Ų17156.4 Ų56.480%0.79927%0.269SS*.THydrogen-bonded Turntrans-88.2-5.2176.3-63.8170.5103.300112.8P37P37-E39 PolarHBondContact O-N 2.8Å; P37-E39 VanDerWaalsContact O-N 3.11Å
40A80.3Confident86.7Confident8 Ų856 Ų567%0.06628%0.277CS..  trans-71.2130.1176.800000111.5I36 P37 L45 F95I36-A40 HydrophobicContact CG2-CB 3.35Å; P37-A40 HydrophobicContact CG-CB 4.18Å; P37-A40 VanDerWaalsContact O-CB 3.25Å; P37-A40 WeakPolarHBondContact O-CB 3.39Å; P37-A40 PolarHBondContact O-N 2.66Å; A40-L45 HydrophobicContact CB-CD1 4.09Å; A40-L45 HydrophobicContact CB-CG 4.45Å; A40-F95 HydrophobicContact CB-CD1 4.43Å; A40-F95 HydrophobicContact CB-CE1 3.63Å; A40-F95 HydrophobicContact CB-CZ 4.44Å
41T84.5Confident86.7Confident65 Ų6562 Ų6240%0.39930%0.303SS..  trans-90155.1166.2620000110.9E43 Q44 L45T41-E43 PolarHBondContact O-N 3.4Å; T41-Q44 PolarHBondContact O-N 2.73Å; T41-Q44 PolarHBondContact OG1-N 2.84Å; T41-L45 WeakPolarHBondContact O-CD1 3.48Å; T41-L45 PolarHBondContact O-N 2.8Å
42E85.7Confident86.4Confident74 Ų7463.9 Ų63.935%0.34632%0.315SS..Hα-helixtrans-57.1-36.3171174.8162111.500111.6L45 K46 F58 L60E42-L45 PolarHBondContact O-N 3.19Å; E42-K46 VanDerWaalsContact O-CB 3.24Å; E42-K46 WeakPolarHBondContact O-CB 3.14Å; E42-K46 PolarHBondContact O-N 3.47Å; E42-F58 HydrophobicContact CB-CD1 4.39Å; E42-F58 HydrophobicContact CG-CB 4.09Å; E42-F58 HydrophobicContact CG-CD1 3.57Å; E42-F58 HydrophobicContact CG-CE1 4.36Å; E42-F58 HydrophobicContact CG-CG 4.1Å; E42-F58 WeakPolarHBondContact OE2-CD1 3.23Å; E42-L60 PolarHBondContact OE2-N 3.41Å; E42-L60 VanDerWaalsContact OE2-N 3.13Å
43E86.8Confident86.1Confident155 Ų15562.4 Ų62.472%0.72431%0.314SS*.Hα-helixtrans-61.4-45.4177.2-65.1168.2100.500112.4T41 K46 D47T41-E43 PolarHBondContact O-N 3.4Å; E43-K46 PolarHBondContact O-N 2.94Å; E43-D47 PolarHBondContact O-N 2.76Å
44Q87.4Confident86Confident95 Ų9567.8 Ų67.844%0.44434%0.341SS..Hα-helixtrans-68.4-37.7-179.8-157.483.482.200111.9T41 I48 F95T41-Q44 PolarHBondContact O-N 2.73Å; T41-Q44 PolarHBondContact OG1-N 2.84Å; Q44-I48 WeakPolarHBondContact O-CD1 3.27Å; Q44-I48 VanDerWaalsContact O-CG1 3.3Å; Q44-I48 WeakPolarHBondContact O-CG1 3.31Å; Q44-I48 PolarHBondContact O-N 2.9Å; Q44-F95 HydrophobicContact CB-CZ 4.26Å; Q44-F95 HydrophobicContact CG-CE2 3.64Å; Q44-F95 HydrophobicContact CG-CZ 3.67Å
45L87.4Confident86Confident0 Ų068.6 Ų68.60%035%0.346CS..Hα-helixtrans-67-41.1173.7-71.3154.8000111.1V33 I36 A40 T41 E42 D47 I48 F49 F58 L60 L100V33-L45 HydrophobicContact CG1-CD2 4.42Å; I36-L45 HydrophobicContact CD1-CD1 3.97Å; I36-L45 HydrophobicContact CD1-CD2 4.36Å; I36-L45 HydrophobicContact CG1-CD2 4.4Å; I36-L45 HydrophobicContact CG2-CD1 3.81Å; I36-L45 HydrophobicContact CG2-CD2 4.3Å; A40-L45 HydrophobicContact CB-CD1 4.09Å; A40-L45 HydrophobicContact CB-CG 4.45Å; T41-L45 WeakPolarHBondContact O-CD1 3.48Å; T41-L45 PolarHBondContact O-N 2.8Å; E42-L45 PolarHBondContact O-N 3.19Å; L45-D47 VanDerWaalsContact C-N 3.34Å; L45-D47 PolarHBondContact O-N 3.13Å; L45-I48 PolarHBondContact O-N 2.8Å; L45-F49 WeakPolarHBondContact O-CB 3.32Å; L45-F49 WeakPolarHBondContact O-CD2 3.49Å; L45-F49 PolarHBondContact O-N 3.46Å; L45-F58 HydrophobicContact CB-CE1 4.25Å; L45-F58 HydrophobicContact CB-CE2 3.85Å; L45-F58 HydrophobicContact CB-CZ 3.63Å; L45-F58 HydrophobicContact CD1-CE1 4.1Å; L45-F58 HydrophobicContact CD1-CZ 3.86Å; L45-F58 HydrophobicContact CG-CZ 4.23Å; L45-L60 HydrophobicContact CD1-CD1 3.58Å; L45-L100 HydrophobicContact CD2-CD1 4.24Å; L45-L100 HydrophobicContact CD2-CD2 4.36Å
46K88.1Confident85.9Confident109 Ų10968.8 Ų68.847%0.47435%0.35SS..Hα-helixtrans-62-40.9176.5-173.1-178.4179.4-175.20111.8E42 E43 F49 S50 V55E42-K46 VanDerWaalsContact O-CB 3.24Å; E42-K46 WeakPolarHBondContact O-CB 3.14Å; E42-K46 PolarHBondContact O-N 3.47Å; E43-K46 PolarHBondContact O-N 2.94Å; K46-F49 PolarHBondContact O-N 3.26Å; K46-S50 WeakPolarHBondContact O-CB 3.33Å; K46-S50 PolarHBondContact O-N 3.45Å; K46-V55 HydrophobicContact CG-CG1 4.49Å
47D88.2Confident85.7Confident109 Ų10971.3 Ų71.358%0.58337%0.368SS*.Hα-helixtrans-59.7-52.9175-173.6-111.7000111.7E43 L45 F49 S50 E51E43-D47 PolarHBondContact O-N 2.76Å; L45-D47 VanDerWaalsContact C-N 3.34Å; L45-D47 PolarHBondContact O-N 3.13Å; D47-F49 VanDerWaalsContact C-N 3.28Å; D47-F49 PolarHBondContact O-N 2.94Å; D47-S50 WeakPolarHBondContact O-CB 3.29Å; D47-S50 PolarHBondContact O-N 3.15Å; D47-S50 VanDerWaalsContact O-N 3.07Å; D47-E51 PolarHBondContact O-N 2.98Å
48I87.6Confident85.9Confident22 Ų2271.8 Ų71.811%0.11337%0.369CS..Hα-helixtrans-59.6-36.8177.5-66.8164.2000112.5Q44 L45 E51 L90 F95Q44-I48 WeakPolarHBondContact O-CD1 3.27Å; Q44-I48 VanDerWaalsContact O-CG1 3.3Å; Q44-I48 WeakPolarHBondContact O-CG1 3.31Å; Q44-I48 PolarHBondContact O-N 2.9Å; L45-I48 PolarHBondContact O-N 2.8Å; I48-E51 WeakPolarHBondContact O-CB 3.23Å; I48-L90 HydrophobicContact CG2-CD2 4.25Å; I48-F95 HydrophobicContact CD1-CD2 3.37Å; I48-F95 HydrophobicContact CD1-CE2 3.57Å; I48-F95 HydrophobicContact CD1-CG 4.23Å
49F86.8Confident86.1Confident0 Ų073.7 Ų73.70%038%0.375CS..Hα-helixtrans-79.8-27179.1-82.4-117.9000111.7V31 V33 L45 K46 D47 E51 V52 G53 V55 C75 Y77 L90 V102V31-F49 HydrophobicContact CG1-CE1 4.25Å; V33-F49 HydrophobicContact CB-CZ 4.17Å; V33-F49 HydrophobicContact CG1-CE2 4.14Å; V33-F49 HydrophobicContact CG1-CZ 3.7Å; V33-F49 HydrophobicContact CG2-CD1 4.41Å; V33-F49 HydrophobicContact CG2-CE1 3.41Å; V33-F49 VanDerWaalsContact CG2-CE1 3.41Å; V33-F49 HydrophobicContact CG2-CE2 4.27Å; V33-F49 HydrophobicContact CG2-CZ 3.33Å; L45-F49 WeakPolarHBondContact O-CB 3.32Å; L45-F49 WeakPolarHBondContact O-CD2 3.49Å; L45-F49 PolarHBondContact O-N 3.46Å; K46-F49 PolarHBondContact O-N 3.26Å; D47-F49 VanDerWaalsContact C-N 3.28Å; D47-F49 PolarHBondContact O-N 2.94Å; F49-E51 VanDerWaalsContact C-N 3.29Å; F49-V52 PolarHBondContact O-N 2.82Å; F49-G53 PolarHBondContact O-N 3.45Å; F49-V55 HydrophobicContact CB-CG2 3.86Å; F49-C75 HydrophobicContact CD1-CB 4.02Å; F49-C75 HydrophobicContact CE1-CB 4.3Å; F49-Y77 VanDerWaalsContact CB-OH 3.32Å; F49-Y77 WeakPolarHBondContact CB-OH 3.33Å; F49-Y77 HydrophobicContact CD1-CE2 4.06Å; F49-Y77 AromaticContact CD1-CZ 3.89Å; F49-Y77 WeakPolarHBondContact CD1-OH 3.11Å; F49-Y77 PolarHBondContact O-OH 3.44Å; F49-L90 HydrophobicContact CB-CD1 4.41Å; F49-L90 HydrophobicContact CD1-CD1 3.66Å; F49-L90 HydrophobicContact CD2-CD1 3.76Å; F49-L90 HydrophobicContact CE1-CD1 3.66Å; F49-L90 HydrophobicContact CE2-CD1 3.79Å; F49-L90 HydrophobicContact CG-CD1 3.69Å; F49-L90 HydrophobicContact CZ-CB 4.49Å; F49-L90 HydrophobicContact CZ-CD1 3.72Å; F49-V102 HydrophobicContact CE1-CG1 4.12Å; F49-V102 HydrophobicContact CZ-CG1 4.17Å; F49-V102 HydrophobicContact CZ-CG2 3.9Å
50S87.3Confident86.4Confident62 Ų6266 Ų6643%0.43434%0.34SS..Hα-helixtrans-71.7-19.9174-166.80000113.4K46 D47 V52 G53K46-S50 WeakPolarHBondContact O-CB 3.33Å; K46-S50 PolarHBondContact O-N 3.45Å; D47-S50 WeakPolarHBondContact O-CB 3.29Å; D47-S50 PolarHBondContact O-N 3.15Å; D47-S50 VanDerWaalsContact O-N 3.07Å; S50-V52 PolarHBondContact O-N 3.19Å; S50-G53 WeakPolarHBondContact CA-O 3.23Å
51E87.1Confident86.7Confident142 Ų14267.2 Ų67.266%0.66435%0.346SS*.THydrogen-bonded Turntrans-62.2-31.1170.9-173.6175.570.600112.1D47 I48 F49 R93D47-E51 PolarHBondContact O-N 2.98Å; I48-E51 WeakPolarHBondContact O-CB 3.23Å; F49-E51 VanDerWaalsContact C-N 3.29Å; E51-R93 IonicContact OE1-CZ 2.96Å; E51-R93 VanDerWaalsContact OE1-CZ 3.25Å; E51-R93 IonicContact OE1-NH1 3.16Å; E51-R93 PolarHBondContact OE1-NH1 3Å; E51-R93 IonicContact OE1-NH2 2.89Å; E51-R93 PolarHBondContact OE1-NH2 3.11Å
52V83.3Confident86.7Confident40 Ų4069.7 Ų69.724%0.24235%0.349CS..THydrogen-bonded Turntrans-92.8-26.5-179.6-174.60000112.4F49 S50 A86 L90F49-V52 PolarHBondContact O-N 2.82Å; S50-V52 PolarHBondContact O-N 3.19Å; V52-A86 HydrophobicContact CB-CB 4.47Å; V52-A86 HydrophobicContact CG1-CB 4.13Å; V52-L90 HydrophobicContact CG2-CD1 4.13Å; V52-L90 HydrophobicContact CG2-CD2 3.68Å; V52-L90 HydrophobicContact CG2-CG 3.95Å
53G85.1Confident86.6Confident18 Ų1868.6 Ų68.619%0.18635%0.345CS..SBendtrans162-170.2168.100000113.9F49 S50 V55F49-G53 PolarHBondContact O-N 3.45Å; S50-G53 WeakPolarHBondContact CA-O 3.23Å; G53-V55 PolarHBondContact O-N 2.96Å
54L87.1Confident86Confident112 Ų11273.2 Ų73.259%0.58636%0.356SS*.  trans-74.7110.3-164.8-63.6175.5000113.1Y77 Q78L54-Y77 WeakPolarHBondContact O-CD1 3.25Å; L54-Q78 HydrophobicContact CB-CB 4.34Å; L54-Q78 VanDerWaalsContact CD1-OE1 3.31Å; L54-Q78 PolarHBondContact O-N 2.93Å
55V88.8Confident85.6Confident22 Ų2277.7 Ų77.713%0.13338%0.377CS..EExtended strand (participates in β ladder)trans-79.2116.6173.7178.30000109.9K46 F49 G53 F58 C75 Y77K46-V55 HydrophobicContact CG-CG1 4.49Å; F49-V55 HydrophobicContact CB-CG2 3.86Å; G53-V55 PolarHBondContact O-N 2.96Å; V55-F58 HydrophobicContact CG1-CB 4.42Å; V55-C75 VanDerWaalsContact CG1-SG 3.57Å; V55-Y77 HydrophobicContact CG2-CD1 4.14Å; V55-Y77 HydrophobicContact CG2-CE1 3.66Å
56V87.6Confident85.1Confident89 Ų8982 Ų8254%0.53940%0.403SS..EExtended strand (participates in β ladder)trans-78.2-42.4176.3172.70000111.1E76 Q78V56-E76 WeakPolarHBondContact CB-O 3.45Å; V56-E76 PolarHBondContact N-O 3.11Å; V56-Q78 HydrophobicContact CG2-CB 3.91Å
57S83.4Confident84.4Confident55 Ų5579.4 Ų79.439%0.38541%0.408SS..EExtended strand (participates in β ladder)trans-150.8137-180-169.80000110.5C75 E76S57-C75 CarbonylContact O-C 3.55Å; S57-E76 PolarHBondContact N-O 3.08Å; S57-E76 PolarHBondContact O-N 3.4Å
58F87.9Confident83.9Confident17 Ų1780.8 Ų80.88%0.07541%0.409CS..EExtended strand (participates in β ladder)trans-116.4146.6166.2-160.4-79.3000108V33 E42 L45 V55 L60 F74 C75V33-F58 HydrophobicContact CG2-CE2 4.33Å; V33-F58 HydrophobicContact CG2-CZ 4.48Å; E42-F58 HydrophobicContact CB-CD1 4.39Å; E42-F58 HydrophobicContact CG-CB 4.09Å; E42-F58 HydrophobicContact CG-CD1 3.57Å; E42-F58 HydrophobicContact CG-CE1 4.36Å; E42-F58 HydrophobicContact CG-CG 4.1Å; E42-F58 WeakPolarHBondContact OE2-CD1 3.23Å; L45-F58 HydrophobicContact CB-CE1 4.25Å; L45-F58 HydrophobicContact CB-CE2 3.85Å; L45-F58 HydrophobicContact CB-CZ 3.63Å; L45-F58 HydrophobicContact CD1-CE1 4.1Å; L45-F58 HydrophobicContact CD1-CZ 3.86Å; L45-F58 HydrophobicContact CG-CZ 4.23Å; V55-F58 HydrophobicContact CG1-CB 4.42Å; F58-L60 HydrophobicContact CE1-CB 4.15Å; F58-L60 HydrophobicContact CE1-CD1 4.44Å; F58-F74 CarbonylContact C-O 3.42Å; F58-C75 HydrophobicContact CD2-CB 3.69Å; F58-C75 HydrophobicContact CE2-CB 3.84Å
59R87.4Confident83.5Confident183 Ų18380.7 Ų80.769%0.69141%0.41SS*.EExtended strand (participates in β ladder)trans-145.1100.3176.2-170.7-176.1-167.1-169.36.4110.6G73 F74R59-G73 CarbonylContact O-C 3.53Å; R59-G73 VanDerWaalsContact O-CA 3.23Å; R59-G73 WeakPolarHBondContact O-CA 3.27Å; R59-F74 PolarHBondContact N-O 3.13Å; R59-F74 PolarHBondContact O-N 3.3Å
60L86.9Confident83.2Confident10 Ų1085.3 Ų85.35%0.05243%0.43CS..EExtended strand (participates in β ladder)trans-74.9141.3170.7-156141.6000111.2I36 E42 L45 F58 Y62 P69I36-L60 HydrophobicContact CD1-CD1 4.4Å; E42-L60 PolarHBondContact OE2-N 3.41Å; E42-L60 VanDerWaalsContact OE2-N 3.13Å; L45-L60 HydrophobicContact CD1-CD1 3.58Å; F58-L60 HydrophobicContact CE1-CB 4.15Å; F58-L60 HydrophobicContact CE1-CD1 4.44Å; L60-Y62 HydrophobicContact CB-CE2 3.87Å; L60-Y62 HydrophobicContact CD2-CD1 4.15Å; L60-Y62 HydrophobicContact CD2-CD2 4.24Å; L60-Y62 HydrophobicContact CD2-CE1 3.73Å; L60-Y62 HydrophobicContact CD2-CE2 3.82Å; L60-Y62 HydrophobicContact CD2-CG 4.39Å; L60-Y62 HydrophobicContact CG-CE2 4.47Å; L60-Y62 WeakPolarHBondContact O-CD2 3.48Å; L60-P69 HydrophobicContact CD2-CB 3.48Å; L60-P69 VanDerWaalsContact CD2-CB 3.48Å
61V85.6Confident83.1Confident33 Ų3382.9 Ų82.920%0.242%0.415CS..EExtended strand (participates in β ladder)trans-98.1115179.5-174.80000110.5K70 Y72 F74V61-K70 HydrophobicContact CG1-CD 3.92Å; V61-K70 WeakPolarHBondContact O-CB 3.43Å; V61-K70 PolarHBondContact O-N 3.37Å; V61-Y72 HydrophobicContact CB-CD2 4.01Å; V61-Y72 HydrophobicContact CB-CE2 3.67Å; V61-Y72 HydrophobicContact CG1-CE2 3.91Å; V61-Y72 HydrophobicContact CG2-CD2 3.9Å; V61-Y72 HydrophobicContact CG2-CE2 3.59Å; V61-Y72 PolarHBondContact N-O 3.13Å; V61-F74 HydrophobicContact CG2-CD2 4.11Å; V61-F74 HydrophobicContact CG2-CE2 3.98Å
62Y84.4Confident83.1Confident116 Ų11679.2 Ų79.246%0.45540%0.395SS..EExtended strand (participates in β ladder)trans-96.4145.3175.4-58-91.3000111L60 P69L60-Y62 HydrophobicContact CB-CE2 3.87Å; L60-Y62 HydrophobicContact CD2-CD1 4.15Å; L60-Y62 HydrophobicContact CD2-CD2 4.24Å; L60-Y62 HydrophobicContact CD2-CE1 3.73Å; L60-Y62 HydrophobicContact CD2-CE2 3.82Å; L60-Y62 HydrophobicContact CD2-CG 4.39Å; L60-Y62 HydrophobicContact CG-CE2 4.47Å; L60-Y62 WeakPolarHBondContact O-CD2 3.48Å; Y62-P69 HydrophobicContact CD1-CB 4Å; Y62-P69 HydrophobicContact CE1-CB 4.01Å
63D83.7Confident83.5Confident51 Ų5177.3 Ų77.327%0.27338%0.384SS..  trans-75.2126.5172.6-174-103.5000109.9E65 T66 G67 K68 K70D63-E65 VanDerWaalsContact C-N 3.28Å; D63-E65 PolarHBondContact O-N 2.86Å; D63-E65 PolarHBondContact OD1-N 3.05Å; D63-T66 WeakPolarHBondContact CB-OG1 3.39Å; D63-T66 WeakPolarHBondContact OD1-CB 3.29Å; D63-T66 PolarHBondContact OD1-N 2.96Å; D63-T66 PolarHBondContact OD1-OG1 2.77Å; D63-G67 VanDerWaalsContact O-CA 3.23Å; D63-G67 WeakPolarHBondContact O-CA 3.48Å; D63-G67 PolarHBondContact O-N 3.01Å; D63-K68 VanDerWaalsContact CB-O 3.29Å; D63-K68 WeakPolarHBondContact CB-O 3.44Å; D63-K68 PolarHBondContact N-O 3.38Å; D63-K70 HydrophobicContact CB-CD 4.42Å; D63-K70 HydrophobicContact CB-CG 3.84Å
64R75.7Confident83.7Confident253 Ų25380.3 Ų80.396%0.95539%0.392SS*.THydrogen-bonded Turntrans-77.5-12.9-173.1-68-176.574.4176.94.1113.8
65E78.3Confident83.8Confident188 Ų18875 Ų7588%0.87936%0.364SS*.THydrogen-bonded Turntrans-100.7-40.7-174.7-161.3168.6105.700111.2D63D63-E65 VanDerWaalsContact C-N 3.28Å; D63-E65 PolarHBondContact O-N 2.86Å; D63-E65 PolarHBondContact OD1-N 3.05Å
66T76.7Confident83.8Confident90 Ų9075.3 Ų75.355%0.55236%0.364SS*.THydrogen-bonded Turntrans-98.6-12.917962.80000114.2D63 K68D63-T66 WeakPolarHBondContact CB-OG1 3.39Å; D63-T66 WeakPolarHBondContact OD1-CB 3.29Å; D63-T66 PolarHBondContact OD1-N 2.96Å; D63-T66 PolarHBondContact OD1-OG1 2.77Å; T66-K68 PolarHBondContact O-N 3.15Å; T66-K68 VanDerWaalsContact O-N 3.15Å; T66-K68 PolarHBondContact OG1-N 3.02Å
67G74.3Confident83.9Confident56 Ų5671.1 Ų71.158%0.57734%0.338SS*.  trans68.81.1-173.600000114.5D63D63-G67 VanDerWaalsContact O-CA 3.23Å; D63-G67 WeakPolarHBondContact O-CA 3.48Å; D63-G67 PolarHBondContact O-N 3.01Å
68K76.8Confident84.1Confident137 Ų13773 Ų7360%0.59634%0.341SS*.  trans-84145.3-176.7-61.6-169178.2-168.30111D63 T66 K70D63-K68 VanDerWaalsContact CB-O 3.29Å; D63-K68 WeakPolarHBondContact CB-O 3.44Å; D63-K68 PolarHBondContact N-O 3.38Å; T66-K68 PolarHBondContact O-N 3.15Å; T66-K68 VanDerWaalsContact O-N 3.15Å; T66-K68 PolarHBondContact OG1-N 3.02Å; K68-K70 PolarHBondContact O-N 3.21Å
69P78.5Confident83.9Confident21 Ų2176.1 Ų76.114%0.13636%0.359CS..EExtended strand (participates in β ladder)trans-61.4135.7172.123.8-30.4000109.8Y38 L60 Y62 G71Y38-P69 HydrophobicContact CD1-CG 4.14Å; Y38-P69 WeakPolarHBondContact CD1-O 3.47Å; Y38-P69 VanDerWaalsContact CE1-O 3.23Å; Y38-P69 WeakPolarHBondContact CE1-O 3.37Å; Y38-P69 WeakPolarHBondContact O-CG 3.41Å; L60-P69 HydrophobicContact CD2-CB 3.48Å; L60-P69 VanDerWaalsContact CD2-CB 3.48Å; Y62-P69 HydrophobicContact CD1-CB 4Å; Y62-P69 HydrophobicContact CE1-CB 4.01Å; P69-G71 PolarHBondContact O-N 2.67Å; P69-G71 VanDerWaalsContact O-N 3.09Å
70K81.9Confident83.8Confident96 Ų9669.9 Ų69.942%0.41734%0.338SS..EExtended strand (participates in β ladder)trans-75.26.9-179.7-63.5-175.176.1-168.70113.6V61 D63 K68 Y72V61-K70 HydrophobicContact CG1-CD 3.92Å; V61-K70 WeakPolarHBondContact O-CB 3.43Å; V61-K70 PolarHBondContact O-N 3.37Å; D63-K70 HydrophobicContact CB-CD 4.42Å; D63-K70 HydrophobicContact CB-CG 3.84Å; K68-K70 PolarHBondContact O-N 3.21Å; K70-Y72 VanDerWaalsContact C-N 3.25Å; K70-Y72 HydrophobicContact CB-CD1 3.63Å; K70-Y72 HydrophobicContact CB-CE1 3.39Å; K70-Y72 HydrophobicContact CD-CE1 3.83Å; K70-Y72 HydrophobicContact CG-CE1 4.22Å; K70-Y72 PolarHBondContact NZ-OH 3.4Å; K70-Y72 WeakPolarHBondContact O-CD1 3.33Å; K70-Y72 PolarHBondContact O-N 3.14Å
71G84.1Confident83.7Confident11 Ų1176.1 Ų76.111%0.11337%0.366CS..EExtended strand (participates in β ladder)trans69.719.4-175.100000114.1G34 N35 I36 P69G34-G71 CarbonylContact C-O 3.58Å; N35-G71 PolarHBondContact N-O 3.41Å; I36-G71 WeakPolarHBondContact CB-O 3.3Å; I36-G71 PolarHBondContact N-O 3.33Å; I36-G71 VanDerWaalsContact O-CA 3.27Å; I36-G71 WeakPolarHBondContact O-CA 3.44Å; P69-G71 PolarHBondContact O-N 2.67Å; P69-G71 VanDerWaalsContact O-N 3.09Å
72Y88.7Confident83.7Confident65 Ų6575.8 Ų75.826%0.25537%0.365SS..EExtended strand (participates in β ladder)trans-146.7159.817371.3-92000113.2F32 V33 V61 K70 F74F32-Y72 AromaticContact CE2-CD2 3.84Å; F32-Y72 HydrophobicContact CE2-CD2 3.84Å; F32-Y72 HydrophobicContact CE2-CG 4.08Å; F32-Y72 HydrophobicContact CZ-CG 4.42Å; V33-Y72 CarbonylContact O-C 3.55Å; V33-Y72 WeakPolarHBondContact O-CA 3.5Å; V33-Y72 WeakPolarHBondContact O-CB 3.14Å; V61-Y72 HydrophobicContact CB-CD2 4.01Å; V61-Y72 HydrophobicContact CB-CE2 3.67Å; V61-Y72 HydrophobicContact CG1-CE2 3.91Å; V61-Y72 HydrophobicContact CG2-CD2 3.9Å; V61-Y72 HydrophobicContact CG2-CE2 3.59Å; V61-Y72 PolarHBondContact N-O 3.13Å; K70-Y72 VanDerWaalsContact C-N 3.25Å; K70-Y72 HydrophobicContact CB-CD1 3.63Å; K70-Y72 HydrophobicContact CB-CE1 3.39Å; K70-Y72 HydrophobicContact CD-CE1 3.83Å; K70-Y72 HydrophobicContact CG-CE1 4.22Å; K70-Y72 PolarHBondContact NZ-OH 3.4Å; K70-Y72 WeakPolarHBondContact O-CD1 3.33Å; K70-Y72 PolarHBondContact O-N 3.14Å; Y72-F74 HydrophobicContact CD2-CE2 4.37Å; Y72-F74 HydrophobicContact CE2-CE2 4.26Å
73G89.9Confident83.8Confident0 Ų070.3 Ų70.30%034%0.343CS..EExtended strand (participates in β ladder)trans-158.9178.5-179.300000112V33 R59V33-G73 PolarHBondContact N-O 2.88Å; V33-G73 PolarHBondContact O-N 2.83Å; R59-G73 CarbonylContact O-C 3.53Å; R59-G73 VanDerWaalsContact O-CA 3.23Å; R59-G73 WeakPolarHBondContact O-CA 3.27Å
74F90.1Very high83.9Confident81 Ų8171.3 Ų71.336%0.35535%0.348SS..EExtended strand (participates in β ladder)trans-127.3133.3177.6-61.2-85000109.3F32 F58 R59 V61 Y72 A105F32-F74 HydrophobicContact CB-CE1 4.47Å; F32-F74 HydrophobicContact CD2-CD1 4.28Å; F32-F74 AromaticContact CD2-CE1 3.77Å; F32-F74 HydrophobicContact CD2-CE1 3.77Å; F32-F74 HydrophobicContact CD2-CZ 4.14Å; F58-F74 CarbonylContact C-O 3.42Å; R59-F74 PolarHBondContact N-O 3.13Å; R59-F74 PolarHBondContact O-N 3.3Å; V61-F74 HydrophobicContact CG2-CD2 4.11Å; V61-F74 HydrophobicContact CG2-CE2 3.98Å; Y72-F74 HydrophobicContact CD2-CE2 4.37Å; Y72-F74 HydrophobicContact CE2-CE2 4.26Å; F74-A105 HydrophobicContact CD1-CB 3.81Å; F74-A105 HydrophobicContact CE1-CB 4.32Å
75C89.6Confident84.4Confident1 Ų161.5 Ų61.51%0.00732%0.318CS..EExtended strand (participates in β ladder)trans-118132.2177.3-174.50000108.7S30 V31 V33 F49 V55 S57 F58S30-C75 CarbonylContact C-O 3.58Å; S30-C75 WeakPolarHBondContact CA-O 3.47Å; V31-C75 PolarHBondContact N-O 3.23Å; V31-C75 PolarHBondContact O-N 2.94Å; V33-C75 HydrophobicContact CG2-CB 4.27Å; F49-C75 HydrophobicContact CD1-CB 4.02Å; F49-C75 HydrophobicContact CE1-CB 4.3Å; V55-C75 VanDerWaalsContact CG1-SG 3.57Å; S57-C75 CarbonylContact O-C 3.55Å; F58-C75 HydrophobicContact CD2-CB 3.69Å; F58-C75 HydrophobicContact CE2-CB 3.84Å
76E88.8Confident84.8Confident29 Ų2952.5 Ų52.514%0.13628%0.276CS..EExtended strand (participates in β ladder)trans-114.1122.8178.3-174.8174.3153.900108.5R26 V56 S57R26-E76 IonicContact CZ-OE1 3.12Å; R26-E76 IonicContact CZ-OE2 2.66Å; R26-E76 IonicContact NE-OE1 2.85Å; R26-E76 PolarHBondContact NE-OE1 2.94Å; R26-E76 IonicContact NE-OE2 3.25Å; R26-E76 PolarHBondContact NE-OE2 3.41Å; R26-E76 IonicContact NH2-OE1 3.88Å; R26-E76 IonicContact NH2-OE2 3.88Å; R26-E76 PolarHBondContact NH2-OE2 2.76Å; V56-E76 WeakPolarHBondContact CB-O 3.45Å; V56-E76 PolarHBondContact N-O 3.11Å; S57-E76 PolarHBondContact N-O 3.08Å; S57-E76 PolarHBondContact O-N 3.4Å
77Y90Very high85.3Confident0 Ų049.7 Ų49.70%026%0.257CS..EExtended strand (participates in β ladder)trans-96.9161179.7-78.1-79000111.9R29 V31 F49 L54 V55 D79 T82 A83 A86R29-Y77 PolarHBondContact O-N 3.34Å; V31-Y77 HydrophobicContact CB-CE2 4.36Å; V31-Y77 HydrophobicContact CG2-CD2 3.83Å; V31-Y77 HydrophobicContact CG2-CE2 3.89Å; F49-Y77 VanDerWaalsContact CB-OH 3.32Å; F49-Y77 WeakPolarHBondContact CB-OH 3.33Å; F49-Y77 HydrophobicContact CD1-CE2 4.06Å; F49-Y77 AromaticContact CD1-CZ 3.89Å; F49-Y77 WeakPolarHBondContact CD1-OH 3.11Å; F49-Y77 PolarHBondContact O-OH 3.44Å; L54-Y77 WeakPolarHBondContact O-CD1 3.25Å; V55-Y77 HydrophobicContact CG2-CD1 4.14Å; V55-Y77 HydrophobicContact CG2-CE1 3.66Å; Y77-D79 VanDerWaalsContact C-N 3.31Å; Y77-T82 HydrophobicContact CD1-CG2 3.37Å; Y77-T82 HydrophobicContact CE1-CG2 3.63Å; Y77-T82 HydrophobicContact CG-CG2 3.99Å; Y77-A83 HydrophobicContact CD2-CB 3.93Å; Y77-A83 HydrophobicContact CG-CB 4.45Å; Y77-A86 HydrophobicContact CE2-CB 3.56Å; Y77-A86 VanDerWaalsContact OH-CB 3.27Å; Y77-A86 WeakPolarHBondContact OH-CB 3.42Å
78Q86.1Confident85.8Confident94 Ų9456.7 Ų56.744%0.43927%0.266SS..SBendtrans-65.1-37.5173.8-173.3169.214.800111.9R29 L54 V56R29-Q78 WeakPolarHBondContact CD-O 3.42Å; R29-Q78 PolarHBondContact NH1-O 3.38Å; L54-Q78 HydrophobicContact CB-CB 4.34Å; L54-Q78 VanDerWaalsContact CD1-OE1 3.31Å; L54-Q78 PolarHBondContact O-N 2.93Å; V56-Q78 HydrophobicContact CG2-CB 3.91Å
79D84.4Confident86.2Confident83 Ų8355.3 Ų55.344%0.44427%0.265SS..  trans-128.7146.1-172.4-63.1-83.1000111.9Y77 E81 T82 A83Y77-D79 VanDerWaalsContact C-N 3.31Å; D79-E81 VanDerWaalsContact C-N 3.31Å; D79-E81 PolarHBondContact O-N 2.99Å; D79-T82 PolarHBondContact O-N 3.35Å; D79-A83 PolarHBondContact O-N 3.08Å
80Q84.3Confident86.6Confident53 Ų5354.3 Ų54.325%0.24826%0.259CS..Hα-helixtrans-67.5-35.3178.2174.116723.400111.4L28 R29 T82 A83 L84L28-Q80 HydrophobicContact CB-CG 4.41Å; R29-Q80 HydrophobicContact CG-CB 4Å; Q80-T82 VanDerWaalsContact C-N 3.28Å; Q80-T82 PolarHBondContact O-N 2.76Å; Q80-A83 WeakPolarHBondContact O-CB 3.4Å; Q80-A83 PolarHBondContact O-N 2.93Å; Q80-A83 VanDerWaalsContact O-N 3.13Å; Q80-L84 HydrophobicContact CG-CD1 3.79Å; Q80-L84 HydrophobicContact CG-CG 4.17Å; Q80-L84 WeakPolarHBondContact O-CG 3.43Å; Q80-L84 PolarHBondContact O-N 2.8Å
81E85.1Confident86.9Confident141 Ų14153.9 Ų53.966%0.65926%0.261SS*.Hα-helixtrans-65-35-179.6-159.4169.7103.500111.6D79 S85D79-E81 VanDerWaalsContact C-N 3.31Å; D79-E81 PolarHBondContact O-N 2.99Å; E81-S85 VanDerWaalsContact O-CB 3.3Å; E81-S85 WeakPolarHBondContact O-CB 3.47Å; E81-S85 PolarHBondContact O-N 2.84Å; E81-S85 PolarHBondContact O-OG 2.81Å
82T86.9Confident86.9Confident26 Ų2655.3 Ų55.316%0.1628%0.276CS..Hα-helixtrans-65.3-45169.8-53.20000111.6Y77 D79 Q80 L84 S85 A86Y77-T82 HydrophobicContact CD1-CG2 3.37Å; Y77-T82 HydrophobicContact CE1-CG2 3.63Å; Y77-T82 HydrophobicContact CG-CG2 3.99Å; D79-T82 PolarHBondContact O-N 3.35Å; Q80-T82 VanDerWaalsContact C-N 3.28Å; Q80-T82 PolarHBondContact O-N 2.76Å; T82-L84 PolarHBondContact O-N 2.93Å; T82-S85 PolarHBondContact O-N 3.41Å; T82-A86 VanDerWaalsContact O-CB 3.31Å; T82-A86 WeakPolarHBondContact O-CB 3.46Å; T82-A86 PolarHBondContact O-N 2.86Å
83A85.3Confident86.7Confident0 Ų056 Ų560%028%0.278CS..Hα-helixtrans-59.9-43.4176.100000112.6V31 Y77 D79 Q80 A86 M87V31-A83 HydrophobicContact CG2-CB 3.55Å; Y77-A83 HydrophobicContact CD2-CB 3.93Å; Y77-A83 HydrophobicContact CG-CB 4.45Å; D79-A83 PolarHBondContact O-N 3.08Å; Q80-A83 WeakPolarHBondContact O-CB 3.4Å; Q80-A83 PolarHBondContact O-N 2.93Å; Q80-A83 VanDerWaalsContact O-N 3.13Å; A83-A86 WeakPolarHBondContact O-CB 3.46Å; A83-A86 PolarHBondContact O-N 2.83Å; A83-M87 WeakPolarHBondContact O-CG 3.27Å; A83-M87 PolarHBondContact O-N 3.43Å
84L85.6Confident86.5Confident72 Ų7263.7 Ų63.738%0.37731%0.314SS..Hα-helixtrans-63.8-42.9174.9-72.2163.2000112Q80 T82 A86 M87 R88Q80-L84 HydrophobicContact CG-CD1 3.79Å; Q80-L84 HydrophobicContact CG-CG 4.17Å; Q80-L84 WeakPolarHBondContact O-CG 3.43Å; Q80-L84 PolarHBondContact O-N 2.8Å; T82-L84 PolarHBondContact O-N 2.93Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-M87 HydrophobicContact CD2-CE 3.64Å; L84-M87 HydrophobicContact CG-CE 4.25Å; L84-M87 PolarHBondContact O-N 2.97Å; L84-R88 PolarHBondContact O-N 2.73Å; L84-R88 VanDerWaalsContact O-N 3.08Å
85S86.7Confident86.2Confident47 Ų4761.2 Ų61.233%0.32930%0.303SS..Hα-helixtrans-64.3-38.7175.7-61.30000111.7E81 T82 R88 N89E81-S85 VanDerWaalsContact O-CB 3.3Å; E81-S85 WeakPolarHBondContact O-CB 3.47Å; E81-S85 PolarHBondContact O-N 2.84Å; E81-S85 PolarHBondContact O-OG 2.81Å; T82-S85 PolarHBondContact O-N 3.41Å; S85-R88 PolarHBondContact O-N 3.32Å; S85-N89 WeakPolarHBondContact O-CB 3.23Å; S85-N89 PolarHBondContact O-N 2.78Å; S85-N89 PolarHBondContact O-ND2 3.21Å
86A86.2Confident85.6Confident0 Ų065 Ų650%033%0.329CS..Hα-helixtrans-63.8-46.3175.300000111.2V52 Y77 T82 A83 L84 R88 N89 L90V52-A86 HydrophobicContact CB-CB 4.47Å; V52-A86 HydrophobicContact CG1-CB 4.13Å; Y77-A86 HydrophobicContact CE2-CB 3.56Å; Y77-A86 VanDerWaalsContact OH-CB 3.27Å; Y77-A86 WeakPolarHBondContact OH-CB 3.42Å; T82-A86 VanDerWaalsContact O-CB 3.31Å; T82-A86 WeakPolarHBondContact O-CB 3.46Å; T82-A86 PolarHBondContact O-N 2.86Å; A83-A86 WeakPolarHBondContact O-CB 3.46Å; A83-A86 PolarHBondContact O-N 2.83Å; L84-A86 VanDerWaalsContact C-N 3.33Å; A86-R88 VanDerWaalsContact C-N 3.31Å; A86-R88 PolarHBondContact O-N 3.44Å; A86-N89 PolarHBondContact O-N 2.87Å; A86-L90 HydrophobicContact CB-CD1 3.81Å; A86-L90 HydrophobicContact CB-CG 4.36Å; A86-L90 WeakPolarHBondContact O-CA 3.09Å; A86-L90 WeakPolarHBondContact O-CB 3.43Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.17Å; A86-L90 PolarHBondContact O-N 2.92Å
87M86.9Confident85.3Confident31 Ų3167 Ų6715%0.15336%0.357CS..Hα-helixtrans-59.2-39.8174.1-70.3-174.9-66.600112.8V31 A83 L84 N91 V102 N104V31-M87 HydrophobicContact CG1-CG 4.01Å; V31-M87 HydrophobicContact CG2-CG 4.34Å; A83-M87 WeakPolarHBondContact O-CG 3.27Å; A83-M87 PolarHBondContact O-N 3.43Å; L84-M87 HydrophobicContact CD2-CE 3.64Å; L84-M87 HydrophobicContact CG-CE 4.25Å; L84-M87 PolarHBondContact O-N 2.97Å; M87-N91 WeakPolarHBondContact O-CB 3.48Å; M87-N91 PolarHBondContact O-N 3.09Å; M87-V102 HydrophobicContact CG-CG1 4.12Å; M87-N104 HydrophobicContact CE-CB 4.36Å; M87-N104 VanDerWaalsContact CE-OD1 3.28Å; M87-N104 WeakPolarHBondContact CE-OD1 3.5Å; M87-N104 WeakPolarHBondContact SD-CA 3.28Å; M87-N104 HydrophobicContact SD-CB 3.76Å; M87-N104 PolarHBondContact SD-N 3.35Å
88R85.3Confident84.9Confident203 Ų20371.9 Ų71.977%0.76638%0.376SS*.Hα-helixtrans-72.5-39.3-179.9-173.9175.1-71.8-169.3-2.1113.6L84 S85 A86L84-R88 PolarHBondContact O-N 2.73Å; L84-R88 VanDerWaalsContact O-N 3.08Å; S85-R88 PolarHBondContact O-N 3.32Å; A86-R88 VanDerWaalsContact C-N 3.31Å; A86-R88 PolarHBondContact O-N 3.44Å
89N85.8Confident84.9Confident108 Ų10869.6 Ų69.658%0.57837%0.373SS*.Hα-helixtrans-97.1-23.3-172.4-64.4-78.3000114S85 A86S85-N89 WeakPolarHBondContact O-CB 3.23Å; S85-N89 PolarHBondContact O-N 2.78Å; S85-N89 PolarHBondContact O-ND2 3.21Å; A86-N89 PolarHBondContact O-N 2.87Å
90L86.3Confident85.2Confident0 Ų065.7 Ų65.70%035%0.352CS..Hα-helixtrans-98.8-21.8-178.8-52-179.3000113.2I48 F49 V52 A86 G92 R93 V102I48-L90 HydrophobicContact CG2-CD2 4.25Å; F49-L90 HydrophobicContact CB-CD1 4.41Å; F49-L90 HydrophobicContact CD1-CD1 3.66Å; F49-L90 HydrophobicContact CD2-CD1 3.76Å; F49-L90 HydrophobicContact CE1-CD1 3.66Å; F49-L90 HydrophobicContact CE2-CD1 3.79Å; F49-L90 HydrophobicContact CG-CD1 3.69Å; F49-L90 HydrophobicContact CZ-CB 4.49Å; F49-L90 HydrophobicContact CZ-CD1 3.72Å; V52-L90 HydrophobicContact CG2-CD1 4.13Å; V52-L90 HydrophobicContact CG2-CD2 3.68Å; V52-L90 HydrophobicContact CG2-CG 3.95Å; A86-L90 HydrophobicContact CB-CD1 3.81Å; A86-L90 HydrophobicContact CB-CG 4.36Å; A86-L90 WeakPolarHBondContact O-CA 3.09Å; A86-L90 WeakPolarHBondContact O-CB 3.43Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.17Å; A86-L90 PolarHBondContact O-N 2.92Å; L90-G92 PolarHBondContact O-N 3.05Å; L90-R93 VanDerWaalsContact O-CB 3.31Å; L90-R93 WeakPolarHBondContact O-CB 3.31Å; L90-R93 PolarHBondContact O-N 3.04Å; L90-V102 HydrophobicContact CB-CB 4.41Å; L90-V102 HydrophobicContact CB-CG1 4.44Å; L90-V102 HydrophobicContact CB-CG2 3.83Å
91N88.1Confident85.4Confident87 Ų8769.7 Ų69.747%0.46537%0.365SS..THydrogen-bonded Turntrans-67.5122.2176.9-17758000110.4M87 V102M87-N91 WeakPolarHBondContact O-CB 3.48Å; M87-N91 PolarHBondContact O-N 3.09Å; N91-V102 HydrophobicContact CB-CB 3.96Å; N91-V102 PolarHBondContact OD1-N 2.97Å; N91-V102 PolarHBondContact OD1-O 3.29Å
92G84.8Confident85.6Confident41 Ų4163.2 Ų63.242%0.42334%0.335SS..THydrogen-bonded Turntrans90.1-6.6-173.100000114.6L90 E94 L100L90-G92 PolarHBondContact O-N 3.05Å; G92-E94 PolarHBondContact O-N 2.79Å; G92-L100 PolarHBondContact N-O 2.89Å
93R83.9Confident85.6Confident79 Ų7965.1 Ų65.130%0.29835%0.345SS..  trans-61.7125-178.4-163.9-155.9-72.6-118.818.7109.9E51 L90 F95 L100E51-R93 IonicContact OE1-CZ 2.96Å; E51-R93 VanDerWaalsContact OE1-CZ 3.25Å; E51-R93 IonicContact OE1-NH1 3.16Å; E51-R93 PolarHBondContact OE1-NH1 3Å; E51-R93 IonicContact OE1-NH2 2.89Å; E51-R93 PolarHBondContact OE1-NH2 3.11Å; L90-R93 VanDerWaalsContact O-CB 3.31Å; L90-R93 WeakPolarHBondContact O-CB 3.31Å; L90-R93 PolarHBondContact O-N 3.04Å; R93-F95 PolarHBondContact O-N 3.29Å; R93-L100 PolarHBondContact O-N 3.29Å
94E86.2Confident85.6Confident161 Ų16167 Ų6775%0.75236%0.355SS*.EExtended strand (participates in β ladder)trans-70.8125.2177.9-65-174.587.300111.2G92G92-E94 PolarHBondContact O-N 2.79Å
95F82.9Confident85.2Confident30 Ų3064.1 Ų64.113%0.13234%0.341CS..EExtended strand (participates in β ladder)trans-137.7121.4178-178.3-99.1000109.5P37 A40 Q44 I48 R93 G97 R98 L100P37-F95 HydrophobicContact CG-CD1 3.49Å; P37-F95 VanDerWaalsContact CG-CD1 3.49Å; P37-F95 HydrophobicContact CG-CE1 3.72Å; A40-F95 HydrophobicContact CB-CD1 4.43Å; A40-F95 HydrophobicContact CB-CE1 3.63Å; A40-F95 HydrophobicContact CB-CZ 4.44Å; Q44-F95 HydrophobicContact CB-CZ 4.26Å; Q44-F95 HydrophobicContact CG-CE2 3.64Å; Q44-F95 HydrophobicContact CG-CZ 3.67Å; I48-F95 HydrophobicContact CD1-CD2 3.37Å; I48-F95 HydrophobicContact CD1-CE2 3.57Å; I48-F95 HydrophobicContact CD1-CG 4.23Å; R93-F95 PolarHBondContact O-N 3.29Å; F95-G97 PolarHBondContact O-N 2.81Å; F95-R98 PolarHBondContact N-O 3.43Å; F95-R98 PolarHBondContact O-N 3.31Å; F95-R98 VanDerWaalsContact O-O 3.08Å; F95-L100 HydrophobicContact CB-CD1 3.87Å; F95-L100 HydrophobicContact CB-CD2 4.04Å; F95-L100 HydrophobicContact CB-CG 3.77Å; F95-L100 HydrophobicContact CD1-CD2 4.34Å; F95-L100 HydrophobicContact CG-CD1 4.37Å
96S78.6Confident84.2Confident79 Ų7963.5 Ų63.555%0.55234%0.339SS*.THydrogen-bonded Turntrans4445.1-171.5-52.70000114R98S96-R98 VanDerWaalsContact C-N 3.33Å; S96-R98 PolarHBondContact O-N 2.85Å
97G81.1Confident82.8Confident71 Ų7166.7 Ų66.773%0.73236%0.361SS*.THydrogen-bonded Turntrans74.615.5179.700000115.3F95F95-G97 PolarHBondContact O-N 2.81Å
98R82.5Confident81.2Confident104 Ų10472.1 Ų72.139%0.39239%0.386SS..EExtended strand (participates in β ladder)trans-130.8132.9174.3-73.8-174.7164.6-170.1-7.3111.5F95 S96 L100F95-R98 PolarHBondContact N-O 3.43Å; F95-R98 PolarHBondContact O-N 3.31Å; F95-R98 VanDerWaalsContact O-O 3.08Å; S96-R98 VanDerWaalsContact C-N 3.33Å; S96-R98 PolarHBondContact O-N 2.85Å; R98-L100 PolarHBondContact O-N 2.83Å
99A87Confident79.4Confident46 Ų4671 Ų7138%0.3839%0.387SS..EExtended strand (participates in β ladder)trans-67.7118.717100000110.6N35N35-A99 PolarHBondContact ND2-O 3.25Å
100L89.9Confident77.8Confident1 Ų167.1 Ų67.11%0.00537%0.366CS..PPolyproline II helixtrans-66.3131.5172.3-63.5178.6000109.4I36 L45 G92 R93 F95 R98 V102I36-L100 HydrophobicContact CG1-CD2 4.25Å; L45-L100 HydrophobicContact CD2-CD1 4.24Å; L45-L100 HydrophobicContact CD2-CD2 4.36Å; G92-L100 PolarHBondContact N-O 2.89Å; R93-L100 PolarHBondContact O-N 3.29Å; F95-L100 HydrophobicContact CB-CD1 3.87Å; F95-L100 HydrophobicContact CB-CD2 4.04Å; F95-L100 HydrophobicContact CB-CG 3.77Å; F95-L100 HydrophobicContact CD1-CD2 4.34Å; F95-L100 HydrophobicContact CG-CD1 4.37Å; R98-L100 PolarHBondContact O-N 2.83Å; L100-V102 HydrophobicContact CB-CG2 4.41Å
101R88.3Confident76Confident136 Ų13671.6 Ų71.651%0.51339%0.385SS..EExtended strand (participates in β ladder)trans-92.6126.4171.2-177.2176.1171.5-160.8-6.4108.7V33 G34 N35 D103V33-R101 CarbonylContact C-O 3.51Å; V33-R101 WeakPolarHBondContact CA-O 3.3Å; G34-R101 PolarHBondContact N-O 3.49Å; G34-R101 PolarHBondContact O-N 2.96Å; N35-R101 HydrophobicContact CB-CB 4.4Å; R101-D103 IonicContact CZ-OD2 3.53Å; R101-D103 IonicContact NE-OD2 2.72Å; R101-D103 IonicContact NH2-OD2 2.71Å; R101-D103 PolarHBondContact NH2-OD2 3.42Å
102V90.1Very high74.2Confident6 Ų674 Ų744%0.03639%0.394CS..EExtended strand (participates in β ladder)trans-127.3119.5-177.6-169.30000108.7V31 F32 F49 M87 L90 N91 L100V31-V102 HydrophobicContact CG1-CG1 3.23Å; F32-V102 WeakPolarHBondContact O-CA 3.41Å; F49-V102 HydrophobicContact CE1-CG1 4.12Å; F49-V102 HydrophobicContact CZ-CG1 4.17Å; F49-V102 HydrophobicContact CZ-CG2 3.9Å; M87-V102 HydrophobicContact CG-CG1 4.12Å; L90-V102 HydrophobicContact CB-CB 4.41Å; L90-V102 HydrophobicContact CB-CG1 4.44Å; L90-V102 HydrophobicContact CB-CG2 3.83Å; N91-V102 HydrophobicContact CB-CB 3.96Å; N91-V102 PolarHBondContact OD1-N 2.97Å; N91-V102 PolarHBondContact OD1-O 3.29Å; L100-V102 HydrophobicContact CB-CG2 4.41Å
103D86.8Confident72.6Confident66 Ų6677 Ų7735%0.35340%0.397SS..EExtended strand (participates in β ladder)trans-140170.8-167.4-148.7-56000109.8V31 F32 R101 A105V31-D103 CarbonylContact C-O 3.49Å; F32-D103 HydrophobicContact CB-CB 4.37Å; F32-D103 HydrophobicContact CD1-CB 3.94Å; F32-D103 PolarHBondContact N-O 3.49Å; F32-D103 PolarHBondContact O-N 2.66Å; R101-D103 IonicContact CZ-OD2 3.53Å; R101-D103 IonicContact NE-OD2 2.72Å; R101-D103 IonicContact NH2-OD2 2.71Å; R101-D103 PolarHBondContact NH2-OD2 3.42Å; D103-A105 PolarHBondContact O-N 2.95Å
104N84.5Confident70.9Confident39 Ų3975 Ų7521%0.20939%0.392CS..EExtended strand (participates in β ladder)trans-78.1129.6-177.8-146.3112.4000109.2S27 M87 A106S27-N104 PolarHBondContact O-ND2 3.47Å; M87-N104 HydrophobicContact CE-CB 4.36Å; M87-N104 VanDerWaalsContact CE-OD1 3.28Å; M87-N104 WeakPolarHBondContact CE-OD1 3.5Å; M87-N104 WeakPolarHBondContact SD-CA 3.28Å; M87-N104 HydrophobicContact SD-CB 3.76Å; M87-N104 PolarHBondContact SD-N 3.35Å; N104-A106 PolarHBondContact O-N 3.07Å
105A77.3Confident69.2Low12 Ų1275.2 Ų75.210%0.09939%0.39CS..  trans-77.127.5178.900000113.6S30 F32 F74 D103 S107S30-A105 WeakPolarHBondContact O-CB 3.02Å; S30-A105 PolarHBondContact O-N 2.85Å; F32-A105 HydrophobicContact CB-CB 4.29Å; F74-A105 HydrophobicContact CD1-CB 3.81Å; F74-A105 HydrophobicContact CE1-CB 4.32Å; D103-A105 PolarHBondContact O-N 2.95Å; A105-S107 PolarHBondContact O-N 2.8Å
106A66.5Low67.6Low33 Ų3378.5 Ų78.527%0.27342%0.417SS..  trans-59.3101.6175.800000108.4N104N104-A106 PolarHBondContact O-N 3.07Å
107S55.1Low66.3Low67 Ų6780.4 Ų80.447%0.46942%0.42SS..  trans-56.4145.3-174.4-169.50000109.7A105 K109 N110 K111A105-S107 PolarHBondContact O-N 2.8Å; S107-K109 PolarHBondContact O-N 2.92Å; S107-N110 CarbonylContact O-C 3.43Å; S107-N110 WeakPolarHBondContact O-CA 3.46Å; S107-N110 PolarHBondContact O-N 3.04Å; S107-K111 PolarHBondContact O-N 3.16Å
108E53.7Low65Low145 Ų14580.1 Ų80.168%0.67842%0.417SS*.THydrogen-bonded Turntrans-58.7-26.6-177.8-63.3-163.277.200113.2K111E108-K111 WeakPolarHBondContact O-CB 3.44Å; E108-K111 IonicContact OE1-NZ 3.52Å; E108-K111 PolarHBondContact OE1-NZ 2.86Å
109K48.3Very low63.4Low180 Ų18079.8 Ų79.878%0.78343%0.427SS*.THydrogen-bonded Turntrans-73.6-17.9172.1-69.8-173.2171.7-172.10115.4S107S107-K109 PolarHBondContact O-N 2.92Å
110N51.5Low61.5Low27 Ų2779.9 Ų79.914%0.14443%0.433CS..THydrogen-bonded Turntrans-105.4-13.7173.7-113.9111.8000112S107 E112 E113 L114S107-N110 CarbonylContact O-C 3.43Å; S107-N110 WeakPolarHBondContact O-CA 3.46Å; S107-N110 PolarHBondContact O-N 3.04Å; N110-E112 PolarHBondContact O-N 3.43Å; N110-E113 PolarHBondContact ND2-OE1 2.76Å; N110-E113 PolarHBondContact O-N 2.79Å; N110-E113 VanDerWaalsContact O-N 3.16Å; N110-L114 HydrophobicContact CB-CD1 3.89Å; N110-L114 WeakPolarHBondContact O-CB 3.5Å; N110-L114 WeakPolarHBondContact O-CD1 3.34Å; N110-L114 PolarHBondContact O-N 3.13Å
111K50Low59.1Low93 Ų9383.7 Ų83.740%0.40446%0.464SS..THydrogen-bonded Turntrans-59.7-24.8175.4-173.1169.761.6-173.10112.5S107 E108 K115S107-K111 PolarHBondContact O-N 3.16Å; E108-K111 WeakPolarHBondContact O-CB 3.44Å; E108-K111 IonicContact OE1-NZ 3.52Å; E108-K111 PolarHBondContact OE1-NZ 2.86Å; K111-K115 HydrophobicContact CG-CD 4.48Å; K111-K115 WeakPolarHBondContact O-CB 3.38Å; K111-K115 VanDerWaalsContact O-CD 3.25Å; K111-K115 WeakPolarHBondContact O-CD 3.25Å; K111-K115 PolarHBondContact O-N 2.72Å
112E50.2Low56.9Low137 Ų13781.9 Ų81.964%0.6447%0.47SS*.THydrogen-bonded Turntrans-72.9-48.4175.2-60.5167.3101.100110.7N110 K115 S116N110-E112 PolarHBondContact O-N 3.43Å; E112-K115 VanDerWaalsContact O-CB 3.28Å; E112-K115 WeakPolarHBondContact O-CB 3.45Å; E112-K115 PolarHBondContact O-N 3.2Å; E112-S116 PolarHBondContact O-N 2.72Å; E112-S116 PolarHBondContact O-OG 3.16Å
113E49.7Very low55.2Low106 Ų10688.7 Ų88.750%0.49551%0.505SS..Hα-helixtrans-75.1-36.9-178.7-160.9170.870.900112.8N110 K115 S116 L117N110-E113 PolarHBondContact ND2-OE1 2.76Å; N110-E113 PolarHBondContact O-N 2.79Å; N110-E113 VanDerWaalsContact O-N 3.16Å; E113-K115 VanDerWaalsContact C-N 3.25Å; E113-K115 PolarHBondContact O-N 3.03Å; E113-S116 WeakPolarHBondContact O-CA 3.47Å; E113-S116 WeakPolarHBondContact O-CB 3.28Å; E113-S116 PolarHBondContact O-N 3.2Å; E113-L117 PolarHBondContact O-N 2.86Å
114L49.8Very low53.4Low35 Ų3592 Ų9218%0.18352%0.521CS..Hα-helixtrans-73.1-12.4169.4-81.7123.2000113.4V24 L28 N110V24-L114 HydrophobicContact CG1-CD1 4.27Å; V24-L114 HydrophobicContact CG1-CD2 4.15Å; V24-L114 HydrophobicContact CG1-CG 4.2Å; L28-L114 HydrophobicContact CD2-CD2 3.73Å; L28-L114 HydrophobicContact CG-CD2 4.32Å; N110-L114 HydrophobicContact CB-CD1 3.89Å; N110-L114 WeakPolarHBondContact O-CB 3.5Å; N110-L114 WeakPolarHBondContact O-CD1 3.34Å; N110-L114 PolarHBondContact O-N 3.13Å
115K48.8Very low51.7Low167 Ų16798.2 Ų98.273%0.72655%0.549SS*.Hα-helixtrans-75.9-32.1163-11876-174.6-57.60111.4K111 E112 E113K111-K115 HydrophobicContact CG-CD 4.48Å; K111-K115 WeakPolarHBondContact O-CB 3.38Å; K111-K115 VanDerWaalsContact O-CD 3.25Å; K111-K115 WeakPolarHBondContact O-CD 3.25Å; K111-K115 PolarHBondContact O-N 2.72Å; E112-K115 VanDerWaalsContact O-CB 3.28Å; E112-K115 WeakPolarHBondContact O-CB 3.45Å; E112-K115 PolarHBondContact O-N 3.2Å; E113-K115 VanDerWaalsContact C-N 3.25Å; E113-K115 PolarHBondContact O-N 3.03Å
116S50.7Low50.2Low99 Ų99101 Ų10169%0.69257%0.568SS**Hα-helixtrans-83.6-31.2-179-55.90000113.5E112 E113E112-S116 PolarHBondContact O-N 2.72Å; E112-S116 PolarHBondContact O-OG 3.16Å; E113-S116 WeakPolarHBondContact O-CA 3.47Å; E113-S116 WeakPolarHBondContact O-CB 3.28Å; E113-S116 PolarHBondContact O-N 3.2Å
117L49.8Very low49.8Very low118 Ų118104.7 Ų104.762%0.61859%0.589SS**THydrogen-bonded Turntrans-105.186.1168.8-86.177000110.1E113 T119E113-L117 PolarHBondContact O-N 2.86Å; L117-T119 PolarHBondContact O-N 3.29Å
118G55.4Low49.9Very low65 Ų65110.4 Ų110.467%0.6761%0.605SS**THydrogen-bonded Turntrans-58.4117.5-174.500000114.4
119T47.7Very low50.3Low98 Ų98106.2 Ų106.260%0.60160%0.601SS**  trans-163.9136.5147.8-9.80000111.6R20 L117R20-T119 PolarHBondContact NH2-OG1 3.2Å; L117-T119 PolarHBondContact O-N 3.29Å
120G47.3Very low51.1Low48 Ų48105 Ų10550%0.49560%0.603SS.*  trans102.429.8137.400000120.5
121A39.8Very low51.8Low81 Ų81109.2 Ų109.267%0.66964%0.635SS**SBendtrans-62152141.900000108.2I123A121-I123 PolarHBondContact O-N 3.23Å; A121-I123 VanDerWaalsContact O-N 3.13Å
122P42.6Very low52.7Low97 Ų97108 Ų10863%0.6364%0.635SS**  trans-54.8127.3173.223.8-33.4000108.6I124P122-I124 PolarHBondContact O-N 3.31Å
123I53Low53.7Low149 Ų149103.8 Ų103.876%0.76462%0.62SS**  trans-68.782.1174.9-5092.2000107.3A121 E125A121-I123 PolarHBondContact O-N 3.23Å; A121-I123 VanDerWaalsContact O-N 3.13Å; I123-E125 VanDerWaalsContact C-N 3.26Å; I123-E125 HydrophobicContact CG2-CB 4.36Å; I123-E125 PolarHBondContact O-N 3.21Å; I123-E125 VanDerWaalsContact O-N 3.16Å
124I50.8Low54.6Low137 Ų137104.3 Ų104.370%0.70363%0.633SS**  trans-57109138.1-62.1155.5000102.8P122 S126P122-I124 PolarHBondContact O-N 3.31Å; I124-S126 PolarHBondContact O-N 2.73Å
125E47.6Very low55.8Low169 Ų169110.4 Ų110.479%0.7966%0.661SS**  trans-68.273.5173.2-170.3175.798.600107.2I123 P127I123-E125 VanDerWaalsContact C-N 3.26Å; I123-E125 HydrophobicContact CG2-CB 4.36Å; I123-E125 PolarHBondContact O-N 3.21Å; I123-E125 VanDerWaalsContact O-N 3.16Å; E125-P127 WeakPolarHBondContact O-CD 3.29Å; E125-P127 VanDerWaalsContact O-N 3.13Å
126S46.1Very low57Low71 Ų71107.3 Ų107.350%0.49765%0.649SS.*  trans-59.9112.6167.3-77.10000105.3I124 F128 G129I124-S126 PolarHBondContact O-N 2.73Å; S126-F128 PolarHBondContact O-N 2.69Å; S126-G129 PolarHBondContact O-N 3.36Å; S126-G129 VanDerWaalsContact O-N 3.16Å
127P58.9Low58.2Low109 Ų109102.9 Ų102.971%0.70862%0.618SS**THydrogen-bonded Turntrans-70.612.7-168.527.9-34.3000113.7E125E125-P127 WeakPolarHBondContact O-CD 3.29Å; E125-P127 VanDerWaalsContact O-N 3.13Å
128F56.5Low59.6Low187 Ų18799.7 Ų99.782%0.8261%0.605SS**THydrogen-bonded Turntrans-117.31.5-176.9-58.3-70.7000113.6S126S126-F128 PolarHBondContact O-N 2.69Å
129G62.1Low60.8Low57 Ų57103.8 Ų103.859%0.58861%0.606SS**  trans78.8-159.117400000115S126S126-G129 PolarHBondContact O-N 3.36Å; S126-G129 VanDerWaalsContact O-N 3.16Å
130D64.9Low62.3Low156 Ų156101.4 Ų101.483%0.83459%0.594SS**SBendtrans-76.4156.2-179-151.9-67.8000112.1V132D130-V132 PolarHBondContact O-N 3.16Å
131S65.8Low64Low114 Ų114100.6 Ų100.680%0.79758%0.578SS**  trans-81.783.9-173.3-59.80000111.6
132V68.6Low65.9Low69 Ų6998.5 Ų98.542%0.41856%0.558SS.*  trans-72.5138.2-179.9690000113.2D130 E136 A137 S140D130-V132 PolarHBondContact O-N 3.16Å; V132-E136 HydrophobicContact CG2-CB 3.9Å; V132-A137 HydrophobicContact CG1-CB 4.03Å; V132-S140 VanDerWaalsContact CG2-OG 3.26Å; V132-S140 WeakPolarHBondContact CG2-OG 3.33Å
133S72.7Confident67.8Low47 Ų47103.6 Ų103.633%0.32957%0.565SS.*  trans-58.7143170.2-45.70000111E135 E136 A137S133-E135 PolarHBondContact O-N 2.75Å; S133-E135 VanDerWaalsContact O-N 3.14Å; S133-E136 WeakPolarHBondContact CB-OE2 3.2Å; S133-E136 PolarHBondContact O-N 3.37Å; S133-E136 PolarHBondContact OG-OE2 3.46Å; S133-A137 PolarHBondContact O-N 2.81Å
134P68.6Low69.1Low118 Ų11899 Ų9977%0.76655%0.549SS*.THydrogen-bonded Turntrans-63.3-24.1-177.126.2-35.1000113.8
135E74.4Confident70.6Confident162 Ų16293 Ų9376%0.75752%0.518SS*.THydrogen-bonded Turntrans-76.8-33.6174.359.4-153.87700113.6S133S133-E135 PolarHBondContact O-N 2.75Å; S133-E135 VanDerWaalsContact O-N 3.14Å
136E74.7Confident72.2Confident103 Ų10387.7 Ų87.748%0.48150%0.504SS..THydrogen-bonded Turntrans-90-17.3179-64.7176.397.300112.9V132 S133 P138 E139 S140V132-E136 HydrophobicContact CG2-CB 3.9Å; S133-E136 WeakPolarHBondContact CB-OE2 3.2Å; S133-E136 PolarHBondContact O-N 3.37Å; S133-E136 PolarHBondContact OG-OE2 3.46Å; E136-P138 VanDerWaalsContact C-CD 3.47Å; E136-E139 PolarHBondContact O-N 3.48Å; E136-S140 PolarHBondContact O-N 3.29Å; E136-S140 PolarHBondContact O-OG 3.12Å
137A75.8Confident74Confident6 Ų688.7 Ų88.75%0.0551%0.511CS..Hα-helixtrans-44-50.2179.900000115.2V132 S133 E139 S140 I141V132-A137 HydrophobicContact CG1-CB 4.03Å; S133-A137 PolarHBondContact O-N 2.81Å; A137-E139 PolarHBondContact O-N 2.86Å; A137-S140 PolarHBondContact O-N 3.36Å; A137-I141 WeakPolarHBondContact O-CB 3.03Å; A137-I141 WeakPolarHBondContact O-CD1 3.27Å; A137-I141 WeakPolarHBondContact O-CG1 3.17Å; A137-I141 PolarHBondContact O-N 2.92Å
138P78.1Confident75Confident51 Ų5186.6 Ų86.633%0.33149%0.493SS..Hα-helixtrans-64.5-38-179.725.3-34.5000112.9E136 S142 Y183E136-P138 VanDerWaalsContact C-CD 3.47Å; P138-S142 VanDerWaalsContact O-CB 3.28Å; P138-S142 WeakPolarHBondContact O-CB 3.25Å; P138-S142 PolarHBondContact O-N 3.44Å; P138-Y183 HydrophobicContact CB-CE1 3.93Å; P138-Y183 WeakPolarHBondContact CB-OH 3.33Å
139E80.6Confident76.4Confident150 Ų15080.7 Ų80.770%0.70147%0.474SS*.Hα-helixtrans-71.6-40.7177.5-67.7-161.878.900111.7E136 A137 S142 R143E136-E139 PolarHBondContact O-N 3.48Å; A137-E139 PolarHBondContact O-N 2.86Å; E139-S142 PolarHBondContact O-N 3.28Å; E139-R143 VanDerWaalsContact O-CB 3.27Å; E139-R143 WeakPolarHBondContact O-CB 3.26Å; E139-R143 PolarHBondContact O-N 3.46Å
140S79.3Confident77.2Confident49 Ų4982.6 Ų82.634%0.34348%0.476SS..Hα-helixtrans-64.1-40.3175.5-600000112.3V132 E136 A137 R143 A144V132-S140 VanDerWaalsContact CG2-OG 3.26Å; V132-S140 WeakPolarHBondContact CG2-OG 3.33Å; E136-S140 PolarHBondContact O-N 3.29Å; E136-S140 PolarHBondContact O-OG 3.12Å; A137-S140 PolarHBondContact O-N 3.36Å; S140-R143 PolarHBondContact O-N 2.86Å; S140-A144 VanDerWaalsContact O-CB 3.25Å; S140-A144 WeakPolarHBondContact O-CB 3.48Å; S140-A144 PolarHBondContact O-N 2.84Å
141I82.8Confident78.3Confident30 Ų3082.3 Ų82.315%0.15447%0.469CS..Hα-helixtrans-66.6-43.8174.2-64.9159.9000110.4A137 R143 A144 V145 Y183 A184A137-I141 WeakPolarHBondContact O-CB 3.03Å; A137-I141 WeakPolarHBondContact O-CD1 3.27Å; A137-I141 WeakPolarHBondContact O-CG1 3.17Å; A137-I141 PolarHBondContact O-N 2.92Å; I141-R143 VanDerWaalsContact C-N 3.34Å; I141-R143 PolarHBondContact O-N 3.32Å; I141-A144 PolarHBondContact O-N 3.25Å; I141-V145 HydrophobicContact CG2-CG2 4.24Å; I141-V145 WeakPolarHBondContact O-CB 3.43Å; I141-V145 VanDerWaalsContact O-CG2 3.31Å; I141-V145 WeakPolarHBondContact O-CG2 3.16Å; I141-V145 PolarHBondContact O-N 2.97Å; I141-Y183 HydrophobicContact CB-CD1 4.17Å; I141-Y183 HydrophobicContact CB-CE1 4.35Å; I141-Y183 HydrophobicContact CD1-CD1 4.03Å; I141-Y183 HydrophobicContact CG2-CD1 3.86Å; I141-Y183 HydrophobicContact CG2-CE1 4.34Å; I141-A184 HydrophobicContact CG2-CB 3.73Å
142S80.9Confident79.2Confident37 Ų3782.2 Ų82.226%0.25946%0.457SS..Hα-helixtrans-59-45.3175.8-175.60000112P138 E139 A146 Q187P138-S142 VanDerWaalsContact O-CB 3.28Å; P138-S142 WeakPolarHBondContact O-CB 3.25Å; P138-S142 PolarHBondContact O-N 3.44Å; E139-S142 PolarHBondContact O-N 3.28Å; S142-A146 WeakPolarHBondContact O-CB 3.46Å; S142-A146 PolarHBondContact O-N 3.19Å; S142-Q187 PolarHBondContact OG-NE2 2.86Å
143R81.7Confident79.8Confident205 Ų20579.6 Ų79.677%0.77444%0.44SS*.Hα-helixtrans-65.2-43.7176.1-173.6176.4-176.7169.90.6112.2E139 S140 I141 A146 S147E139-R143 VanDerWaalsContact O-CB 3.27Å; E139-R143 WeakPolarHBondContact O-CB 3.26Å; E139-R143 PolarHBondContact O-N 3.46Å; S140-R143 PolarHBondContact O-N 2.86Å; I141-R143 VanDerWaalsContact C-N 3.34Å; I141-R143 PolarHBondContact O-N 3.32Å; R143-A146 PolarHBondContact O-N 3.1Å; R143-S147 VanDerWaalsContact O-CB 3.29Å; R143-S147 WeakPolarHBondContact O-CB 3.48Å; R143-S147 PolarHBondContact O-N 3.43Å; R143-S147 PolarHBondContact O-OG 3.04Å
144A80.9Confident80.4Confident53 Ų5383.4 Ų83.444%0.43845%0.451SS..Hα-helixtrans-61.3-51.8176.800000110.7S140 I141 A146 S147 L148S140-A144 VanDerWaalsContact O-CB 3.25Å; S140-A144 WeakPolarHBondContact O-CB 3.48Å; S140-A144 PolarHBondContact O-N 2.84Å; I141-A144 PolarHBondContact O-N 3.25Å; A144-A146 PolarHBondContact O-N 2.94Å; A144-S147 PolarHBondContact O-N 3.29Å; A144-S147 VanDerWaalsContact O-N 3.12Å; A144-S147 PolarHBondContact O-OG 3.04Å; A144-L148 PolarHBondContact O-N 3.03Å
145V82.2Confident81.3Confident9 Ų981.7 Ų81.76%0.05543%0.433CS..Hα-helixtrans-60.2-44.3177.3172.50000111.4I141 S147 L148 M153 A184 Q187 A188I141-V145 HydrophobicContact CG2-CG2 4.24Å; I141-V145 WeakPolarHBondContact O-CB 3.43Å; I141-V145 VanDerWaalsContact O-CG2 3.31Å; I141-V145 WeakPolarHBondContact O-CG2 3.16Å; I141-V145 PolarHBondContact O-N 2.97Å; V145-S147 VanDerWaalsContact C-N 3.26Å; V145-S147 PolarHBondContact O-N 3.49Å; V145-L148 PolarHBondContact O-N 2.71Å; V145-M153 HydrophobicContact CG1-SD 4.28Å; V145-M153 WeakPolarHBondContact O-CE 3.3Å; V145-A184 HydrophobicContact CG2-CB 4.09Å; V145-Q187 HydrophobicContact CB-CG 4.36Å; V145-Q187 HydrophobicContact CG1-CG 4.32Å; V145-A188 HydrophobicContact CG1-CB 3.83Å
146A80.8Confident81.9Confident59 Ų5976.7 Ų76.749%0.48841%0.41SS..Hα-helixtrans-68.6-21.6177.500000113.9S142 R143 A144S142-A146 WeakPolarHBondContact O-CB 3.46Å; S142-A146 PolarHBondContact O-N 3.19Å; R143-A146 PolarHBondContact O-N 3.1Å; A144-A146 PolarHBondContact O-N 2.94Å
147S83.4Confident82.4Confident91 Ų9173 Ų7364%0.63639%0.394SS*.Hα-helixtrans-82.8-15.9175.773.80000114R143 A144 V145R143-S147 VanDerWaalsContact O-CB 3.29Å; R143-S147 WeakPolarHBondContact O-CB 3.48Å; R143-S147 PolarHBondContact O-N 3.43Å; R143-S147 PolarHBondContact O-OG 3.04Å; A144-S147 PolarHBondContact O-N 3.29Å; A144-S147 VanDerWaalsContact O-N 3.12Å; A144-S147 PolarHBondContact O-OG 3.04Å; V145-S147 VanDerWaalsContact C-N 3.26Å; V145-S147 PolarHBondContact O-N 3.49Å
148L80.3Confident82.9Confident66 Ų6677.7 Ų77.735%0.34641%0.413SS..SBendtrans-68.3143.1175.7-67.5173.2000110.4A144 V145 Q152 M153A144-L148 PolarHBondContact O-N 3.03Å; V145-L148 PolarHBondContact O-N 2.71Å; L148-Q152 HydrophobicContact CB-CB 4.45Å; L148-M153 HydrophobicContact CB-CE 4.32Å; L148-M153 HydrophobicContact CB-CG 3.85Å; L148-M153 HydrophobicContact CD1-CG 4.4Å; L148-M153 WeakPolarHBondContact O-CE 3.4Å
149P85.3Confident83.4Confident62 Ų6281 Ų8140%0.40342%0.424SS..  trans-64.3150.7167.929.1-34.2000110E151 Q152 M153P149-E151 PolarHBondContact O-N 3.39Å; P149-E151 VanDerWaalsContact O-N 3.1Å; P149-Q152 HydrophobicContact CG-CB 4.04Å; P149-Q152 HydrophobicContact CG-CG 3.64Å; P149-Q152 PolarHBondContact O-N 3.31Å; P149-M153 PolarHBondContact O-N 3.07Å
150P80.2Confident83.8Confident98 Ų9875.2 Ų75.264%0.63640%0.397SS*.Hα-helixtrans-59.2-28.7-174.823.5-34.2000113.1M153 F154P150-M153 PolarHBondContact O-N 2.67Å; P150-F154 WeakPolarHBondContact O-CB 3.06Å; P150-F154 PolarHBondContact O-N 3.45Å
151E86.7Confident84.2Confident149 Ų14980.3 Ų80.370%0.69641%0.413SS*.Hα-helixtrans-61.8-45.5175.2-61.3176100.300112.1P149 F154 E155P149-E151 PolarHBondContact O-N 3.39Å; P149-E151 VanDerWaalsContact O-N 3.1Å; E151-F154 WeakPolarHBondContact O-CB 3.48Å; E151-F154 PolarHBondContact O-N 3.26Å; E151-E155 PolarHBondContact O-N 3.17Å
152Q84.9Confident84.5Confident113 Ų11382.8 Ų82.853%0.52843%0.426SS..Hα-helixtrans-68-37.8178.4-71.2-67.695.600111.6L148 P149 F154 L156L148-Q152 HydrophobicContact CB-CB 4.45Å; P149-Q152 HydrophobicContact CG-CB 4.04Å; P149-Q152 HydrophobicContact CG-CG 3.64Å; P149-Q152 PolarHBondContact O-N 3.31Å; Q152-F154 VanDerWaalsContact C-N 3.3Å; Q152-F154 PolarHBondContact O-N 3.44Å; Q152-L156 WeakPolarHBondContact O-CB 3.36Å; Q152-L156 PolarHBondContact O-N 3.05Å
153M82.4Confident84.8Confident13 Ų1382.4 Ų82.46%0.06442%0.423CS..Hα-helixtrans-65.3-36173.3-53.6-168.8-143.500111.6V145 L148 P149 P150 L156 M157 V191 M192V145-M153 HydrophobicContact CG1-SD 4.28Å; V145-M153 WeakPolarHBondContact O-CE 3.3Å; L148-M153 HydrophobicContact CB-CE 4.32Å; L148-M153 HydrophobicContact CB-CG 3.85Å; L148-M153 HydrophobicContact CD1-CG 4.4Å; L148-M153 WeakPolarHBondContact O-CE 3.4Å; P149-M153 PolarHBondContact O-N 3.07Å; P150-M153 PolarHBondContact O-N 2.67Å; M153-L156 PolarHBondContact O-N 2.96Å; M153-M157 WeakPolarHBondContact O-CG 3.28Å; M153-M157 PolarHBondContact O-N 2.94Å; M153-V191 HydrophobicContact CE-CG1 4.04Å; M153-V191 HydrophobicContact SD-CG1 4.08Å; M153-M192 HydrophobicContact CB-CE 3.3Å; M153-M192 VanDerWaalsContact O-CE 3.3Å; M153-M192 WeakPolarHBondContact O-CE 3.35Å
154F84.4Confident85.3Confident128 Ų12876 Ų7656%0.56141%0.407SS*.Hα-helixtrans-67.5-45.2177.6-176-94.9000112P150 E151 Q152 L156 M157 K158 M192P150-F154 WeakPolarHBondContact O-CB 3.06Å; P150-F154 PolarHBondContact O-N 3.45Å; E151-F154 WeakPolarHBondContact O-CB 3.48Å; E151-F154 PolarHBondContact O-N 3.26Å; Q152-F154 VanDerWaalsContact C-N 3.3Å; Q152-F154 PolarHBondContact O-N 3.44Å; F154-L156 VanDerWaalsContact C-N 3.31Å; F154-L156 PolarHBondContact O-N 3.41Å; F154-M157 PolarHBondContact O-N 2.9Å; F154-K158 VanDerWaalsContact O-CB 3.31Å; F154-K158 WeakPolarHBondContact O-CB 3.4Å; F154-K158 PolarHBondContact O-N 2.93Å; F154-M192 HydrophobicContact CB-CE 4.46Å
155E87.4Confident85.8Confident82 Ų8280.8 Ų80.838%0.38342%0.42SS..Hα-helixtrans-62.7-37.2174.5-71.9-62.4113.700111.8E151 K158 Q159E151-E155 PolarHBondContact O-N 3.17Å; E155-K158 PolarHBondContact O-N 3.19Å; E155-K158 WeakPolarHBondContact OE1-CD 3.47Å; E155-K158 WeakPolarHBondContact OE1-CE 3.34Å; E155-K158 IonicContact OE1-NZ 2.67Å; E155-K158 PolarHBondContact OE1-NZ 3.04Å; E155-K158 WeakPolarHBondContact OE2-CD 3.19Å; E155-K158 IonicContact OE2-NZ 2.83Å; E155-K158 PolarHBondContact OE2-NZ 2.83Å; E155-Q159 VanDerWaalsContact O-CB 3.32Å; E155-Q159 WeakPolarHBondContact O-CB 3.31Å; E155-Q159 PolarHBondContact O-N 3.14Å
156L86.9Confident86.3Confident56 Ų5685.7 Ų85.729%0.29345%0.446SS..Hα-helixtrans-59.4-46.8171.4176.566.3000112.1Q152 M153 F154 M160 L185Q152-L156 WeakPolarHBondContact O-CB 3.36Å; Q152-L156 PolarHBondContact O-N 3.05Å; M153-L156 PolarHBondContact O-N 2.96Å; F154-L156 VanDerWaalsContact C-N 3.31Å; F154-L156 PolarHBondContact O-N 3.41Å; L156-M160 WeakPolarHBondContact O-CB 3.3Å; L156-M160 PolarHBondContact O-N 3.46Å; L156-L185 HydrophobicContact CD1-CD2 3.96Å; L156-L185 HydrophobicContact CD2-CD2 4.17Å; L156-L185 HydrophobicContact CG-CD2 3.83Å
157M85.6Confident87Confident26 Ų2685 Ų8513%0.12844%0.438CS..Hα-helixtrans-64.4-39.4176.6-73.4-62.9102.400112.9M153 F154 K161 L185 A188 Q189 M192M153-M157 WeakPolarHBondContact O-CG 3.28Å; M153-M157 PolarHBondContact O-N 2.94Å; F154-M157 PolarHBondContact O-N 2.9Å; M157-K161 WeakPolarHBondContact O-CB 3.43Å; M157-K161 PolarHBondContact O-N 2.86Å; M157-L185 HydrophobicContact CE-CB 4Å; M157-L185 HydrophobicContact CE-CD2 3.38Å; M157-L185 HydrophobicContact CE-CG 4.3Å; M157-L185 WeakPolarHBondContact CE-O 3.47Å; M157-A188 HydrophobicContact CE-CB 3.94Å; M157-Q189 HydrophobicContact CE-CG 4.49Å; M157-Q189 HydrophobicContact SD-CG 3.55Å; M157-Q189 VanDerWaalsContact SD-CG 3.55Å; M157-M192 HydrophobicContact CG-CE 3.84Å; M157-M192 HydrophobicContact CG-SD 4.16Å
158K87Confident87.3Confident105 Ų10584.2 Ų84.246%0.45743%0.43SS..Hα-helixtrans-65.8-46.9176.9173.6-165.9174.9-166.40111.4F154 E155 M160 K161 L162F154-K158 VanDerWaalsContact O-CB 3.31Å; F154-K158 WeakPolarHBondContact O-CB 3.4Å; F154-K158 PolarHBondContact O-N 2.93Å; E155-K158 PolarHBondContact O-N 3.19Å; E155-K158 WeakPolarHBondContact OE1-CD 3.47Å; E155-K158 WeakPolarHBondContact OE1-CE 3.34Å; E155-K158 IonicContact OE1-NZ 2.67Å; E155-K158 PolarHBondContact OE1-NZ 3.04Å; E155-K158 WeakPolarHBondContact OE2-CD 3.19Å; E155-K158 IonicContact OE2-NZ 2.83Å; E155-K158 PolarHBondContact OE2-NZ 2.83Å; K158-M160 VanDerWaalsContact C-N 3.33Å; K158-M160 PolarHBondContact O-N 3.43Å; K158-K161 PolarHBondContact O-N 3.34Å; K158-L162 WeakPolarHBondContact O-CB 3.32Å; K158-L162 PolarHBondContact O-N 3.02Å
159Q88.1Confident87.8Confident121 Ų12189.2 Ų89.257%0.56545%0.452SS*.Hα-helixtrans-62.4-41.8177.1-170.762.321.200111.2E155 L162 C163E155-Q159 VanDerWaalsContact O-CB 3.32Å; E155-Q159 WeakPolarHBondContact O-CB 3.31Å; E155-Q159 PolarHBondContact O-N 3.14Å; Q159-L162 PolarHBondContact O-N 3.2Å; Q159-C163 WeakPolarHBondContact O-CB 3.42Å; Q159-C163 PolarHBondContact O-N 2.99Å
160M88.4Confident87.9Confident27 Ų2792.2 Ų92.213%0.13346%0.461CS..Hα-helixtrans-61.9-45.7174.1-175.152.447.600112.2L156 K158 L162 C163 V164 M174 L175 L181 L185L156-M160 WeakPolarHBondContact O-CB 3.3Å; L156-M160 PolarHBondContact O-N 3.46Å; K158-M160 VanDerWaalsContact C-N 3.33Å; K158-M160 PolarHBondContact O-N 3.43Å; M160-L162 VanDerWaalsContact C-N 3.34Å; M160-L162 PolarHBondContact O-N 2.95Å; M160-C163 PolarHBondContact O-N 3.4Å; M160-V164 WeakPolarHBondContact O-CG2 3.31Å; M160-V164 PolarHBondContact O-N 3.11Å; M160-V164 HydrophobicContact SD-CG2 4.47Å; M160-M174 HydrophobicContact CE-CE 3.5Å; M160-M174 HydrophobicContact SD-CE 4.25Å; M160-L175 HydrophobicContact CE-CD1 4.47Å; M160-L175 HydrophobicContact SD-CD1 3.71Å; M160-L181 HydrophobicContact CE-CD2 4.48Å; M160-L185 HydrophobicContact CB-CD2 4.03Å; M160-L185 HydrophobicContact CE-CD1 3.42Å; M160-L185 VanDerWaalsContact CE-CD1 3.42Å; M160-L185 HydrophobicContact CE-CD2 4.03Å; M160-L185 HydrophobicContact CE-CG 4.36Å; M160-L185 HydrophobicContact CG-CD1 4Å; M160-L185 HydrophobicContact CG-CD2 4.03Å; M160-L185 HydrophobicContact SD-CD1 3.88Å
161K87.4Confident88.3Confident157 Ų15787.6 Ų87.668%0.68343%0.431SS*.Hα-helixtrans-61.8-41176.1-176.1176.7-67.4179.80112.1M157 K158 V164 Q165M157-K161 WeakPolarHBondContact O-CB 3.43Å; M157-K161 PolarHBondContact O-N 2.86Å; K158-K161 PolarHBondContact O-N 3.34Å; K161-V164 PolarHBondContact O-N 3.19Å; K161-Q165 WeakPolarHBondContact O-CB 3.37Å; K161-Q165 PolarHBondContact O-N 3.41Å
162L90.5Very high88.3Confident81 Ų8189.6 Ų89.642%0.42443%0.432SS..Hα-helixtrans-65.6-42.1177.5-173.167.8000111.6K158 Q159 M160 Q165 N166K158-L162 WeakPolarHBondContact O-CB 3.32Å; K158-L162 PolarHBondContact O-N 3.02Å; Q159-L162 PolarHBondContact O-N 3.2Å; M160-L162 VanDerWaalsContact C-N 3.34Å; M160-L162 PolarHBondContact O-N 2.95Å; L162-Q165 PolarHBondContact O-N 2.94Å; L162-N166 VanDerWaalsContact CD1-ND2 3.31Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.48Å; L162-N166 PolarHBondContact O-N 3.39Å; L162-N166 PolarHBondContact O-ND2 3.2Å
163C87.1Confident88.4Confident29 Ų2988.2 Ų88.220%0.19643%0.428CS..Hα-helixtrans-59.3-48174.2-179.60000111.4Q159 M160 Q165 N166 S167Q159-C163 WeakPolarHBondContact O-CB 3.42Å; Q159-C163 PolarHBondContact O-N 2.99Å; M160-C163 PolarHBondContact O-N 3.4Å; C163-Q165 VanDerWaalsContact C-N 3.31Å; C163-Q165 PolarHBondContact O-N 2.94Å; C163-N166 PolarHBondContact O-N 3.46Å; C163-S167 CarbonylContact O-C 3.57Å; C163-S167 WeakPolarHBondContact O-CA 3.38Å; C163-S167 PolarHBondContact O-N 3.21Å
164V91.6Very high88.4Confident72 Ų7290.3 Ų90.344%0.43644%0.439SS..Hα-helixtrans-63-35.4176.3173.40000112.4M160 K161 P168 A171M160-V164 WeakPolarHBondContact O-CG2 3.31Å; M160-V164 PolarHBondContact O-N 3.11Å; M160-V164 HydrophobicContact SD-CG2 4.47Å; K161-V164 PolarHBondContact O-N 3.19Å; V164-P168 WeakPolarHBondContact O-CB 3.47Å; V164-A171 HydrophobicContact CB-CB 4.43Å; V164-A171 HydrophobicContact CG2-CB 3.74Å
165Q91.3Very high88.6Confident152 Ų15286.8 Ų86.871%0.7143%0.425SS*.Hα-helixtrans-73.7-37-179.1-177.1170.676.600113.3K161 L162 C163K161-Q165 WeakPolarHBondContact O-CB 3.37Å; K161-Q165 PolarHBondContact O-N 3.41Å; L162-Q165 PolarHBondContact O-N 2.94Å; C163-Q165 VanDerWaalsContact C-N 3.31Å; C163-Q165 PolarHBondContact O-N 2.94Å
166N93.8Very high88.4Confident112 Ų11289.6 Ų89.660%0.59944%0.442SS*.Hα-helixtrans-86.4-44.3179.4-70.9-87.7000112.1L162 C163L162-N166 VanDerWaalsContact CD1-ND2 3.31Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.48Å; L162-N166 PolarHBondContact O-N 3.39Å; L162-N166 PolarHBondContact O-ND2 3.2Å; C163-N166 PolarHBondContact O-N 3.46Å
167S93.7Very high88.4Confident46 Ų4693.2 Ų93.232%0.32246%0.457SS..  trans-132.969.1-170.4-57.70000111.6C163 Q169 E170 A171C163-S167 CarbonylContact O-C 3.57Å; C163-S167 WeakPolarHBondContact O-CA 3.38Å; C163-S167 PolarHBondContact O-N 3.21Å; S167-Q169 VanDerWaalsContact C-N 3.29Å; S167-Q169 PolarHBondContact O-N 3.41Å; S167-E170 WeakPolarHBondContact CB-OE1 3.38Å; S167-E170 PolarHBondContact O-N 3.17Å; S167-A171 WeakPolarHBondContact O-CB 3.48Å; S167-A171 PolarHBondContact O-N 3.45Å
168P90.2Very high88.2Confident73 Ų7395.3 Ų95.347%0.47447%0.469SS..Hα-helixtrans-62.9-29.4-172.923.4-34.3000114.2V164 R172V164-P168 WeakPolarHBondContact O-CB 3.47Å; P168-R172 VanDerWaalsContact O-CG 3.28Å; P168-R172 WeakPolarHBondContact O-CG 3.36Å; P168-R172 PolarHBondContact O-N 3.44Å
169Q90.3Very high88Confident171 Ų17194.5 Ų94.580%0.79948%0.475SS*.Hα-helixtrans-75.1-42.7176.5-65.9-170.9-3.800112S167 R172 N173S167-Q169 VanDerWaalsContact C-N 3.29Å; S167-Q169 PolarHBondContact O-N 3.41Å; Q169-R172 PolarHBondContact O-N 2.88Å; Q169-N173 PolarHBondContact O-N 2.97Å
170E88.1Confident87.8Confident126 Ų12694.1 Ų94.159%0.58947%0.473SS*.Hα-helixtrans-64.7-45.5176.8-173.9173.867.100111.2S167 R172 N173 M174S167-E170 WeakPolarHBondContact CB-OE1 3.38Å; S167-E170 PolarHBondContact O-N 3.17Å; E170-R172 VanDerWaalsContact C-N 3.32Å; E170-R172 PolarHBondContact O-N 3.23Å; E170-N173 PolarHBondContact O-N 3.37Å; E170-N173 VanDerWaalsContact O-N 3.13Å; E170-M174 WeakPolarHBondContact O-CB 3.15Å; E170-M174 PolarHBondContact O-N 2.96Å
171A88.6Confident87.7Confident1 Ų195.3 Ų95.31%0.00848%0.48CS..Hα-helixtrans-55.3-47.117400000111.3V164 S167 N173 M174 L175V164-A171 HydrophobicContact CB-CB 4.43Å; V164-A171 HydrophobicContact CG2-CB 3.74Å; S167-A171 WeakPolarHBondContact O-CB 3.48Å; S167-A171 PolarHBondContact O-N 3.45Å; A171-N173 PolarHBondContact O-N 3.47Å; A171-M174 PolarHBondContact O-N 2.95Å; A171-L175 WeakPolarHBondContact O-CD1 3.31Å; A171-L175 PolarHBondContact O-N 3.37Å
172R86.1Confident87.6Confident190 Ų19089.4 Ų89.472%0.71746%0.46SS*.Hα-helixtrans-60.5-45.7175.8-72.8179.597.4175.18.1111.8P168 Q169 E170 M174 L175 L176P168-R172 VanDerWaalsContact O-CG 3.28Å; P168-R172 WeakPolarHBondContact O-CG 3.36Å; P168-R172 PolarHBondContact O-N 3.44Å; Q169-R172 PolarHBondContact O-N 2.88Å; E170-R172 VanDerWaalsContact C-N 3.32Å; E170-R172 PolarHBondContact O-N 3.23Å; R172-M174 VanDerWaalsContact C-N 3.35Å; R172-M174 PolarHBondContact O-N 3.18Å; R172-L175 PolarHBondContact O-N 2.92Å; R172-L176 WeakPolarHBondContact O-CB 3.49Å; R172-L176 WeakPolarHBondContact O-CD1 3.49Å; R172-L176 PolarHBondContact O-N 3.29Å
173N87.6Confident87.4Confident84 Ų8488.4 Ų88.445%0.44945%0.451SS..Hα-helixtrans-62.4-42.1177.6-172.163.1000111.9Q169 E170 A171 L176 Q177Q169-N173 PolarHBondContact O-N 2.97Å; E170-N173 PolarHBondContact O-N 3.37Å; E170-N173 VanDerWaalsContact O-N 3.13Å; A171-N173 PolarHBondContact O-N 3.47Å; N173-L176 PolarHBondContact O-N 3.46Å; N173-Q177 VanDerWaalsContact ND2-CD 3.28Å; N173-Q177 PolarHBondContact ND2-NE2 3.17Å; N173-Q177 PolarHBondContact ND2-OE1 3.06Å; N173-Q177 WeakPolarHBondContact O-CB 3.39Å; N173-Q177 WeakPolarHBondContact O-CG 3.37Å; N173-Q177 PolarHBondContact O-N 2.94Å
174M83Confident87.3Confident58 Ų5887.9 Ų87.929%0.28645%0.448SS..Hα-helixtrans-61.5-45177.1-174-173.966.600112M160 E170 A171 R172 N178 L181M160-M174 HydrophobicContact CE-CE 3.5Å; M160-M174 HydrophobicContact SD-CE 4.25Å; E170-M174 WeakPolarHBondContact O-CB 3.15Å; E170-M174 PolarHBondContact O-N 2.96Å; A171-M174 PolarHBondContact O-N 2.95Å; R172-M174 VanDerWaalsContact C-N 3.35Å; R172-M174 PolarHBondContact O-N 3.18Å; M174-N178 WeakPolarHBondContact O-CB 3.42Å; M174-N178 PolarHBondContact O-N 3.29Å; M174-N178 PolarHBondContact O-ND2 3.47Å; M174-L181 HydrophobicContact CE-CD2 3.9Å; M174-L181 HydrophobicContact CG-CD2 4.24Å; M174-L181 HydrophobicContact SD-CD2 4.15Å
175L87.5Confident87Confident54 Ų5484.7 Ų84.728%0.28343%0.429SS..Hα-helixtrans-67.1-33.8175.3-84.797.2000113M160 A171 R172 A182 L185M160-L175 HydrophobicContact CE-CD1 4.47Å; M160-L175 HydrophobicContact SD-CD1 3.71Å; A171-L175 WeakPolarHBondContact O-CD1 3.31Å; A171-L175 PolarHBondContact O-N 3.37Å; R172-L175 PolarHBondContact O-N 2.92Å; L175-A182 HydrophobicContact CB-CB 4.47Å; L175-A182 HydrophobicContact CD2-CB 4.08Å; L175-A182 HydrophobicContact CG-CB 4.44Å; L175-L185 HydrophobicContact CD2-CD1 4.3Å
176L84.4Confident86.7Confident140 Ų14078.7 Ų78.773%0.73340%0.402SS*.Hα-helixtrans-72.2-38.5176.4-9671.5000112.3R172 N173R172-L176 WeakPolarHBondContact O-CB 3.49Å; R172-L176 WeakPolarHBondContact O-CD1 3.49Å; R172-L176 PolarHBondContact O-N 3.29Å; N173-L176 PolarHBondContact O-N 3.46Å
177Q85.1Confident86.2Confident132 Ų13275.1 Ų75.162%0.61738%0.382SS*.Hα-helixtrans-76.7-26.5178.7-71.6-176.3-14.800112.9N173 P179N173-Q177 VanDerWaalsContact ND2-CD 3.28Å; N173-Q177 PolarHBondContact ND2-NE2 3.17Å; N173-Q177 PolarHBondContact ND2-OE1 3.06Å; N173-Q177 WeakPolarHBondContact O-CB 3.39Å; N173-Q177 WeakPolarHBondContact O-CG 3.37Å; N173-Q177 PolarHBondContact O-N 2.94Å; Q177-P179 VanDerWaalsContact O-CD 3.31Å; Q177-P179 WeakPolarHBondContact O-CD 3.39Å
178N83.1Confident85.7Confident71 Ų7173 Ų7338%0.3837%0.366SS..  trans-120.176.3-176.2-58.3-85.1000110.9M174 Q180 L181 A182M174-N178 WeakPolarHBondContact O-CB 3.42Å; M174-N178 PolarHBondContact O-N 3.29Å; M174-N178 PolarHBondContact O-ND2 3.47Å; N178-Q180 PolarHBondContact O-N 3.25Å; N178-L181 HydrophobicContact CB-CB 3.91Å; N178-L181 WeakPolarHBondContact O-CB 3.35Å; N178-L181 PolarHBondContact O-N 3.47Å; N178-A182 PolarHBondContact O-N 3.44Å; N178-A182 VanDerWaalsContact O-N 3.17Å
179P82.4Confident85.4Confident88 Ų8872.2 Ų72.257%0.57136%0.357SS*.Hα-helixtrans-61.2-31.1-177.924.3-34.2000112.9Q177 L181 A182 Y183Q177-P179 VanDerWaalsContact O-CD 3.31Å; Q177-P179 WeakPolarHBondContact O-CD 3.39Å; P179-L181 VanDerWaalsContact C-N 3.33Å; P179-L181 PolarHBondContact O-N 3.23Å; P179-A182 PolarHBondContact O-N 2.86Å; P179-Y183 WeakPolarHBondContact O-CB 3.39Å; P179-Y183 PolarHBondContact O-N 3.02Å
180Q84.2Confident85.1Confident112 Ų11265.2 Ų65.252%0.52333%0.325SS..Hα-helixtrans-62.5-39.3175.3-55.5-62.1700112.1N178 Y183 A184N178-Q180 PolarHBondContact O-N 3.25Å; Q180-Y183 PolarHBondContact O-N 3.46Å; Q180-A184 WeakPolarHBondContact O-CB 3.42Å; Q180-A184 PolarHBondContact O-N 2.97Å
181L86Confident84.7Confident53 Ų5362 Ų6228%0.27731%0.314SS..Hα-helixtrans-67.3-45.4175175.461.3000110.6M160 M174 N178 P179 Y183 A184 L185M160-L181 HydrophobicContact CE-CD2 4.48Å; M174-L181 HydrophobicContact CE-CD2 3.9Å; M174-L181 HydrophobicContact CG-CD2 4.24Å; M174-L181 HydrophobicContact SD-CD2 4.15Å; N178-L181 HydrophobicContact CB-CB 3.91Å; N178-L181 WeakPolarHBondContact O-CB 3.35Å; N178-L181 PolarHBondContact O-N 3.47Å; P179-L181 VanDerWaalsContact C-N 3.33Å; P179-L181 PolarHBondContact O-N 3.23Å; L181-Y183 VanDerWaalsContact C-N 3.29Å; L181-Y183 PolarHBondContact O-N 3.35Å; L181-A184 PolarHBondContact O-N 3.34Å; L181-L185 HydrophobicContact CD1-CD1 4Å; L181-L185 HydrophobicContact CD1-CD2 4.45Å; L181-L185 HydrophobicContact CD1-CG 4.05Å; L181-L185 HydrophobicContact CG-CD1 3.87Å; L181-L185 HydrophobicContact CG-CG 4.41Å; L181-L185 WeakPolarHBondContact O-CB 3.39Å; L181-L185 WeakPolarHBondContact O-CD1 3.49Å; L181-L185 WeakPolarHBondContact O-CG 3.31Å; L181-L185 PolarHBondContact O-N 2.92Å
182A85.6Confident84.2Confident32 Ų3264.6 Ų64.626%0.26433%0.327SS..Hα-helixtrans-58.1-41.3176.200000112.3L175 N178 P179 L186L175-A182 HydrophobicContact CB-CB 4.47Å; L175-A182 HydrophobicContact CD2-CB 4.08Å; L175-A182 HydrophobicContact CG-CB 4.44Å; N178-A182 PolarHBondContact O-N 3.44Å; N178-A182 VanDerWaalsContact O-N 3.17Å; P179-A182 PolarHBondContact O-N 2.86Å; A182-L186 PolarHBondContact O-N 2.99Å
183Y84.9Confident83.8Confident61 Ų6165.8 Ų65.824%0.23933%0.331CS..Hα-helixtrans-65.9-47.5175.6-171.2-103.5000112.3P138 I141 P179 Q180 L181 L185 L186 Q187 L204P138-Y183 HydrophobicContact CB-CE1 3.93Å; P138-Y183 WeakPolarHBondContact CB-OH 3.33Å; I141-Y183 HydrophobicContact CB-CD1 4.17Å; I141-Y183 HydrophobicContact CB-CE1 4.35Å; I141-Y183 HydrophobicContact CD1-CD1 4.03Å; I141-Y183 HydrophobicContact CG2-CD1 3.86Å; I141-Y183 HydrophobicContact CG2-CE1 4.34Å; P179-Y183 WeakPolarHBondContact O-CB 3.39Å; P179-Y183 PolarHBondContact O-N 3.02Å; Q180-Y183 PolarHBondContact O-N 3.46Å; L181-Y183 VanDerWaalsContact C-N 3.29Å; L181-Y183 PolarHBondContact O-N 3.35Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; Y183-L185 PolarHBondContact O-N 2.93Å; Y183-L186 PolarHBondContact O-N 2.84Å; Y183-Q187 WeakPolarHBondContact O-CB 3.41Å; Y183-Q187 PolarHBondContact O-N 2.86Å; Y183-L204 HydrophobicContact CD2-CD1 3.89Å; Y183-L204 HydrophobicContact CD2-CD2 3.92Å; Y183-L204 HydrophobicContact CE2-CD1 3.75Å; Y183-L204 HydrophobicContact CE2-CD2 4.43Å
184A85.4Confident83.4Confident17 Ų1767.3 Ų67.314%0.1434%0.338CS..Hα-helixtrans-59.7-40.2177.900000112.8I141 V145 Q180 L181 Q187 A188I141-A184 HydrophobicContact CG2-CB 3.73Å; V145-A184 HydrophobicContact CG2-CB 4.09Å; Q180-A184 WeakPolarHBondContact O-CB 3.42Å; Q180-A184 PolarHBondContact O-N 2.97Å; L181-A184 PolarHBondContact O-N 3.34Å; A184-Q187 PolarHBondContact O-N 3.47Å; A184-A188 WeakPolarHBondContact O-CB 3.46Å; A184-A188 PolarHBondContact O-N 3.39Å
185L86.7Confident83.1Confident6 Ų666.1 Ų66.13%0.03133%0.334CS..Hα-helixtrans-65.2-42.1176.9-67.4163.1000112.2L156 M157 M160 L175 L181 Y183 A188 Q189L156-L185 HydrophobicContact CD1-CD2 3.96Å; L156-L185 HydrophobicContact CD2-CD2 4.17Å; L156-L185 HydrophobicContact CG-CD2 3.83Å; M157-L185 HydrophobicContact CE-CB 4Å; M157-L185 HydrophobicContact CE-CD2 3.38Å; M157-L185 HydrophobicContact CE-CG 4.3Å; M157-L185 WeakPolarHBondContact CE-O 3.47Å; M160-L185 HydrophobicContact CB-CD2 4.03Å; M160-L185 HydrophobicContact CE-CD1 3.42Å; M160-L185 VanDerWaalsContact CE-CD1 3.42Å; M160-L185 HydrophobicContact CE-CD2 4.03Å; M160-L185 HydrophobicContact CE-CG 4.36Å; M160-L185 HydrophobicContact CG-CD1 4Å; M160-L185 HydrophobicContact CG-CD2 4.03Å; M160-L185 HydrophobicContact SD-CD1 3.88Å; L175-L185 HydrophobicContact CD2-CD1 4.3Å; L181-L185 HydrophobicContact CD1-CD1 4Å; L181-L185 HydrophobicContact CD1-CD2 4.45Å; L181-L185 HydrophobicContact CD1-CG 4.05Å; L181-L185 HydrophobicContact CG-CD1 3.87Å; L181-L185 HydrophobicContact CG-CG 4.41Å; L181-L185 WeakPolarHBondContact O-CB 3.39Å; L181-L185 WeakPolarHBondContact O-CD1 3.49Å; L181-L185 WeakPolarHBondContact O-CG 3.31Å; L181-L185 PolarHBondContact O-N 2.92Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; Y183-L185 PolarHBondContact O-N 2.93Å; L185-A188 PolarHBondContact O-N 3Å; L185-Q189 WeakPolarHBondContact O-CG 3.02Å; L185-Q189 PolarHBondContact O-N 3.34Å
186L84.7Confident82.7Confident25 Ų2567.7 Ų67.713%0.13134%0.343CS..Hα-helixtrans-67.2-41.7176.6-178.558.2000111.2A182 Y183 A188 Q189 V190 A200 L204A182-L186 PolarHBondContact O-N 2.99Å; Y183-L186 PolarHBondContact O-N 2.84Å; L186-A188 VanDerWaalsContact C-N 3.34Å; L186-A188 PolarHBondContact O-N 3.26Å; L186-Q189 WeakPolarHBondContact O-CB 3.47Å; L186-Q189 PolarHBondContact O-N 3.44Å; L186-Q189 VanDerWaalsContact O-N 3.17Å; L186-V190 PolarHBondContact O-N 2.92Å; L186-V190 VanDerWaalsContact O-N 3.11Å; L186-A200 HydrophobicContact CD1-CB 3.8Å; L186-A200 HydrophobicContact CD2-CB 4.14Å; L186-A200 HydrophobicContact CG-CB 3.97Å; L186-L204 HydrophobicContact CD2-CD1 3.65Å; L186-L204 HydrophobicContact CD2-CG 3.81Å
187Q82.2Confident81.9Confident38 Ų3863.8 Ų63.818%0.17833%0.326CS..Hα-helixtrans-60.5-42.4175.5-173.358.731.800111.7S142 V145 Y183 A184 Q189 V190 V191S142-Q187 PolarHBondContact OG-NE2 2.86Å; V145-Q187 HydrophobicContact CB-CG 4.36Å; V145-Q187 HydrophobicContact CG1-CG 4.32Å; Y183-Q187 WeakPolarHBondContact O-CB 3.41Å; Y183-Q187 PolarHBondContact O-N 2.86Å; A184-Q187 PolarHBondContact O-N 3.47Å; Q187-Q189 VanDerWaalsContact C-N 3.32Å; Q187-Q189 PolarHBondContact O-N 3.41Å; Q187-V190 PolarHBondContact O-N 3.16Å; Q187-V191 WeakPolarHBondContact O-CG2 3.44Å; Q187-V191 PolarHBondContact O-N 3.37Å
188A83.8Confident81.3Confident0 Ų063.4 Ų63.40%032%0.324CS..Hα-helixtrans-60.6-39.7174.800000112.2V145 M157 A184 L185 L186 V190 V191 M192V145-A188 HydrophobicContact CG1-CB 3.83Å; M157-A188 HydrophobicContact CE-CB 3.94Å; A184-A188 WeakPolarHBondContact O-CB 3.46Å; A184-A188 PolarHBondContact O-N 3.39Å; L185-A188 PolarHBondContact O-N 3Å; L186-A188 VanDerWaalsContact C-N 3.34Å; L186-A188 PolarHBondContact O-N 3.26Å; A188-V190 VanDerWaalsContact C-N 3.34Å; A188-V190 PolarHBondContact O-N 3.05Å; A188-V191 PolarHBondContact O-N 3.35Å; A188-M192 WeakPolarHBondContact O-CB 3.19Å; A188-M192 VanDerWaalsContact O-CG 3.3Å; A188-M192 WeakPolarHBondContact O-CG 3.46Å; A188-M192 PolarHBondContact O-N 3.25Å
189Q83.5Confident80.8Confident58 Ų5864.7 Ų64.727%0.27133%0.33SS..Hα-helixtrans-65.7-34.3176.5-68.5169.717.900113.1M157 L185 L186 Q187 R193 I194 V195M157-Q189 HydrophobicContact CE-CG 4.49Å; M157-Q189 HydrophobicContact SD-CG 3.55Å; M157-Q189 VanDerWaalsContact SD-CG 3.55Å; L185-Q189 WeakPolarHBondContact O-CG 3.02Å; L185-Q189 PolarHBondContact O-N 3.34Å; L186-Q189 WeakPolarHBondContact O-CB 3.47Å; L186-Q189 PolarHBondContact O-N 3.44Å; L186-Q189 VanDerWaalsContact O-N 3.17Å; Q187-Q189 VanDerWaalsContact C-N 3.32Å; Q187-Q189 PolarHBondContact O-N 3.41Å; Q189-R193 PolarHBondContact O-N 3.4Å; Q189-I194 PolarHBondContact O-N 3.48Å; Q189-V195 HydrophobicContact CB-CB 4.17Å; Q189-V195 HydrophobicContact CB-CG2 3.89Å; Q189-V195 PolarHBondContact O-N 3.1Å
190V83.4Confident80Confident24 Ų2460.8 Ų60.815%0.14531%0.305CS..Hα-helixtrans-71.4-44.7174.6175.10000111.2L186 Q187 A188 M192 R193 P197 A200L186-V190 PolarHBondContact O-N 2.92Å; L186-V190 VanDerWaalsContact O-N 3.11Å; Q187-V190 PolarHBondContact O-N 3.16Å; A188-V190 VanDerWaalsContact C-N 3.34Å; A188-V190 PolarHBondContact O-N 3.05Å; V190-M192 VanDerWaalsContact C-N 3.31Å; V190-M192 PolarHBondContact O-N 3.27Å; V190-R193 PolarHBondContact O-N 2.95Å; V190-P197 HydrophobicContact CG1-CB 3.96Å; V190-A200 HydrophobicContact CG2-CB 3.57Å
191V80.6Confident79.1Confident58 Ų5860.3 Ų60.335%0.35231%0.305SS..Hα-helixtrans-60.6-40.3176.2172.30000111.2M153 Q187 A188 R193M153-V191 HydrophobicContact CE-CG1 4.04Å; M153-V191 HydrophobicContact SD-CG1 4.08Å; Q187-V191 WeakPolarHBondContact O-CG2 3.44Å; Q187-V191 PolarHBondContact O-N 3.37Å; A188-V191 PolarHBondContact O-N 3.35Å; V191-R193 PolarHBondContact O-N 2.96Å
192M78.4Confident78.2Confident56 Ų5664.5 Ų64.528%0.27632%0.321SS..THydrogen-bonded Turntrans-72.2-2.1173.8-70.6-172.5-170.500115.1M153 F154 M157 A188 V190 I194M153-M192 HydrophobicContact CB-CE 3.3Å; M153-M192 VanDerWaalsContact O-CE 3.3Å; M153-M192 WeakPolarHBondContact O-CE 3.35Å; F154-M192 HydrophobicContact CB-CE 4.46Å; M157-M192 HydrophobicContact CG-CE 3.84Å; M157-M192 HydrophobicContact CG-SD 4.16Å; A188-M192 WeakPolarHBondContact O-CB 3.19Å; A188-M192 VanDerWaalsContact O-CG 3.3Å; A188-M192 WeakPolarHBondContact O-CG 3.46Å; A188-M192 PolarHBondContact O-N 3.25Å; V190-M192 VanDerWaalsContact C-N 3.31Å; V190-M192 PolarHBondContact O-N 3.27Å; M192-I194 HydrophobicContact CB-CD1 3.72Å; M192-I194 HydrophobicContact CB-CG1 3.8Å; M192-I194 HydrophobicContact CG-CD1 4.33Å; M192-I194 PolarHBondContact O-N 3.3Å; M192-I194 HydrophobicContact SD-CD1 3.54Å; M192-I194 VanDerWaalsContact SD-CD1 3.54Å
193R78.2Confident77.1Confident214 Ų21469.4 Ų69.481%0.80834%0.34SS*.THydrogen-bonded Turntrans57.124.9-173.3-58-64.6-171.5133.1-1114.5Q189 V190 V191Q189-R193 PolarHBondContact O-N 3.4Å; V190-R193 PolarHBondContact O-N 2.95Å; V191-R193 PolarHBondContact O-N 2.96Å
194I78.8Confident76Confident117 Ų11770.4 Ų70.460%0.635%0.35SS*.SBendtrans-80.7-34.1174.1-61.9170.1000110.2Q189 M192Q189-I194 PolarHBondContact O-N 3.48Å; M192-I194 HydrophobicContact CB-CD1 3.72Å; M192-I194 HydrophobicContact CB-CG1 3.8Å; M192-I194 HydrophobicContact CG-CD1 4.33Å; M192-I194 PolarHBondContact O-N 3.3Å; M192-I194 HydrophobicContact SD-CD1 3.54Å; M192-I194 VanDerWaalsContact SD-CD1 3.54Å
195V75.9Confident74.6Confident32 Ų3276.3 Ų76.319%0.19437%0.374CS..SBendtrans-123.8135.7177.9177.30000109.2Q189 I199 A200Q189-V195 HydrophobicContact CB-CB 4.17Å; Q189-V195 HydrophobicContact CB-CG2 3.89Å; Q189-V195 PolarHBondContact O-N 3.1Å; V195-I199 HydrophobicContact CG1-CB 4.4Å; V195-I199 HydrophobicContact CG1-CG2 4.47Å; V195-A200 HydrophobicContact CG1-CB 4.18Å
196D79.6Confident72.9Confident87 Ų8786.3 Ų86.347%0.46541%0.411SS..  trans-73.1134.7177.8-157.2-80.5000110.8E198 I199 A200D196-E198 PolarHBondContact O-N 3.47Å; D196-E198 VanDerWaalsContact O-N 3.16Å; D196-E198 PolarHBondContact OD1-N 3.35Å; D196-I199 HydrophobicContact CB-CB 4.46Å; D196-I199 HydrophobicContact CB-CD1 3.86Å; D196-I199 HydrophobicContact CB-CG1 4.06Å; D196-I199 WeakPolarHBondContact O-CB 3.48Å; D196-I199 PolarHBondContact O-N 2.86Å; D196-A200 PolarHBondContact O-N 3.21Å
197P68.4Low70.6Confident59 Ų5994.2 Ų94.238%0.38345%0.448SS..Hα-helixtrans-56.2-33.9-175.820.8-34.2000113.5V190 I199 A200 L201V190-P197 HydrophobicContact CG1-CB 3.96Å; P197-I199 VanDerWaalsContact C-N 3.31Å; P197-I199 PolarHBondContact O-N 2.91Å; P197-A200 PolarHBondContact O-N 3.21Å; P197-L201 WeakPolarHBondContact O-CD1 3.26Å; P197-L201 PolarHBondContact O-N 3.2Å; P197-L201 VanDerWaalsContact O-N 3.1Å
198E71.1Confident68.9Low124 Ų12498 Ų9858%0.57947%0.474SS*.Hα-helixtrans-66.2-31.8175.9-82.9-150.563.800113.5D196 K202D196-E198 PolarHBondContact O-N 3.47Å; D196-E198 VanDerWaalsContact O-N 3.16Å; D196-E198 PolarHBondContact OD1-N 3.35Å; E198-K202 VanDerWaalsContact O-CD 3.26Å; E198-K202 WeakPolarHBondContact O-CD 3.46Å; E198-K202 WeakPolarHBondContact O-CG 3.32Å; E198-K202 PolarHBondContact O-N 2.81Å; E198-K202 IonicContact OE1-NZ 2.91Å; E198-K202 PolarHBondContact OE1-NZ 3.13Å
199I73.5Confident66.6Low98 Ų98102.9 Ų102.950%0.50351%0.514SS..Hα-helixtrans-76.9-42.1178-60.2174.6000109V195 D196 P197 L201 K202 M203V195-I199 HydrophobicContact CG1-CB 4.4Å; V195-I199 HydrophobicContact CG1-CG2 4.47Å; D196-I199 HydrophobicContact CB-CB 4.46Å; D196-I199 HydrophobicContact CB-CD1 3.86Å; D196-I199 HydrophobicContact CB-CG1 4.06Å; D196-I199 WeakPolarHBondContact O-CB 3.48Å; D196-I199 PolarHBondContact O-N 2.86Å; P197-I199 VanDerWaalsContact C-N 3.31Å; P197-I199 PolarHBondContact O-N 2.91Å; I199-L201 PolarHBondContact O-N 2.99Å; I199-K202 PolarHBondContact O-N 3.22Å; I199-K202 VanDerWaalsContact O-N 3.14Å; I199-M203 HydrophobicContact CG2-SD 4.46Å; I199-M203 WeakPolarHBondContact O-CG 3.28Å; I199-M203 PolarHBondContact O-N 2.91Å; I199-M203 VanDerWaalsContact O-N 3.16Å
200A66Low64.8Low5 Ų5106.3 Ų106.34%0.04154%0.538CS..Hα-helixtrans-57-47.4176.500000112.5L186 V190 V195 D196 P197 K202 M203 L204L186-A200 HydrophobicContact CD1-CB 3.8Å; L186-A200 HydrophobicContact CD2-CB 4.14Å; L186-A200 HydrophobicContact CG-CB 3.97Å; V190-A200 HydrophobicContact CG2-CB 3.57Å; V195-A200 HydrophobicContact CG1-CB 4.18Å; D196-A200 PolarHBondContact O-N 3.21Å; P197-A200 PolarHBondContact O-N 3.21Å; A200-K202 VanDerWaalsContact C-N 3.31Å; A200-K202 PolarHBondContact O-N 3.16Å; A200-M203 PolarHBondContact O-N 3.14Å; A200-M203 VanDerWaalsContact O-N 3.15Å; A200-L204 PolarHBondContact O-N 3.28Å
201L65.5Low62.3Low102 Ų102114.1 Ų114.153%0.53457%0.573SS.*Hα-helixtrans-59.8-39.4175.8-97.274.9000112.3P197 I199 M203 L204 H205P197-L201 WeakPolarHBondContact O-CD1 3.26Å; P197-L201 PolarHBondContact O-N 3.2Å; P197-L201 VanDerWaalsContact O-N 3.1Å; I199-L201 PolarHBondContact O-N 2.99Å; L201-M203 VanDerWaalsContact C-N 3.25Å; L201-M203 PolarHBondContact O-N 3.45Å; L201-L204 PolarHBondContact O-N 3.22Å; L201-H205 PolarHBondContact O-N 3.45Å; L201-H205 PolarHBondContact O-ND1 3.49Å
202K65.1Low60.5Low141 Ų141116.6 Ų116.661%0.61359%0.59SS**Hα-helixtrans-68.5-23.1179.6-71.2163.6-169.7147.70112.7E198 I199 A200E198-K202 VanDerWaalsContact O-CD 3.26Å; E198-K202 WeakPolarHBondContact O-CD 3.46Å; E198-K202 WeakPolarHBondContact O-CG 3.32Å; E198-K202 PolarHBondContact O-N 2.81Å; E198-K202 IonicContact OE1-NZ 2.91Å; E198-K202 PolarHBondContact OE1-NZ 3.13Å; I199-K202 PolarHBondContact O-N 3.22Å; I199-K202 VanDerWaalsContact O-N 3.14Å; A200-K202 VanDerWaalsContact C-N 3.31Å; A200-K202 PolarHBondContact O-N 3.16Å
203M62.5Low58.9Low135 Ų135122.1 Ų122.167%0.66562%0.62SS**Hα-helixtrans-80.7-32.3173.9-63.3-177.683.900112.9I199 A200 L201I199-M203 HydrophobicContact CG2-SD 4.46Å; I199-M203 WeakPolarHBondContact O-CG 3.28Å; I199-M203 PolarHBondContact O-N 2.91Å; I199-M203 VanDerWaalsContact O-N 3.16Å; A200-M203 PolarHBondContact O-N 3.14Å; A200-M203 VanDerWaalsContact O-N 3.15Å; L201-M203 VanDerWaalsContact C-N 3.25Å; L201-M203 PolarHBondContact O-N 3.45Å
204L63.7Low57.3Low83 Ų83118 Ų11844%0.43562%0.619SS.*Hα-helixtrans-71.4-36.8178.4-90.8156.8000114.2Y183 L186 A200 L201 R206Y183-L204 HydrophobicContact CD2-CD1 3.89Å; Y183-L204 HydrophobicContact CD2-CD2 3.92Å; Y183-L204 HydrophobicContact CE2-CD1 3.75Å; Y183-L204 HydrophobicContact CE2-CD2 4.43Å; L186-L204 HydrophobicContact CD2-CD1 3.65Å; L186-L204 HydrophobicContact CD2-CG 3.81Å; A200-L204 PolarHBondContact O-N 3.28Å; L201-L204 PolarHBondContact O-N 3.22Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 3.35Å
205H54.9Low55.1Low141 Ų141117.7 Ų117.765%0.65363%0.627SS**THydrogen-bonded Turntrans-85.78.5-171.3-66.495.6000115.2L201 Q207L201-H205 PolarHBondContact O-N 3.45Å; L201-H205 PolarHBondContact O-ND1 3.49Å; H205-Q207 PolarHBondContact O-N 3.15Å
206R50.1Low53.5Low215 Ų215122.4 Ų122.481%0.81166%0.661SS**SBendtrans-7794170.9-176.8177.1-74.5-126.20.4109.3L204 T208L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 3.35Å; R206-T208 PolarHBondContact O-N 3.36Å
207Q37.3Very low51.6Low191 Ų191123.1 Ų123.189%0.89367%0.673SS**  trans-46.6108179.7-68.1177.3-15.700112.5H205H205-Q207 PolarHBondContact O-N 3.15Å
208T46.2Very low50.1Low119 Ų119130.1 Ų130.173%0.7370%0.701SS**  trans-94.9109.2158-65.50000106.8R206 V210R206-T208 PolarHBondContact O-N 3.36Å; T208-V210 PolarHBondContact O-N 2.77Å
209A35.9Very low48.3Very low101 Ų101128 Ų12884%0.83571%0.712SS**  trans-70.3102179.100000110.5
210V46.3Very low46.4Very low130 Ų130127.6 Ų127.679%0.78873%0.732SS**PPolyproline II helixtrans-85117.7166.9-88.80000109.3T208T208-V210 PolarHBondContact O-N 2.77Å
211Q30.3Very low44.8Very low189 Ų189130.9 Ų130.988%0.88377%0.766SS**PPolyproline II helixtrans-72.3125.7168.7-76.1-174.572.200109.1
212P42.7Very low43.5Very low109 Ų109130.6 Ų130.671%0.70878%0.778SS**PPolyproline II helixtrans-70135.517628.3-33.1000110.7V214P212-V214 PolarHBondContact O-N 3.31Å
213L44.2Very low42.6Very low172 Ų172129.5 Ų129.590%0.90179%0.786SS**  trans-79.2100.1-179.6-160.2153.4000108.8
214V44.5Very low41.9Very low128 Ų128129 Ų12978%0.77679%0.793SS**  trans-79.3133.4-172.9-680000113.2P212P212-V214 PolarHBondContact O-N 3.31Å
215S33.9Very low41Very low111 Ų111131.6 Ų131.678%0.77681%0.812SS**  trans-71.5143.3179.8-46.10000112.6S217S215-S217 PolarHBondContact O-N 3.33Å
216S42.4Very low40.6Very low130 Ų130132.3 Ų132.391%0.90982%0.82SS**  trans-86.395.5179.340.10000112.5
217S38.1Very low40.6Very low102 Ų102127.8 Ų127.871%0.71382%0.819SS**  trans-145.495.1169.362.30000114.2S215S215-S217 PolarHBondContact O-N 3.33Å
218Q37.9Very low40.9Very low207 Ų207124.8 Ų124.897%0.96782%0.816SS**  trans51.6110.6136-152.1178.511500119.6
219G32.4Very low40.7Very low79 Ų79125.2 Ų125.281%0.81482%0.818SS**  trans167.2117.4165.800000111.3
220G35Very low40.9Very low89 Ų89129.1 Ų129.192%0.91882%0.819SS**  trans-87.1159.7-175.300000114
221G32.1Very low40.9Very low75 Ų75128.9 Ų128.977%0.77382%0.82SS**  trans154101.5168.600000115
222A37.8Very low41.3Very low95 Ų95126.2 Ų126.279%0.78581%0.812SS**  trans50.4120.5156.400000120.6
223P47Very low41Very low119 Ų119127.3 Ų127.377%0.77382%0.816SS**PPolyproline II helixtrans-74.8143.2161.732.5-32.9000111.2
224P47.8Very low40.7Very low124 Ų124127.4 Ų127.481%0.80581%0.812SS**PPolyproline II helixtrans-71.1129.917228.5-32.8000111.2
225V44.8Very low40.3Very low138 Ų138127.7 Ų127.784%0.83681%0.814SS**PPolyproline II helixtrans-73.2132.2175-75.30000111.3
226N45.4Very low40.3Very low156 Ų156127.9 Ų127.983%0.83482%0.815SS**  trans-127.3129168.5-96.8-27.7000110.3
227P50Low39.9Very low119 Ų119129.8 Ų129.877%0.77381%0.81SS**  trans-73.5172.1-178.6-18.233.2000115.3
228P44.4Very low40.1Very low128 Ų128130.4 Ų130.483%0.83181%0.811SS**  trans-89.4179.7-161.436.7-37.7000116.6
229V42Very low40.1Very low128 Ų128127.9 Ų127.978%0.77680%0.8SS**  trans-92.5142.6-163.9-84.20000117.3
230Q39.2Very low40.6Very low183 Ų183130.4 Ų130.486%0.85580%0.801SS**  trans69.7163.9143.3-75.9-171.9-20.800119.8
231P46.5Very low40.9Very low126 Ų126131.6 Ų131.682%0.81879%0.791SS**  cis-136-166.919.441.5-20.4000118.5
232N40.1Very low41.8Very low132 Ų132133.1 Ų133.171%0.70679%0.787SS**  trans-96.9153.4-162.9150.897.5000116.8
233V36.3Very low41.8Very low133 Ų133134.5 Ų134.581%0.80679%0.785SS**  trans-163.4106.7150.8-96.20000116.2
234Q36.1Very low41.7Very low174 Ų174135.6 Ų135.681%0.81378%0.782SS**  44.4160.6123-135.2166.3-33.900126.1
235V36.1Very low41.6Very low133 Ų133137.5 Ų137.581%0.80678%0.78SS**  trans103.8138.6170.4174.90000115
236S34.6Very low41.4Very low115 Ų115136.5 Ų136.580%0.80477%0.774SS**  cis-165.2-168.5-16.4-940000113.6
237Q33.9Very low41.1Very low170 Ų170136.8 Ų136.879%0.79478%0.775SS**  trans-89.8179.9-177.5-114.8-166.268.200115.2
238P41.9Very low40.4Very low115 Ų115134.4 Ų134.475%0.74777%0.772SS**  cis-141.5-178.430.640.3-18.1000119.4
239Q39.1Very low40.2Very low155 Ų155133 Ų13372%0.72477%0.772SS**  trans-96172.7175.6-59.3179.7-33.900113.6
240P42.7Very low40.6Very low131 Ų131132.8 Ų132.885%0.85177%0.773SS**  -146.9173.193.636-17.1000117.5
241V41.5Very low40.6Very low115 Ų115133 Ų13370%0.69777%0.774SS**  trans-108.1-164.9-179.3-66.50000110.6
242P51.1Low40.5Very low107 Ų107135.7 Ų135.770%0.69578%0.778SS**  cis-147.7-164.22.242.3-19.7000119.3
243V37.8Very low40.7Very low123 Ų123138.2 Ų138.275%0.74579%0.787SS**  trans89.6141.1147.5143.30000118.9
244M44.1Very low41Very low143 Ų143139.9 Ų139.970%0.70479%0.786SS**  cis-155.6153.2-6.8-109.1-166.4-155.500113.8
245H46.6Very low41.9Very low164 Ų164137.1 Ų137.176%0.75978%0.784SS**  trans47156.8138.5-61.2173.9000123.6
246V41.1Very low42Very low117 Ų117134.7 Ų134.771%0.70978%0.777SS**  cis-162.1149.334.867.50000116.3
247N37.8Very low42.2Very low162 Ų162135.7 Ų135.787%0.86677%0.773SS**  trans40.1149.7156.6-66-8.5000125.2
248G34.8Very low42.4Very low68 Ų68136.2 Ų136.270%0.70178%0.778SS**  cis166.2166.3-9.400000118
249A41.4Very low42.1Very low100 Ų100133.6 Ų133.683%0.82677%0.772SS**  trans71.1154.8158.700000122.1
250P50.5Low42.2Very low123 Ų123133.4 Ų133.480%0.79978%0.781SS**  cis-136.7171.1-30.436.4-17.4000117.8
251Q39.9Very low42.1Very low187 Ų187133.5 Ų133.587%0.87478%0.779SS**  trans-42.3152.7-179.5-61.6170.2-49.300121.7
252M43Very low42.6Very low183 Ų183133.5 Ų133.590%0.90178%0.781SS**  175.9155.4105.860.5178.216600110.6
253M44.8Very low41.9Very low184 Ų184135.8 Ų135.891%0.90679%0.788SS**  cis-148.3-167.6-6.5-149.4169.1179.100109.8
254Q42.9Very low42.2Very low168 Ų168137.7 Ų137.779%0.78579%0.79SS**  trans-151.3161.8-178.8-167.214866.500112.4
255P54.1Low42.4Very low117 Ų117136.3 Ų136.376%0.7679%0.792SS**  -133.1139.1117.423.8-6.1000111.6
256A39.1Very low42.7Very low81 Ų81134.9 Ų134.967%0.66980%0.795SS**  66.6131.665.900000112.4
257N39.1Very low43Very low136 Ų136135.2 Ų135.273%0.72780%0.799SS**  cis-160.5165.911.7-151.7-37.3000111.9
258M37.3Very low43.1Very low181 Ų181130.7 Ų130.789%0.89279%0.791SS**  trans52.3130.8159.5-83.5160.4176.500120.5
259G35.6Very low44.4Very low60 Ų60132.8 Ų132.862%0.61979%0.792SS**  cis168.9-167.5-2.100000114.2
260V40.5Very low44.8Very low152 Ų152134.3 Ų134.392%0.92179%0.791SS**  trans76.5146.4175.4-34.80000118.8
261V41.8Very low44.9Very low133 Ų133134.2 Ų134.281%0.80679%0.79SS**  trans-134.9-177.5-164-71.50000108.1
262P52.3Low44.8Very low114 Ų114128.9 Ų128.974%0.7479%0.786SS**  cis-132-170.3-42.530.8-10000112.6
263N34.7Very low45.1Very low155 Ų155126.6 Ų126.683%0.82979%0.785SS**  trans97139.8141-151.228000120.8
264M46Very low44.7Very low163 Ų163121 Ų12180%0.80377%0.774SS**  trans-67.3177.7175.4-119.4104121.700112.7
265P47Very low45.1Very low114 Ų114119.4 Ų119.474%0.7478%0.779SS**  cis-142.9179.326.939-16.9000118.4
266V52.6Low44.3Very low134 Ų134117.4 Ų117.481%0.81278%0.779SS**  trans-81.7151.3159.5-66.20000110.7
267P48.9Very low44.6Very low124 Ų124123.2 Ų123.281%0.80579%0.792SS**  -150.3171.999.137.4-19.2000115.4
268G39.1Very low44.8Very low67 Ų67124.8 Ų124.869%0.69180%0.799SS**  trans-90.9-155.3163.600000112.1
269P61.2Low45Very low113 Ų113119.5 Ų119.573%0.73479%0.791SS**  cis-138.5-160.6-5.428.5-1.8000114.3
270V51.5Low46.2Very low131 Ų131122.6 Ų122.679%0.79480%0.8SS**  trans81.4169.7158-44.60000120.1
271P50.8Low46.9Very low121 Ų121121.7 Ų121.779%0.78680%0.797SS**  -142.3157.1-92.942-21.5000119.9
272G38.8Very low46.8Very low76 Ų76118.8 Ų118.878%0.78480%0.795SS**  trans71.9177.3157.200000118.3
273P48.3Very low46.7Very low135 Ų135119.7 Ų119.788%0.87780%0.801SS**  cis-119.6-176.6-9.139.8-24.4000114.3
274G38Very low47.3Very low67 Ų67116.3 Ų116.369%0.69180%0.802SS**  trans-75.5-171.8173.700000114.6
275P50.9Low47Very low134 Ų134112.4 Ų112.487%0.8780%0.804SS**  -149.3157.650.639.9-19.9000119.6
276G37.3Very low47.3Very low75 Ų75114.7 Ų114.777%0.77381%0.808SS**  trans59.2121.5131.100000124.3
277Q45.8Very low47.5Very low202 Ų202113.6 Ų113.694%0.94480%0.803SS**  -152.1159.9129.9-146.3170.1104.700111.6
278I42Very low47.7Very low169 Ų169114 Ų11487%0.86781%0.806SS**  trans-136.1130.5-157.4-60164.1000112.6
279G41.7Very low47.9Very low71 Ų71120.7 Ų120.773%0.73281%0.811SS**  trans79.9176.1155.100000118.4
280P60.3Low47.1Very low125 Ų125119 Ų11981%0.81281%0.813SS**  cis-124.9171.8-13.939.1-24000114.3
281P56Low46.7Very low132 Ų132118.3 Ų118.386%0.85781%0.805SS**  trans-93158.2-177.236.3-35.1000115.1
282G39.9Very low46.3Very low73 Ų73120.7 Ų120.775%0.75381%0.81SS**  trans-126.1164.5175.700000114
283P50.7Low46.5Very low133 Ų133121 Ų12186%0.86481%0.813SS**  trans-116.3156.3-148.939.8-31000117.3
284G46.1Very low46.3Very low83 Ų83122.6 Ų122.686%0.85681%0.814SS**  trans73.195.8141.200000119.3
285G39.5Very low46.4Very low81 Ų81122.5 Ų122.584%0.83581%0.813SS**  trans-128.6109.1169.700000112.5
286I53.9Low46.7Very low163 Ų163121.9 Ų121.984%0.83681%0.809SS**PPolyproline II helixtrans-79.5139-177.3-24.3174.1000110.3
287P56.5Low47.2Very low110 Ų110125.7 Ų125.771%0.71481%0.812SS**PPolyproline II helixtrans-70.9139.3170.928.8-34.7000111.3R289P287-R289 PolarHBondContact O-N 3.06Å
288P53.3Low47.6Very low132 Ų132122.8 Ų122.886%0.85780%0.803SS**PPolyproline II helixtrans-71.6125.7-176.527.2-33.3000112.2G290P288-G290 PolarHBondContact O-N 3.05Å
289R44.4Very low48.4Very low209 Ų209119.2 Ų119.279%0.78979%0.79SS**  trans-76.8113.7173.9-171.2169.787132.7-0.4109.5P287 L291P287-R289 PolarHBondContact O-N 3.06Å; R289-L291 VanDerWaalsContact NH2-CD1 3.25Å; R289-L291 PolarHBondContact O-N 3.01Å
290G43Very low48.7Very low77 Ų77127.1 Ų127.179%0.79480%0.798SS**  trans-59127.9173.500000111.4P288P288-G290 PolarHBondContact O-N 3.05Å
291L43.1Very low47.6Very low116 Ų116125.3 Ų125.361%0.60780%0.802SS**  trans-161.8144.5176.7-119168.4000110.7R289R289-L291 VanDerWaalsContact NH2-CD1 3.25Å; R289-L291 PolarHBondContact O-N 3.01Å
292L43.1Very low46.8Very low171 Ų171122.3 Ų122.390%0.89580%0.795SS**  trans68.6119.6173.2-108.974.2000117.2
293G42Very low46.9Very low82 Ų82124.8 Ų124.885%0.84580%0.796SS**  trans174.639176.600000112.7
294D45.4Very low46.5Very low169 Ų169126.3 Ų126.390%0.90480%0.796SS**  trans-75.2144.7174.6-158.2-70000109.9
295G40.1Very low46.4Very low65 Ų65129.7 Ų129.767%0.6779%0.794SS**  trans136.3113.4171.800000116.2
296P56.9Low46.5Very low122 Ų122131.2 Ų131.279%0.79279%0.791SS**  trans-89.9157174.535.4-33.6000113.3
297N47.2Very low46Very low154 Ų154129.5 Ų129.582%0.82479%0.789SS**  trans79.1101.3164.5-150.3-46.2000117.8
298D54.3Low45.5Very low141 Ų141130.5 Ų130.575%0.75479%0.793SS**  trans-150.8143.8133.8-167.5-108.4000110.2
299P58.7Low45Very low94 Ų94127.8 Ų127.861%0.6179%0.788SS**  trans-112.6125.3-167.836.5-24.6000114.1
300R47.7Very low45.2Very low238 Ų238127.4 Ų127.490%0.89880%0.796SS**  trans-158.597170.3-121.9166.8169.91073.3116.8
301G38.7Very low45.2Very low86 Ų86130.2 Ų130.289%0.88780%0.797SS**  trans76133158.300000116.7
302G38.3Very low45.5Very low70 Ų70131.9 Ų131.972%0.72281%0.805SS**  cis169.1157.3-3.500000111.3
303T42.7Very low45.9Very low125 Ų125130.9 Ų130.977%0.76780%0.801SS**  trans75.580.4169.6-410000117.1L305T303-L305 HydrophobicContact CG2-CD1 3.41Å; T303-L305 VanDerWaalsContact CG2-CD1 3.41Å
304L41.8Very low46.9Very low164 Ų164132.7 Ų132.786%0.85980%0.797SS**  trans-69.1124.8138.7-98157.2000108.1
305L43.7Very low46.9Very low154 Ų154137.4 Ų137.481%0.80681%0.81SS**  trans-98.9108.9160.1-121.877.7000108.1T303T303-L305 HydrophobicContact CG2-CD1 3.41Å; T303-L305 VanDerWaalsContact CG2-CD1 3.41Å
306S41Very low47.3Very low113 Ų113141.1 Ų141.179%0.7982%0.817SS**  trans-70.8133.6-179.4-47.70000111.3
307V44.9Very low46.8Very low128 Ų128142.1 Ų142.178%0.77682%0.818SS**  trans-98.8153.315670.30000108.4
308T45.6Very low46.8Very low131 Ų131141.4 Ų141.480%0.80482%0.818SS**SBendtrans64.9105.7-178.667.90000117.6
309G42.1Very low46.3Very low74 Ų74141.4 Ų141.476%0.76382%0.822SS**  92.299.1107.800000118.9
310E48.3Very low45.5Very low201 Ų201144.4 Ų144.494%0.93984%0.835SS**  trans60.3110.3141.6-158.4157.6101.200119.4
311V44Very low45.4Very low136 Ų136138.1 Ų138.182%0.82483%0.831SS**  trans-142.8128.5155.173.50000112.2
312I49.6Very low45.9Very low151 Ų151141.9 Ų141.977%0.77483%0.827SS**  trans-43.9146.7169.744.5174.9000116.5
313D51.1Low46.5Very low151 Ų151147.4 Ų147.481%0.80784%0.835SS**  trans-84.3136.9170.4-178.5-90.7000111.5
314P61.9Low46.8Very low119 Ų119149.3 Ų149.377%0.77384%0.84SS**  trans-115.5128.7165.935.2-24.1000113.2
315K47.3Very low47.2Very low269 Ų269147.9 Ų147.9100%1.1784%0.839SS**  trans-122.40153.4-179.8173.9179.1176.50110.2

Retrieved 315 of 315 residues in 67.5 ms (Link to these results)